----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:44:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.946385320051000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.085299449999999 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): *1 Ag 0.45242485161780 0.25000000000000 0.08625720970949 107.868 2 Ag 0.54757514838220 0.75000000000000 0.91374279029051 107.868 *3 Bi 0.69240816072176 0.75000000000000 0.43338745243282 208.980 4 Bi 0.30759183927824 0.25000000000000 0.56661254756718 208.980 *5 Bi 0.97181423087694 0.25000000000000 0.16048191640388 208.980 6 Bi 0.02818576912306 0.75000000000000 0.83951808359612 208.980 *7 Se 0.70150201481277 0.75000000000000 0.16431823970439 78.960 *8 Se 0.54815716374802 0.75000000000000 0.65506484171955 78.960 *9 Se 0.19411864450447 0.75000000000000 0.08868704941356 78.960 10 Se 0.80588135549553 0.25000000000000 0.91131295058644 78.960 11 Se 0.29849798518723 0.25000000000000 0.83568176029561 78.960 12 Se 0.45184283625198 0.25000000000000 0.34493515828045 78.960 *13 Cl 0.09254151165877 0.75000000000000 0.40172566476933 35.453 14 Cl 0.90745848834123 0.25000000000000 0.59827433523067 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.946385320051000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.085299449999999 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): *1 Ag 0.45242485161780 0.25000000000000 0.08625720970949 107.868 > 1 2 Ag 0.54757514838220 0.75000000000000 0.91374279029051 107.868 > 2 *3 Bi 0.69240816072176 0.75000000000000 0.43338745243282 208.980 > 3 4 Bi 0.30759183927824 0.25000000000000 0.56661254756718 208.980 > 4 *5 Bi 0.97181423087694 0.25000000000000 0.16048191640388 208.980 > 5 6 Bi 0.02818576912306 0.75000000000000 0.83951808359612 208.980 > 6 *7 Se 0.70150201481277 0.75000000000000 0.16431823970439 78.960 > 7 *8 Se 0.54815716374802 0.75000000000000 0.65506484171955 78.960 > 8 *9 Se 0.19411864450447 0.75000000000000 0.08868704941356 78.960 > 9 10 Se 0.80588135549553 0.25000000000000 0.91131295058644 78.960 > 10 11 Se 0.29849798518723 0.25000000000000 0.83568176029561 78.960 > 11 12 Se 0.45184283625198 0.25000000000000 0.34493515828045 78.960 > 12 *13 Cl 0.09254151165877 0.75000000000000 0.40172566476933 35.453 > 13 14 Cl 0.90745848834123 0.25000000000000 0.59827433523067 35.453 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.892770640102000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.255898349999997 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): *1 Ag 0.22621242580890 0.08333333333333 0.08625720970949 107.868 > 1 2 Ag 0.72621242580890 0.08333333333333 0.08625720970949 107.868 > 1 3 Ag 0.22621242580890 0.41666666666667 0.08625720970949 107.868 > 1 4 Ag 0.72621242580890 0.41666666666667 0.08625720970949 107.868 > 1 5 Ag 0.22621242580890 0.75000000000000 0.08625720970949 107.868 > 1 6 Ag 0.72621242580890 0.75000000000000 0.08625720970949 107.868 > 1 7 Ag 0.27378757419110 0.25000000000000 0.91374279029051 107.868 > 2 8 Ag 0.77378757419110 0.25000000000000 0.91374279029051 107.868 > 2 9 Ag 0.27378757419110 0.58333333333333 0.91374279029051 107.868 > 2 10 Ag 0.77378757419110 0.58333333333333 0.91374279029051 107.868 > 2 11 Ag 0.27378757419110 0.91666666666667 0.91374279029051 107.868 > 2 12 Ag 0.77378757419110 0.91666666666667 0.91374279029051 107.868 > 2 *13 Bi 0.34620408036088 0.25000000000000 0.43338745243282 208.980 > 3 14 Bi 0.84620408036088 0.25000000000000 0.43338745243282 208.980 > 3 15 Bi 0.34620408036088 0.58333333333333 0.43338745243282 208.980 > 3 16 Bi 0.84620408036088 0.58333333333333 0.43338745243282 208.980 > 3 17 Bi 0.34620408036088 0.91666666666667 0.43338745243282 208.980 > 3 18 Bi 0.84620408036088 0.91666666666667 0.43338745243282 208.980 > 3 19 Bi 0.15379591963912 0.08333333333333 0.56661254756718 208.980 > 4 20 Bi 0.65379591963912 0.08333333333333 0.56661254756718 208.980 > 4 21 Bi 0.15379591963912 0.41666666666667 0.56661254756718 208.980 > 4 22 Bi 0.65379591963912 0.41666666666667 0.56661254756718 208.980 > 4 23 Bi 0.15379591963912 0.75000000000000 0.56661254756718 208.980 > 4 24 Bi 0.65379591963912 0.75000000000000 0.56661254756718 208.980 > 4 *25 Bi 0.48590711543847 0.08333333333333 0.16048191640388 208.980 > 5 26 Bi 0.98590711543847 0.08333333333333 0.16048191640388 208.980 > 5 27 Bi 0.48590711543847 0.41666666666667 0.16048191640388 208.980 > 5 28 Bi 0.98590711543847 0.41666666666667 0.16048191640388 208.980 > 5 29 Bi 0.48590711543847 0.75000000000000 0.16048191640388 208.980 > 5 30 Bi 0.98590711543847 0.75000000000000 0.16048191640388 208.980 > 5 31 Bi 0.01409288456153 0.25000000000000 0.83951808359612 208.980 > 6 32 Bi 0.51409288456153 0.25000000000000 0.83951808359612 208.980 > 6 33 Bi 0.01409288456153 0.58333333333333 0.83951808359612 208.980 > 6 34 Bi 0.51409288456153 0.58333333333333 0.83951808359612 208.980 > 6 35 Bi 0.01409288456153 0.91666666666667 0.83951808359612 208.980 > 6 36 Bi 0.51409288456153 0.91666666666667 0.83951808359612 208.980 > 6 *37 Se 0.35075100740638 0.25000000000000 0.16431823970439 78.960 > 7 38 Se 0.85075100740638 0.25000000000000 0.16431823970439 78.960 > 7 39 Se 0.35075100740638 0.58333333333333 0.16431823970439 78.960 > 7 40 Se 0.85075100740638 0.58333333333333 0.16431823970439 78.960 > 7 41 Se 0.35075100740638 0.91666666666667 0.16431823970439 78.960 > 7 42 Se 0.85075100740638 0.91666666666667 0.16431823970439 78.960 > 7 *43 Se 0.27407858187401 0.25000000000000 0.65506484171955 78.960 > 8 44 Se 0.77407858187401 0.25000000000000 0.65506484171955 78.960 > 8 45 Se 0.27407858187401 0.58333333333333 0.65506484171955 78.960 > 8 46 Se 0.77407858187401 0.58333333333333 0.65506484171955 78.960 > 8 47 Se 0.27407858187401 0.91666666666667 0.65506484171955 78.960 > 8 48 Se 0.77407858187401 0.91666666666667 0.65506484171955 78.960 > 8 *49 Se 0.09705932225223 0.25000000000000 0.08868704941356 78.960 > 9 50 Se 0.59705932225223 0.25000000000000 0.08868704941356 78.960 > 9 51 Se 0.09705932225223 0.58333333333333 0.08868704941356 78.960 > 9 52 Se 0.59705932225223 0.58333333333333 0.08868704941356 78.960 > 9 53 Se 0.09705932225223 0.91666666666667 0.08868704941356 78.960 > 9 54 Se 0.59705932225223 0.91666666666667 0.08868704941356 78.960 > 9 55 Se 0.40294067774777 0.08333333333333 0.91131295058644 78.960 > 10 56 Se 0.90294067774777 0.08333333333333 0.91131295058644 78.960 > 10 57 Se 0.40294067774777 0.41666666666667 0.91131295058644 78.960 > 10 58 Se 0.90294067774777 0.41666666666667 0.91131295058644 78.960 > 10 59 Se 0.40294067774777 0.75000000000000 0.91131295058644 78.960 > 10 60 Se 0.90294067774777 0.75000000000000 0.91131295058644 78.960 > 10 61 Se 0.14924899259362 0.08333333333333 0.83568176029561 78.960 > 11 62 Se 0.64924899259362 0.08333333333333 0.83568176029561 78.960 > 11 63 Se 0.14924899259362 0.41666666666667 0.83568176029561 78.960 > 11 64 Se 0.64924899259362 0.41666666666667 0.83568176029561 78.960 > 11 65 Se 0.14924899259362 0.75000000000000 0.83568176029561 78.960 > 11 66 Se 0.64924899259362 0.75000000000000 0.83568176029561 78.960 > 11 67 Se 0.22592141812599 0.08333333333333 0.34493515828045 78.960 > 12 68 Se 0.72592141812599 0.08333333333333 0.34493515828045 78.960 > 12 69 Se 0.22592141812599 0.41666666666667 0.34493515828045 78.960 > 12 70 Se 0.72592141812599 0.41666666666667 0.34493515828045 78.960 > 12 71 Se 0.22592141812599 0.75000000000000 0.34493515828045 78.960 > 12 72 Se 0.72592141812599 0.75000000000000 0.34493515828045 78.960 > 12 *73 Cl 0.04627075582938 0.25000000000000 0.40172566476933 35.453 > 13 74 Cl 0.54627075582938 0.25000000000000 0.40172566476933 35.453 > 13 75 Cl 0.04627075582938 0.58333333333333 0.40172566476933 35.453 > 13 76 Cl 0.54627075582938 0.58333333333333 0.40172566476933 35.453 > 13 77 Cl 0.04627075582938 0.91666666666667 0.40172566476933 35.453 > 13 78 Cl 0.54627075582938 0.91666666666667 0.40172566476933 35.453 > 13 79 Cl 0.45372924417062 0.08333333333333 0.59827433523067 35.453 > 14 80 Cl 0.95372924417062 0.08333333333333 0.59827433523067 35.453 > 14 81 Cl 0.45372924417062 0.41666666666667 0.59827433523067 35.453 > 14 82 Cl 0.95372924417062 0.41666666666667 0.59827433523067 35.453 > 14 83 Cl 0.45372924417062 0.75000000000000 0.59827433523067 35.453 > 14 84 Cl 0.95372924417062 0.75000000000000 0.59827433523067 35.453 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.0725102 0.0000000 -4.5042356 0.0000000 21.6560504 0.0000000 -4.5042328 0.0000000 17.1508564 -------------------------- Born effective charges -------------------------- 1 Ag 2.3818465 0.0000000 0.0464724 0.0000000 2.2513583 0.0000000 0.0521760 0.0000000 1.9721037 2 Ag 2.3818465 0.0000000 0.0464724 0.0000000 2.2513583 0.0000000 0.0521760 0.0000000 1.9721037 3 Bi 4.4819009 0.0000000 -2.0470478 0.0000000 4.5359714 0.0000000 -1.3625796 0.0000000 6.1069261 4 Bi 4.4819009 0.0000000 -2.0470478 0.0000000 4.5359714 0.0000000 -1.3625796 0.0000000 6.1069261 5 Bi 5.1628441 0.0000000 -0.7441466 0.0000000 7.6353143 0.0000000 -1.4927463 0.0000000 3.2133358 6 Bi 5.1628441 0.0000000 -0.7441466 0.0000000 7.6353143 0.0000000 -1.4927463 0.0000000 3.2133358 7 Se -3.8924874 0.0000000 1.6458291 0.0000000 -4.8616272 0.0000000 1.7509816 0.0000000 -3.4064712 8 Se -2.5490688 0.0000000 1.1740988 0.0000000 -2.6484497 0.0000000 1.1300306 0.0000000 -2.8089261 9 Se -3.2762389 0.0000000 0.9036331 0.0000000 -4.2796302 0.0000000 0.7481698 0.0000000 -2.3327006 10 Se -3.2762389 0.0000000 0.9036331 0.0000000 -4.2796302 0.0000000 0.7481698 0.0000000 -2.3327006 11 Se -3.8924874 0.0000000 1.6458291 0.0000000 -4.8616272 0.0000000 1.7509816 0.0000000 -3.4064712 12 Se -2.5490688 0.0000000 1.1740988 0.0000000 -2.6484497 0.0000000 1.1300306 0.0000000 -2.8089261 13 Cl -2.3087965 0.0000000 -0.9788390 0.0000000 -2.6329370 0.0000000 -0.8260322 0.0000000 -2.7442677 14 Cl -2.3087965 0.0000000 -0.9788390 0.0000000 -2.6329370 0.0000000 -0.8260322 0.0000000 -2.7442677 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1422), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 379), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.428 Solver_block: 200 / 480 - Time: 1.432 Solver_block: 300 / 480 - Time: 1.431 Solver_block: 400 / 480 - Time: 1.431 Solver_block: 480 / 480 - Time: 1.178 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.931 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 5586/5586 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1422), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 379), 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 18:45:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:45:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.946385320051000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.085299449999999 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): 1 Ag 0.45242485161780 0.25000000000000 0.08625720970949 107.868 2 Ag 0.54757514838220 0.75000000000000 0.91374279029051 107.868 3 Bi 0.69240816072176 0.75000000000000 0.43338745243282 208.980 4 Bi 0.30759183927824 0.25000000000000 0.56661254756718 208.980 5 Bi 0.97181423087694 0.25000000000000 0.16048191640388 208.980 6 Bi 0.02818576912306 0.75000000000000 0.83951808359612 208.980 7 Se 0.70150201481277 0.75000000000000 0.16431823970439 78.960 8 Se 0.54815716374802 0.75000000000000 0.65506484171955 78.960 9 Se 0.19411864450447 0.75000000000000 0.08868704941356 78.960 10 Se 0.80588135549553 0.25000000000000 0.91131295058644 78.960 11 Se 0.29849798518723 0.25000000000000 0.83568176029561 78.960 12 Se 0.45184283625198 0.25000000000000 0.34493515828045 78.960 13 Cl 0.09254151165877 0.75000000000000 0.40172566476933 35.453 14 Cl 0.90745848834123 0.25000000000000 0.59827433523067 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.892770640102000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.255898349999997 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): 1 Ag 0.22621242580890 0.08333333333333 0.08625720970949 107.868 > 1 2 Ag 0.72621242580890 0.08333333333333 0.08625720970949 107.868 > 1 3 Ag 0.22621242580890 0.41666666666667 0.08625720970949 107.868 > 1 4 Ag 0.72621242580890 0.41666666666667 0.08625720970949 107.868 > 1 5 Ag 0.22621242580890 0.75000000000000 0.08625720970949 107.868 > 1 6 Ag 0.72621242580890 0.75000000000000 0.08625720970949 107.868 > 1 7 Ag 0.27378757419110 0.25000000000000 0.91374279029051 107.868 > 7 8 Ag 0.77378757419110 0.25000000000000 0.91374279029051 107.868 > 7 9 Ag 0.27378757419110 0.58333333333333 0.91374279029051 107.868 > 7 10 Ag 0.77378757419110 0.58333333333333 0.91374279029051 107.868 > 7 11 Ag 0.27378757419110 0.91666666666667 0.91374279029051 107.868 > 7 12 Ag 0.77378757419110 0.91666666666667 0.91374279029051 107.868 > 7 13 Bi 0.34620408036088 0.25000000000000 0.43338745243282 208.980 > 13 14 Bi 0.84620408036088 0.25000000000000 0.43338745243282 208.980 > 13 15 Bi 0.34620408036088 0.58333333333333 0.43338745243282 208.980 > 13 16 Bi 0.84620408036088 0.58333333333333 0.43338745243282 208.980 > 13 17 Bi 0.34620408036088 0.91666666666667 0.43338745243282 208.980 > 13 18 Bi 0.84620408036088 0.91666666666667 0.43338745243282 208.980 > 13 19 Bi 0.15379591963912 0.08333333333333 0.56661254756718 208.980 > 19 20 Bi 0.65379591963912 0.08333333333333 0.56661254756718 208.980 > 19 21 Bi 0.15379591963912 0.41666666666667 0.56661254756718 208.980 > 19 22 Bi 0.65379591963912 0.41666666666667 0.56661254756718 208.980 > 19 23 Bi 0.15379591963912 0.75000000000000 0.56661254756718 208.980 > 19 24 Bi 0.65379591963912 0.75000000000000 0.56661254756718 208.980 > 19 25 Bi 0.48590711543847 0.08333333333333 0.16048191640388 208.980 > 25 26 Bi 0.98590711543847 0.08333333333333 0.16048191640388 208.980 > 25 27 Bi 0.48590711543847 0.41666666666667 0.16048191640388 208.980 > 25 28 Bi 0.98590711543847 0.41666666666667 0.16048191640388 208.980 > 25 29 Bi 0.48590711543847 0.75000000000000 0.16048191640388 208.980 > 25 30 Bi 0.98590711543847 0.75000000000000 0.16048191640388 208.980 > 25 31 Bi 0.01409288456153 0.25000000000000 0.83951808359612 208.980 > 31 32 Bi 0.51409288456153 0.25000000000000 0.83951808359612 208.980 > 31 33 Bi 0.01409288456153 0.58333333333333 0.83951808359612 208.980 > 31 34 Bi 0.51409288456153 0.58333333333333 0.83951808359612 208.980 > 31 35 Bi 0.01409288456153 0.91666666666667 0.83951808359612 208.980 > 31 36 Bi 0.51409288456153 0.91666666666667 0.83951808359612 208.980 > 31 37 Se 0.35075100740638 0.25000000000000 0.16431823970439 78.960 > 37 38 Se 0.85075100740638 0.25000000000000 0.16431823970439 78.960 > 37 39 Se 0.35075100740638 0.58333333333333 0.16431823970439 78.960 > 37 40 Se 0.85075100740638 0.58333333333333 0.16431823970439 78.960 > 37 41 Se 0.35075100740638 0.91666666666667 0.16431823970439 78.960 > 37 42 Se 0.85075100740638 0.91666666666667 0.16431823970439 78.960 > 37 43 Se 0.27407858187401 0.25000000000000 0.65506484171955 78.960 > 43 44 Se 0.77407858187401 0.25000000000000 0.65506484171955 78.960 > 43 45 Se 0.27407858187401 0.58333333333333 0.65506484171955 78.960 > 43 46 Se 0.77407858187401 0.58333333333333 0.65506484171955 78.960 > 43 47 Se 0.27407858187401 0.91666666666667 0.65506484171955 78.960 > 43 48 Se 0.77407858187401 0.91666666666667 0.65506484171955 78.960 > 43 49 Se 0.09705932225223 0.25000000000000 0.08868704941356 78.960 > 49 50 Se 0.59705932225223 0.25000000000000 0.08868704941356 78.960 > 49 51 Se 0.09705932225223 0.58333333333333 0.08868704941356 78.960 > 49 52 Se 0.59705932225223 0.58333333333333 0.08868704941356 78.960 > 49 53 Se 0.09705932225223 0.91666666666667 0.08868704941356 78.960 > 49 54 Se 0.59705932225223 0.91666666666667 0.08868704941356 78.960 > 49 55 Se 0.40294067774777 0.08333333333333 0.91131295058644 78.960 > 55 56 Se 0.90294067774777 0.08333333333333 0.91131295058644 78.960 > 55 57 Se 0.40294067774777 0.41666666666667 0.91131295058644 78.960 > 55 58 Se 0.90294067774777 0.41666666666667 0.91131295058644 78.960 > 55 59 Se 0.40294067774777 0.75000000000000 0.91131295058644 78.960 > 55 60 Se 0.90294067774777 0.75000000000000 0.91131295058644 78.960 > 55 61 Se 0.14924899259362 0.08333333333333 0.83568176029561 78.960 > 61 62 Se 0.64924899259362 0.08333333333333 0.83568176029561 78.960 > 61 63 Se 0.14924899259362 0.41666666666667 0.83568176029561 78.960 > 61 64 Se 0.64924899259362 0.41666666666667 0.83568176029561 78.960 > 61 65 Se 0.14924899259362 0.75000000000000 0.83568176029561 78.960 > 61 66 Se 0.64924899259362 0.75000000000000 0.83568176029561 78.960 > 61 67 Se 0.22592141812599 0.08333333333333 0.34493515828045 78.960 > 67 68 Se 0.72592141812599 0.08333333333333 0.34493515828045 78.960 > 67 69 Se 0.22592141812599 0.41666666666667 0.34493515828045 78.960 > 67 70 Se 0.72592141812599 0.41666666666667 0.34493515828045 78.960 > 67 71 Se 0.22592141812599 0.75000000000000 0.34493515828045 78.960 > 67 72 Se 0.72592141812599 0.75000000000000 0.34493515828045 78.960 > 67 73 Cl 0.04627075582938 0.25000000000000 0.40172566476933 35.453 > 73 74 Cl 0.54627075582938 0.25000000000000 0.40172566476933 35.453 > 73 75 Cl 0.04627075582938 0.58333333333333 0.40172566476933 35.453 > 73 76 Cl 0.54627075582938 0.58333333333333 0.40172566476933 35.453 > 73 77 Cl 0.04627075582938 0.91666666666667 0.40172566476933 35.453 > 73 78 Cl 0.54627075582938 0.91666666666667 0.40172566476933 35.453 > 73 79 Cl 0.45372924417062 0.08333333333333 0.59827433523067 35.453 > 79 80 Cl 0.95372924417062 0.08333333333333 0.59827433523067 35.453 > 79 81 Cl 0.45372924417062 0.41666666666667 0.59827433523067 35.453 > 79 82 Cl 0.95372924417062 0.41666666666667 0.59827433523067 35.453 > 79 83 Cl 0.45372924417062 0.75000000000000 0.59827433523067 35.453 > 79 84 Cl 0.95372924417062 0.75000000000000 0.59827433523067 35.453 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.0725102 0.0000000 -4.5042356 0.0000000 21.6560504 0.0000000 -4.5042328 0.0000000 17.1508564 -------------------------- Born effective charges -------------------------- 1 Ag 2.3818465 0.0000000 0.0464724 0.0000000 2.2513583 0.0000000 0.0521760 0.0000000 1.9721037 2 Ag 2.3818465 0.0000000 0.0464724 0.0000000 2.2513583 0.0000000 0.0521760 0.0000000 1.9721037 3 Bi 4.4819009 0.0000000 -2.0470478 0.0000000 4.5359714 0.0000000 -1.3625796 0.0000000 6.1069261 4 Bi 4.4819009 0.0000000 -2.0470478 0.0000000 4.5359714 0.0000000 -1.3625796 0.0000000 6.1069261 5 Bi 5.1628441 0.0000000 -0.7441466 0.0000000 7.6353143 0.0000000 -1.4927463 0.0000000 3.2133358 6 Bi 5.1628441 0.0000000 -0.7441466 0.0000000 7.6353143 0.0000000 -1.4927463 0.0000000 3.2133358 7 Se -3.8924874 0.0000000 1.6458291 0.0000000 -4.8616272 0.0000000 1.7509816 0.0000000 -3.4064712 8 Se -2.5490688 0.0000000 1.1740988 0.0000000 -2.6484497 0.0000000 1.1300306 0.0000000 -2.8089261 9 Se -3.2762389 0.0000000 0.9036331 0.0000000 -4.2796302 0.0000000 0.7481698 0.0000000 -2.3327006 10 Se -3.2762389 0.0000000 0.9036331 0.0000000 -4.2796302 0.0000000 0.7481698 0.0000000 -2.3327006 11 Se -3.8924874 0.0000000 1.6458291 0.0000000 -4.8616272 0.0000000 1.7509816 0.0000000 -3.4064712 12 Se -2.5490688 0.0000000 1.1740988 0.0000000 -2.6484497 0.0000000 1.1300306 0.0000000 -2.8089261 13 Cl -2.3087965 0.0000000 -0.9788390 0.0000000 -2.6329370 0.0000000 -0.8260322 0.0000000 -2.7442677 14 Cl -2.3087965 0.0000000 -0.9788390 0.0000000 -2.6329370 0.0000000 -0.8260322 0.0000000 -2.7442677 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:45:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:45:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.946385320051000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.085299449999999 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): 1 Ag 0.45242485161780 0.25000000000000 0.08625720970949 107.868 2 Ag 0.54757514838220 0.75000000000000 0.91374279029051 107.868 3 Bi 0.69240816072176 0.75000000000000 0.43338745243282 208.980 4 Bi 0.30759183927824 0.25000000000000 0.56661254756718 208.980 5 Bi 0.97181423087694 0.25000000000000 0.16048191640388 208.980 6 Bi 0.02818576912306 0.75000000000000 0.83951808359612 208.980 7 Se 0.70150201481277 0.75000000000000 0.16431823970439 78.960 8 Se 0.54815716374802 0.75000000000000 0.65506484171955 78.960 9 Se 0.19411864450447 0.75000000000000 0.08868704941356 78.960 10 Se 0.80588135549553 0.25000000000000 0.91131295058644 78.960 11 Se 0.29849798518723 0.25000000000000 0.83568176029561 78.960 12 Se 0.45184283625198 0.25000000000000 0.34493515828045 78.960 13 Cl 0.09254151165877 0.75000000000000 0.40172566476933 35.453 14 Cl 0.90745848834123 0.25000000000000 0.59827433523067 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.892770640102000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.255898349999997 0.000000000000000 c -2.763502132911287 0.000000000000000 10.672524811036364 Atomic positions (fractional): 1 Ag 0.22621242580890 0.08333333333333 0.08625720970949 107.868 > 1 2 Ag 0.72621242580890 0.08333333333333 0.08625720970949 107.868 > 1 3 Ag 0.22621242580890 0.41666666666667 0.08625720970949 107.868 > 1 4 Ag 0.72621242580890 0.41666666666667 0.08625720970949 107.868 > 1 5 Ag 0.22621242580890 0.75000000000000 0.08625720970949 107.868 > 1 6 Ag 0.72621242580890 0.75000000000000 0.08625720970949 107.868 > 1 7 Ag 0.27378757419110 0.25000000000000 0.91374279029051 107.868 > 7 8 Ag 0.77378757419110 0.25000000000000 0.91374279029051 107.868 > 7 9 Ag 0.27378757419110 0.58333333333333 0.91374279029051 107.868 > 7 10 Ag 0.77378757419110 0.58333333333333 0.91374279029051 107.868 > 7 11 Ag 0.27378757419110 0.91666666666667 0.91374279029051 107.868 > 7 12 Ag 0.77378757419110 0.91666666666667 0.91374279029051 107.868 > 7 13 Bi 0.34620408036088 0.25000000000000 0.43338745243282 208.980 > 13 14 Bi 0.84620408036088 0.25000000000000 0.43338745243282 208.980 > 13 15 Bi 0.34620408036088 0.58333333333333 0.43338745243282 208.980 > 13 16 Bi 0.84620408036088 0.58333333333333 0.43338745243282 208.980 > 13 17 Bi 0.34620408036088 0.91666666666667 0.43338745243282 208.980 > 13 18 Bi 0.84620408036088 0.91666666666667 0.43338745243282 208.980 > 13 19 Bi 0.15379591963912 0.08333333333333 0.56661254756718 208.980 > 19 20 Bi 0.65379591963912 0.08333333333333 0.56661254756718 208.980 > 19 21 Bi 0.15379591963912 0.41666666666667 0.56661254756718 208.980 > 19 22 Bi 0.65379591963912 0.41666666666667 0.56661254756718 208.980 > 19 23 Bi 0.15379591963912 0.75000000000000 0.56661254756718 208.980 > 19 24 Bi 0.65379591963912 0.75000000000000 0.56661254756718 208.980 > 19 25 Bi 0.48590711543847 0.08333333333333 0.16048191640388 208.980 > 25 26 Bi 0.98590711543847 0.08333333333333 0.16048191640388 208.980 > 25 27 Bi 0.48590711543847 0.41666666666667 0.16048191640388 208.980 > 25 28 Bi 0.98590711543847 0.41666666666667 0.16048191640388 208.980 > 25 29 Bi 0.48590711543847 0.75000000000000 0.16048191640388 208.980 > 25 30 Bi 0.98590711543847 0.75000000000000 0.16048191640388 208.980 > 25 31 Bi 0.01409288456153 0.25000000000000 0.83951808359612 208.980 > 31 32 Bi 0.51409288456153 0.25000000000000 0.83951808359612 208.980 > 31 33 Bi 0.01409288456153 0.58333333333333 0.83951808359612 208.980 > 31 34 Bi 0.51409288456153 0.58333333333333 0.83951808359612 208.980 > 31 35 Bi 0.01409288456153 0.91666666666667 0.83951808359612 208.980 > 31 36 Bi 0.51409288456153 0.91666666666667 0.83951808359612 208.980 > 31 37 Se 0.35075100740638 0.25000000000000 0.16431823970439 78.960 > 37 38 Se 0.85075100740638 0.25000000000000 0.16431823970439 78.960 > 37 39 Se 0.35075100740638 0.58333333333333 0.16431823970439 78.960 > 37 40 Se 0.85075100740638 0.58333333333333 0.16431823970439 78.960 > 37 41 Se 0.35075100740638 0.91666666666667 0.16431823970439 78.960 > 37 42 Se 0.85075100740638 0.91666666666667 0.16431823970439 78.960 > 37 43 Se 0.27407858187401 0.25000000000000 0.65506484171955 78.960 > 43 44 Se 0.77407858187401 0.25000000000000 0.65506484171955 78.960 > 43 45 Se 0.27407858187401 0.58333333333333 0.65506484171955 78.960 > 43 46 Se 0.77407858187401 0.58333333333333 0.65506484171955 78.960 > 43 47 Se 0.27407858187401 0.91666666666667 0.65506484171955 78.960 > 43 48 Se 0.77407858187401 0.91666666666667 0.65506484171955 78.960 > 43 49 Se 0.09705932225223 0.25000000000000 0.08868704941356 78.960 > 49 50 Se 0.59705932225223 0.25000000000000 0.08868704941356 78.960 > 49 51 Se 0.09705932225223 0.58333333333333 0.08868704941356 78.960 > 49 52 Se 0.59705932225223 0.58333333333333 0.08868704941356 78.960 > 49 53 Se 0.09705932225223 0.91666666666667 0.08868704941356 78.960 > 49 54 Se 0.59705932225223 0.91666666666667 0.08868704941356 78.960 > 49 55 Se 0.40294067774777 0.08333333333333 0.91131295058644 78.960 > 55 56 Se 0.90294067774777 0.08333333333333 0.91131295058644 78.960 > 55 57 Se 0.40294067774777 0.41666666666667 0.91131295058644 78.960 > 55 58 Se 0.90294067774777 0.41666666666667 0.91131295058644 78.960 > 55 59 Se 0.40294067774777 0.75000000000000 0.91131295058644 78.960 > 55 60 Se 0.90294067774777 0.75000000000000 0.91131295058644 78.960 > 55 61 Se 0.14924899259362 0.08333333333333 0.83568176029561 78.960 > 61 62 Se 0.64924899259362 0.08333333333333 0.83568176029561 78.960 > 61 63 Se 0.14924899259362 0.41666666666667 0.83568176029561 78.960 > 61 64 Se 0.64924899259362 0.41666666666667 0.83568176029561 78.960 > 61 65 Se 0.14924899259362 0.75000000000000 0.83568176029561 78.960 > 61 66 Se 0.64924899259362 0.75000000000000 0.83568176029561 78.960 > 61 67 Se 0.22592141812599 0.08333333333333 0.34493515828045 78.960 > 67 68 Se 0.72592141812599 0.08333333333333 0.34493515828045 78.960 > 67 69 Se 0.22592141812599 0.41666666666667 0.34493515828045 78.960 > 67 70 Se 0.72592141812599 0.41666666666667 0.34493515828045 78.960 > 67 71 Se 0.22592141812599 0.75000000000000 0.34493515828045 78.960 > 67 72 Se 0.72592141812599 0.75000000000000 0.34493515828045 78.960 > 67 73 Cl 0.04627075582938 0.25000000000000 0.40172566476933 35.453 > 73 74 Cl 0.54627075582938 0.25000000000000 0.40172566476933 35.453 > 73 75 Cl 0.04627075582938 0.58333333333333 0.40172566476933 35.453 > 73 76 Cl 0.54627075582938 0.58333333333333 0.40172566476933 35.453 > 73 77 Cl 0.04627075582938 0.91666666666667 0.40172566476933 35.453 > 73 78 Cl 0.54627075582938 0.91666666666667 0.40172566476933 35.453 > 73 79 Cl 0.45372924417062 0.08333333333333 0.59827433523067 35.453 > 79 80 Cl 0.95372924417062 0.08333333333333 0.59827433523067 35.453 > 79 81 Cl 0.45372924417062 0.41666666666667 0.59827433523067 35.453 > 79 82 Cl 0.95372924417062 0.41666666666667 0.59827433523067 35.453 > 79 83 Cl 0.45372924417062 0.75000000000000 0.59827433523067 35.453 > 79 84 Cl 0.95372924417062 0.75000000000000 0.59827433523067 35.453 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.0725102 0.0000000 -4.5042356 0.0000000 21.6560504 0.0000000 -4.5042328 0.0000000 17.1508564 -------------------------- Born effective charges -------------------------- 1 Ag 2.3818465 0.0000000 0.0464724 0.0000000 2.2513583 0.0000000 0.0521760 0.0000000 1.9721037 2 Ag 2.3818465 0.0000000 0.0464724 0.0000000 2.2513583 0.0000000 0.0521760 0.0000000 1.9721037 3 Bi 4.4819009 0.0000000 -2.0470478 0.0000000 4.5359714 0.0000000 -1.3625796 0.0000000 6.1069261 4 Bi 4.4819009 0.0000000 -2.0470478 0.0000000 4.5359714 0.0000000 -1.3625796 0.0000000 6.1069261 5 Bi 5.1628441 0.0000000 -0.7441466 0.0000000 7.6353143 0.0000000 -1.4927463 0.0000000 3.2133358 6 Bi 5.1628441 0.0000000 -0.7441466 0.0000000 7.6353143 0.0000000 -1.4927463 0.0000000 3.2133358 7 Se -3.8924874 0.0000000 1.6458291 0.0000000 -4.8616272 0.0000000 1.7509816 0.0000000 -3.4064712 8 Se -2.5490688 0.0000000 1.1740988 0.0000000 -2.6484497 0.0000000 1.1300306 0.0000000 -2.8089261 9 Se -3.2762389 0.0000000 0.9036331 0.0000000 -4.2796302 0.0000000 0.7481698 0.0000000 -2.3327006 10 Se -3.2762389 0.0000000 0.9036331 0.0000000 -4.2796302 0.0000000 0.7481698 0.0000000 -2.3327006 11 Se -3.8924874 0.0000000 1.6458291 0.0000000 -4.8616272 0.0000000 1.7509816 0.0000000 -3.4064712 12 Se -2.5490688 0.0000000 1.1740988 0.0000000 -2.6484497 0.0000000 1.1300306 0.0000000 -2.8089261 13 Cl -2.3087965 0.0000000 -0.9788390 0.0000000 -2.6329370 0.0000000 -0.8260322 0.0000000 -2.7442677 14 Cl -2.3087965 0.0000000 -0.9788390 0.0000000 -2.6329370 0.0000000 -0.8260322 0.0000000 -2.7442677 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (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 ... [ 6 12 5 ] 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: 303, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.742 ( 0.000 0.000 0.000) 0.000 0.889 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 12.136 0.000 9.617) 15.484 0.341 ( 14.555 0.000 2.810) 14.823 0.557 ( 23.894 0.000 2.936) 24.074 0.806 ( 5.767 0.000 -0.562) 5.794 0.976 ( 2.517 0.000 3.787) 4.547 1.154 ( 3.057 0.000 0.171) 3.062 1.213 ( 6.394 0.000 3.665) 7.370 1.355 ( -3.474 0.000 -7.270) 8.058 1.369 ( -1.149 0.000 0.174) 1.163 1.521 ( -0.090 0.000 7.796) 7.796 1.648 ( -3.878 0.000 -0.032) 3.878 1.758 ( 4.081 0.000 -7.667) 8.685 1.952 ( 5.514 0.000 -5.502) 7.790 1.987 ( -6.425 0.000 0.231) 6.429 2.011 ( -6.155 0.000 -0.553) 6.180 2.128 ( -11.503 0.000 -0.621) 11.519 2.464 ( -0.221 0.000 -2.742) 2.751 2.593 ( -1.046 0.000 4.250) 4.377 2.703 ( -0.512 0.000 -5.118) 5.144 2.800 ( -0.072 0.000 2.588) 2.589 2.892 ( -19.830 0.000 -0.346) 19.833 3.092 ( 1.453 0.000 0.355) 1.496 3.327 ( 16.701 0.000 -53.588) 56.130 3.548 ( -4.702 0.000 1.679) 4.993 3.695 ( 2.424 0.000 0.258) 2.438 3.731 ( 3.360 0.000 0.028) 3.360 3.774 ( 4.387 0.000 -0.354) 4.401 3.810 ( 4.395 0.000 -4.111) 6.018 3.881 ( -3.128 0.000 3.070) 4.383 3.935 ( -1.276 0.000 2.475) 2.784 4.179 ( -0.991 0.000 -2.069) 2.294 4.372 ( -1.845 0.000 -2.843) 3.389 4.474 ( -1.093 0.000 -0.117) 1.100 4.622 ( 2.251 0.000 0.147) 2.256 4.651 ( 2.412 0.000 -2.847) 3.731 4.756 ( 2.544 0.000 6.367) 6.856 4.857 ( 2.068 0.000 1.278) 2.431 5.185 ( -5.288 0.000 30.506) 30.961 5.300 ( -1.023 0.000 -1.204) 1.580 5.500 ( -2.088 0.000 1.762) 2.732 5.562 ( -0.145 0.000 -3.218) 3.222 5.721 ( -0.930 0.000 -0.981) 1.352 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 12.650 0.000 6.746) 14.337 0.624 ( 10.892 0.000 2.043) 11.082 0.936 ( 5.141 0.000 -0.592) 5.175 0.936 ( 6.164 0.000 4.379) 7.561 1.113 ( 9.902 0.000 3.315) 10.442 1.224 ( 2.618 0.000 0.262) 2.631 1.245 ( -1.382 0.000 -8.638) 8.748 1.331 ( -2.654 0.000 0.433) 2.689 1.416 ( 8.939 0.000 8.666) 12.450 1.536 ( -5.606 0.000 0.004) 5.606 1.549 ( -0.551 0.000 4.141) 4.178 1.736 ( -12.465 0.000 -0.428) 12.472 1.769 ( -0.747 0.000 -6.007) 6.053 1.856 ( -6.295 0.000 -4.427) 7.695 1.995 ( -1.599 0.000 -0.568) 1.696 2.047 ( 4.644 0.000 -0.892) 4.729 2.421 ( -21.325 0.000 0.178) 21.326 2.447 ( -0.715 0.000 0.718) 1.013 2.535 ( -3.726 0.000 -2.046) 4.251 2.699 ( 1.484 0.000 -3.086) 3.424 2.787 ( -1.734 0.000 0.329) 1.764 3.213 ( 7.967 0.000 -0.136) 7.968 3.436 ( 3.863 0.000 -10.886) 11.551 3.451 ( 3.495 0.000 -5.617) 6.616 3.591 ( -7.996 0.000 0.050) 7.996 3.783 ( -6.772 0.000 3.330) 7.546 3.815 ( 3.555 0.000 0.116) 3.557 3.873 ( 2.428 0.000 -2.923) 3.800 3.901 ( 4.175 0.000 -0.203) 4.180 3.960 ( 1.482 0.000 2.582) 2.977 4.149 ( -0.756 0.000 -1.493) 1.674 4.299 ( -2.957 0.000 -1.945) 3.539 4.460 ( -0.249 0.000 0.123) 0.278 4.664 ( 1.458 0.000 -0.026) 1.458 4.707 ( 3.409 0.000 -1.829) 3.869 4.837 ( 1.146 0.000 7.547) 7.634 4.912 ( 2.685 0.000 -1.318) 2.991 5.232 ( -1.171 0.000 7.677) 7.766 5.275 ( -0.922 0.000 2.969) 3.109 5.452 ( -2.565 0.000 -1.410) 2.927 5.559 ( 1.106 0.000 1.512) 1.873 5.684 ( -1.625 0.000 -3.106) 3.505 ======================= Grid point 3 (4/112) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.000 0.000 0.000) 0.000 0.810 ( 0.000 0.000 0.000) 0.000 0.932 ( -0.000 0.000 -0.000) 0.000 0.950 ( -0.000 0.000 0.000) 0.000 1.212 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.291 ( -0.000 0.000 -0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 -0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.666 ( -0.002 0.000 -0.002) 0.003 1.666 ( 0.002 0.000 0.002) 0.003 1.725 ( 0.000 0.000 0.000) 0.000 2.036 ( -0.000 0.000 0.000) 0.000 2.105 ( -0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.459 ( -0.000 0.000 -0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 3.377 ( -0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 -0.000) 0.000 3.588 ( 0.000 0.000 -0.000) 0.000 3.664 ( -0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 -0.000) 0.000 4.871 ( 0.000 0.000 -0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.610 ( -0.000 0.000 -0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/112) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.000 14.537 0.000) 14.537 0.386 ( 0.000 18.563 0.000) 18.563 0.597 ( 0.000 28.558 0.000) 28.558 0.894 ( 0.000 1.451 0.000) 1.451 1.000 ( 0.000 8.146 0.000) 8.146 1.166 ( 0.000 3.574 0.000) 3.574 1.214 ( 0.000 6.752 0.000) 6.752 1.402 ( 0.000 5.209 0.000) 5.209 1.481 ( 0.000 0.138 0.000) 0.138 1.493 ( 0.000 9.937 0.000) 9.937 1.678 ( 0.000 -0.862 0.000) 0.862 1.752 ( 0.000 2.097 0.000) 2.097 1.783 ( 0.000 1.204 0.000) 1.204 2.050 ( 0.000 0.600 0.000) 0.600 2.083 ( 0.000 -0.436 0.000) 0.436 2.490 ( 0.000 1.163 0.000) 1.163 2.516 ( 0.000 -2.678 0.000) 2.678 2.547 ( 0.000 3.485 0.000) 3.485 2.706 ( 0.000 -5.585 0.000) 5.585 2.858 ( 0.000 -0.836 0.000) 0.836 2.944 ( 0.000 9.350 0.000) 9.350 3.290 ( 0.000 0.653 0.000) 0.653 3.406 ( 0.000 -9.305 0.000) 9.305 3.559 ( 0.000 -7.502 0.000) 7.502 3.653 ( 0.000 0.806 0.000) 0.806 3.758 ( 0.000 -0.729 0.000) 0.729 3.761 ( 0.000 1.031 0.000) 1.031 3.848 ( 0.000 4.695 0.000) 4.695 3.898 ( 0.000 -0.414 0.000) 0.414 4.153 ( 0.000 -3.134 0.000) 3.134 4.377 ( 0.000 0.561 0.000) 0.561 4.389 ( 0.000 -4.810 0.000) 4.810 4.419 ( 0.000 0.115 0.000) 0.115 4.587 ( 0.000 -1.030 0.000) 1.030 4.648 ( 0.000 -0.003 0.000) 0.003 4.718 ( 0.000 3.250 0.000) 3.250 4.733 ( 0.000 2.027 0.000) 2.027 4.821 ( 0.000 -0.472 0.000) 0.472 5.284 ( 0.000 -3.201 0.000) 3.201 5.477 ( 0.000 -3.865 0.000) 3.865 5.548 ( 0.000 -2.088 0.000) 2.088 5.693 ( 0.000 -2.164 0.000) 2.164 ======================= Grid point 8 (6/112) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 7.091 9.490 2.154) 12.041 0.430 ( 6.816 10.082 5.219) 13.241 0.830 ( 11.276 16.350 1.459) 19.915 0.930 ( 3.865 5.156 -2.039) 6.759 1.011 ( 2.818 8.764 3.450) 9.831 1.195 ( 2.768 4.157 1.944) 5.359 1.260 ( 3.220 1.228 -2.016) 3.993 1.372 ( -1.806 5.543 0.529) 5.854 1.470 ( -0.886 6.291 0.561) 6.378 1.526 ( 0.473 3.199 4.350) 5.420 1.593 ( -3.962 -3.788 -3.096) 6.296 1.763 ( 4.246 1.426 -5.784) 7.315 1.949 ( 3.702 2.601 -0.872) 4.607 1.997 ( 0.322 1.134 -0.412) 1.249 2.060 ( -2.884 2.671 0.953) 4.045 2.390 ( -10.154 8.656 0.870) 13.371 2.511 ( -1.320 3.829 -2.437) 4.727 2.573 ( -1.312 0.771 1.353) 2.036 2.660 ( -6.890 -1.719 -0.366) 7.111 2.743 ( -0.306 -2.431 3.695) 4.434 2.958 ( -8.504 4.307 -1.753) 9.693 3.115 ( 0.160 3.865 -3.589) 5.277 3.467 ( -0.637 -3.076 -4.894) 5.815 3.579 ( -1.365 2.160 -2.935) 3.892 3.628 ( 2.412 -5.362 -0.648) 5.915 3.660 ( 1.052 -2.886 -0.801) 3.174 3.784 ( -3.684 4.930 -1.465) 6.326 3.855 ( 1.929 -0.000 -0.339) 1.959 3.909 ( 0.596 0.034 1.050) 1.208 4.030 ( -3.900 7.124 -9.261) 12.318 4.192 ( -1.396 2.038 -3.755) 4.494 4.378 ( -3.381 -0.264 -2.985) 4.517 4.463 ( -0.949 -1.116 0.730) 1.637 4.509 ( 1.865 -7.392 -0.679) 7.654 4.670 ( 1.360 0.539 -1.291) 1.951 4.757 ( 2.539 0.206 6.482) 6.965 4.838 ( 2.487 -1.417 0.453) 2.898 5.054 ( 5.504 -6.844 17.770) 19.822 5.267 ( -1.123 -3.279 -1.232) 3.679 5.467 ( -1.243 -3.069 1.673) 3.710 5.532 ( -0.589 -2.504 -2.673) 3.710 5.690 ( -0.404 -2.574 -1.413) 2.964 ======================= Grid point 9 (7/112) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 10.624 -1.332 1.595) 10.825 0.656 ( 11.970 4.767 7.853) 15.089 0.955 ( 0.643 1.652 4.135) 4.499 1.009 ( 3.678 5.119 -2.488) 6.777 1.132 ( 3.497 2.717 2.858) 5.270 1.226 ( 0.728 0.543 -6.654) 6.716 1.300 ( 1.634 4.919 -1.628) 5.433 1.367 ( -2.489 -2.814 1.836) 4.182 1.465 ( -0.693 8.324 -0.034) 8.352 1.545 ( 0.499 1.522 2.321) 2.820 1.577 ( 5.156 5.277 4.332) 8.555 1.765 ( -2.096 -0.438 -2.733) 3.472 1.881 ( -4.282 8.764 -0.686) 9.778 1.980 ( -3.913 6.616 -1.220) 7.783 2.095 ( 1.844 5.925 -1.549) 6.396 2.136 ( -7.134 13.731 0.580) 15.485 2.444 ( -6.566 3.880 0.750) 7.663 2.483 ( -2.247 2.385 -2.392) 4.057 2.606 ( -8.019 4.580 2.073) 9.465 2.665 ( -0.153 -0.077 -3.668) 3.672 2.807 ( -1.692 2.073 0.523) 2.727 3.223 ( 6.183 -0.752 -1.134) 6.331 3.455 ( 0.292 -0.080 -1.128) 1.168 3.513 ( 3.061 5.550 -8.501) 10.604 3.655 ( -4.415 6.126 0.269) 7.555 3.708 ( 2.046 -5.465 2.244) 6.252 3.779 ( 4.977 -6.477 -0.360) 8.176 3.795 ( -5.879 -1.442 0.529) 6.076 3.920 ( -0.611 -0.803 0.386) 1.081 3.996 ( 1.276 3.333 -2.083) 4.132 4.161 ( -0.374 0.258 -2.102) 2.150 4.283 ( -3.559 -1.931 -1.898) 4.471 4.451 ( -0.227 -0.150 0.741) 0.790 4.557 ( 2.002 -8.696 -0.572) 8.942 4.692 ( 1.017 -1.994 0.070) 2.239 4.840 ( 1.345 0.000 7.063) 7.190 4.894 ( 2.839 -1.524 -2.493) 4.074 5.177 ( 0.744 -4.606 6.889) 8.320 5.237 ( -0.980 -3.709 0.626) 3.887 5.439 ( -1.916 -1.216 -0.295) 2.289 5.522 ( 0.935 -3.510 0.778) 3.714 5.656 ( -1.582 -2.446 -2.889) 4.102 ======================= Grid point 10 (8/112) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 -2.174 0.000) 2.174 0.912 ( 0.000 4.391 0.000) 4.391 0.939 ( 0.000 0.236 -0.000) 0.236 0.986 ( 0.000 2.708 0.000) 2.708 1.175 ( 0.000 -1.155 -0.000) 1.155 1.212 ( 0.000 -5.293 0.000) 5.293 1.269 ( 0.000 0.967 0.000) 0.967 1.368 ( 0.000 -1.024 0.000) 1.024 1.444 ( 0.000 10.953 0.000) 10.953 1.553 ( 0.000 0.922 0.000) 0.922 1.694 ( -0.000 8.181 0.000) 8.181 1.729 ( 0.000 1.348 0.000) 1.348 1.839 ( -0.000 11.246 -0.000) 11.246 1.895 ( 0.000 13.458 0.000) 13.458 2.056 ( 0.000 5.750 0.000) 5.750 2.127 ( 0.000 4.259 0.000) 4.259 2.342 ( 0.000 17.472 0.000) 17.472 2.469 ( 0.000 1.053 -0.000) 1.053 2.503 ( -0.000 3.558 0.000) 3.558 2.674 ( 0.000 -2.006 0.000) 2.006 2.789 ( 0.000 2.391 0.000) 2.391 3.287 ( 0.000 -4.922 0.000) 4.922 3.450 ( 0.000 3.952 0.000) 3.952 3.576 ( 0.000 11.811 -0.000) 11.811 3.638 ( 0.000 2.362 -0.000) 2.362 3.640 ( -0.000 -1.919 0.000) 1.919 3.750 ( 0.000 -6.790 0.000) 6.790 3.865 ( 0.000 -5.058 0.000) 5.058 3.889 ( 0.000 -2.301 0.000) 2.301 4.006 ( 0.000 1.102 0.000) 1.102 4.151 ( 0.000 -0.253 0.000) 0.253 4.236 ( 0.000 -2.506 0.000) 2.506 4.453 ( -0.000 0.032 0.000) 0.032 4.576 ( 0.000 -8.653 0.000) 8.653 4.705 ( 0.000 -3.470 0.000) 3.470 4.876 ( 0.000 -0.171 -0.000) 0.171 4.917 ( 0.000 -1.754 0.000) 1.754 5.188 ( 0.000 -3.490 0.000) 3.490 5.240 ( 0.000 -4.477 0.000) 4.477 5.410 ( 0.000 -0.161 0.000) 0.161 5.557 ( 0.000 -4.975 -0.000) 4.975 5.613 ( 0.000 -1.357 0.000) 1.357 ======================= Grid point 14 (9/112) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 12.240 0.000) 12.240 0.745 ( 0.000 16.185 0.000) 16.185 0.969 ( 0.000 5.776 0.000) 5.776 1.108 ( 0.000 15.712 0.000) 15.712 1.191 ( 0.000 10.269 0.000) 10.269 1.293 ( 0.000 12.533 0.000) 12.533 1.306 ( 0.000 2.457 0.000) 2.457 1.487 ( 0.000 0.566 0.000) 0.566 1.559 ( 0.000 7.540 0.000) 7.540 1.663 ( 0.000 -0.430 0.000) 0.430 1.728 ( 0.000 9.722 0.000) 9.722 1.818 ( 0.000 4.185 0.000) 4.185 1.823 ( 0.000 5.358 0.000) 5.358 2.048 ( 0.000 -1.140 0.000) 1.140 2.062 ( 0.000 -1.984 0.000) 1.984 2.490 ( 0.000 0.042 0.000) 0.042 2.525 ( 0.000 2.352 0.000) 2.352 2.564 ( 0.000 -7.491 0.000) 7.491 2.634 ( 0.000 4.927 0.000) 4.927 2.889 ( 0.000 4.023 0.000) 4.023 3.016 ( 0.000 -6.649 0.000) 6.649 3.225 ( 0.000 -7.887 0.000) 7.887 3.288 ( 0.000 1.541 0.000) 1.541 3.425 ( 0.000 -3.565 0.000) 3.565 3.590 ( 0.000 -6.695 0.000) 6.695 3.724 ( 0.000 -2.422 0.000) 2.422 3.767 ( 0.000 -1.854 0.000) 1.854 3.911 ( 0.000 1.676 0.000) 1.676 3.948 ( 0.000 4.323 0.000) 4.323 4.112 ( 0.000 -0.675 0.000) 0.675 4.264 ( 0.000 -3.737 0.000) 3.737 4.374 ( 0.000 -1.002 0.000) 1.002 4.475 ( 0.000 3.145 0.000) 3.145 4.553 ( 0.000 -1.976 0.000) 1.976 4.635 ( 0.000 -1.567 0.000) 1.567 4.753 ( 0.000 -0.742 0.000) 0.742 4.775 ( 0.000 2.092 0.000) 2.092 4.869 ( 0.000 5.960 0.000) 5.960 5.183 ( 0.000 -6.528 0.000) 6.528 5.370 ( 0.000 -6.256 0.000) 6.256 5.500 ( 0.000 -2.308 0.000) 2.308 5.632 ( 0.000 -3.629 0.000) 3.629 ======================= Grid point 15 (10/112) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.766 13.828 -2.701) 14.199 0.667 ( -2.228 13.081 4.553) 14.029 0.973 ( 0.355 4.804 1.865) 5.166 1.137 ( 1.195 8.178 -3.266) 8.886 1.229 ( -1.523 7.548 4.022) 8.687 1.249 ( -0.537 0.887 -4.499) 4.617 1.388 ( 5.143 13.363 1.361) 14.383 1.502 ( -3.297 0.862 0.758) 3.491 1.532 ( -3.408 5.234 0.352) 6.256 1.562 ( 3.401 4.959 1.032) 6.101 1.736 ( -1.141 12.268 -0.188) 12.322 1.788 ( 1.051 1.083 -3.137) 3.481 1.966 ( -0.426 -1.341 -0.358) 1.452 2.050 ( 9.275 3.429 0.325) 9.894 2.098 ( 0.273 0.856 0.775) 1.186 2.485 ( -0.288 3.245 -0.492) 3.295 2.536 ( 1.072 0.589 -0.534) 1.334 2.588 ( 0.884 -2.129 -0.529) 2.365 2.673 ( 3.291 1.559 -1.463) 3.925 2.790 ( -9.244 7.598 3.368) 12.431 2.994 ( -3.689 -2.876 -0.235) 4.683 3.166 ( 0.326 -0.450 -2.356) 2.420 3.350 ( 2.662 -5.468 -0.677) 6.119 3.435 ( 1.836 -6.547 1.785) 7.030 3.586 ( -0.175 -3.040 1.450) 3.372 3.693 ( -2.571 2.201 2.864) 4.434 3.801 ( 0.918 -4.378 -0.697) 4.527 3.896 ( -1.038 0.241 0.907) 1.400 3.923 ( -1.812 5.542 -0.865) 5.895 4.068 ( -2.202 -1.305 -4.451) 5.134 4.242 ( -2.984 -0.198 -1.404) 3.304 4.327 ( -3.961 -1.850 -3.239) 5.441 4.393 ( -2.454 -1.476 -0.626) 2.932 4.508 ( -0.952 2.291 -4.302) 4.966 4.651 ( -1.366 -2.171 1.657) 3.054 4.760 ( 1.560 -0.148 6.242) 6.436 4.819 ( 2.968 -0.303 -2.277) 3.753 4.983 ( 5.054 -0.006 6.798) 8.471 5.168 ( -1.127 -6.268 -1.020) 6.450 5.370 ( -0.224 -6.237 0.872) 6.302 5.484 ( -1.084 -1.941 -1.160) 2.508 5.625 ( -0.494 -3.598 -1.139) 3.806 ======================= Grid point 16 (11/112) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 4.151 7.543 1.654) 8.767 0.782 ( 8.065 7.195 5.406) 12.084 0.967 ( -3.170 0.803 3.029) 4.458 1.136 ( 0.516 3.933 -4.648) 6.111 1.165 ( -1.530 3.194 1.680) 3.920 1.284 ( 1.271 4.387 0.300) 4.577 1.310 ( -7.183 -0.794 -6.210) 9.528 1.429 ( -0.354 6.171 -1.682) 6.406 1.549 ( 0.007 2.448 4.344) 4.986 1.695 ( -2.586 8.344 -1.850) 8.929 1.750 ( 0.420 -0.006 -1.462) 1.521 1.758 ( 7.103 9.214 4.425) 12.447 1.970 ( 0.236 3.452 -1.052) 3.617 2.112 ( 1.504 5.479 -0.641) 5.718 2.205 ( 4.484 5.000 -0.623) 6.745 2.435 ( -7.673 10.046 0.927) 12.675 2.526 ( -3.292 3.800 0.551) 5.058 2.558 ( 1.423 3.639 -0.883) 4.005 2.645 ( 0.327 3.866 -0.793) 3.960 2.761 ( 0.303 3.203 1.190) 3.431 2.868 ( -5.811 4.236 -0.428) 7.204 3.209 ( 1.850 0.272 -1.119) 2.179 3.407 ( 6.617 -3.854 -2.823) 8.161 3.547 ( 5.076 -9.244 1.089) 10.602 3.578 ( -1.352 -0.098 3.141) 3.421 3.694 ( 2.101 2.513 1.026) 3.432 3.754 ( -4.751 -1.699 0.941) 5.132 3.874 ( -1.870 3.930 -0.985) 4.462 3.893 ( -0.375 3.195 -0.051) 3.217 4.005 ( -1.533 -3.607 -3.326) 5.140 4.147 ( -3.170 -0.908 -3.814) 5.041 4.203 ( -5.668 -5.382 -0.025) 7.816 4.395 ( 1.025 -4.766 0.521) 4.903 4.485 ( -0.047 2.396 -2.353) 3.359 4.630 ( -1.081 -3.563 1.734) 4.107 4.820 ( 0.455 -2.439 5.495) 6.029 4.865 ( 2.596 -0.823 -2.380) 3.617 5.093 ( 2.466 -2.600 3.825) 5.241 5.132 ( -1.466 -6.048 -1.105) 6.320 5.372 ( -0.199 -6.506 1.572) 6.696 5.455 ( -0.708 -1.564 -1.108) 2.043 5.599 ( -1.065 -2.876 -1.656) 3.485 ======================= Grid point 17 (12/112) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 3.282 0.000) 3.282 0.910 ( 0.000 -2.311 0.000) 2.311 0.998 ( 0.000 4.825 0.000) 4.825 1.043 ( 0.000 3.484 0.000) 3.484 1.174 ( 0.000 0.645 0.000) 0.645 1.185 ( 0.000 3.186 -0.000) 3.186 1.306 ( 0.000 2.359 0.000) 2.359 1.418 ( 0.000 4.152 0.000) 4.152 1.575 ( 0.000 1.307 0.000) 1.307 1.633 ( -0.000 6.230 -0.000) 6.230 1.756 ( 0.000 0.841 -0.000) 0.841 1.848 ( 0.000 5.383 0.000) 5.383 1.981 ( 0.000 7.334 0.000) 7.334 2.131 ( 0.000 8.917 -0.000) 8.917 2.245 ( 0.000 6.261 -0.000) 6.261 2.318 ( -0.000 13.604 0.000) 13.604 2.510 ( 0.000 3.308 0.000) 3.308 2.581 ( 0.000 3.682 0.000) 3.682 2.651 ( 0.000 2.952 0.000) 2.952 2.731 ( 0.000 13.746 0.000) 13.746 2.821 ( 0.000 -0.046 0.000) 0.046 3.215 ( 0.000 -1.723 0.000) 1.723 3.546 ( 0.000 4.397 0.000) 4.397 3.578 ( 0.000 -1.602 -0.000) 1.602 3.611 ( 0.001 -5.955 -0.000) 5.955 3.612 ( -0.001 -3.691 0.000) 3.691 3.785 ( 0.000 -0.308 0.000) 0.308 3.832 ( 0.000 1.554 0.000) 1.554 3.882 ( 0.000 8.151 0.000) 8.151 3.974 ( 0.000 -4.621 -0.000) 4.621 4.110 ( 0.000 -2.904 -0.000) 2.904 4.123 ( -0.000 -9.016 0.000) 9.016 4.411 ( 0.000 -5.524 0.000) 5.524 4.476 ( 0.000 1.615 0.000) 1.615 4.625 ( 0.000 -3.731 0.000) 3.731 4.837 ( 0.000 -4.072 -0.000) 4.072 4.890 ( 0.000 -0.179 0.000) 0.179 5.109 ( -0.000 -5.510 0.000) 5.510 5.129 ( 0.000 -3.691 0.000) 3.691 5.374 ( 0.000 -5.970 0.000) 5.970 5.448 ( 0.000 -2.711 0.000) 2.711 5.578 ( 0.000 -1.856 0.000) 1.856 ======================= Grid point 21 (13/112) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 10.300 0.000) 10.300 1.030 ( 0.000 11.345 0.000) 11.345 1.114 ( 0.000 7.788 0.000) 7.788 1.223 ( 0.000 0.801 0.000) 0.801 1.322 ( 0.000 2.989 0.000) 2.989 1.341 ( 0.000 1.252 0.000) 1.252 1.499 ( 0.000 0.790 0.000) 0.790 1.592 ( 0.000 -3.642 0.000) 3.642 1.649 ( 0.000 4.414 0.000) 4.414 1.724 ( 0.000 16.324 0.000) 16.324 1.836 ( 0.000 4.340 0.000) 4.340 1.902 ( 0.000 3.814 0.000) 3.814 1.976 ( 0.000 -2.716 0.000) 2.716 1.991 ( 0.000 -4.919 0.000) 4.919 2.087 ( 0.000 12.652 0.000) 12.652 2.405 ( 0.000 -6.983 0.000) 6.983 2.529 ( 0.000 2.180 0.000) 2.180 2.587 ( 0.000 3.448 0.000) 3.448 2.758 ( 0.000 7.275 0.000) 7.275 2.814 ( 0.000 -7.944 0.000) 7.944 2.895 ( 0.000 -8.112 0.000) 8.112 3.126 ( 0.000 3.699 0.000) 3.699 3.333 ( 0.000 -3.034 0.000) 3.034 3.415 ( 0.000 2.324 0.000) 2.324 3.461 ( 0.000 -1.477 0.000) 1.477 3.673 ( 0.000 -2.313 0.000) 2.313 3.674 ( 0.000 -5.770 0.000) 5.770 3.928 ( 0.000 -0.700 0.000) 0.700 3.994 ( 0.000 -0.253 0.000) 0.253 4.117 ( 0.000 0.702 0.000) 0.702 4.254 ( 0.000 1.561 0.000) 1.561 4.324 ( 0.000 -4.228 0.000) 4.228 4.494 ( 0.000 -2.008 0.000) 2.008 4.561 ( 0.000 3.322 0.000) 3.322 4.588 ( 0.000 -2.778 0.000) 2.778 4.723 ( 0.000 -1.858 0.000) 1.858 4.813 ( 0.000 1.459 0.000) 1.459 4.996 ( 0.000 0.768 0.000) 0.768 5.050 ( 0.000 -1.189 0.000) 1.189 5.242 ( 0.000 -5.678 0.000) 5.678 5.460 ( 0.000 -1.619 0.000) 1.619 5.555 ( 0.000 -3.709 0.000) 3.709 ======================= Grid point 22 (14/112) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 2.947 9.874 0.092) 10.305 0.950 ( -5.694 13.096 -1.455) 14.354 1.088 ( -2.914 5.589 2.141) 6.656 1.186 ( -1.971 -0.805 -2.973) 3.657 1.309 ( -1.288 4.118 0.490) 4.342 1.338 ( 0.301 2.756 0.672) 2.852 1.485 ( -4.861 -0.057 -4.703) 6.764 1.524 ( 0.605 0.610 -0.141) 0.870 1.690 ( -4.093 6.359 2.576) 7.989 1.737 ( 2.810 5.498 0.102) 6.175 1.857 ( -2.143 6.992 1.518) 7.469 1.901 ( -2.215 0.259 1.304) 2.583 1.929 ( 5.890 1.557 -0.249) 6.097 2.093 ( 6.370 -1.220 -0.202) 6.489 2.145 ( 4.783 7.465 -0.691) 8.893 2.475 ( 5.776 -5.714 -1.633) 8.287 2.546 ( 1.289 2.060 0.428) 2.467 2.597 ( 0.443 2.795 1.146) 3.053 2.749 ( -0.450 5.744 -1.428) 5.936 2.852 ( 2.745 -8.307 0.530) 8.765 2.937 ( -1.320 4.791 0.186) 4.973 3.104 ( 3.580 -2.075 0.715) 4.199 3.284 ( -3.532 -4.470 -0.147) 5.699 3.370 ( -0.798 1.607 -0.996) 2.052 3.537 ( 2.389 -1.536 2.551) 3.818 3.673 ( 0.730 -3.939 0.344) 4.021 3.699 ( 1.022 -3.787 1.277) 4.125 3.879 ( -3.581 -2.294 0.530) 4.285 3.995 ( -0.489 0.874 -0.002) 1.002 4.072 ( -3.639 1.520 -1.297) 4.151 4.218 ( -3.791 -0.645 0.365) 3.863 4.313 ( -1.377 -1.831 0.066) 2.291 4.401 ( -6.293 2.347 -3.476) 7.562 4.517 ( 0.720 -1.341 -3.917) 4.203 4.605 ( -2.030 -1.770 2.089) 3.408 4.736 ( 0.329 -1.974 2.834) 3.470 4.835 ( 1.810 1.252 -0.925) 2.387 5.001 ( -0.143 -4.210 0.939) 4.316 5.064 ( 1.386 1.646 0.015) 2.152 5.237 ( -0.611 -5.966 0.213) 6.001 5.453 ( -0.498 -1.077 -0.101) 1.191 5.552 ( -0.193 -3.280 -0.176) 3.291 ======================= Grid point 23 (15/112) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -2.105 10.768 -0.471) 10.982 0.937 ( 4.175 7.494 2.084) 8.828 1.001 ( -3.676 2.560 0.750) 4.542 1.169 ( 0.731 2.169 -0.476) 2.338 1.286 ( -1.380 5.698 -1.240) 5.992 1.310 ( -4.389 1.025 -2.441) 5.125 1.370 ( -2.034 2.773 -1.516) 3.758 1.512 ( -1.165 1.554 -0.297) 1.965 1.632 ( -2.352 5.170 2.458) 6.189 1.734 ( -1.571 0.977 -1.316) 2.271 1.789 ( -3.875 -0.299 -0.010) 3.886 1.897 ( 2.266 3.729 2.733) 5.148 2.096 ( 5.342 6.920 -0.096) 8.743 2.195 ( 4.438 2.831 -0.766) 5.320 2.266 ( 5.478 0.906 -0.313) 5.561 2.539 ( -2.067 1.847 1.286) 3.055 2.587 ( 3.219 0.913 -1.189) 3.551 2.609 ( 1.181 3.031 -0.552) 3.299 2.747 ( 1.303 -0.161 -1.748) 2.187 2.798 ( -6.977 6.465 2.537) 9.844 2.901 ( -0.083 -1.004 -0.205) 1.028 3.212 ( -1.717 -1.923 -0.772) 2.692 3.335 ( 11.489 -6.056 0.945) 13.022 3.405 ( 5.048 -0.565 0.436) 5.098 3.568 ( 0.670 0.017 1.943) 2.055 3.696 ( 0.939 -4.869 -0.202) 4.963 3.731 ( 1.605 -1.732 1.536) 2.817 3.814 ( -2.022 -4.969 -0.920) 5.443 3.927 ( -7.167 0.631 0.894) 7.250 4.001 ( -1.648 1.687 -1.846) 2.995 4.111 ( -5.638 -2.508 0.997) 6.251 4.195 ( -6.043 5.069 -4.881) 9.276 4.355 ( 0.315 0.087 2.653) 2.673 4.504 ( -0.045 -1.139 -5.144) 5.269 4.570 ( -1.572 -1.779 2.800) 3.671 4.741 ( -0.845 -4.111 1.055) 4.328 4.878 ( 2.236 0.867 0.669) 2.490 4.990 ( -1.155 -6.152 0.122) 6.260 5.099 ( 1.480 1.472 0.156) 2.093 5.218 ( -1.121 -7.076 0.083) 7.165 5.443 ( -0.362 -0.022 -0.063) 0.368 5.546 ( -0.255 -2.211 -0.180) 2.233 ======================= Grid point 24 (16/112) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 7.567 0.000) 7.567 0.912 ( 0.000 2.803 0.000) 2.803 1.112 ( -0.000 5.906 -0.000) 5.906 1.131 ( 0.000 4.752 0.000) 4.752 1.190 ( 0.000 1.032 0.000) 1.032 1.281 ( 0.000 5.270 -0.000) 5.270 1.355 ( 0.000 2.099 0.000) 2.099 1.495 ( 0.000 2.311 0.000) 2.311 1.619 ( 0.000 3.422 0.000) 3.422 1.693 ( 0.000 0.850 -0.000) 0.850 1.763 ( 0.000 0.311 0.000) 0.311 1.930 ( 0.000 2.309 0.000) 2.309 2.152 ( 0.000 8.229 0.000) 8.229 2.247 ( 0.000 2.519 -0.000) 2.519 2.327 ( 0.000 0.631 -0.000) 0.631 2.496 ( 0.000 3.697 0.000) 3.697 2.599 ( -0.000 5.176 0.000) 5.176 2.655 ( 0.000 4.253 0.000) 4.253 2.708 ( 0.000 3.340 -0.000) 3.340 2.774 ( 0.000 -4.308 0.000) 4.308 2.886 ( 0.000 1.531 0.000) 1.531 3.192 ( 0.000 -1.475 0.000) 1.475 3.440 ( 0.000 -7.953 0.000) 7.953 3.501 ( 0.000 -5.008 0.000) 5.008 3.672 ( 0.000 4.525 0.000) 4.525 3.692 ( -0.000 8.064 0.000) 8.064 3.756 ( 0.000 -6.857 0.000) 6.857 3.777 ( 0.000 2.025 0.000) 2.025 3.835 ( 0.000 -12.891 0.000) 12.891 3.920 ( -0.000 -3.378 0.000) 3.378 4.061 ( 0.000 2.789 0.000) 2.789 4.107 ( 0.000 5.241 0.000) 5.241 4.373 ( 0.000 0.965 -0.000) 0.965 4.481 ( 0.000 -1.408 0.000) 1.408 4.567 ( 0.000 -1.900 0.000) 1.900 4.731 ( 0.000 -5.166 0.000) 5.166 4.915 ( 0.000 1.589 0.000) 1.589 4.968 ( -0.000 -6.771 0.000) 6.771 5.116 ( 0.000 1.027 0.000) 1.027 5.204 ( 0.000 -8.276 0.000) 8.276 5.439 ( 0.000 0.447 0.000) 0.447 5.542 ( 0.000 -1.543 -0.000) 1.543 ======================= Grid point 28 (17/112) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 7.879 0.000) 7.879 1.183 ( 0.000 -4.477 0.000) 4.477 1.197 ( 0.000 4.611 0.000) 4.611 1.235 ( 0.000 1.931 0.000) 1.931 1.334 ( 0.000 -0.981 0.000) 0.981 1.338 ( 0.000 -0.924 0.000) 0.924 1.499 ( 0.000 -0.912 0.000) 0.912 1.558 ( 0.000 2.768 0.000) 2.768 1.678 ( 0.000 0.078 0.000) 0.078 1.825 ( 0.000 -5.880 0.000) 5.880 1.853 ( 0.000 -5.912 0.000) 5.912 1.873 ( 0.000 -3.832 0.000) 3.832 1.954 ( 0.000 2.434 0.000) 2.434 2.054 ( 0.000 3.642 0.000) 3.642 2.318 ( 0.000 3.455 0.000) 3.455 2.338 ( 0.000 10.647 0.000) 10.647 2.566 ( 0.000 2.498 0.000) 2.498 2.650 ( 0.000 2.580 0.000) 2.580 2.697 ( 0.000 -7.867 0.000) 7.867 2.813 ( 0.000 6.267 0.000) 6.267 2.924 ( 0.000 8.215 0.000) 8.215 3.183 ( 0.000 -8.340 0.000) 8.340 3.265 ( 0.000 8.003 0.000) 8.003 3.504 ( 0.000 2.032 0.000) 2.032 3.515 ( 0.000 6.844 0.000) 6.844 3.593 ( 0.000 -1.488 0.000) 1.488 3.652 ( 0.000 1.109 0.000) 1.109 3.880 ( 0.000 -3.809 0.000) 3.809 3.945 ( 0.000 -4.091 0.000) 4.091 4.119 ( 0.000 -0.982 0.000) 0.982 4.196 ( 0.000 -8.088 0.000) 8.088 4.260 ( 0.000 -2.399 0.000) 2.399 4.462 ( 0.000 -0.444 0.000) 0.444 4.533 ( 0.000 -2.418 0.000) 2.418 4.618 ( 0.000 1.949 0.000) 1.949 4.684 ( 0.000 -1.682 0.000) 1.682 4.823 ( 0.000 -0.770 0.000) 0.770 4.874 ( 0.000 -6.162 0.000) 6.162 5.152 ( 0.000 4.581 0.000) 4.581 5.163 ( 0.000 -1.772 0.000) 1.772 5.434 ( 0.000 -0.890 0.000) 0.890 5.488 ( 0.000 -2.720 0.000) 2.720 ======================= Grid point 29 (18/112) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.667 7.134 -0.265) 7.331 1.104 ( -4.494 -2.788 0.290) 5.297 1.173 ( -4.192 7.623 -3.345) 9.321 1.225 ( 0.380 4.441 0.323) 4.469 1.328 ( 1.850 -3.670 0.119) 4.112 1.365 ( -0.125 0.122 0.433) 0.467 1.497 ( -3.147 1.875 -1.670) 4.026 1.523 ( -0.173 -0.487 -0.662) 0.840 1.710 ( -1.082 -0.924 2.441) 2.826 1.764 ( 2.033 -4.049 -0.121) 4.533 1.860 ( -2.606 -5.511 1.257) 6.225 1.889 ( -2.689 4.247 1.211) 5.170 2.013 ( 6.785 -2.767 -0.030) 7.327 2.101 ( 4.996 2.634 -1.560) 5.859 2.301 ( 0.448 5.380 -0.382) 5.412 2.407 ( 4.250 3.093 1.048) 5.360 2.581 ( 0.721 2.271 0.369) 2.411 2.652 ( 0.300 1.728 0.577) 1.846 2.723 ( 3.306 -3.762 1.170) 5.142 2.873 ( -2.117 4.905 -2.046) 5.720 2.976 ( 9.971 2.942 -0.012) 10.396 3.148 ( -3.181 -4.827 -0.242) 5.786 3.205 ( -4.462 7.074 1.528) 8.503 3.451 ( -3.793 4.127 -2.780) 6.256 3.500 ( -1.353 -2.264 4.027) 4.814 3.613 ( 2.371 0.773 -3.419) 4.232 3.691 ( 1.619 1.785 1.658) 2.925 3.802 ( -4.695 -4.839 0.104) 6.743 3.957 ( -0.547 -3.873 0.677) 3.970 4.071 ( -4.518 -2.952 -0.617) 5.432 4.175 ( -2.236 -3.840 3.704) 5.785 4.280 ( 1.135 -1.842 0.904) 2.345 4.433 ( -2.122 0.642 -4.108) 4.668 4.490 ( -1.077 -0.774 -5.039) 5.211 4.595 ( -2.006 0.928 2.493) 3.332 4.699 ( -0.002 -1.361 1.332) 1.905 4.825 ( 0.496 -2.599 -1.133) 2.879 4.889 ( 0.628 -4.410 1.425) 4.677 5.138 ( -0.858 2.216 -1.300) 2.709 5.159 ( -0.119 -0.782 -0.910) 1.206 5.439 ( 0.226 -0.386 0.700) 0.831 5.497 ( 0.426 -2.025 1.156) 2.370 ======================= Grid point 30 (19/112) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -2.327 2.025 0.924) 3.220 1.047 ( -2.181 6.577 -2.138) 7.251 1.111 ( 2.865 6.898 -1.456) 7.609 1.237 ( 0.168 4.466 0.834) 4.547 1.332 ( -3.387 0.871 -0.840) 3.597 1.359 ( 0.393 -0.542 1.957) 2.068 1.407 ( -2.628 2.669 -2.829) 4.694 1.520 ( -0.183 -0.447 -0.391) 0.621 1.679 ( -1.977 -0.054 0.969) 2.203 1.745 ( -3.734 -2.364 0.529) 4.451 1.830 ( 0.357 4.586 -1.168) 4.746 1.905 ( 1.556 -0.531 3.160) 3.562 2.145 ( 5.604 -1.778 1.989) 6.206 2.211 ( 5.047 -1.425 -1.946) 5.594 2.313 ( 0.133 3.590 -0.224) 3.599 2.520 ( 4.215 -5.075 0.137) 6.598 2.578 ( -0.107 2.283 1.738) 2.871 2.676 ( 1.513 2.435 0.209) 2.874 2.785 ( -2.456 2.442 -1.336) 3.712 2.799 ( 0.299 -1.371 0.336) 1.443 2.994 ( -6.375 5.015 -1.926) 8.337 3.167 ( 0.219 -0.644 0.940) 1.160 3.226 ( 7.792 -2.033 0.614) 8.076 3.387 ( -0.686 -1.719 -0.188) 1.861 3.511 ( 0.493 -7.217 3.679) 8.116 3.606 ( -1.643 -3.822 -2.328) 4.767 3.720 ( 1.002 0.030 0.933) 1.369 3.751 ( 1.633 1.270 -4.496) 4.949 3.921 ( -4.568 -2.424 3.145) 6.052 3.960 ( -4.298 -3.274 0.912) 5.479 4.148 ( -1.821 3.011 1.390) 3.784 4.280 ( -1.818 1.015 -1.861) 2.793 4.376 ( -0.658 2.277 1.624) 2.873 4.456 ( 0.189 -2.053 -6.258) 6.589 4.568 ( -1.701 1.237 2.554) 3.308 4.685 ( -1.470 -1.292 -0.206) 1.968 4.837 ( 1.033 -3.739 0.141) 3.882 4.902 ( -0.089 -3.416 0.700) 3.488 5.112 ( -0.683 -0.691 -1.260) 1.591 5.149 ( -0.297 0.528 -0.711) 0.934 5.448 ( 0.247 0.499 0.722) 0.912 5.512 ( 0.313 -1.129 0.913) 1.486 ======================= Grid point 31 (20/112) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 5.014 0.000) 5.014 1.005 ( 0.000 7.172 -0.000) 7.172 1.206 ( -0.000 3.019 -0.000) 3.019 1.223 ( 0.000 3.861 0.000) 3.861 1.243 ( 0.000 4.650 0.000) 4.650 1.371 ( 0.000 3.058 -0.000) 3.058 1.374 ( 0.000 -0.566 0.000) 0.566 1.514 ( 0.000 0.369 -0.000) 0.369 1.654 ( 0.000 -1.410 0.000) 1.410 1.709 ( 0.000 0.906 0.000) 0.906 1.827 ( 0.000 6.570 0.000) 6.570 1.935 ( 0.000 -1.135 -0.000) 1.135 2.229 ( -0.000 -4.176 -0.000) 4.176 2.277 ( 0.000 3.354 0.000) 3.354 2.291 ( -0.000 -2.209 -0.000) 2.209 2.519 ( 0.000 -1.088 0.000) 1.088 2.632 ( -0.000 -5.715 -0.000) 5.715 2.700 ( -0.000 3.701 0.000) 3.701 2.757 ( 0.000 1.207 -0.000) 1.207 2.774 ( -0.000 4.170 0.000) 4.170 2.912 ( 0.000 2.720 0.000) 2.720 3.170 ( 0.000 0.235 0.000) 0.235 3.321 ( 0.000 -3.080 0.000) 3.080 3.383 ( 0.000 -5.844 -0.000) 5.844 3.551 ( 0.000 -12.619 0.000) 12.619 3.555 ( -0.000 -7.952 -0.000) 7.952 3.747 ( 0.000 -5.355 0.000) 5.355 3.777 ( 0.000 1.768 0.000) 1.768 3.875 ( -0.000 2.028 0.000) 2.028 3.899 ( 0.000 5.674 0.000) 5.674 4.123 ( 0.000 4.260 0.000) 4.260 4.242 ( 0.000 4.538 0.000) 4.538 4.394 ( 0.000 0.771 -0.000) 0.771 4.429 ( 0.000 -2.205 0.000) 2.205 4.559 ( 0.000 1.048 0.000) 1.048 4.661 ( 0.000 -1.465 0.000) 1.465 4.855 ( 0.000 -4.041 0.000) 4.041 4.898 ( 0.000 -3.289 0.000) 3.289 5.101 ( 0.000 -1.466 0.000) 1.466 5.143 ( 0.000 1.045 0.000) 1.045 5.453 ( 0.000 0.900 0.000) 0.900 5.518 ( 0.000 -0.850 -0.000) 0.850 ======================= Grid point 35 (21/112) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 -6.766 0.000) 6.766 1.082 ( 0.000 -7.934 0.000) 7.934 1.125 ( 0.000 3.481 0.000) 3.481 1.294 ( 0.000 -3.313 0.000) 3.313 1.340 ( 0.000 7.640 0.000) 7.640 1.392 ( 0.000 3.347 0.000) 3.347 1.466 ( 0.000 -2.055 0.000) 2.055 1.622 ( 0.000 1.703 0.000) 1.703 1.652 ( 0.000 -2.224 0.000) 2.224 1.703 ( 0.000 -7.794 0.000) 7.794 1.708 ( 0.000 -4.127 0.000) 4.127 1.757 ( 0.000 -5.961 0.000) 5.961 2.015 ( 0.000 2.974 0.000) 2.974 2.051 ( 0.000 -0.023 0.000) 0.023 2.473 ( 0.000 6.691 0.000) 6.691 2.510 ( 0.000 5.754 0.000) 5.754 2.617 ( 0.000 0.183 0.000) 0.183 2.647 ( 0.000 4.276 0.000) 4.276 2.709 ( 0.000 3.721 0.000) 3.721 2.910 ( 0.000 -1.534 0.000) 1.534 3.068 ( 0.000 5.243 0.000) 5.243 3.074 ( 0.000 0.880 0.000) 0.880 3.436 ( 0.000 8.402 0.000) 8.402 3.522 ( 0.000 0.816 0.000) 0.816 3.608 ( 0.000 2.499 0.000) 2.499 3.658 ( 0.000 5.961 0.000) 5.961 3.709 ( 0.000 2.687 0.000) 2.687 3.785 ( 0.000 -4.783 0.000) 4.783 3.850 ( 0.000 -4.166 0.000) 4.166 4.001 ( 0.000 -9.527 0.000) 9.527 4.086 ( 0.000 -2.567 0.000) 2.567 4.161 ( 0.000 -6.096 0.000) 6.096 4.469 ( 0.000 0.564 0.000) 0.564 4.495 ( 0.000 -1.280 0.000) 1.280 4.646 ( 0.000 1.020 0.000) 1.020 4.663 ( 0.000 -0.374 0.000) 0.374 4.779 ( 0.000 -2.990 0.000) 2.990 4.788 ( 0.000 -2.160 0.000) 2.160 5.162 ( 0.000 1.151 0.000) 1.151 5.205 ( 0.000 0.657 0.000) 0.657 5.423 ( 0.000 -0.239 0.000) 0.239 5.445 ( 0.000 -1.534 0.000) 1.534 ======================= Grid point 36 (22/112) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.696 -3.388 0.228) 3.466 1.132 ( 0.713 2.696 -0.669) 2.868 1.177 ( 5.514 -8.279 0.049) 9.947 1.255 ( -2.473 -0.203 -1.373) 2.836 1.347 ( -0.036 7.022 1.727) 7.231 1.369 ( -1.098 1.226 -0.684) 1.782 1.478 ( 0.314 -2.353 0.123) 2.377 1.557 ( -3.700 1.643 -0.849) 4.136 1.688 ( 0.548 -1.508 2.047) 2.600 1.704 ( 3.699 -1.431 -0.085) 3.967 1.734 ( -2.868 -5.143 1.165) 6.003 1.853 ( 9.139 -7.598 -0.261) 11.888 2.010 ( 0.826 3.822 -0.061) 3.911 2.099 ( 3.273 -0.922 -0.947) 3.530 2.424 ( -3.269 6.259 1.821) 7.293 2.505 ( -1.811 3.443 2.028) 4.387 2.640 ( -0.134 2.378 0.912) 2.551 2.667 ( 2.939 1.247 -1.444) 3.504 2.717 ( 0.837 2.412 0.542) 2.610 2.898 ( -1.386 -3.272 -1.457) 3.840 3.047 ( -0.958 2.527 -2.062) 3.399 3.105 ( 2.733 2.316 0.847) 3.681 3.380 ( -4.480 7.876 1.609) 9.202 3.476 ( -4.621 1.191 0.936) 4.863 3.514 ( -6.274 2.464 -1.691) 6.949 3.658 ( -5.037 -1.895 -0.630) 5.418 3.723 ( -0.342 -0.102 -1.955) 1.988 3.731 ( 2.052 0.925 -2.373) 3.270 3.879 ( 1.092 -2.180 2.230) 3.304 3.958 ( -3.599 -5.804 2.043) 7.128 4.100 ( 0.661 -3.427 3.773) 5.139 4.194 ( 2.018 -5.978 0.182) 6.312 4.455 ( -0.156 1.180 -3.864) 4.043 4.478 ( -0.123 -0.436 -4.066) 4.091 4.630 ( -1.301 2.066 2.008) 3.162 4.683 ( 0.284 -0.416 1.488) 1.571 4.770 ( 0.319 -1.756 -0.968) 2.031 4.815 ( 0.973 -3.105 1.733) 3.686 5.146 ( -0.907 0.706 -1.882) 2.206 5.179 ( -1.048 0.228 -2.672) 2.880 5.436 ( 0.790 0.176 1.317) 1.546 5.467 ( 1.020 -1.129 2.203) 2.677 ======================= Grid point 37 (23/112) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 2.430 1.674 0.871) 3.077 1.139 ( 0.025 2.327 -1.663) 2.860 1.214 ( 0.238 2.341 -0.663) 2.444 1.281 ( 3.748 -5.531 -0.266) 6.686 1.335 ( -1.558 1.185 -1.263) 2.330 1.355 ( -0.836 5.000 3.216) 6.003 1.455 ( -2.886 -0.183 -2.122) 3.586 1.507 ( 0.237 0.972 0.800) 1.281 1.646 ( -4.110 -2.535 0.587) 4.865 1.702 ( -0.502 -2.528 1.749) 3.115 1.828 ( 6.828 0.945 -0.364) 6.903 1.987 ( 0.977 2.888 0.779) 3.147 2.083 ( 6.423 -3.239 -0.023) 7.194 2.161 ( 3.849 -2.169 -0.574) 4.455 2.371 ( -3.242 2.436 1.052) 4.190 2.446 ( -4.124 -1.906 1.211) 4.702 2.634 ( -1.247 2.849 2.129) 3.769 2.702 ( 0.776 0.132 0.203) 0.813 2.763 ( 2.816 0.104 1.151) 3.044 2.844 ( -1.780 -0.087 -2.222) 2.848 3.023 ( -0.571 1.166 -2.883) 3.162 3.152 ( 0.720 -0.757 -0.813) 1.324 3.317 ( -1.119 6.192 0.623) 6.323 3.373 ( -4.126 -1.150 1.863) 4.671 3.401 ( -3.970 -0.264 0.203) 3.984 3.500 ( -7.325 -4.670 -1.074) 8.753 3.658 ( -3.089 -4.828 -1.866) 6.028 3.759 ( -0.621 -4.162 -2.800) 5.055 3.919 ( 0.364 2.476 3.815) 4.563 3.952 ( 3.407 3.697 0.369) 5.041 4.138 ( 0.323 -3.219 5.622) 6.486 4.219 ( 0.640 -5.423 -2.408) 5.968 4.439 ( 0.492 2.916 -2.249) 3.715 4.458 ( 0.453 1.260 -4.040) 4.256 4.609 ( -1.706 2.469 1.905) 3.554 4.674 ( -1.454 -0.324 -0.051) 1.491 4.786 ( 1.246 -0.963 0.146) 1.582 4.835 ( 0.212 -2.715 0.739) 2.822 5.113 ( -0.804 0.594 -2.020) 2.254 5.154 ( -0.388 -0.531 -1.107) 1.287 5.461 ( 0.705 0.722 1.165) 1.542 5.495 ( 0.532 -0.732 1.452) 1.711 ======================= Grid point 38 (24/112) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 4.100 0.000) 4.100 1.115 ( -0.000 3.731 -0.000) 3.731 1.262 ( -0.000 2.352 0.000) 2.352 1.265 ( 0.000 0.136 0.000) 0.136 1.327 ( 0.000 -2.276 0.000) 2.276 1.364 ( 0.000 5.692 0.000) 5.692 1.402 ( -0.000 -0.766 -0.000) 0.766 1.519 ( 0.000 0.620 0.000) 0.620 1.599 ( 0.000 -3.072 0.000) 3.072 1.700 ( 0.000 -2.733 0.000) 2.733 1.938 ( -0.000 2.521 0.000) 2.521 1.964 ( 0.000 5.963 -0.000) 5.963 2.151 ( 0.000 -2.856 0.000) 2.856 2.267 ( 0.000 0.622 0.000) 0.622 2.288 ( -0.000 -2.532 0.000) 2.532 2.397 ( 0.000 -7.555 0.000) 7.555 2.618 ( 0.000 2.447 0.000) 2.447 2.713 ( 0.000 -1.137 0.000) 1.137 2.803 ( 0.000 2.382 -0.000) 2.382 2.828 ( 0.000 1.042 0.000) 1.042 2.986 ( 0.000 4.296 0.000) 4.296 3.164 ( 0.000 -2.750 0.000) 2.750 3.305 ( 0.000 -1.650 -0.000) 1.650 3.341 ( -0.000 1.921 0.000) 1.921 3.362 ( 0.000 -2.522 0.000) 2.522 3.406 ( -0.000 -5.320 -0.000) 5.320 3.615 ( 0.000 -6.075 0.000) 6.075 3.734 ( -0.000 -6.024 0.000) 6.024 3.927 ( 0.000 4.497 0.000) 4.497 4.016 ( 0.000 4.383 0.000) 4.383 4.161 ( 0.000 -0.979 -0.000) 0.979 4.209 ( 0.000 -5.605 0.000) 5.605 4.439 ( 0.000 3.422 -0.000) 3.422 4.456 ( 0.000 3.014 0.000) 3.014 4.594 ( 0.000 1.954 0.000) 1.954 4.649 ( 0.000 -0.474 0.000) 0.474 4.806 ( 0.000 -0.920 0.000) 0.920 4.836 ( 0.000 -2.091 0.000) 2.091 5.099 ( 0.000 0.624 0.000) 0.624 5.147 ( 0.000 -0.710 0.000) 0.710 5.472 ( 0.000 0.897 0.000) 0.897 5.504 ( 0.000 -0.628 0.000) 0.628 ======================= Grid point 42 (25/112) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 -0.412 0.000) 0.412 0.976 ( 0.000 0.412 0.000) 0.412 1.211 ( 0.000 -4.463 0.000) 4.463 1.211 ( 0.000 4.463 0.000) 4.463 1.431 ( 0.000 -1.363 0.000) 1.363 1.431 ( 0.000 1.363 0.000) 1.363 1.516 ( 0.000 -8.903 0.000) 8.903 1.516 ( 0.000 8.903 0.000) 8.903 1.633 ( 0.000 -0.461 0.000) 0.461 1.633 ( 0.000 0.461 0.000) 0.461 1.685 ( 0.000 -1.442 0.000) 1.442 1.685 ( 0.000 1.442 0.000) 1.442 2.052 ( 0.000 -0.506 0.000) 0.506 2.052 ( 0.000 0.506 0.000) 0.506 2.551 ( 0.000 -1.105 0.000) 1.105 2.551 ( 0.000 1.105 0.000) 1.105 2.670 ( 0.000 -2.481 0.000) 2.481 2.670 ( 0.000 2.481 0.000) 2.481 2.808 ( 0.000 -5.607 0.000) 5.607 2.808 ( 0.000 5.607 0.000) 5.607 3.120 ( 0.000 -0.347 0.000) 0.347 3.120 ( 0.000 0.347 0.000) 0.347 3.550 ( 0.000 -0.251 0.000) 0.251 3.550 ( 0.000 0.251 0.000) 0.251 3.671 ( 0.000 -3.843 0.000) 3.843 3.671 ( 0.000 3.843 0.000) 3.843 3.726 ( 0.000 -2.810 0.000) 2.810 3.726 ( 0.000 2.810 0.000) 2.810 3.853 ( 0.000 -4.120 0.000) 4.120 3.853 ( 0.000 4.120 0.000) 4.120 4.066 ( 0.000 -1.909 0.000) 1.909 4.066 ( 0.000 1.909 0.000) 1.909 4.478 ( 0.000 -0.460 0.000) 0.460 4.478 ( 0.000 0.460 0.000) 0.460 4.660 ( 0.000 -0.255 0.000) 0.255 4.660 ( 0.000 0.255 0.000) 0.255 4.755 ( 0.000 -0.555 0.000) 0.555 4.755 ( 0.000 0.555 0.000) 0.555 5.192 ( 0.000 -1.464 0.000) 1.464 5.192 ( 0.000 1.464 0.000) 1.464 5.425 ( 0.000 -0.489 0.000) 0.489 5.425 ( 0.000 0.489 0.000) 0.489 ======================= Grid point 44 (26/112) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.542 -4.127 0.683) 5.482 1.018 ( 3.542 4.127 0.683) 5.482 1.208 ( 0.107 -3.367 -0.790) 3.460 1.208 ( 0.107 3.367 -0.790) 3.460 1.408 ( -1.804 -2.043 0.840) 2.852 1.408 ( -1.804 2.043 0.840) 2.852 1.511 ( -0.217 -6.015 -1.027) 6.106 1.511 ( -0.217 6.015 -1.027) 6.106 1.674 ( -1.017 -1.333 1.771) 2.439 1.674 ( -1.017 1.333 1.771) 2.439 1.728 ( 7.293 -3.494 -0.082) 8.087 1.728 ( 7.293 3.494 -0.082) 8.087 2.072 ( 1.818 -2.016 -0.326) 2.734 2.072 ( 1.818 2.016 -0.326) 2.734 2.518 ( -3.871 -2.254 2.697) 5.228 2.518 ( -3.871 2.254 2.697) 5.228 2.676 ( 0.939 -1.130 -1.287) 1.953 2.676 ( 0.939 1.130 -1.287) 1.953 2.797 ( -0.917 -5.058 0.047) 5.141 2.797 ( -0.917 5.058 0.047) 5.141 3.109 ( -0.506 -2.379 -1.252) 2.735 3.109 ( -0.506 2.379 -1.252) 2.735 3.496 ( -4.984 -2.840 1.037) 5.829 3.496 ( -4.984 2.840 1.037) 5.829 3.576 ( -6.721 -3.835 -0.889) 7.789 3.576 ( -6.721 3.835 -0.889) 7.789 3.713 ( -1.782 -2.361 -2.539) 3.898 3.713 ( -1.782 2.361 -2.539) 3.898 3.899 ( 3.400 -2.233 2.747) 4.909 3.899 ( 3.400 2.233 2.747) 4.909 4.082 ( 0.952 -3.299 1.335) 3.684 4.082 ( 0.952 3.299 1.335) 3.684 4.471 ( 0.515 -0.431 -3.669) 3.730 4.471 ( 0.515 0.431 -3.669) 3.730 4.668 ( -0.222 -1.373 1.884) 2.342 4.668 ( -0.222 1.373 1.884) 2.342 4.767 ( 0.933 -1.373 0.471) 1.726 4.767 ( 0.933 1.373 0.471) 1.726 5.167 ( -1.187 -1.069 -2.748) 3.179 5.167 ( -1.187 1.069 -2.748) 3.179 5.447 ( 1.126 -0.827 2.069) 2.496 5.447 ( 1.126 0.827 2.069) 2.496 ======================= Grid point 46 (27/112) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 3.915 -4.639 0.838) 6.128 1.110 ( 3.915 4.639 0.838) 6.128 1.219 ( 1.830 -0.972 -0.926) 2.270 1.219 ( 1.830 0.972 -0.926) 2.270 1.373 ( -2.071 -2.631 0.766) 3.435 1.373 ( -2.071 2.631 0.766) 3.435 1.497 ( -0.637 -3.761 -0.675) 3.873 1.497 ( -0.637 3.761 -0.675) 3.873 1.641 ( -2.468 -2.643 1.569) 3.942 1.641 ( -2.468 2.643 1.569) 3.942 1.909 ( 8.669 -6.051 -0.298) 10.576 1.909 ( 8.669 6.051 -0.298) 10.576 2.114 ( 2.229 -2.972 -0.137) 3.717 2.114 ( 2.229 2.972 -0.137) 3.717 2.416 ( -6.656 -1.696 1.346) 7.000 2.416 ( -6.656 1.696 1.346) 7.000 2.684 ( -0.725 -1.793 1.445) 2.414 2.684 ( -0.725 1.793 1.445) 2.414 2.797 ( 1.760 -2.927 -0.430) 3.442 2.797 ( 1.760 2.927 -0.430) 3.442 3.096 ( 0.063 -4.649 -2.135) 5.117 3.096 ( 0.063 4.649 -2.135) 5.117 3.356 ( -7.081 -2.243 -0.543) 7.448 3.356 ( -7.081 2.243 -0.543) 7.448 3.458 ( -3.962 -3.074 0.820) 5.081 3.458 ( -3.962 3.074 0.820) 5.081 3.636 ( -3.539 -5.084 -1.539) 6.382 3.636 ( -3.539 5.084 -1.539) 6.382 3.992 ( 3.159 -2.802 2.239) 4.779 3.992 ( 3.159 2.802 2.239) 4.779 4.112 ( 1.290 -3.573 0.621) 3.849 4.112 ( 1.290 3.573 0.621) 3.849 4.472 ( 1.422 -0.303 -2.881) 3.227 4.472 ( 1.422 0.303 -2.881) 3.227 4.654 ( -1.709 -1.718 0.745) 2.535 4.654 ( -1.709 1.718 0.745) 2.535 4.793 ( 1.105 -1.401 0.553) 1.868 4.793 ( 1.105 1.401 0.553) 1.868 5.133 ( -0.655 -1.233 -1.745) 2.235 5.133 ( -0.655 1.233 -1.745) 2.235 5.478 ( 0.722 -0.910 1.448) 1.856 5.478 ( 0.722 0.910 1.448) 1.856 ======================= Grid point 48 (28/112) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 -0.724 0.000) 0.724 1.153 ( 0.000 0.724 0.000) 0.724 1.262 ( -0.000 -0.905 0.000) 0.905 1.262 ( 0.000 0.905 0.000) 0.905 1.336 ( 0.000 -3.826 -0.000) 3.826 1.336 ( -0.000 3.826 0.000) 3.826 1.485 ( 0.000 -4.959 -0.000) 4.959 1.485 ( 0.000 4.959 0.000) 4.959 1.614 ( 0.000 -4.487 0.000) 4.487 1.614 ( 0.000 4.487 0.000) 4.487 2.014 ( -0.000 -3.110 0.000) 3.110 2.014 ( 0.000 3.110 0.000) 3.110 2.163 ( 0.000 -6.477 -0.000) 6.477 2.163 ( -0.000 6.477 0.000) 6.477 2.311 ( 0.000 -2.641 0.000) 2.641 2.311 ( 0.000 2.641 0.000) 2.641 2.675 ( 0.000 -2.641 0.000) 2.641 2.675 ( 0.000 2.641 0.000) 2.641 2.831 ( 0.000 -0.534 0.000) 0.534 2.831 ( 0.000 0.534 0.000) 0.534 3.085 ( 0.000 -4.715 0.000) 4.715 3.085 ( 0.000 4.715 0.000) 4.715 3.272 ( 0.000 -2.233 0.000) 2.233 3.272 ( 0.000 2.233 0.000) 2.233 3.417 ( 0.000 -2.700 0.000) 2.700 3.417 ( 0.000 2.700 0.000) 2.700 3.588 ( -0.000 -5.995 0.000) 5.995 3.588 ( -0.000 5.995 0.000) 5.995 4.032 ( 0.000 -4.279 -0.000) 4.279 4.032 ( 0.000 4.280 -0.000) 4.280 4.131 ( 0.000 -0.436 0.000) 0.436 4.131 ( 0.000 0.436 0.000) 0.436 4.487 ( 0.000 -0.510 0.000) 0.510 4.487 ( 0.000 0.510 0.000) 0.510 4.629 ( 0.000 -1.436 0.000) 1.436 4.629 ( 0.000 1.436 0.000) 1.436 4.808 ( 0.000 -0.860 0.000) 0.860 4.808 ( 0.000 0.860 0.000) 0.860 5.122 ( 0.000 -1.444 0.000) 1.444 5.122 ( 0.000 1.444 0.000) 1.444 5.490 ( 0.000 -0.797 -0.000) 0.797 5.490 ( 0.000 0.797 0.000) 0.797 ======================= Grid point 91 (29/112) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.174 ( 10.366 0.000 10.825) 14.988 0.260 ( -0.200 0.000 12.695) 12.697 0.522 ( -3.900 0.000 25.197) 25.497 0.730 ( -0.275 0.000 -1.307) 1.336 0.836 ( 2.178 0.000 -5.486) 5.902 1.120 ( 0.129 0.000 0.115) 0.173 1.168 ( 2.155 0.000 3.633) 4.224 1.350 ( -1.873 0.000 -4.025) 4.440 1.374 ( 0.235 0.000 -0.665) 0.706 1.506 ( -0.341 0.000 0.796) 0.866 1.688 ( -0.013 0.000 -0.060) 0.061 1.747 ( -6.322 0.000 1.671) 6.539 1.901 ( -4.701 0.000 -1.150) 4.840 2.042 ( 0.079 0.000 0.080) 0.112 2.087 ( -0.117 0.000 -0.046) 0.126 2.275 ( 0.039 0.000 -1.279) 1.280 2.397 ( -1.549 0.000 -6.984) 7.154 2.547 ( -9.202 0.000 -0.167) 9.204 2.588 ( -1.074 0.000 0.239) 1.100 2.759 ( 0.157 0.000 -1.065) 1.077 3.002 ( -0.656 0.000 -0.034) 0.657 3.257 ( -35.268 0.000 3.963) 35.490 3.278 ( 0.797 0.000 0.708) 1.066 3.547 ( -0.144 0.000 -0.644) 0.660 3.586 ( 0.939 0.000 -2.165) 2.360 3.655 ( -0.125 0.000 0.563) 0.577 3.759 ( 0.244 0.000 -0.304) 0.390 3.789 ( -0.023 0.000 -0.231) 0.233 3.884 ( 4.799 0.000 -0.636) 4.841 4.141 ( -9.414 0.000 2.385) 9.712 4.201 ( -2.437 0.000 0.372) 2.465 4.387 ( -2.114 0.000 -1.296) 2.480 4.492 ( -0.282 0.000 -0.128) 0.310 4.582 ( 0.412 0.000 -2.864) 2.893 4.591 ( 0.270 0.000 0.161) 0.314 4.733 ( 5.436 0.000 3.038) 6.227 4.830 ( -0.623 0.000 0.037) 0.624 5.293 ( 19.343 0.000 1.659) 19.414 5.338 ( 6.732 0.000 2.153) 7.068 5.491 ( 1.222 0.000 -3.001) 3.241 5.571 ( -1.669 0.000 -0.059) 1.670 5.709 ( -0.945 0.000 -0.659) 1.152 ======================= Grid point 92 (30/112) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 10.159 0.000 8.017) 12.941 0.471 ( 9.775 0.000 7.307) 12.204 0.752 ( 13.524 0.000 12.697) 18.550 0.785 ( 5.859 0.000 -1.608) 6.075 0.928 ( 7.332 0.000 -6.342) 9.694 1.156 ( 3.027 0.000 0.045) 3.027 1.250 ( -3.848 0.000 -3.874) 5.460 1.306 ( 6.903 0.000 7.726) 10.361 1.365 ( -0.722 0.000 -0.622) 0.953 1.545 ( 7.310 0.000 -8.165) 10.959 1.647 ( -3.871 0.000 -0.055) 3.872 1.676 ( -1.551 0.000 6.910) 7.081 1.911 ( 5.130 0.000 -0.088) 5.130 1.989 ( -6.788 0.000 -0.114) 6.789 2.000 ( -6.848 0.000 0.170) 6.850 2.107 ( -11.280 0.000 -1.263) 11.350 2.385 ( 2.964 0.000 -6.172) 6.847 2.472 ( 6.052 0.000 -8.075) 10.092 2.669 ( -5.010 0.000 1.999) 5.394 2.802 ( 11.754 0.000 -4.572) 12.612 2.899 ( -19.623 0.000 1.056) 19.652 2.936 ( -3.443 0.000 8.830) 9.477 3.089 ( 1.142 0.000 -0.704) 1.341 3.587 ( -2.291 0.000 1.969) 3.021 3.702 ( 3.388 0.000 0.272) 3.399 3.731 ( 1.435 0.000 0.134) 1.441 3.767 ( 5.371 0.000 -0.361) 5.384 3.780 ( 1.871 0.000 -0.827) 2.045 3.949 ( 0.007 0.000 1.271) 1.271 4.021 ( -4.849 0.000 6.747) 8.309 4.148 ( -1.578 0.000 -1.293) 2.040 4.337 ( -2.301 0.000 -1.206) 2.598 4.473 ( -0.881 0.000 0.105) 0.887 4.587 ( 2.224 0.000 -2.808) 3.582 4.624 ( 2.093 0.000 -0.033) 2.093 4.831 ( 1.521 0.000 -1.887) 2.424 4.864 ( 4.447 0.000 3.147) 5.448 5.283 ( -2.066 0.000 0.145) 2.071 5.420 ( -3.416 0.000 -4.972) 6.032 5.515 ( -2.964 0.000 2.139) 3.655 5.587 ( 2.057 0.000 4.530) 4.975 5.683 ( -1.319 0.000 -2.701) 3.006 ======================= Grid point 93 (31/112) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 8.317 0.000 0.685) 8.345 0.691 ( 7.682 0.000 4.456) 8.881 0.915 ( 5.719 0.000 -1.537) 5.922 0.998 ( -1.237 0.000 -3.827) 4.022 1.050 ( 7.545 0.000 -7.418) 10.581 1.186 ( 4.606 0.000 4.782) 6.639 1.225 ( 2.833 0.000 -0.211) 2.841 1.334 ( -2.284 0.000 -0.198) 2.292 1.503 ( 4.746 0.000 -0.917) 4.834 1.535 ( -5.549 0.000 -0.140) 5.551 1.649 ( 7.006 0.000 3.472) 7.819 1.694 ( -0.411 0.000 4.166) 4.186 1.715 ( -12.720 0.000 -1.420) 12.798 1.842 ( -7.873 0.000 2.374) 8.223 1.989 ( -1.424 0.000 -0.005) 1.424 2.042 ( 5.845 0.000 0.640) 5.880 2.414 ( 2.039 0.000 -4.210) 4.678 2.431 ( -21.375 0.000 0.773) 21.389 2.537 ( -6.021 0.000 1.459) 6.195 2.553 ( 5.651 0.000 -8.001) 9.795 2.834 ( -3.341 0.000 2.908) 4.430 3.199 ( 18.436 0.000 -4.844) 19.062 3.208 ( 8.108 0.000 -0.242) 8.112 3.516 ( -5.543 0.000 5.431) 7.760 3.593 ( -8.046 0.000 0.156) 8.048 3.812 ( 3.582 0.000 -0.350) 3.599 3.814 ( 1.860 0.000 -2.840) 3.395 3.865 ( -6.734 0.000 3.262) 7.483 3.902 ( 4.242 0.000 0.264) 4.250 4.030 ( 0.486 0.000 4.731) 4.756 4.143 ( 1.088 0.000 0.384) 1.153 4.280 ( -2.141 0.000 -0.558) 2.212 4.463 ( -0.312 0.000 0.129) 0.338 4.636 ( 3.707 0.000 -4.594) 5.903 4.663 ( 1.476 0.000 -0.091) 1.479 4.817 ( -0.701 0.000 -6.676) 6.713 4.968 ( 2.765 0.000 4.219) 5.044 5.254 ( -0.487 0.000 0.084) 0.495 5.307 ( -4.379 0.000 -3.971) 5.911 5.469 ( -2.515 0.000 3.827) 4.579 5.622 ( -2.300 0.000 -3.392) 4.099 5.657 ( 1.434 0.000 6.237) 6.400 ======================= Grid point 94 (32/112) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -10.266 0.000 -10.074) 14.383 0.786 ( -2.073 0.000 0.232) 2.086 0.829 ( 4.587 0.000 -1.568) 4.848 0.954 ( 0.551 0.000 0.450) 0.711 1.138 ( 3.864 0.000 -9.613) 10.361 1.258 ( -0.770 0.000 -0.280) 0.819 1.292 ( 0.356 0.000 0.120) 0.376 1.312 ( 1.204 0.000 5.138) 5.277 1.481 ( -0.583 0.000 0.069) 0.587 1.487 ( -5.369 0.000 -3.950) 6.665 1.569 ( 1.529 0.000 -1.711) 2.295 1.614 ( -5.175 0.000 0.291) 5.183 1.751 ( -0.787 0.000 5.231) 5.290 1.896 ( 6.863 0.000 12.733) 14.465 2.035 ( 1.321 0.000 -0.110) 1.326 2.112 ( -0.727 0.000 1.067) 1.291 2.128 ( -1.315 0.000 1.128) 1.732 2.400 ( -0.294 0.000 -2.989) 3.003 2.514 ( 2.724 0.000 1.265) 3.004 2.617 ( 3.995 0.000 -6.546) 7.668 2.790 ( -1.073 0.000 1.049) 1.501 3.375 ( 0.646 0.000 -0.131) 0.660 3.429 ( -0.561 0.000 0.214) 0.601 3.444 ( -3.397 0.000 4.446) 5.595 3.533 ( 14.792 0.000 -1.410) 14.859 3.729 ( -6.793 0.000 3.269) 7.539 3.838 ( 1.699 0.000 -3.889) 4.244 3.849 ( 0.035 0.000 -0.386) 0.387 3.947 ( 0.042 0.000 0.382) 0.384 4.058 ( -0.916 0.000 5.917) 5.987 4.169 ( 0.189 0.000 2.690) 2.697 4.277 ( 2.153 0.000 1.614) 2.690 4.458 ( -0.148 0.000 -0.078) 0.167 4.664 ( 1.309 0.000 -8.495) 8.595 4.679 ( 0.061 0.000 0.005) 0.062 4.737 ( -1.723 0.000 -9.221) 9.380 5.009 ( -1.245 0.000 4.001) 4.190 5.184 ( -4.060 0.000 -5.857) 7.126 5.281 ( 0.995 0.000 3.821) 3.948 5.449 ( -1.268 0.000 1.735) 2.149 5.565 ( -0.884 0.000 -1.595) 1.823 5.713 ( 0.774 0.000 4.560) 4.625 ======================= Grid point 95 (33/112) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -12.840 0.000 -5.852) 14.110 0.630 ( -11.176 0.000 2.733) 11.505 0.896 ( 1.716 0.000 -2.864) 3.339 0.936 ( -4.692 0.000 -0.576) 4.727 1.056 ( -11.013 0.000 -0.739) 11.037 1.216 ( -2.365 0.000 -0.475) 2.412 1.237 ( -9.030 0.000 -5.734) 10.696 1.322 ( 2.077 0.000 -0.428) 2.121 1.367 ( 2.655 0.000 3.655) 4.518 1.506 ( -6.012 0.000 -1.682) 6.243 1.535 ( 5.821 0.000 -0.109) 5.822 1.729 ( 12.647 0.000 -1.016) 12.688 1.853 ( 5.816 0.000 3.463) 6.769 1.997 ( -3.916 0.000 9.132) 9.936 2.004 ( 1.611 0.000 0.235) 1.628 2.056 ( -2.606 0.000 -0.036) 2.606 2.414 ( 2.764 0.000 -2.586) 3.785 2.426 ( 21.257 0.000 0.687) 21.268 2.567 ( -0.131 0.000 0.007) 0.131 2.664 ( 4.137 0.000 -4.222) 5.911 2.797 ( 0.638 0.000 -0.271) 0.693 3.212 ( -8.102 0.000 -0.157) 8.103 3.436 ( 1.634 0.000 -0.227) 1.649 3.592 ( 7.991 0.000 0.131) 7.992 3.643 ( -2.144 0.000 3.286) 3.923 3.800 ( 9.449 0.000 2.361) 9.740 3.809 ( -3.544 0.000 -0.393) 3.565 3.849 ( 1.074 0.000 -3.295) 3.466 3.907 ( -4.176 0.000 0.356) 4.192 4.059 ( -1.351 0.000 9.863) 9.955 4.197 ( 1.087 0.000 3.459) 3.626 4.372 ( 4.389 0.000 5.476) 7.018 4.459 ( 0.384 0.000 0.051) 0.388 4.574 ( -1.778 0.000 -15.628) 15.729 4.663 ( -1.553 0.000 -0.073) 1.555 4.683 ( -0.266 0.000 -7.882) 7.887 4.949 ( -6.270 0.000 2.914) 6.914 5.063 ( -5.147 0.000 -2.949) 5.932 5.327 ( 0.602 0.000 4.571) 4.610 5.434 ( 0.708 0.000 -2.150) 2.264 5.578 ( 1.358 0.000 1.237) 1.837 5.735 ( -0.278 0.000 2.097) 2.115 ======================= Grid point 96 (34/112) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( -10.356 0.000 1.569) 10.474 0.388 ( -13.298 0.000 6.782) 14.928 0.699 ( -21.029 0.000 14.034) 25.282 0.806 ( -5.791 0.000 -0.669) 5.829 0.872 ( -1.393 0.000 -4.668) 4.871 1.149 ( -0.305 0.000 -1.514) 1.545 1.151 ( -2.856 0.000 -0.125) 2.859 1.360 ( 1.465 0.000 -0.695) 1.622 1.386 ( -1.981 0.000 -4.726) 5.124 1.458 ( 3.623 0.000 1.549) 3.940 1.648 ( 3.881 0.000 -0.036) 3.881 1.871 ( -7.143 0.000 5.208) 8.840 1.976 ( -1.141 0.000 -2.557) 2.800 1.982 ( 7.142 0.000 -0.278) 7.147 2.027 ( 2.960 0.000 1.231) 3.206 2.125 ( 10.788 0.000 -0.827) 10.819 2.467 ( 3.033 0.000 -5.137) 5.966 2.510 ( -2.740 0.000 -1.645) 3.195 2.729 ( 2.542 0.000 -0.789) 2.662 2.773 ( -3.413 0.000 -1.178) 3.611 2.910 ( 21.356 0.000 1.400) 21.402 3.078 ( -3.159 0.000 -1.049) 3.329 3.491 ( 4.023 0.000 -4.788) 6.254 3.693 ( 4.157 0.000 2.937) 5.090 3.695 ( -3.630 0.000 0.152) 3.633 3.729 ( -1.116 0.000 -0.114) 1.122 3.778 ( -5.412 0.000 0.045) 5.412 3.826 ( -2.612 0.000 -7.721) 8.150 3.848 ( -3.435 0.000 0.603) 3.488 4.197 ( 3.005 0.000 2.900) 4.176 4.289 ( 8.084 0.000 4.127) 9.076 4.447 ( -1.434 0.000 -10.803) 10.898 4.477 ( 1.141 0.000 0.181) 1.155 4.515 ( 5.186 0.000 7.953) 9.494 4.609 ( -2.263 0.000 -7.569) 7.900 4.619 ( -2.275 0.000 -0.129) 2.279 4.830 ( -4.140 0.000 7.538) 8.600 4.946 ( -4.988 0.000 4.315) 6.595 5.343 ( -0.910 0.000 3.053) 3.186 5.463 ( 2.484 0.000 -2.087) 3.244 5.597 ( -0.374 0.000 0.414) 0.557 5.730 ( -0.687 0.000 0.089) 0.693 ======================= Grid point 97 (35/112) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -2.018 11.390 6.525) 13.281 0.411 ( 4.473 15.369 2.962) 16.278 0.781 ( -1.096 18.894 9.009) 20.960 0.840 ( 0.529 2.448 -4.612) 5.249 0.939 ( 1.354 11.396 -1.846) 11.624 1.191 ( 3.896 3.112 5.646) 7.533 1.227 ( -2.547 6.995 -0.377) 7.454 1.362 ( 0.646 4.185 -3.293) 5.364 1.473 ( 0.878 7.422 -0.748) 7.511 1.510 ( 1.228 3.090 1.644) 3.710 1.680 ( -3.790 -0.564 -0.477) 3.861 1.742 ( -6.185 1.853 0.932) 6.523 1.860 ( -0.099 0.141 4.329) 4.333 2.040 ( -0.891 -0.315 -1.271) 1.584 2.085 ( 1.991 0.062 0.489) 2.051 2.398 ( 0.519 1.934 -8.501) 8.734 2.490 ( 2.024 3.808 -1.820) 4.681 2.535 ( -2.832 -1.630 -1.788) 3.725 2.661 ( 2.588 -1.818 -4.403) 5.421 2.795 ( 6.528 8.974 -2.128) 11.299 3.020 ( -7.175 2.192 4.870) 8.945 3.299 ( 2.511 0.519 0.813) 2.690 3.384 ( -2.375 -7.700 -2.770) 8.521 3.499 ( -2.782 0.838 -5.999) 6.666 3.602 ( -2.163 0.820 -2.987) 3.778 3.688 ( -5.279 3.842 -2.061) 6.846 3.746 ( 2.695 -1.206 0.192) 2.959 3.836 ( -0.698 4.250 -0.551) 4.342 3.895 ( 3.418 1.081 -0.154) 3.588 4.160 ( -4.719 -2.772 0.810) 5.532 4.201 ( -7.376 4.471 -4.250) 9.615 4.395 ( 0.556 0.522 -2.145) 2.276 4.469 ( -1.099 -4.435 2.470) 5.194 4.535 ( -2.841 -1.156 -1.201) 3.294 4.614 ( 1.096 1.839 -1.197) 2.453 4.732 ( 5.257 0.444 2.234) 5.729 4.814 ( -0.699 -1.379 0.114) 1.550 5.093 ( 12.742 -9.903 14.767) 21.875 5.298 ( -1.691 -3.143 1.618) 3.918 5.451 ( 1.729 -3.609 -2.692) 4.823 5.542 ( -1.760 -2.354 -0.541) 2.988 5.686 ( -0.947 -2.199 -0.739) 2.505 ======================= Grid point 98 (36/112) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 7.489 4.219 7.906) 11.679 0.559 ( 7.196 7.237 5.861) 11.769 0.862 ( 4.328 3.706 -4.976) 7.565 0.926 ( 7.680 11.949 5.344) 15.176 0.980 ( 4.796 6.787 -4.464) 9.433 1.187 ( -1.202 3.131 0.011) 3.354 1.306 ( -1.345 3.762 2.966) 4.976 1.375 ( 4.793 7.121 3.143) 9.141 1.455 ( -0.795 7.170 -1.999) 7.486 1.519 ( -0.703 0.331 -4.110) 4.183 1.621 ( 1.962 -0.965 4.301) 4.825 1.721 ( 0.023 3.559 1.561) 3.886 1.954 ( 4.753 3.193 1.073) 5.826 1.985 ( -1.971 1.126 -0.617) 2.352 2.065 ( -3.731 2.414 -0.487) 4.471 2.369 ( -4.417 5.985 -4.038) 8.464 2.424 ( -2.631 5.855 -5.248) 8.291 2.511 ( 1.683 2.550 -4.975) 5.839 2.670 ( -6.742 -1.664 -0.112) 6.945 2.827 ( -3.017 5.083 0.272) 5.917 2.936 ( 3.110 2.558 3.486) 5.326 3.035 ( -13.608 7.886 -2.321) 15.898 3.298 ( -1.946 15.252 -5.904) 16.470 3.517 ( 4.390 -5.068 -1.789) 6.939 3.631 ( 4.245 -7.827 0.694) 8.931 3.690 ( -0.600 -0.989 3.147) 3.353 3.777 ( 0.096 2.436 -0.785) 2.561 3.829 ( 1.210 2.403 -0.967) 2.859 3.947 ( -0.538 -0.726 1.528) 1.775 4.031 ( -4.527 0.895 4.892) 6.725 4.131 ( -0.726 -0.817 -3.033) 3.224 4.346 ( -3.633 0.311 -1.075) 3.801 4.477 ( -0.585 0.222 0.794) 1.010 4.487 ( 0.897 -7.898 -1.307) 8.056 4.648 ( 2.026 1.668 -0.333) 2.645 4.812 ( 1.051 -1.710 -2.280) 3.038 4.859 ( 4.553 -0.299 3.267) 5.611 5.249 ( -1.920 -3.723 1.347) 4.400 5.300 ( 0.101 -9.898 2.594) 10.233 5.490 ( -2.215 -2.062 0.895) 3.156 5.504 ( 3.301 -4.830 1.094) 5.951 5.656 ( -1.406 -2.190 -1.670) 3.092 ======================= Grid point 99 (37/112) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 6.765 -0.617 2.270) 7.162 0.780 ( 9.892 5.095 2.701) 11.450 0.946 ( 4.570 1.996 -4.100) 6.456 1.018 ( -2.553 2.030 0.129) 3.264 1.074 ( 4.808 3.090 -6.151) 8.397 1.181 ( 1.728 1.146 1.471) 2.542 1.259 ( -2.124 1.349 -1.096) 2.744 1.388 ( -1.524 -2.753 0.979) 3.296 1.468 ( -0.723 7.013 0.568) 7.073 1.553 ( 3.051 5.090 -0.583) 5.963 1.687 ( 0.970 0.173 3.843) 3.967 1.774 ( 3.895 6.571 5.908) 9.657 1.898 ( -5.310 5.028 1.153) 7.403 1.938 ( -5.889 7.519 -2.574) 9.891 2.079 ( 3.023 6.731 0.208) 7.382 2.151 ( -6.683 15.892 0.611) 17.251 2.423 ( 0.648 1.562 -4.302) 4.622 2.467 ( -8.253 4.704 1.167) 9.571 2.544 ( 3.703 -0.109 -6.050) 7.094 2.649 ( -11.883 8.312 1.679) 14.599 2.845 ( -2.365 1.045 2.592) 3.661 3.193 ( 12.372 -0.087 -1.426) 12.454 3.325 ( 6.516 7.324 -4.927) 10.972 3.518 ( -3.680 1.927 3.722) 5.578 3.661 ( -1.619 4.029 -0.434) 4.364 3.716 ( 1.200 -5.037 0.149) 5.180 3.789 ( 2.308 -4.190 0.838) 4.856 3.830 ( -3.167 -3.178 1.213) 4.648 3.887 ( -1.494 0.600 -0.856) 1.823 4.037 ( 0.288 -0.672 4.083) 4.148 4.131 ( 1.523 -1.499 -1.280) 2.491 4.264 ( -2.947 -1.891 -0.698) 3.570 4.466 ( -0.562 0.308 0.849) 1.063 4.520 ( 2.412 -7.911 -3.043) 8.813 4.682 ( 1.138 -0.338 -0.570) 1.317 4.799 ( -0.152 -1.250 -5.980) 6.112 4.957 ( 2.521 -0.963 3.861) 4.711 5.219 ( -0.769 -3.377 0.157) 3.467 5.256 ( -3.221 -5.007 -1.484) 6.136 5.450 ( -1.873 -1.348 2.563) 3.449 5.565 ( -0.063 -5.858 -0.791) 5.912 5.627 ( 0.202 -1.869 2.620) 3.225 ======================= Grid point 100 (38/112) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.576 -1.588 1.305) 2.589 0.815 ( -9.655 3.378 -6.468) 12.103 0.892 ( -3.675 1.131 -3.823) 5.422 1.006 ( 3.896 5.234 1.207) 6.636 1.143 ( 1.870 -7.249 -1.381) 7.613 1.148 ( 1.764 1.619 -9.649) 9.941 1.297 ( 1.905 1.689 3.794) 4.569 1.401 ( 0.616 0.249 2.290) 2.384 1.458 ( -0.388 8.370 1.945) 8.602 1.545 ( -1.689 4.655 -1.356) 5.134 1.673 ( -3.441 3.161 1.107) 4.802 1.795 ( -5.990 10.162 -0.461) 11.805 1.820 ( 2.161 8.778 3.214) 9.594 1.961 ( 4.332 4.248 4.664) 7.653 2.076 ( 0.189 8.604 2.682) 9.015 2.137 ( 0.080 4.208 1.299) 4.405 2.350 ( -0.024 17.348 0.742) 17.364 2.424 ( 0.055 2.189 -3.081) 3.780 2.547 ( 0.231 2.130 2.339) 3.172 2.596 ( 4.447 -0.412 -6.177) 7.623 2.816 ( -1.166 2.143 1.187) 2.713 3.308 ( -1.031 -4.372 2.045) 4.936 3.471 ( -1.682 2.696 2.328) 3.939 3.516 ( 9.550 5.211 -3.755) 11.509 3.638 ( 2.791 8.531 1.848) 9.164 3.717 ( -5.373 -1.227 3.675) 6.624 3.741 ( -0.100 -6.427 -0.785) 6.475 3.841 ( -0.003 -1.556 -3.676) 3.992 3.870 ( 0.086 -5.611 0.425) 5.627 4.054 ( -0.441 -1.479 3.865) 4.161 4.164 ( 1.429 -1.533 1.151) 2.391 4.252 ( 2.206 -3.010 0.711) 3.799 4.457 ( -0.812 -0.068 0.681) 1.061 4.542 ( 1.337 -7.454 -3.976) 8.553 4.669 ( -1.197 -2.634 -5.191) 5.943 4.756 ( -0.441 0.917 -5.104) 5.204 4.996 ( -0.966 -1.302 3.852) 4.180 5.157 ( -3.583 -2.813 -5.218) 6.927 5.240 ( 0.812 -3.761 3.752) 5.374 5.433 ( -1.187 -1.580 0.876) 2.162 5.529 ( -0.605 -3.470 -1.275) 3.746 5.674 ( 1.140 -3.301 3.994) 5.305 ======================= Grid point 101 (39/112) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -11.768 4.555 -1.427) 12.699 0.625 ( -10.885 1.501 1.816) 11.137 0.880 ( 1.661 -0.260 -2.837) 3.297 1.027 ( -3.376 6.296 -2.449) 7.552 1.074 ( -2.214 2.702 -2.490) 4.290 1.233 ( 4.009 -2.369 -3.759) 5.985 1.313 ( -0.258 4.816 -0.675) 4.870 1.353 ( -7.829 8.499 2.918) 11.918 1.462 ( -1.416 5.381 -0.475) 5.584 1.518 ( -1.125 3.449 -0.265) 3.637 1.589 ( -1.233 4.527 3.633) 5.934 1.791 ( 6.526 2.625 0.742) 7.073 1.929 ( 4.535 4.991 1.520) 6.913 2.014 ( -1.455 4.020 4.427) 6.154 2.109 ( -3.197 4.502 -0.696) 5.566 2.137 ( 5.449 12.236 0.918) 13.426 2.429 ( 3.656 2.698 -1.686) 4.847 2.509 ( 9.514 6.192 0.474) 11.362 2.564 ( 1.124 -0.338 -2.430) 2.698 2.682 ( 5.501 2.145 -0.662) 5.941 2.808 ( 0.555 2.433 -0.357) 2.521 3.242 ( -4.830 0.998 0.979) 5.028 3.453 ( 0.244 1.508 -0.579) 1.633 3.609 ( -0.047 -0.998 0.635) 1.184 3.678 ( 0.535 -0.100 1.069) 1.199 3.685 ( -1.285 -3.175 1.984) 3.958 3.766 ( -3.867 -7.556 -1.182) 8.570 3.820 ( 6.763 1.439 1.432) 7.062 3.877 ( 0.148 -0.992 -1.868) 2.120 4.090 ( 2.592 0.126 3.955) 4.731 4.203 ( 1.487 -0.142 2.221) 2.677 4.345 ( 5.023 -3.419 2.835) 6.705 4.447 ( -0.255 -1.200 1.219) 1.730 4.530 ( -0.003 -4.355 -5.055) 6.672 4.601 ( -0.992 -1.085 -8.247) 8.377 4.721 ( -1.211 0.763 -2.881) 3.216 4.952 ( -5.043 0.041 3.062) 5.900 5.042 ( -4.962 -2.047 -3.223) 6.260 5.285 ( 0.909 -3.929 4.217) 5.835 5.413 ( 0.347 -2.087 -2.199) 3.051 5.543 ( 1.187 -3.111 1.166) 3.528 5.704 ( 0.161 -2.910 1.911) 3.485 ======================= Grid point 102 (40/112) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -4.925 9.469 4.172) 11.460 0.437 ( -7.145 10.451 3.442) 13.119 0.863 ( -2.855 2.202 0.750) 3.682 0.911 ( -6.031 11.025 -4.725) 13.426 0.971 ( -6.646 14.243 4.416) 16.326 1.151 ( -2.727 3.695 0.361) 4.607 1.289 ( -1.904 8.909 0.006) 9.110 1.347 ( 1.810 -1.190 -1.470) 2.618 1.432 ( 1.803 0.177 -2.217) 2.863 1.497 ( -0.105 9.099 -0.276) 9.104 1.652 ( 2.715 0.291 2.939) 4.012 1.886 ( -4.990 0.882 6.319) 8.100 1.972 ( -7.378 1.010 -0.668) 7.477 1.988 ( 4.660 0.751 0.199) 4.724 2.032 ( 1.858 1.506 -1.587) 2.870 2.338 ( 10.649 11.323 -4.219) 16.106 2.492 ( 1.048 2.296 -5.601) 6.144 2.525 ( 2.198 3.021 -0.738) 3.808 2.677 ( 4.126 -2.438 0.676) 4.840 2.698 ( -3.391 -3.371 -1.696) 5.073 2.992 ( 13.394 4.779 1.817) 14.337 3.154 ( -2.490 4.830 1.082) 5.541 3.463 ( 0.292 -3.892 -3.448) 5.208 3.574 ( -2.594 -6.680 -1.879) 7.408 3.633 ( -3.704 -7.149 0.774) 8.089 3.673 ( 1.517 -2.881 1.449) 3.564 3.800 ( 4.276 4.142 0.265) 5.959 3.860 ( -3.417 0.206 -1.510) 3.742 3.863 ( -0.121 1.487 -1.634) 2.212 4.183 ( 1.288 -1.694 1.315) 2.502 4.288 ( 6.453 -0.766 0.159) 6.500 4.422 ( -2.152 -4.698 -4.712) 6.994 4.459 ( 1.626 -2.739 2.553) 4.082 4.550 ( 1.878 1.634 -5.735) 6.252 4.564 ( 5.041 2.844 4.957) 7.621 4.668 ( -2.338 1.172 -4.143) 4.900 4.846 ( -4.883 1.109 4.312) 6.608 4.931 ( -4.781 -1.157 4.874) 6.925 5.310 ( -0.601 -3.376 3.294) 4.755 5.428 ( 1.859 -3.061 -2.481) 4.357 5.562 ( -0.074 -3.097 0.347) 3.117 5.705 ( -0.552 -2.408 0.167) 2.476 ======================= Grid point 103 (41/112) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.127 13.478 2.542) 13.762 0.732 ( 0.949 15.021 -0.963) 15.081 0.921 ( 1.403 5.699 -4.135) 7.179 1.088 ( 1.300 9.412 -7.246) 11.949 1.172 ( -2.308 8.919 2.420) 9.526 1.310 ( -1.706 2.553 1.227) 3.307 1.359 ( 1.882 14.104 6.036) 15.457 1.479 ( 4.044 4.380 -0.026) 5.961 1.577 ( 1.550 5.502 1.613) 5.940 1.675 ( -6.780 0.876 0.854) 6.889 1.708 ( -1.435 10.168 -0.986) 10.316 1.820 ( -0.993 6.115 -0.279) 6.202 1.886 ( 0.944 2.967 5.619) 6.424 2.026 ( -2.167 -1.129 -1.753) 3.008 2.073 ( 3.305 -1.552 0.828) 3.744 2.435 ( 0.950 1.969 -5.792) 6.191 2.509 ( -1.115 -3.000 -1.564) 3.562 2.557 ( 1.132 -1.812 -0.417) 2.177 2.604 ( -0.759 5.835 -3.323) 6.758 2.927 ( 1.848 4.420 4.370) 6.484 3.035 ( -1.554 -7.364 1.810) 7.741 3.223 ( -0.924 -9.533 -0.445) 9.588 3.253 ( 0.195 1.530 -2.857) 3.247 3.449 ( 2.379 -0.527 1.683) 2.962 3.579 ( -2.541 -5.542 -1.671) 6.322 3.660 ( 5.395 -3.046 -5.432) 8.239 3.762 ( -0.908 -0.764 0.958) 1.525 3.911 ( 1.075 1.617 -0.307) 1.965 3.946 ( 0.034 4.264 0.061) 4.265 4.119 ( -3.094 -0.488 -0.302) 3.146 4.259 ( -1.041 -0.085 -1.786) 2.069 4.356 ( -1.683 -2.067 -1.043) 2.862 4.434 ( -2.450 1.656 -2.059) 3.603 4.526 ( -2.433 -1.698 -0.856) 3.088 4.648 ( 2.241 1.416 1.264) 2.937 4.751 ( 2.140 -0.291 -0.033) 2.160 4.803 ( -0.781 2.069 1.219) 2.525 4.980 ( 4.310 -1.928 8.795) 9.982 5.197 ( -1.438 -6.686 1.368) 6.975 5.352 ( 1.203 -5.850 -1.839) 6.249 5.491 ( -0.652 -2.211 -0.790) 2.437 5.627 ( -0.778 -3.338 -0.517) 3.466 ======================= Grid point 104 (42/112) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.419 11.618 3.643) 12.258 0.746 ( 2.297 10.095 2.387) 10.625 0.944 ( 3.064 5.315 -4.606) 7.672 1.118 ( 2.209 4.293 -4.450) 6.566 1.139 ( -0.648 7.981 0.246) 8.011 1.262 ( -2.125 4.151 -0.051) 4.664 1.411 ( -2.406 3.674 0.530) 4.423 1.459 ( -7.456 3.944 -1.624) 8.590 1.604 ( 6.805 8.019 2.966) 10.928 1.626 ( 0.468 4.750 5.752) 7.475 1.709 ( -0.137 11.570 -1.003) 11.614 1.810 ( 0.561 5.777 3.807) 6.942 1.958 ( -1.274 -1.957 -0.548) 2.399 2.058 ( 6.052 3.220 0.523) 6.875 2.097 ( 1.132 1.319 -0.582) 1.833 2.434 ( 1.956 3.004 -5.506) 6.570 2.512 ( 1.305 1.130 -1.226) 2.117 2.578 ( 0.497 4.329 -1.275) 4.541 2.616 ( 2.494 -1.279 -2.982) 4.093 2.893 ( -7.347 3.097 6.644) 10.379 3.007 ( -3.468 -1.256 1.974) 4.184 3.126 ( -1.520 0.991 -2.056) 2.742 3.327 ( 3.844 -5.908 -1.279) 7.163 3.466 ( -1.332 -4.872 0.428) 5.069 3.558 ( 4.980 1.155 -5.731) 7.680 3.714 ( -0.314 0.371 0.333) 0.589 3.773 ( 0.959 -1.970 -0.232) 2.204 3.912 ( -0.730 3.893 0.899) 4.062 3.930 ( -2.298 1.339 1.519) 3.063 4.032 ( -4.028 -0.591 -0.155) 4.074 4.160 ( -4.614 3.181 -4.778) 7.364 4.320 ( -2.559 -4.740 1.652) 5.634 4.347 ( -3.115 -1.507 -3.206) 4.718 4.496 ( -0.112 0.623 1.421) 1.555 4.667 ( -0.531 -0.200 0.650) 0.863 4.779 ( 1.107 -0.920 -1.983) 2.450 4.862 ( 3.402 0.624 3.344) 4.811 5.101 ( 2.447 -6.718 4.970) 8.708 5.162 ( -2.061 -6.096 0.026) 6.436 5.375 ( 1.439 -7.142 -0.292) 7.291 5.465 ( -1.218 -1.050 -0.500) 1.684 5.604 ( -1.001 -2.681 -0.717) 2.950 ======================= Grid point 105 (43/112) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 2.814 5.439 1.763) 6.373 0.895 ( 8.366 6.239 1.859) 10.601 0.982 ( 1.764 2.013 -2.739) 3.830 1.054 ( -4.998 0.441 -1.121) 5.141 1.147 ( -1.639 3.587 -2.035) 4.438 1.238 ( -0.189 3.519 -5.514) 6.544 1.273 ( -3.553 3.389 4.530) 6.680 1.419 ( -0.045 4.895 0.323) 4.906 1.648 ( -1.968 2.654 3.341) 4.699 1.662 ( -0.998 7.551 -0.971) 7.678 1.730 ( 1.907 5.415 2.283) 6.179 1.876 ( 0.523 2.528 5.103) 5.719 1.951 ( 2.001 3.944 0.311) 4.433 2.067 ( 1.231 5.586 -4.080) 7.026 2.210 ( 4.059 5.822 1.153) 7.191 2.439 ( -1.365 5.708 -1.982) 6.195 2.510 ( -2.105 7.030 -3.348) 8.066 2.554 ( -2.555 2.697 1.267) 3.926 2.599 ( 2.064 5.702 -1.763) 6.315 2.814 ( -3.746 5.945 2.902) 7.602 2.879 ( -5.692 2.594 1.969) 6.558 3.208 ( 4.912 1.657 1.421) 5.375 3.351 ( 3.862 -2.280 -3.006) 5.399 3.560 ( 5.859 -8.812 -0.032) 10.582 3.627 ( 3.169 -1.109 -3.010) 4.509 3.670 ( -1.563 5.731 1.522) 6.132 3.767 ( -2.278 -1.511 0.585) 2.795 3.858 ( -3.592 3.661 -0.195) 5.133 3.912 ( -0.420 2.813 1.818) 3.375 3.978 ( -1.548 -3.823 0.383) 4.142 4.070 ( -1.472 -3.982 -3.286) 5.368 4.211 ( -4.973 -2.620 0.099) 5.622 4.348 ( 1.614 -6.100 -3.078) 7.021 4.505 ( -0.265 1.136 1.956) 2.278 4.648 ( -1.240 -2.219 -0.102) 2.544 4.782 ( 0.430 -0.513 -3.298) 3.365 4.933 ( 1.376 -1.282 3.505) 3.977 5.119 ( -1.426 -6.468 -1.807) 6.865 5.138 ( -0.194 -4.751 2.432) 5.341 5.385 ( -0.642 -7.916 -0.427) 7.953 5.451 ( -0.051 -1.723 0.464) 1.785 5.587 ( -0.304 -2.018 0.825) 2.201 ======================= Grid point 106 (44/112) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.584 2.064 2.028) 2.952 0.877 ( -4.299 -0.780 -2.476) 5.022 0.915 ( -6.065 6.219 -3.971) 9.552 1.061 ( 3.285 0.601 -4.125) 5.308 1.140 ( 3.899 5.642 1.578) 7.037 1.217 ( 0.853 5.106 -6.779) 8.529 1.323 ( 2.753 1.195 8.876) 9.370 1.434 ( 0.839 2.567 1.103) 2.917 1.574 ( -3.524 2.644 1.115) 4.545 1.676 ( 0.795 6.412 -0.567) 6.486 1.744 ( -1.056 2.723 3.159) 4.302 1.890 ( -0.357 1.805 2.046) 2.752 1.956 ( -1.947 6.810 -1.602) 7.261 2.107 ( 3.018 7.062 -1.526) 7.830 2.257 ( -0.035 6.430 1.378) 6.576 2.360 ( -1.932 13.653 2.705) 14.052 2.488 ( 0.867 4.084 -3.254) 5.294 2.556 ( 0.706 1.215 -1.392) 1.977 2.646 ( 1.055 3.735 -0.101) 3.883 2.727 ( -0.560 15.064 -0.017) 15.075 2.849 ( -0.685 0.485 2.170) 2.327 3.239 ( -0.681 -2.193 2.342) 3.280 3.517 ( 6.658 2.341 -1.590) 7.235 3.574 ( 1.549 -0.470 -0.948) 1.876 3.606 ( -3.795 -5.199 0.405) 6.450 3.655 ( -5.640 -3.993 2.423) 7.323 3.761 ( -1.834 0.029 -1.991) 2.707 3.818 ( 3.196 2.442 -1.127) 4.177 3.915 ( -0.271 9.223 2.772) 9.634 3.969 ( 1.407 -6.477 -0.243) 6.633 4.076 ( 3.431 -7.560 -1.703) 8.475 4.159 ( 0.472 -4.820 1.683) 5.127 4.352 ( 0.448 -6.397 -3.905) 7.508 4.510 ( 0.587 0.156 0.037) 0.609 4.620 ( -1.229 -0.861 -0.237) 1.519 4.762 ( -0.681 -0.230 -3.033) 3.117 4.955 ( -1.106 -2.650 3.297) 4.372 5.078 ( -1.301 -4.547 -3.955) 6.165 5.148 ( 0.113 -4.278 3.117) 5.294 5.356 ( -1.133 -7.084 -1.967) 7.438 5.458 ( 0.423 -1.895 1.016) 2.191 5.604 ( 0.820 -3.218 2.106) 3.932 ======================= Grid point 107 (45/112) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -5.016 7.658 0.297) 9.159 0.772 ( -6.057 9.977 2.952) 12.039 0.903 ( 2.699 2.604 -2.394) 4.450 1.092 ( 2.819 1.655 -5.290) 6.219 1.193 ( 2.723 0.580 -4.702) 5.464 1.217 ( 0.002 8.539 1.208) 8.624 1.408 ( 2.340 3.996 0.814) 4.702 1.483 ( 1.937 2.185 5.458) 6.190 1.531 ( -2.314 3.521 0.481) 4.241 1.661 ( -1.776 8.727 -1.600) 9.048 1.767 ( -2.835 8.882 3.226) 9.866 1.800 ( -1.382 0.010 3.212) 3.496 1.972 ( 2.324 1.942 -1.305) 3.298 2.116 ( -2.475 4.081 0.437) 4.793 2.214 ( -5.100 5.076 0.098) 7.196 2.412 ( 4.216 8.589 -2.238) 9.826 2.524 ( 5.117 5.568 -0.311) 7.568 2.555 ( 0.976 4.544 -1.037) 4.762 2.636 ( -0.881 3.445 -0.069) 3.557 2.758 ( -1.252 3.359 0.217) 3.591 2.889 ( 5.188 4.573 1.560) 7.089 3.239 ( -0.708 -0.559 1.784) 1.999 3.446 ( -7.893 -4.687 1.123) 9.248 3.528 ( 0.178 -2.886 -1.566) 3.288 3.541 ( -6.084 -7.776 -0.371) 9.880 3.660 ( -3.564 0.001 -2.491) 4.348 3.728 ( 6.171 -0.123 -0.042) 6.173 3.867 ( 1.137 -0.784 -0.365) 1.428 3.934 ( 0.170 7.325 2.706) 7.811 4.041 ( 5.080 -3.696 -0.742) 6.326 4.165 ( 4.417 -3.913 -0.768) 5.951 4.256 ( 6.679 -3.438 3.955) 8.489 4.333 ( 0.301 -5.646 -3.840) 6.834 4.538 ( 2.965 -1.729 -5.514) 6.495 4.600 ( -1.155 3.697 4.653) 6.053 4.722 ( -1.552 -0.323 -2.711) 3.140 4.932 ( -2.627 -2.361 3.782) 5.175 5.004 ( -3.742 -0.728 -4.301) 5.747 5.178 ( 0.774 -6.087 3.364) 6.998 5.335 ( 0.439 -5.845 -2.251) 6.279 5.479 ( 0.837 -2.423 0.992) 2.749 5.630 ( 0.587 -3.991 1.289) 4.235 ======================= Grid point 108 (46/112) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 1.247 13.452 -1.310) 13.573 0.712 ( -1.611 14.266 5.339) 15.317 0.920 ( 0.746 4.391 -2.805) 5.264 1.108 ( 1.924 7.720 -7.218) 10.743 1.198 ( -1.746 7.552 2.154) 8.045 1.276 ( 5.149 -1.154 -0.769) 5.333 1.413 ( -9.330 15.899 3.131) 18.698 1.464 ( -1.510 3.608 -0.225) 3.917 1.495 ( 4.172 8.336 -1.297) 9.412 1.649 ( 1.847 1.717 5.214) 5.792 1.735 ( 0.153 10.394 0.473) 10.406 1.875 ( -1.040 -1.368 4.505) 4.821 1.974 ( -0.150 -2.152 0.319) 2.181 2.044 ( -9.314 5.079 0.097) 10.610 2.066 ( -0.714 1.362 -2.364) 2.820 2.442 ( 1.600 2.045 -5.415) 6.006 2.534 ( -0.617 2.391 0.053) 2.470 2.595 ( -2.945 -2.873 -0.690) 4.172 2.663 ( -2.481 3.997 -2.743) 5.445 2.774 ( 9.584 9.643 2.471) 13.818 3.013 ( 3.625 -4.053 1.646) 5.681 3.210 ( -2.096 -2.190 2.081) 3.677 3.330 ( -3.321 -4.984 -2.227) 6.390 3.436 ( -2.598 -5.647 1.792) 6.469 3.564 ( 3.618 -1.153 -2.864) 4.757 3.610 ( 0.597 -3.288 -3.116) 4.569 3.797 ( -0.124 -2.902 -0.162) 2.910 3.886 ( 1.068 0.905 -0.331) 1.439 3.937 ( 0.042 4.751 0.593) 4.788 4.133 ( 2.176 -2.486 0.716) 3.380 4.237 ( 2.982 -2.995 -1.008) 4.345 4.342 ( 2.135 -2.798 -2.298) 4.204 4.431 ( 6.214 0.378 4.231) 7.527 4.529 ( 0.200 -1.818 -6.891) 7.130 4.641 ( -0.968 0.761 4.474) 4.640 4.693 ( 2.553 2.263 -1.764) 3.840 4.872 ( -4.983 1.770 0.148) 5.290 4.916 ( -2.173 0.414 4.035) 4.602 5.203 ( -0.165 -6.824 2.660) 7.326 5.341 ( 0.996 -5.562 -2.199) 6.063 5.496 ( 0.378 -2.782 0.008) 2.808 5.639 ( -0.161 -3.833 0.232) 3.844 ======================= Grid point 109 (47/112) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.070 10.823 4.022) 11.595 1.001 ( -0.718 10.971 -2.688) 11.318 1.055 ( 1.858 6.730 -4.506) 8.310 1.219 ( -1.974 3.707 -2.980) 5.150 1.289 ( 0.507 2.286 -0.593) 2.415 1.348 ( 1.246 3.090 0.085) 3.333 1.491 ( 0.147 1.315 -1.434) 1.951 1.561 ( -4.609 -4.297 -0.344) 6.311 1.698 ( 2.648 3.638 2.826) 5.314 1.766 ( -0.521 11.917 2.897) 12.275 1.841 ( 1.144 4.414 1.235) 4.724 1.932 ( 0.608 4.134 2.483) 4.860 1.985 ( -2.003 -2.249 1.212) 3.246 2.007 ( 1.600 -2.750 1.514) 3.523 2.079 ( -0.803 11.066 -0.402) 11.103 2.382 ( -0.738 -6.504 -2.477) 6.999 2.497 ( 0.957 3.831 -2.797) 4.839 2.605 ( 0.607 3.505 1.495) 3.858 2.752 ( -1.617 7.945 -1.335) 8.217 2.825 ( 0.306 -7.874 1.001) 7.943 2.909 ( -0.410 -10.404 1.171) 10.478 3.116 ( 1.149 4.726 -0.231) 4.869 3.296 ( 0.178 -1.783 -1.878) 2.596 3.446 ( -3.696 -2.802 0.983) 4.741 3.483 ( 3.499 1.970 1.456) 4.271 3.608 ( 2.358 -1.750 -4.123) 5.062 3.693 ( 0.569 -4.445 1.214) 4.643 3.918 ( 1.202 -0.874 -0.536) 1.580 4.007 ( -0.173 0.846 0.926) 1.266 4.132 ( -1.408 0.958 0.471) 1.767 4.256 ( 0.172 0.550 0.105) 0.586 4.317 ( 0.897 -3.275 -1.015) 3.544 4.462 ( -0.108 -2.902 -3.317) 4.409 4.474 ( -5.127 0.404 -3.496) 6.218 4.663 ( 1.724 0.245 3.866) 4.241 4.730 ( 1.012 -1.034 0.721) 1.617 4.848 ( -1.031 0.712 2.634) 2.917 5.002 ( 0.785 0.875 0.475) 1.268 5.054 ( -0.523 -4.004 0.633) 4.087 5.228 ( 0.696 -5.718 -1.432) 5.935 5.457 ( -0.028 -1.220 -0.279) 1.251 5.560 ( -0.249 -3.000 0.486) 3.049 ======================= Grid point 110 (48/112) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.259 11.960 1.463) 12.052 0.936 ( -1.507 8.067 1.163) 8.288 1.075 ( 1.671 6.833 -3.617) 7.909 1.142 ( -4.677 -0.674 -1.372) 4.921 1.273 ( -0.733 4.945 -2.478) 5.580 1.335 ( -0.885 2.802 -1.269) 3.201 1.440 ( -3.891 0.528 0.019) 3.927 1.525 ( -0.723 1.370 0.110) 1.553 1.743 ( -2.271 6.853 3.361) 7.963 1.756 ( -0.351 2.645 1.392) 3.010 1.886 ( -4.423 -0.314 0.907) 4.526 1.918 ( 6.750 5.688 -0.690) 8.854 1.953 ( -2.431 4.166 3.509) 5.965 2.104 ( 6.557 -1.604 1.920) 7.018 2.128 ( 4.210 7.064 -1.196) 8.310 2.436 ( 5.503 -4.266 -2.634) 7.444 2.529 ( 3.343 2.907 -1.427) 4.654 2.627 ( 0.245 2.596 1.754) 3.143 2.710 ( -0.986 6.935 -3.271) 7.731 2.868 ( 2.723 -7.870 0.844) 8.370 2.968 ( -1.285 1.688 3.119) 3.772 3.097 ( 4.197 -1.017 -0.792) 4.391 3.262 ( -2.030 -2.246 -1.007) 3.190 3.383 ( -2.166 -2.291 1.073) 3.330 3.566 ( 2.785 -0.672 -1.101) 3.069 3.632 ( 2.879 -3.603 -2.398) 5.198 3.736 ( 1.271 -3.052 2.049) 3.890 3.892 ( -3.506 -2.396 0.682) 4.301 4.009 ( -0.504 1.560 1.779) 2.419 4.065 ( -4.567 2.778 -0.654) 5.385 4.201 ( -4.837 0.372 -2.397) 5.411 4.279 ( -3.492 1.087 -1.165) 3.838 4.338 ( -3.974 -0.200 -4.227) 5.806 4.473 ( 1.298 -2.933 0.428) 3.236 4.652 ( -2.527 -0.487 2.254) 3.422 4.760 ( 0.400 -1.788 0.162) 1.839 4.871 ( 1.155 -0.202 3.418) 3.613 5.013 ( -0.366 -5.287 0.200) 5.304 5.062 ( 1.275 0.045 0.010) 1.276 5.225 ( -0.310 -6.917 -1.462) 7.077 5.451 ( -0.342 -0.328 -0.124) 0.490 5.555 ( -0.435 -1.999 0.433) 2.091 ======================= Grid point 111 (49/112) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.204 8.342 -0.741) 8.461 0.999 ( -5.162 1.572 -0.751) 5.449 1.040 ( 5.705 5.730 5.895) 10.007 1.098 ( 1.220 4.451 -5.942) 7.523 1.226 ( -3.510 4.458 -0.956) 5.754 1.304 ( -0.818 2.743 -2.061) 3.527 1.377 ( -2.293 4.709 3.288) 6.184 1.501 ( -0.839 2.249 -0.660) 2.490 1.703 ( -3.535 2.724 3.684) 5.787 1.727 ( -2.848 1.091 0.694) 3.128 1.801 ( -2.473 0.442 1.480) 2.916 1.937 ( 0.292 2.274 0.909) 2.466 2.072 ( 5.358 7.103 -1.863) 9.090 2.173 ( 2.545 4.932 -1.498) 5.748 2.265 ( 5.706 -0.769 0.268) 5.764 2.521 ( 4.225 3.040 -3.260) 6.142 2.582 ( -0.918 1.086 0.397) 1.476 2.617 ( -1.068 3.395 1.173) 3.747 2.693 ( 1.616 2.212 -3.203) 4.215 2.863 ( -5.458 2.443 4.310) 7.371 2.907 ( -0.277 -1.450 0.515) 1.563 3.214 ( -1.602 -2.120 1.171) 2.904 3.343 ( 13.268 -3.762 -0.128) 13.792 3.407 ( 5.133 -0.789 -0.523) 5.219 3.570 ( -1.062 -3.377 -1.656) 3.908 3.682 ( 1.700 -1.463 -1.578) 2.743 3.768 ( 1.393 -4.171 2.014) 4.837 3.812 ( -3.517 -6.859 0.943) 7.766 3.945 ( -6.385 5.320 0.519) 8.328 3.995 ( -2.348 3.088 1.237) 4.071 4.085 ( -3.042 2.848 -3.680) 5.560 4.160 ( -6.515 -1.322 2.353) 7.052 4.290 ( 1.017 0.017 -6.846) 6.922 4.498 ( 0.297 -1.267 1.545) 2.020 4.614 ( -1.849 -1.115 1.806) 2.815 4.751 ( -1.063 -3.005 0.591) 3.242 4.916 ( 1.279 -0.865 2.529) 2.963 4.988 ( -1.732 -5.387 -0.438) 5.676 5.094 ( 1.499 0.242 -0.260) 1.541 5.202 ( -0.802 -8.293 -1.733) 8.510 5.444 ( -0.281 0.223 0.177) 0.401 5.549 ( -0.317 -1.611 0.423) 1.695 ======================= Grid point 112 (50/112) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.670 6.093 -0.101) 6.131 0.908 ( -0.991 4.077 -0.346) 4.210 1.060 ( -2.794 7.393 -3.815) 8.776 1.120 ( -0.854 4.473 -2.987) 5.446 1.231 ( 4.349 3.444 2.248) 5.986 1.309 ( 2.966 1.946 1.777) 3.968 1.370 ( -1.067 4.205 5.054) 6.661 1.492 ( 0.339 2.433 -0.341) 2.480 1.626 ( -2.741 2.926 1.013) 4.135 1.730 ( 1.587 -0.913 1.199) 2.189 1.768 ( -1.876 1.161 1.386) 2.605 1.930 ( -1.640 0.901 0.321) 1.898 2.125 ( 0.754 9.182 -2.145) 9.459 2.199 ( 1.647 2.046 -4.606) 5.302 2.333 ( 0.187 -0.148 0.567) 0.615 2.518 ( -2.680 2.461 0.857) 3.738 2.594 ( 2.111 6.201 -1.866) 6.811 2.622 ( 3.374 4.891 -1.330) 6.089 2.701 ( -1.278 0.339 -0.040) 1.323 2.814 ( -2.277 -1.592 3.628) 4.570 2.896 ( 0.227 1.499 0.930) 1.779 3.203 ( 0.112 -1.967 0.900) 2.165 3.459 ( -1.131 -7.954 1.562) 8.185 3.492 ( -3.029 -5.622 -0.727) 6.427 3.623 ( 2.435 4.586 -3.279) 6.141 3.676 ( 2.824 4.002 -1.186) 5.039 3.758 ( -0.673 -5.654 -1.176) 5.815 3.787 ( -4.983 -2.099 0.675) 5.449 3.877 ( 0.694 -4.800 4.346) 6.512 3.921 ( 1.176 -2.025 0.200) 2.350 4.054 ( 0.657 4.877 -2.136) 5.365 4.135 ( 2.967 3.259 4.575) 6.353 4.273 ( 0.646 -1.712 -7.130) 7.361 4.500 ( 0.357 0.191 -2.606) 2.637 4.606 ( -0.649 -1.763 4.963) 5.307 4.736 ( -0.702 -2.705 0.734) 2.890 4.924 ( -1.951 -0.256 0.612) 2.060 4.966 ( 0.802 -5.753 -0.311) 5.817 5.111 ( -0.003 0.425 -0.244) 0.490 5.187 ( 0.487 -7.640 -1.600) 7.820 5.442 ( -0.029 -0.191 0.318) 0.372 5.548 ( -0.001 -2.259 0.441) 2.302 ======================= Grid point 113 (51/112) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 1.221 11.097 -0.811) 11.194 0.970 ( 4.514 3.303 -1.512) 5.795 0.984 ( -3.080 10.319 4.214) 11.564 1.119 ( 3.032 1.819 -3.982) 5.325 1.257 ( 0.922 4.391 -4.194) 6.141 1.364 ( -1.304 5.015 3.209) 6.095 1.453 ( 5.029 -0.398 6.224) 8.012 1.518 ( 1.984 2.253 0.754) 3.095 1.611 ( 0.383 4.058 -1.210) 4.252 1.754 ( 1.869 1.489 0.077) 2.391 1.803 ( 3.868 -1.576 1.531) 4.448 1.865 ( -4.339 2.528 0.463) 5.043 2.084 ( -4.279 5.744 -0.806) 7.208 2.176 ( -2.356 3.069 -3.178) 5.007 2.281 ( -5.010 1.262 0.991) 5.261 2.495 ( 0.598 2.126 -3.052) 3.767 2.599 ( -0.581 4.081 0.340) 4.136 2.632 ( -4.635 -2.488 0.868) 5.332 2.746 ( 6.322 5.612 -3.218) 9.045 2.798 ( 0.762 3.429 4.752) 5.910 2.919 ( -0.250 -1.080 1.491) 1.858 3.227 ( 1.005 -2.014 0.350) 2.278 3.314 ( -10.955 -7.648 -0.732) 13.381 3.404 ( -3.816 -2.097 0.366) 4.370 3.524 ( -2.610 -0.285 -2.120) 3.374 3.660 ( -2.850 -0.338 -3.504) 4.530 3.734 ( -1.020 -2.483 1.397) 3.027 3.833 ( 3.234 0.099 0.547) 3.282 3.940 ( 4.604 -3.779 2.519) 6.467 4.039 ( 2.963 -0.039 1.749) 3.441 4.089 ( 5.506 -1.507 -1.534) 5.911 4.250 ( 1.543 -2.072 -6.690) 7.172 4.289 ( 7.800 5.434 5.107) 10.791 4.497 ( 1.457 -1.260 -5.320) 5.658 4.627 ( -0.717 -1.539 5.871) 6.111 4.721 ( -0.794 -0.652 -0.296) 1.069 4.894 ( -1.087 -0.903 1.975) 2.429 4.979 ( 0.457 -3.867 -1.189) 4.072 5.093 ( -1.290 0.102 0.088) 1.297 5.202 ( 1.382 -5.907 -1.589) 6.272 5.447 ( 0.272 -1.027 0.278) 1.098 5.553 ( 0.221 -3.355 0.415) 3.388 ======================= Grid point 114 (52/112) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.182 11.225 0.874) 11.261 0.984 ( 1.441 11.078 1.204) 11.237 1.035 ( 2.351 6.923 -2.594) 7.758 1.211 ( 5.735 -2.067 -0.301) 6.104 1.253 ( 0.759 5.889 -3.354) 6.820 1.344 ( -1.583 4.413 0.879) 4.770 1.515 ( -0.856 1.950 -0.653) 2.228 1.580 ( 2.336 -1.565 2.109) 3.514 1.640 ( 3.376 4.414 -0.493) 5.579 1.775 ( -1.799 6.045 4.198) 7.576 1.849 ( 0.094 7.074 -0.168) 7.076 1.890 ( 3.710 -4.568 0.356) 5.896 1.941 ( -4.231 2.950 1.132) 5.280 2.089 ( -5.060 2.053 -0.850) 5.526 2.162 ( -5.994 6.258 1.231) 8.752 2.466 ( -2.924 -3.245 -3.792) 5.785 2.522 ( -3.322 -0.097 -0.635) 3.383 2.595 ( -0.338 3.446 0.712) 3.535 2.772 ( -0.006 4.672 0.115) 4.673 2.864 ( -3.912 -6.644 1.795) 7.916 2.952 ( 3.721 5.442 1.961) 6.878 3.067 ( -4.812 -5.092 -2.313) 7.378 3.274 ( 1.501 -4.542 -0.163) 4.786 3.412 ( 2.428 2.569 2.529) 4.346 3.510 ( -0.075 -3.139 -0.450) 3.172 3.576 ( -0.369 0.253 -7.011) 7.025 3.721 ( -1.957 -3.692 1.777) 4.541 3.880 ( 1.601 -1.717 0.619) 2.428 3.997 ( 0.902 0.769 0.149) 1.195 4.109 ( 2.803 -0.015 1.749) 3.304 4.206 ( 4.582 -1.718 -0.816) 4.961 4.275 ( 3.023 -2.889 -2.757) 5.008 4.470 ( 4.260 0.442 1.548) 4.555 4.501 ( 2.881 1.622 -3.396) 4.740 4.613 ( -1.871 -2.567 1.093) 3.360 4.718 ( 0.040 -0.027 1.926) 1.927 4.878 ( -2.169 -0.744 2.241) 3.206 4.984 ( 0.742 1.487 -0.243) 1.679 5.069 ( -1.178 -2.752 0.739) 3.083 5.218 ( 1.033 -5.590 -1.777) 5.956 5.454 ( 0.317 -1.480 -0.023) 1.514 5.559 ( 0.096 -3.717 0.448) 3.746 ======================= Grid point 115 (53/112) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -1.145 6.673 3.396) 7.574 1.149 ( 2.412 1.787 -2.704) 4.040 1.186 ( -2.902 2.651 -1.865) 4.350 1.209 ( 0.803 0.886 -1.596) 1.994 1.302 ( -1.899 -2.274 -0.984) 3.122 1.380 ( -0.114 -0.547 0.728) 0.917 1.513 ( 1.875 0.440 0.837) 2.100 1.532 ( -2.369 3.851 -0.346) 4.534 1.694 ( 0.960 -1.375 0.836) 1.874 1.799 ( 2.278 -5.391 -1.985) 6.180 1.890 ( 0.160 -5.575 2.034) 5.937 1.905 ( 0.544 -3.943 4.352) 5.897 1.975 ( -1.639 2.512 2.074) 3.646 2.065 ( -2.268 2.205 1.227) 3.393 2.282 ( -1.339 5.897 -3.742) 7.112 2.308 ( 3.556 5.061 -3.038) 6.891 2.574 ( 0.112 3.818 0.725) 3.888 2.658 ( 0.480 -0.007 0.130) 0.497 2.700 ( 2.064 -5.145 0.721) 5.590 2.821 ( -1.563 6.826 0.837) 7.053 2.932 ( -1.487 8.365 0.143) 8.497 3.167 ( 0.732 -7.613 -1.352) 7.766 3.265 ( 0.719 7.815 -0.148) 7.850 3.497 ( 2.503 0.240 -1.834) 3.112 3.501 ( -3.428 5.973 0.283) 6.892 3.620 ( -2.969 -1.558 2.837) 4.392 3.644 ( 3.580 3.839 -0.568) 5.280 3.878 ( 1.328 -2.916 0.064) 3.205 3.971 ( -1.202 -4.070 2.287) 4.820 4.130 ( -1.189 -1.548 0.481) 2.010 4.199 ( 4.973 -7.255 0.280) 8.800 4.261 ( -0.051 -2.148 0.159) 2.155 4.399 ( -2.036 -1.690 -5.304) 5.928 4.471 ( -2.924 -1.185 -4.592) 5.571 4.670 ( 0.693 0.506 3.889) 3.982 4.714 ( 0.074 -0.562 2.198) 2.270 4.822 ( -0.842 -3.241 0.121) 3.350 4.905 ( 0.467 -4.293 2.668) 5.076 5.111 ( 0.138 2.450 -3.189) 4.024 5.145 ( -0.634 -1.484 -2.272) 2.787 5.440 ( 0.360 -0.440 0.506) 0.761 5.510 ( 0.481 -1.869 1.890) 2.701 ======================= Grid point 116 (54/112) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.293 4.130 2.633) 4.907 1.099 ( -4.197 -2.804 -0.439) 5.066 1.104 ( -3.687 8.682 -2.936) 9.879 1.210 ( 1.291 6.667 -1.370) 6.928 1.321 ( 2.577 -2.747 -1.330) 3.994 1.365 ( -0.832 0.529 -0.734) 1.230 1.462 ( -3.671 3.410 -0.329) 5.021 1.548 ( -0.700 0.267 2.164) 2.290 1.746 ( -3.283 -2.234 1.029) 4.102 1.757 ( 4.097 -3.144 -0.238) 5.170 1.874 ( -5.627 -4.265 0.614) 7.087 1.946 ( -0.602 3.721 3.314) 5.019 2.023 ( 7.622 -6.538 1.327) 10.129 2.088 ( 3.539 3.529 0.560) 5.029 2.277 ( 1.786 5.353 -1.872) 5.946 2.392 ( 5.979 3.211 -2.920) 7.389 2.589 ( 0.536 2.694 0.830) 2.869 2.661 ( 0.608 0.723 0.323) 0.999 2.760 ( 2.824 -2.817 2.500) 4.707 2.839 ( -2.325 4.704 -2.201) 5.690 2.973 ( 8.147 2.416 -0.290) 8.503 3.134 ( -3.267 -2.905 -1.046) 4.495 3.220 ( -2.820 5.370 0.269) 6.072 3.405 ( -3.268 2.601 -1.358) 4.392 3.540 ( 0.807 0.299 -3.734) 3.832 3.596 ( -0.460 -1.778 5.461) 5.761 3.717 ( 1.809 1.511 0.876) 2.514 3.816 ( -6.207 -4.679 1.124) 7.854 3.987 ( 1.133 -2.808 2.646) 4.022 4.059 ( -4.667 -3.397 -1.614) 5.994 4.226 ( -2.672 1.056 1.741) 3.359 4.287 ( -0.469 -2.668 -0.520) 2.758 4.324 ( -0.123 -0.038 -7.002) 7.003 4.411 ( 0.065 -1.931 -1.662) 2.548 4.659 ( -2.534 1.004 3.661) 4.564 4.722 ( -0.884 -1.257 1.000) 1.833 4.822 ( 0.584 -3.963 0.628) 4.055 4.921 ( -0.283 -3.587 1.802) 4.024 5.097 ( -0.154 0.902 -2.404) 2.572 5.127 ( 0.372 -1.753 -2.300) 2.916 5.450 ( 0.314 0.208 0.370) 0.528 5.525 ( -0.035 -0.984 1.359) 1.678 ======================= Grid point 117 (55/112) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -2.888 7.454 -2.230) 8.299 1.024 ( -1.271 1.492 -0.317) 1.985 1.141 ( 3.802 3.712 3.237) 6.222 1.217 ( 0.140 6.689 -1.549) 6.868 1.318 ( -3.158 2.210 -1.153) 4.023 1.349 ( -0.143 3.264 -1.569) 3.624 1.410 ( -0.762 -1.547 2.399) 2.954 1.529 ( -1.247 0.635 1.108) 1.785 1.697 ( -2.346 -1.260 0.836) 2.791 1.751 ( -4.430 -0.854 0.355) 4.526 1.821 ( 1.284 0.520 -0.546) 1.489 1.951 ( -0.652 1.352 1.696) 2.265 2.167 ( 4.458 1.411 -2.620) 5.360 2.181 ( 5.486 -3.932 1.608) 6.939 2.303 ( 0.286 4.614 -0.363) 4.637 2.514 ( 5.656 -4.226 -1.883) 7.307 2.590 ( -0.350 1.946 0.662) 2.085 2.681 ( 0.630 2.059 0.142) 2.158 2.744 ( -3.684 3.753 -2.478) 5.814 2.846 ( 2.706 -1.839 3.069) 4.486 2.961 ( -6.111 3.194 -0.516) 6.915 3.178 ( 0.273 -1.046 -0.083) 1.084 3.223 ( 6.629 -3.324 -0.866) 7.466 3.376 ( 0.613 -2.322 -0.567) 2.468 3.544 ( 2.493 -2.747 -2.892) 4.704 3.603 ( -1.984 -6.475 4.477) 8.118 3.689 ( -4.101 -2.135 -1.335) 4.812 3.744 ( 0.948 0.056 0.985) 1.368 3.942 ( -5.858 -3.280 -0.841) 6.766 4.035 ( 0.367 0.398 6.283) 6.306 4.158 ( -3.400 4.671 -0.081) 5.778 4.220 ( -1.692 2.697 -3.289) 4.577 4.299 ( 0.374 1.773 -7.434) 7.651 4.461 ( 2.618 -2.568 3.946) 5.387 4.613 ( -3.418 1.248 1.339) 3.877 4.696 ( -1.659 -1.694 1.813) 2.985 4.845 ( 1.006 -4.152 0.521) 4.304 4.911 ( -1.107 -4.128 0.088) 4.275 5.090 ( 0.525 -1.138 -0.740) 1.455 5.128 ( 0.533 0.908 -1.355) 1.716 5.454 ( -0.088 0.647 -0.204) 0.684 5.524 ( -0.424 -0.875 0.161) 0.986 ======================= Grid point 118 (56/112) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.445 5.779 -1.535) 5.995 1.031 ( 1.598 7.016 0.564) 7.218 1.185 ( 0.444 5.202 -5.131) 7.321 1.226 ( -4.457 4.554 1.139) 6.473 1.281 ( 4.864 1.312 5.707) 7.613 1.335 ( -0.289 1.931 -0.217) 1.964 1.425 ( -0.040 -0.278 2.389) 2.406 1.520 ( 0.194 0.566 0.437) 0.741 1.657 ( -0.992 -1.425 0.225) 1.751 1.704 ( -0.369 -0.039 -0.520) 0.639 1.830 ( 0.535 4.437 -1.357) 4.671 1.925 ( -2.340 -0.117 0.423) 2.381 2.195 ( -1.006 -2.075 -3.018) 3.798 2.271 ( 0.939 -0.473 -1.873) 2.148 2.290 ( 1.063 2.494 1.078) 2.917 2.536 ( -1.056 -0.860 1.627) 2.122 2.598 ( -1.754 -6.741 -2.924) 7.554 2.699 ( 2.336 1.956 -1.854) 3.567 2.716 ( 1.690 4.391 -0.879) 4.787 2.845 ( -3.188 3.101 5.274) 6.900 2.917 ( 2.036 2.179 0.484) 3.021 3.167 ( -0.219 -0.779 -0.741) 1.097 3.331 ( 0.103 -3.961 0.820) 4.046 3.362 ( 0.022 -6.423 -1.947) 6.712 3.522 ( -3.754 -9.165 -0.487) 9.916 3.598 ( 1.106 -8.436 1.872) 8.712 3.720 ( 5.622 -3.511 -1.662) 6.833 3.782 ( -1.406 1.750 0.473) 2.294 3.824 ( 0.410 -1.818 -2.288) 2.951 3.990 ( -6.420 7.222 4.978) 10.870 4.137 ( -0.748 1.117 1.076) 1.722 4.233 ( 3.322 2.712 -1.097) 4.427 4.286 ( 3.019 6.211 -4.402) 8.189 4.529 ( 0.262 2.043 -0.175) 2.067 4.545 ( -1.296 -3.531 3.601) 5.207 4.687 ( -0.318 -1.405 2.104) 2.550 4.853 ( -0.612 -4.059 -0.280) 4.114 4.892 ( -0.063 -3.998 -0.610) 4.045 5.107 ( 0.882 -0.289 0.536) 1.072 5.136 ( 0.796 1.173 -0.650) 1.560 5.445 ( -0.406 0.419 -0.789) 0.981 5.512 ( -0.544 -1.302 -0.619) 1.541 ======================= Grid point 119 (57/112) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 3.342 1.953 -1.119) 4.029 1.069 ( 0.746 8.421 0.241) 8.458 1.164 ( 0.283 6.105 0.825) 6.167 1.183 ( 0.118 4.807 -1.680) 5.094 1.328 ( 0.258 1.164 -1.557) 1.961 1.395 ( 0.541 -1.055 6.192) 6.305 1.442 ( 2.441 0.169 0.987) 2.639 1.539 ( 0.715 -0.625 1.229) 1.553 1.659 ( 0.848 0.487 -1.443) 1.743 1.729 ( 3.419 -3.856 -0.941) 5.238 1.834 ( 0.506 2.917 -3.351) 4.471 1.877 ( -2.079 1.430 3.060) 3.966 2.106 ( -4.664 -1.128 -2.002) 5.199 2.245 ( -3.578 0.279 1.665) 3.956 2.304 ( -0.263 2.005 -0.999) 2.256 2.496 ( -4.994 -4.752 -3.691) 7.819 2.551 ( 0.817 -0.011 0.724) 1.092 2.675 ( -1.968 2.400 0.238) 3.113 2.761 ( 0.482 -1.298 -1.785) 2.259 2.880 ( 2.011 3.354 6.313) 7.426 3.000 ( 6.410 7.281 -1.691) 9.847 3.157 ( -1.000 -3.564 0.043) 3.702 3.198 ( -9.046 -2.080 -2.220) 9.544 3.377 ( 1.804 -1.518 -0.811) 2.493 3.463 ( -1.280 -5.079 -1.455) 5.436 3.647 ( 1.967 -3.927 2.113) 4.874 3.707 ( -1.853 2.707 -0.202) 3.287 3.838 ( 1.422 -2.635 3.420) 4.545 3.883 ( 1.087 0.627 -0.551) 1.370 3.949 ( 5.482 -5.091 -0.369) 7.491 4.109 ( -0.848 -0.474 -2.003) 2.226 4.259 ( 0.963 2.353 -2.495) 3.562 4.397 ( 5.157 3.705 2.407) 6.791 4.502 ( 0.960 2.155 -1.736) 2.930 4.580 ( -0.355 -2.284 3.259) 3.996 4.694 ( 0.107 -1.256 1.082) 1.662 4.845 ( 0.249 -3.908 0.960) 4.032 4.887 ( -0.400 -4.009 -0.796) 4.107 5.125 ( 0.626 0.655 -0.128) 0.915 5.151 ( 0.851 1.396 -0.441) 1.694 5.433 ( -0.207 -0.267 -0.631) 0.716 5.497 ( -0.443 -2.085 -0.468) 2.182 ======================= Grid point 120 (58/112) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -1.250 7.370 2.491) 7.879 1.082 ( 4.325 -1.089 -1.857) 4.831 1.186 ( 1.697 2.696 -3.315) 4.598 1.211 ( 1.411 7.355 0.688) 7.521 1.327 ( 0.445 -1.921 -0.192) 1.981 1.387 ( -2.372 0.244 2.940) 3.785 1.499 ( 1.191 -1.955 -1.338) 2.651 1.555 ( -0.086 0.639 1.724) 1.841 1.678 ( 1.602 0.127 -0.148) 1.614 1.758 ( -1.107 -4.670 -0.679) 4.847 1.846 ( 2.604 -3.249 0.201) 4.168 1.894 ( 1.726 0.658 1.200) 2.203 2.021 ( -3.247 1.873 0.801) 3.833 2.141 ( -6.189 1.010 2.747) 6.846 2.287 ( -0.151 4.015 -1.795) 4.400 2.367 ( -4.568 -0.310 -3.129) 5.546 2.571 ( 0.419 2.988 -0.247) 3.028 2.648 ( -0.477 0.296 0.179) 0.589 2.710 ( -3.039 -1.844 -0.385) 3.575 2.921 ( -1.689 3.450 2.003) 4.332 2.978 ( -8.112 5.226 0.579) 9.667 3.150 ( 0.667 -6.521 -0.218) 6.559 3.163 ( 8.296 8.259 -2.023) 11.880 3.449 ( 1.572 -1.577 -1.418) 2.640 3.483 ( 6.278 2.775 0.279) 6.869 3.620 ( -3.532 3.873 -1.625) 5.488 3.709 ( -2.379 2.568 3.003) 4.612 3.820 ( 0.824 -3.694 1.936) 4.251 3.956 ( 2.751 -4.227 0.386) 5.058 4.084 ( 6.289 -7.630 -1.515) 10.003 4.113 ( 1.720 -1.427 -0.253) 2.249 4.260 ( 0.320 -1.221 -1.214) 1.751 4.444 ( 0.021 -0.512 -2.837) 2.883 4.550 ( -2.329 -2.833 -1.555) 3.984 4.582 ( 4.572 3.658 3.075) 6.613 4.706 ( -0.148 -0.908 2.615) 2.772 4.849 ( -1.204 -2.337 0.151) 2.634 4.881 ( 0.470 -5.942 1.479) 6.141 5.126 ( 0.070 1.096 -2.276) 2.527 5.161 ( 0.179 1.690 -0.949) 1.946 5.432 ( 0.194 -0.724 0.103) 0.757 5.494 ( 0.150 -2.596 0.826) 2.728 ======================= Grid point 121 (59/112) ======================= q-point: ( 0.00 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.376 -6.741 -1.083) 6.837 1.076 ( -0.107 -7.738 -0.576) 7.760 1.155 ( -0.748 3.470 2.502) 4.343 1.286 ( 0.793 2.362 -2.465) 3.505 1.350 ( -2.337 2.822 1.989) 4.169 1.377 ( 0.638 1.959 -1.015) 2.296 1.496 ( 0.549 -1.131 2.623) 2.909 1.604 ( -1.566 1.404 -1.159) 2.402 1.663 ( -0.067 -1.675 0.913) 1.908 1.691 ( 2.986 -4.032 0.259) 5.024 1.753 ( -1.507 -5.789 2.869) 6.634 1.774 ( 0.408 -7.297 2.030) 7.586 2.028 ( 0.233 2.342 1.123) 2.608 2.057 ( -1.834 0.064 0.900) 2.044 2.412 ( 3.912 5.102 -5.555) 8.497 2.434 ( 1.974 4.758 -6.127) 8.005 2.606 ( -0.489 2.070 -1.198) 2.441 2.677 ( 0.555 2.682 0.408) 2.769 2.730 ( -0.504 3.766 2.739) 4.684 2.938 ( -1.974 -1.826 2.666) 3.787 3.047 ( -0.771 3.874 -1.127) 4.108 3.099 ( 0.127 4.164 1.267) 4.354 3.417 ( 1.979 6.564 -2.055) 7.157 3.527 ( 1.142 2.796 0.558) 3.071 3.609 ( -1.907 0.801 0.121) 2.071 3.632 ( -3.510 5.462 -0.397) 6.505 3.733 ( 1.158 3.043 0.011) 3.256 3.806 ( -1.199 -3.529 2.492) 4.483 3.874 ( -0.061 -3.838 2.704) 4.696 4.011 ( 2.653 -8.767 0.772) 9.192 4.096 ( 1.397 -2.849 0.855) 3.286 4.166 ( 0.899 -5.981 0.395) 6.061 4.397 ( -1.525 0.696 -5.799) 6.036 4.441 ( -1.773 -1.470 -4.556) 5.105 4.683 ( 0.190 0.692 3.047) 3.130 4.708 ( 0.163 -0.123 3.324) 3.330 4.762 ( -0.552 -1.515 -0.355) 1.651 4.832 ( 0.675 -3.303 2.773) 4.365 5.118 ( -0.171 0.422 -3.908) 3.934 5.155 ( -1.608 -0.017 -4.315) 4.605 5.439 ( 0.675 0.390 1.442) 1.639 5.480 ( 1.004 -1.276 2.674) 3.129 ======================= Grid point 122 (60/112) ======================= q-point: ( 0.17 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.086 -3.077 -0.927) 3.215 1.139 ( 1.547 2.020 0.607) 2.616 1.183 ( 3.571 -6.481 1.042) 7.472 1.245 ( -2.610 3.518 -0.974) 4.487 1.329 ( -1.220 1.093 -0.997) 1.917 1.378 ( 0.949 4.452 0.228) 4.558 1.499 ( -2.296 -3.684 1.783) 4.693 1.550 ( -2.194 2.952 0.163) 3.682 1.704 ( 3.454 -1.521 0.123) 3.776 1.722 ( -0.563 -0.492 1.382) 1.571 1.761 ( -2.878 -4.876 1.555) 5.871 1.856 ( 8.946 -8.212 0.664) 12.162 2.028 ( 0.263 3.315 1.467) 3.635 2.092 ( 3.144 -0.828 0.724) 3.331 2.405 ( -0.834 6.184 -3.570) 7.189 2.477 ( 3.042 3.003 -4.378) 6.118 2.629 ( 2.361 1.290 -1.547) 3.103 2.675 ( -0.026 0.480 1.074) 1.177 2.753 ( 0.982 2.434 2.608) 3.700 2.897 ( -3.144 -0.490 1.575) 3.551 3.012 ( -1.768 1.720 -1.726) 3.011 3.112 ( 0.843 1.564 0.225) 1.791 3.377 ( -3.710 7.381 -2.175) 8.543 3.464 ( -5.176 3.537 -0.354) 6.279 3.527 ( -4.989 -1.242 2.084) 5.548 3.614 ( -1.142 2.524 -2.995) 4.080 3.710 ( -4.186 -4.426 0.823) 6.148 3.738 ( -3.531 -2.424 1.878) 4.677 3.945 ( 3.776 0.189 4.172) 5.630 3.984 ( -2.619 -2.395 0.712) 3.620 4.181 ( 2.396 -5.769 1.270) 6.375 4.187 ( 1.063 -4.313 1.719) 4.763 4.354 ( 0.785 1.805 -5.879) 6.200 4.394 ( 0.126 -0.440 -3.925) 3.952 4.682 ( -1.633 1.101 3.038) 3.620 4.717 ( -1.214 0.232 1.672) 2.079 4.765 ( 0.815 -1.018 0.296) 1.337 4.846 ( -0.374 -3.513 1.241) 3.744 5.090 ( -0.402 -0.014 -3.273) 3.298 5.124 ( 0.778 -0.466 -2.572) 2.727 5.461 ( 0.588 0.850 0.919) 1.383 5.507 ( 0.307 -0.955 1.593) 1.883 ======================= Grid point 123 (61/112) ======================= q-point: ( 0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.626 1.961 -0.476) 4.150 1.136 ( -1.644 4.998 0.635) 5.300 1.216 ( 0.754 4.046 0.489) 4.144 1.274 ( 3.048 -6.182 -0.356) 6.901 1.295 ( -0.492 -1.213 -1.455) 1.957 1.390 ( -0.910 4.663 -0.034) 4.751 1.445 ( -2.907 0.655 0.998) 3.142 1.520 ( -0.577 0.730 0.569) 1.091 1.656 ( -4.334 -2.576 0.290) 5.050 1.723 ( -1.530 -2.551 0.428) 3.005 1.811 ( 5.856 1.612 -1.362) 6.225 2.002 ( 0.874 0.399 0.420) 1.049 2.084 ( 6.219 -3.141 0.047) 6.968 2.167 ( 3.507 -1.578 1.346) 4.075 2.367 ( -1.373 2.495 -1.414) 3.179 2.454 ( -3.609 -1.421 -0.575) 3.921 2.644 ( -0.088 2.756 -0.838) 2.882 2.699 ( -0.272 -0.033 -1.020) 1.056 2.797 ( 1.355 1.331 1.026) 2.158 2.851 ( -0.050 1.381 3.819) 4.062 2.975 ( -1.095 0.440 -1.644) 2.024 3.120 ( 1.068 -2.659 -1.959) 3.471 3.283 ( -2.794 4.765 -3.359) 6.465 3.394 ( -2.007 3.231 0.209) 3.809 3.436 ( -4.537 -6.038 2.980) 8.119 3.493 ( -6.241 -2.212 -0.069) 6.622 3.620 ( -3.240 -5.342 -1.344) 6.391 3.709 ( -0.235 -4.146 -2.113) 4.660 3.940 ( -2.160 2.804 0.276) 3.550 4.056 ( 2.887 1.646 7.608) 8.302 4.152 ( -1.202 -2.703 -3.604) 4.663 4.250 ( 0.553 -1.228 4.698) 4.887 4.360 ( 2.878 2.927 -4.837) 6.344 4.423 ( 2.979 -0.255 -0.391) 3.015 4.649 ( -3.200 1.605 1.874) 4.041 4.679 ( -1.920 -0.279 0.996) 2.181 4.791 ( 1.232 -0.958 0.271) 1.584 4.838 ( -0.546 -2.515 -0.667) 2.658 5.087 ( 0.915 0.456 -0.483) 1.130 5.134 ( 0.732 -0.640 -0.796) 1.257 5.469 ( 0.027 0.897 -0.335) 0.958 5.509 ( -0.475 -0.755 -0.121) 0.900 ======================= Grid point 124 (62/112) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.718 5.235 -1.540) 5.721 1.148 ( 2.745 4.095 1.894) 5.281 1.262 ( -1.429 -0.007 -0.038) 1.429 1.273 ( 3.087 1.376 -0.008) 3.379 1.310 ( 0.123 1.919 -0.187) 1.932 1.332 ( -2.362 -3.378 -0.436) 4.145 1.439 ( 1.073 3.440 1.559) 3.926 1.512 ( -0.523 -0.273 -0.601) 0.842 1.601 ( -0.400 -3.303 0.218) 3.335 1.683 ( -1.506 -3.126 -1.879) 3.946 1.905 ( 2.378 4.068 -2.959) 5.564 1.975 ( -1.709 4.338 0.816) 4.733 2.139 ( -1.145 -3.329 -1.062) 3.677 2.262 ( 3.819 1.643 0.101) 4.158 2.311 ( -4.366 -3.563 1.577) 5.852 2.407 ( 0.002 -5.560 0.964) 5.643 2.591 ( -1.940 2.434 -2.159) 3.788 2.697 ( 0.816 -1.395 -1.808) 2.425 2.797 ( -1.100 3.429 0.193) 3.606 2.883 ( -1.295 0.274 4.649) 4.834 2.984 ( 4.047 4.086 -0.068) 5.751 3.157 ( 0.937 -2.288 -1.007) 2.669 3.258 ( 2.854 -1.791 -3.353) 4.753 3.325 ( -2.873 1.293 -2.188) 3.836 3.384 ( -1.337 -2.549 2.419) 3.759 3.441 ( 0.014 -5.942 2.807) 6.572 3.606 ( 2.265 -5.534 -0.769) 6.029 3.705 ( 1.930 -7.007 -3.331) 7.995 3.894 ( -1.546 5.103 -1.172) 5.459 4.086 ( -0.846 -4.159 -3.051) 5.227 4.115 ( -4.232 5.221 6.433) 9.304 4.281 ( -0.003 -0.326 4.013) 4.026 4.412 ( 3.176 4.776 -1.909) 6.045 4.483 ( 2.110 -0.895 1.946) 3.007 4.588 ( -1.699 2.864 -0.332) 3.346 4.668 ( -0.143 -0.976 1.478) 1.777 4.803 ( -0.577 -0.948 -0.475) 1.207 4.824 ( 0.177 -2.098 -1.118) 2.383 5.114 ( 1.271 0.538 1.488) 2.029 5.146 ( 0.717 -0.330 -0.060) 0.791 5.457 ( -0.624 0.760 -1.420) 1.727 5.491 ( -0.764 -0.839 -1.263) 1.698 ======================= Grid point 125 (63/112) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.889 1.945 -0.896) 2.856 1.191 ( -0.495 1.639 2.536) 3.059 1.226 ( -0.533 1.146 -0.129) 1.270 1.270 ( -2.349 -3.117 -1.541) 4.196 1.303 ( 0.851 3.328 -0.759) 3.518 1.368 ( 1.573 -1.491 3.096) 3.779 1.481 ( 2.655 3.616 -0.785) 4.554 1.500 ( -0.275 -1.886 0.825) 2.077 1.638 ( 3.460 -2.689 -0.267) 4.390 1.660 ( 0.642 -2.849 -2.292) 3.712 1.826 ( -6.071 1.445 -0.493) 6.260 1.979 ( -1.414 3.245 -0.120) 3.542 2.077 ( -3.253 -1.849 -0.861) 3.840 2.191 ( -5.808 -3.903 2.615) 7.470 2.336 ( 2.786 2.031 -2.309) 4.149 2.424 ( 0.701 -1.758 -0.983) 2.133 2.588 ( 2.148 2.605 -1.932) 3.890 2.689 ( -0.889 -0.893 -1.213) 1.749 2.768 ( -1.126 2.152 1.243) 2.728 2.911 ( 1.050 -1.526 4.434) 4.806 3.067 ( 1.297 0.765 1.093) 1.861 3.142 ( -0.759 1.041 -1.464) 1.950 3.257 ( 0.768 5.793 -4.643) 7.464 3.351 ( 5.114 0.166 -0.602) 5.152 3.409 ( 3.736 0.457 0.744) 3.836 3.537 ( 6.433 -5.942 2.611) 9.138 3.674 ( 3.891 -5.117 -0.210) 6.432 3.765 ( 5.129 -8.096 -3.203) 10.105 3.867 ( -1.310 4.811 -0.087) 4.987 4.009 ( -6.593 6.315 3.695) 9.849 4.063 ( -0.771 -3.477 -0.343) 3.578 4.251 ( -3.606 -3.596 1.019) 5.194 4.461 ( 1.670 2.960 -0.466) 3.431 4.523 ( 0.187 -0.789 1.923) 2.087 4.591 ( 1.465 3.051 0.471) 3.417 4.676 ( 0.281 -0.863 0.471) 1.023 4.787 ( -0.233 -1.354 0.151) 1.382 4.817 ( -0.579 -2.574 -1.000) 2.822 5.143 ( 0.578 0.961 0.476) 1.218 5.172 ( 1.596 0.061 0.747) 1.764 5.435 ( -0.640 0.363 -1.231) 1.434 5.465 ( -0.902 -1.149 -1.237) 1.914 ======================= Grid point 126 (64/112) ======================= q-point: (-0.17 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.948 -3.393 -0.839) 3.622 1.159 ( -3.685 -6.414 0.958) 7.460 1.181 ( -3.607 0.874 1.155) 3.887 1.257 ( 2.621 1.820 -2.679) 4.166 1.335 ( 2.046 3.397 0.809) 4.047 1.387 ( -1.231 0.220 2.563) 2.852 1.487 ( -0.175 0.601 0.649) 0.902 1.569 ( 4.116 0.702 0.072) 4.176 1.658 ( 0.185 -1.719 -0.373) 1.769 1.707 ( -2.879 -0.336 0.243) 2.909 1.725 ( 1.889 -5.855 0.495) 6.172 1.862 ( -7.620 -6.480 0.662) 10.025 2.031 ( -1.604 2.236 1.716) 3.243 2.117 ( -3.194 -1.438 0.953) 3.630 2.362 ( 2.321 4.380 -3.894) 6.304 2.430 ( 1.534 2.309 -4.679) 5.438 2.623 ( 1.045 2.518 -1.155) 2.960 2.662 ( -0.223 1.915 -1.130) 2.235 2.749 ( -2.189 3.645 2.573) 4.970 2.946 ( -0.122 -3.430 3.188) 4.684 3.067 ( 0.079 1.432 -1.602) 2.150 3.098 ( -1.917 4.134 1.560) 4.816 3.332 ( 6.104 7.737 -2.986) 10.297 3.460 ( 4.624 2.477 -0.212) 5.250 3.534 ( 7.000 2.604 -0.090) 7.469 3.672 ( 3.209 -2.111 1.205) 4.025 3.740 ( 1.738 -2.303 -0.398) 2.913 3.790 ( -3.658 2.550 2.525) 5.124 3.879 ( 2.626 -3.966 0.264) 4.764 3.923 ( -0.175 -2.487 0.856) 2.636 4.071 ( 1.071 -3.103 1.044) 3.444 4.185 ( -2.255 -5.499 -0.738) 5.989 4.456 ( -1.117 1.027 -3.405) 3.727 4.501 ( -1.826 -1.728 -2.327) 3.425 4.640 ( 1.944 1.871 2.866) 3.936 4.689 ( 0.183 -0.712 2.518) 2.623 4.786 ( -1.051 -2.488 -0.502) 2.747 4.803 ( 0.491 -2.364 1.412) 2.797 5.142 ( -0.144 1.360 -2.379) 2.744 5.194 ( 0.029 0.230 -1.498) 1.516 5.425 ( 0.051 0.019 0.324) 0.329 5.453 ( 0.115 -1.465 1.118) 1.846 ======================= Grid point 127 (65/112) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.551 -0.854 -0.710) 1.239 0.968 ( 0.551 0.854 -0.710) 1.239 1.242 ( -0.939 -4.439 2.505) 5.183 1.242 ( -0.939 4.439 2.505) 5.183 1.396 ( 0.732 -1.927 -2.579) 3.301 1.396 ( 0.732 1.927 -2.579) 3.301 1.550 ( -2.116 -6.420 2.592) 7.240 1.550 ( -2.116 6.420 2.592) 7.240 1.640 ( 0.766 -1.561 0.978) 1.995 1.640 ( 0.766 1.561 0.978) 1.995 1.699 ( 1.089 -0.242 1.459) 1.837 1.699 ( 1.089 0.242 1.459) 1.837 2.058 ( -0.512 -0.574 0.589) 0.969 2.058 ( -0.512 0.574 0.589) 0.969 2.474 ( 3.507 -0.771 -6.313) 7.263 2.474 ( 3.507 0.771 -6.313) 7.263 2.676 ( -0.882 -2.950 -0.654) 3.148 2.676 ( -0.882 2.950 -0.654) 3.148 2.828 ( -0.375 -5.735 1.913) 6.058 2.828 ( -0.375 5.735 1.913) 6.058 3.136 ( -1.337 -1.875 1.517) 2.758 3.136 ( -1.337 1.875 1.517) 2.758 3.528 ( 1.638 -4.222 -1.909) 4.915 3.528 ( 1.638 4.222 -1.909) 4.915 3.665 ( -0.094 -4.274 -0.542) 4.310 3.665 ( -0.094 4.274 -0.542) 4.310 3.750 ( -4.725 -4.758 2.331) 7.100 3.750 ( -4.725 4.758 2.331) 7.100 3.880 ( 3.031 -3.681 2.394) 5.335 3.880 ( 3.031 3.681 2.394) 5.335 4.073 ( 1.112 -1.829 0.621) 2.229 4.073 ( 1.112 1.829 0.621) 2.229 4.415 ( -1.313 -1.091 -5.196) 5.469 4.415 ( -1.313 1.091 -5.196) 5.469 4.697 ( 0.403 -0.777 2.783) 2.917 4.697 ( 0.403 0.777 2.783) 2.917 4.774 ( 0.029 -2.177 1.741) 2.788 4.774 ( 0.029 2.177 1.741) 2.788 5.138 ( -1.126 -1.252 -4.713) 5.005 5.138 ( -1.126 1.252 -4.713) 5.005 5.455 ( 0.978 -1.087 2.374) 2.788 5.455 ( 0.978 1.087 2.374) 2.788 ======================= Grid point 129 (66/112) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.420 -4.647 -0.548) 6.437 1.020 ( 4.420 4.647 -0.548) 6.437 1.230 ( -1.487 -3.844 2.902) 5.041 1.230 ( -1.487 3.844 2.902) 5.041 1.378 ( -0.505 -4.305 -3.301) 5.448 1.378 ( -0.505 4.305 -3.301) 5.448 1.530 ( -1.199 -5.124 2.362) 5.768 1.530 ( -1.199 5.124 2.362) 5.768 1.702 ( -0.015 -2.150 0.823) 2.303 1.702 ( -0.015 2.150 0.823) 2.303 1.738 ( 5.448 -2.108 1.147) 5.953 1.738 ( 5.448 2.108 1.147) 5.953 2.074 ( 1.609 -1.275 0.522) 2.119 2.074 ( 1.609 1.275 0.522) 2.119 2.491 ( 0.052 -1.844 -4.872) 5.209 2.491 ( 0.052 1.844 -4.872) 5.209 2.661 ( 1.040 -1.679 -0.441) 2.024 2.661 ( 1.040 1.679 -0.441) 2.024 2.831 ( -1.099 -4.337 2.800) 5.278 2.831 ( -1.099 4.337 2.800) 5.278 3.088 ( -2.758 -3.814 -0.521) 4.735 3.088 ( -2.758 3.814 -0.521) 4.735 3.481 ( -5.022 -2.607 -1.934) 5.980 3.481 ( -5.022 2.607 -1.934) 5.980 3.590 ( -6.340 -6.448 1.578) 9.179 3.590 ( -6.340 6.448 1.578) 9.179 3.667 ( -2.857 -3.312 -1.571) 4.648 3.667 ( -2.857 3.312 -1.571) 4.648 3.976 ( 3.110 -0.435 4.381) 5.390 3.976 ( 3.110 0.435 4.381) 5.390 4.111 ( 1.954 -0.971 1.515) 2.656 4.111 ( 1.954 0.971 1.515) 2.656 4.381 ( 1.058 -0.902 -4.982) 5.173 4.381 ( 1.058 0.902 -4.982) 5.173 4.706 ( -1.146 -1.132 1.906) 2.496 4.706 ( -1.146 1.132 1.906) 2.496 4.785 ( 0.348 -2.380 1.090) 2.641 4.785 ( 0.348 2.380 1.090) 2.641 5.104 ( 0.234 -1.171 -3.202) 3.417 5.104 ( 0.234 1.171 -3.202) 3.417 5.484 ( 0.544 -1.287 1.381) 1.964 5.484 ( 0.544 1.287 1.381) 1.964 ======================= Grid point 131 (67/112) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.866 -5.793 0.083) 7.566 1.125 ( 4.866 5.793 0.083) 7.566 1.224 ( -0.004 -2.978 1.995) 3.584 1.224 ( -0.004 2.978 1.995) 3.584 1.343 ( -1.221 -5.582 -3.333) 6.615 1.343 ( -1.221 5.582 -3.333) 6.615 1.515 ( -1.342 -4.012 2.029) 4.692 1.515 ( -1.342 4.012 2.029) 4.692 1.654 ( -3.220 -3.232 -0.296) 4.572 1.654 ( -3.220 3.232 -0.296) 4.572 1.902 ( 7.965 -6.334 -0.447) 10.186 1.902 ( 7.965 6.334 -0.447) 10.186 2.117 ( 2.019 -3.094 0.346) 3.711 2.117 ( 2.019 3.094 0.346) 3.711 2.420 ( -4.536 -2.315 -0.776) 5.151 2.420 ( -4.536 2.315 -0.776) 5.151 2.686 ( -0.423 -1.270 -1.475) 1.992 2.686 ( -0.423 1.270 -1.475) 1.992 2.833 ( 0.841 -2.223 3.942) 4.603 2.833 ( 0.841 2.223 3.942) 4.603 3.046 ( 0.037 -4.979 -2.567) 5.602 3.046 ( 0.037 4.979 -2.567) 5.602 3.341 ( -6.077 -2.197 -1.041) 6.545 3.341 ( -6.077 2.197 -1.041) 6.545 3.478 ( -4.541 -3.860 1.560) 6.161 3.478 ( -4.541 3.860 1.560) 6.161 3.590 ( -2.702 -5.749 -3.020) 7.034 3.590 ( -2.702 5.749 -3.020) 7.034 4.020 ( -0.329 -4.275 0.384) 4.305 4.020 ( -0.329 4.275 0.384) 4.305 4.177 ( 2.071 -4.160 5.805) 7.436 4.177 ( 2.071 4.160 5.805) 7.436 4.412 ( 3.760 -1.651 -3.427) 5.349 4.412 ( 3.760 1.651 -3.427) 5.349 4.671 ( -2.503 -0.688 1.114) 2.825 4.671 ( -2.503 0.688 1.114) 2.825 4.800 ( 0.575 -1.391 -0.040) 1.506 4.800 ( 0.575 1.391 -0.040) 1.506 5.108 ( 0.915 -1.520 -0.657) 1.892 5.108 ( 0.915 1.520 -0.657) 1.892 5.490 ( -0.213 -1.042 -0.274) 1.099 5.490 ( -0.213 1.042 -0.274) 1.099 ======================= Grid point 133 (68/112) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -1.204 -3.292 1.052) 3.659 1.171 ( -1.204 3.292 1.052) 3.659 1.257 ( 0.903 -1.164 -0.219) 1.490 1.257 ( 0.903 1.164 -0.219) 1.490 1.305 ( 0.482 -2.556 -1.810) 3.169 1.305 ( 0.482 2.556 -1.810) 3.169 1.509 ( 0.093 -3.776 1.744) 4.160 1.509 ( 0.093 3.776 1.744) 4.160 1.594 ( -1.254 -4.615 -2.134) 5.236 1.594 ( -1.254 4.615 -2.134) 5.236 2.003 ( 0.811 -4.227 -1.084) 4.438 2.003 ( 0.811 4.227 -1.084) 4.438 2.149 ( 0.119 -7.038 -1.236) 7.147 2.149 ( 0.119 7.038 -1.236) 7.147 2.340 ( -1.581 -3.140 2.799) 4.494 2.340 ( -1.581 3.140 2.799) 4.494 2.650 ( -0.625 -2.999 -2.366) 3.871 2.650 ( -0.625 2.999 -2.366) 3.871 2.858 ( -1.394 -2.448 2.628) 3.852 2.858 ( -1.394 2.448 2.628) 3.852 3.077 ( 3.292 -4.624 -0.572) 5.705 3.077 ( 3.292 4.624 -0.572) 5.705 3.269 ( 0.479 -3.365 -0.509) 3.437 3.269 ( 0.479 3.365 -0.509) 3.437 3.417 ( -1.477 -0.265 0.005) 1.501 3.417 ( -1.477 0.265 0.005) 1.501 3.563 ( 1.974 -4.159 -2.232) 5.116 3.563 ( 1.974 4.159 -2.232) 5.116 3.996 ( -0.893 -4.734 -1.953) 5.199 3.996 ( -0.893 4.734 -1.953) 5.199 4.215 ( -2.550 -4.684 6.660) 8.532 4.215 ( -2.550 4.684 6.660) 8.532 4.475 ( 2.854 -1.308 -1.277) 3.389 4.475 ( 2.854 1.308 -1.277) 3.389 4.638 ( -0.684 -1.977 0.778) 2.232 4.638 ( -0.684 1.977 0.778) 2.232 4.801 ( -0.294 -0.487 -0.746) 0.938 4.801 ( -0.294 0.487 -0.746) 0.938 5.129 ( 1.080 -0.967 0.808) 1.660 5.129 ( 1.080 0.967 0.808) 1.660 5.474 ( -0.753 -0.841 -1.494) 1.873 5.474 ( -0.753 0.841 -1.494) 1.873 ======================= Grid point 135 (69/112) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -4.761 -5.853 0.043) 7.545 1.105 ( -4.761 5.853 0.043) 7.545 1.242 ( -0.916 -0.269 1.018) 1.396 1.242 ( -0.916 0.269 1.018) 1.396 1.343 ( 2.284 -1.152 -0.989) 2.742 1.343 ( 2.284 1.152 -0.989) 2.742 1.521 ( 0.421 -1.929 1.181) 2.300 1.521 ( 0.421 1.929 1.181) 2.300 1.605 ( 2.681 -1.778 -1.867) 3.719 1.605 ( 2.681 1.778 -1.867) 3.719 1.911 ( -7.956 -5.999 -0.102) 9.965 1.911 ( -7.956 5.999 -0.102) 9.965 2.117 ( -1.602 -3.711 0.048) 4.042 2.117 ( -1.602 3.711 0.048) 4.042 2.387 ( 3.340 -2.277 -1.058) 4.178 2.387 ( 3.340 2.277 -1.058) 4.178 2.648 ( 1.352 -2.897 -2.113) 3.832 2.648 ( 1.352 2.897 -2.113) 3.832 2.838 ( -1.091 -4.287 3.313) 5.527 2.838 ( -1.091 4.287 3.313) 5.527 3.115 ( 0.192 -3.101 -0.293) 3.121 3.115 ( 0.192 3.101 -0.293) 3.121 3.355 ( 6.421 -2.912 -0.796) 7.095 3.355 ( 6.421 2.912 -0.796) 7.095 3.449 ( 5.103 -2.059 0.168) 5.505 3.449 ( 5.103 2.059 0.168) 5.505 3.627 ( 4.663 -3.078 -2.466) 6.107 3.627 ( 4.663 3.078 -2.466) 6.107 3.974 ( -1.068 -5.010 0.545) 5.151 3.974 ( -1.068 5.010 0.545) 5.151 4.143 ( -6.011 -6.337 3.499) 9.409 4.143 ( -6.011 6.337 3.499) 9.409 4.504 ( 0.166 -1.275 -0.283) 1.316 4.504 ( 0.166 1.275 -0.283) 1.316 4.646 ( 0.754 -2.142 0.397) 2.306 4.646 ( 0.754 2.142 0.397) 2.306 4.784 ( -0.800 -0.800 -0.361) 1.188 4.784 ( -0.800 0.800 -0.361) 1.188 5.161 ( 1.324 -0.856 0.818) 1.776 5.161 ( 1.324 0.856 0.818) 1.776 5.446 ( -0.950 -0.745 -1.429) 1.870 5.446 ( -0.950 0.745 -1.429) 1.870 ======================= Grid point 137 (70/112) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -3.708 -4.202 -0.339) 5.615 1.007 ( -3.708 4.202 -0.339) 5.615 1.241 ( -0.183 -2.422 1.825) 3.038 1.241 ( -0.183 2.422 1.825) 3.038 1.377 ( 1.686 -1.137 -1.402) 2.470 1.377 ( 1.686 1.137 -1.402) 2.470 1.550 ( 0.769 -4.402 2.894) 5.323 1.550 ( 0.769 4.402 2.894) 5.323 1.643 ( 1.444 -2.286 -1.541) 3.112 1.643 ( 1.444 2.286 -1.541) 3.112 1.740 ( -7.169 -3.823 1.087) 8.197 1.740 ( -7.169 3.823 1.087) 8.197 2.083 ( -1.870 -2.163 0.666) 2.936 2.083 ( -1.870 2.163 0.666) 2.936 2.434 ( 3.092 -1.930 -4.948) 6.146 2.434 ( 3.092 1.930 -4.948) 6.146 2.672 ( 1.575 -1.421 -1.479) 2.586 2.672 ( 1.575 1.421 -1.479) 2.586 2.838 ( -1.362 -5.242 3.334) 6.360 2.838 ( -1.362 5.242 3.334) 6.360 3.124 ( 1.178 -1.746 0.300) 2.127 3.124 ( 1.178 1.746 0.300) 2.127 3.465 ( 4.610 -4.324 -1.551) 6.508 3.465 ( 4.610 4.324 -1.551) 6.508 3.597 ( 6.485 -4.217 0.539) 7.754 3.597 ( 6.485 4.217 0.539) 7.754 3.719 ( 5.014 -4.963 -1.581) 7.230 3.719 ( 5.014 4.963 -1.581) 7.230 3.920 ( -5.846 -4.449 4.671) 8.705 3.920 ( -5.846 4.449 4.671) 8.705 4.066 ( -1.092 -4.939 -0.325) 5.069 4.066 ( -1.092 4.939 -0.325) 5.069 4.476 ( -1.712 -0.975 -3.427) 3.953 4.476 ( -1.712 0.975 -3.427) 3.953 4.669 ( 0.752 -1.235 2.369) 2.776 4.669 ( 0.752 1.235 2.369) 2.776 4.771 ( -0.482 -0.670 0.735) 1.105 4.771 ( -0.482 0.670 0.735) 1.105 5.175 ( -0.063 -1.653 -2.185) 2.741 5.175 ( -0.063 1.653 -2.185) 2.741 5.432 ( 0.025 -0.660 0.873) 1.095 5.432 ( 0.025 0.660 0.873) 1.095 ======================= Grid point 169 (71/112) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 2.699 0.000 10.301) 10.648 0.449 ( -0.022 0.000 6.335) 6.336 0.695 ( 2.692 0.000 -7.949) 8.392 0.696 ( -0.239 0.000 -1.868) 1.883 0.875 ( -2.023 0.000 10.322) 10.518 1.122 ( 0.090 0.000 0.099) 0.134 1.173 ( 0.859 0.000 -3.044) 3.162 1.361 ( 0.156 0.000 -0.492) 0.516 1.428 ( -0.763 0.000 13.189) 13.212 1.511 ( 0.427 0.000 0.337) 0.544 1.687 ( -0.008 0.000 -0.037) 0.038 1.715 ( -1.772 0.000 -10.378) 10.528 1.837 ( -1.115 0.000 -1.357) 1.757 2.043 ( 0.054 0.000 0.060) 0.081 2.084 ( -0.162 0.000 -0.158) 0.227 2.252 ( 0.011 0.000 -0.806) 0.806 2.305 ( -0.364 0.000 -2.034) 2.067 2.548 ( -6.717 0.000 0.386) 6.728 2.582 ( 3.397 0.000 -0.696) 3.468 2.741 ( 0.015 0.000 -0.577) 0.577 3.001 ( -0.382 0.000 -0.007) 0.383 3.290 ( 0.482 0.000 0.420) 0.640 3.359 ( -16.331 0.000 6.672) 17.641 3.492 ( 8.132 0.000 -6.943) 10.692 3.536 ( -0.092 0.000 -0.357) 0.369 3.664 ( -0.082 0.000 0.334) 0.344 3.759 ( 0.076 0.000 0.124) 0.145 3.785 ( -0.014 0.000 -0.174) 0.174 3.896 ( 2.240 0.000 1.087) 2.490 4.170 ( -1.080 0.000 0.473) 1.179 4.226 ( -3.550 0.000 2.192) 4.172 4.336 ( 0.480 0.000 -3.256) 3.291 4.490 ( -0.165 0.000 -0.072) 0.180 4.560 ( 0.020 0.000 0.007) 0.021 4.594 ( 0.158 0.000 0.093) 0.183 4.772 ( 3.194 0.000 1.125) 3.386 4.829 ( -1.151 0.000 -0.123) 1.158 5.340 ( 5.114 0.000 3.278) 6.074 5.375 ( 1.136 0.000 1.305) 1.730 5.421 ( 0.118 0.000 -4.059) 4.061 5.571 ( -0.342 0.000 0.094) 0.355 5.695 ( -0.797 0.000 -0.595) 0.994 ======================= Grid point 170 (72/112) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 8.319 0.000 2.758) 8.764 0.586 ( 3.228 0.000 4.773) 5.762 0.669 ( 8.912 0.000 -13.003) 15.764 0.756 ( 5.922 0.000 -0.680) 5.961 0.984 ( 4.574 0.000 2.991) 5.466 1.155 ( 2.790 0.000 -0.200) 2.798 1.192 ( 1.000 0.000 -0.538) 1.136 1.351 ( -0.770 0.000 -0.608) 0.981 1.442 ( -1.205 0.000 1.872) 2.226 1.591 ( 6.299 0.000 14.319) 15.643 1.646 ( -3.873 0.000 -0.005) 3.873 1.659 ( 1.912 0.000 -11.968) 12.120 1.895 ( 4.435 0.000 2.304) 4.997 1.983 ( -8.074 0.000 -0.391) 8.084 2.024 ( -3.129 0.000 1.165) 3.339 2.093 ( -10.066 0.000 -0.032) 10.066 2.317 ( -0.011 0.000 -0.195) 0.195 2.439 ( 0.556 0.000 1.557) 1.653 2.691 ( -4.799 0.000 0.718) 4.852 2.752 ( 8.341 0.000 -1.348) 8.449 2.924 ( -21.422 0.000 1.222) 21.457 3.070 ( 3.051 0.000 -1.022) 3.218 3.155 ( -6.533 0.000 12.947) 14.502 3.604 ( 3.342 0.000 0.296) 3.355 3.702 ( 5.896 0.000 -0.150) 5.898 3.734 ( -4.316 0.000 -0.059) 4.317 3.765 ( 8.614 0.000 0.300) 8.619 3.777 ( 0.860 0.000 0.144) 0.872 3.939 ( 1.123 0.000 -2.158) 2.432 4.114 ( -3.468 0.000 0.658) 3.530 4.175 ( -3.017 0.000 6.745) 7.389 4.316 ( -1.418 0.000 -1.168) 1.838 4.477 ( -0.788 0.000 0.184) 0.809 4.548 ( -0.153 0.000 -1.669) 1.676 4.621 ( 2.008 0.000 -0.170) 2.015 4.765 ( -1.530 0.000 -4.308) 4.571 4.905 ( 5.605 0.000 0.941) 5.684 5.255 ( -4.310 0.000 -5.477) 6.969 5.349 ( -1.563 0.000 0.702) 1.714 5.549 ( 0.956 0.000 1.021) 1.399 5.565 ( 2.041 0.000 -4.475) 4.919 5.689 ( 0.629 0.000 2.253) 2.340 ======================= Grid point 171 (73/112) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 3.276 0.000 -10.321) 10.829 0.753 ( 5.650 0.000 0.780) 5.704 0.890 ( 6.034 0.000 -0.284) 6.041 0.892 ( 9.152 0.000 -5.201) 10.527 0.947 ( -6.216 0.000 -1.559) 6.409 1.217 ( 2.825 0.000 -0.519) 2.873 1.282 ( 5.132 0.000 3.444) 6.180 1.325 ( -1.456 0.000 -0.587) 1.570 1.441 ( 1.603 0.000 -2.062) 2.612 1.532 ( -5.820 0.000 -0.081) 5.821 1.655 ( 1.272 0.000 -6.581) 6.703 1.697 ( -12.987 0.000 -0.237) 12.989 1.832 ( 8.487 0.000 7.127) 11.082 1.949 ( -2.325 0.000 7.877) 8.213 1.994 ( -1.339 0.000 0.455) 1.414 2.077 ( 6.854 0.000 3.927) 7.899 2.315 ( 1.261 0.000 -3.270) 3.505 2.443 ( -21.357 0.000 0.303) 21.359 2.489 ( 0.913 0.000 -0.351) 0.978 2.577 ( -4.615 0.000 2.336) 5.172 2.820 ( -0.853 0.000 -3.605) 3.704 3.206 ( 8.335 0.000 -0.013) 8.335 3.259 ( 9.612 0.000 8.494) 12.827 3.595 ( -8.074 0.000 0.053) 8.074 3.632 ( -2.881 0.000 6.554) 7.160 3.771 ( -0.563 0.000 -1.501) 1.603 3.805 ( 3.600 0.000 -0.299) 3.612 3.875 ( -5.412 0.000 -1.791) 5.701 3.908 ( 4.273 0.000 0.327) 4.285 4.119 ( 3.686 0.000 1.005) 3.821 4.173 ( -0.882 0.000 5.778) 5.845 4.276 ( -1.619 0.000 0.697) 1.763 4.464 ( -0.489 0.000 -0.045) 0.491 4.530 ( 0.005 0.000 -7.241) 7.241 4.661 ( 1.586 0.000 -0.029) 1.586 4.691 ( -2.459 0.000 -5.187) 5.740 5.013 ( 3.680 0.000 0.509) 3.715 5.168 ( -1.298 0.000 -5.350) 5.505 5.331 ( -1.030 0.000 3.166) 3.330 5.532 ( -2.386 0.000 2.722) 3.619 5.542 ( -0.732 0.000 -4.910) 4.965 5.739 ( 1.738 0.000 2.374) 2.942 ======================= Grid point 172 (74/112) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -2.509 0.000 -7.693) 8.092 0.780 ( -0.877 0.000 -3.642) 3.746 0.790 ( -1.246 0.000 0.172) 1.258 0.962 ( 0.281 0.000 0.279) 0.396 1.021 ( 2.310 0.000 -1.905) 2.995 1.253 ( -0.457 0.000 -0.179) 0.491 1.294 ( 0.185 0.000 0.055) 0.193 1.331 ( 0.116 0.000 -1.697) 1.701 1.483 ( -0.573 0.000 0.100) 0.581 1.499 ( -0.537 0.000 3.926) 3.962 1.539 ( 1.201 0.000 -1.067) 1.607 1.598 ( -3.516 0.000 -2.066) 4.078 1.883 ( -3.895 0.000 7.880) 8.790 2.022 ( 4.961 0.000 -1.762) 5.265 2.033 ( 0.641 0.000 -0.032) 0.642 2.147 ( -0.639 0.000 0.611) 0.884 2.219 ( -0.780 0.000 9.581) 9.612 2.328 ( 1.302 0.000 -3.807) 4.023 2.474 ( 3.680 0.000 -2.981) 4.736 2.563 ( -0.096 0.000 -1.296) 1.299 2.767 ( -0.678 0.000 -2.325) 2.422 3.373 ( 0.363 0.000 -0.075) 0.370 3.432 ( -0.310 0.000 0.128) 0.335 3.527 ( -2.117 0.000 4.121) 4.633 3.561 ( 7.904 0.000 2.209) 8.207 3.748 ( -3.017 0.000 -1.509) 3.373 3.783 ( 0.234 0.000 -0.857) 0.889 3.843 ( 0.023 0.000 -0.214) 0.216 3.953 ( 0.024 0.000 0.210) 0.212 4.173 ( -1.264 0.000 4.183) 4.370 4.224 ( 1.888 0.000 4.640) 5.009 4.287 ( 3.938 0.000 -0.770) 4.012 4.444 ( -2.722 0.000 -11.532) 11.849 4.457 ( -0.091 0.000 -0.048) 0.103 4.635 ( -1.025 0.000 -2.116) 2.351 4.679 ( 0.038 0.000 0.003) 0.038 5.046 ( -0.739 0.000 0.047) 0.740 5.127 ( -1.531 0.000 -0.458) 1.598 5.347 ( 1.163 0.000 2.429) 2.693 5.465 ( -3.121 0.000 0.242) 3.131 5.546 ( 1.368 0.000 -0.534) 1.469 5.768 ( 0.026 0.000 1.354) 1.354 ======================= Grid point 173 (75/112) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -6.704 0.000 2.969) 7.332 0.707 ( -8.374 0.000 4.495) 9.504 0.833 ( 0.772 0.000 -0.830) 1.133 0.913 ( -4.689 0.000 -1.787) 5.018 0.995 ( -0.402 0.000 -4.755) 4.772 1.211 ( -2.524 0.000 0.007) 2.524 1.283 ( -6.636 0.000 4.173) 7.839 1.318 ( 1.386 0.000 0.076) 1.388 1.427 ( -2.213 0.000 2.448) 3.300 1.495 ( -7.971 0.000 4.073) 8.951 1.533 ( 5.958 0.000 -0.107) 5.959 1.707 ( 12.939 0.000 -1.069) 12.983 1.894 ( 1.840 0.000 0.206) 1.851 2.003 ( 1.438 0.000 -0.352) 1.480 2.032 ( -2.662 0.000 -1.932) 3.289 2.139 ( -7.858 0.000 2.520) 8.253 2.336 ( 2.284 0.000 -4.894) 5.401 2.440 ( 21.275 0.000 0.567) 21.283 2.518 ( -1.143 0.000 -3.702) 3.874 2.610 ( 6.352 0.000 -1.407) 6.506 2.780 ( 1.268 0.000 -0.251) 1.293 3.208 ( -8.327 0.000 -0.234) 8.331 3.397 ( -3.479 0.000 -4.691) 5.840 3.595 ( 8.041 0.000 0.127) 8.042 3.697 ( -1.290 0.000 1.636) 2.083 3.788 ( 1.423 0.000 -3.425) 3.709 3.803 ( -3.583 0.000 -0.140) 3.585 3.830 ( 8.309 0.000 1.831) 8.509 3.911 ( -4.229 0.000 0.032) 4.229 4.142 ( -2.748 0.000 -1.346) 3.061 4.235 ( 0.947 0.000 -1.188) 1.519 4.361 ( 0.079 0.000 -5.346) 5.347 4.412 ( 5.663 0.000 1.297) 5.810 4.461 ( 0.533 0.000 0.156) 0.555 4.620 ( 0.056 0.000 2.400) 2.401 4.662 ( -1.633 0.000 -0.073) 1.634 4.995 ( -4.278 0.000 1.878) 4.672 5.088 ( -2.588 0.000 3.464) 4.324 5.386 ( 1.435 0.000 -2.467) 2.855 5.433 ( -0.882 0.000 5.923) 5.988 5.577 ( 1.647 0.000 -1.416) 2.172 5.757 ( -1.398 0.000 0.206) 1.413 ======================= Grid point 174 (76/112) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -4.048 0.000 14.071) 14.642 0.529 ( -9.731 0.000 6.667) 11.796 0.712 ( -4.922 0.000 -6.171) 7.894 0.779 ( -5.795 0.000 -2.068) 6.153 0.958 ( -6.287 0.000 4.775) 7.894 1.151 ( -2.658 0.000 0.141) 2.661 1.207 ( -2.051 0.000 2.140) 2.965 1.349 ( 1.256 0.000 -0.360) 1.307 1.379 ( -3.350 0.000 10.210) 10.746 1.462 ( 3.104 0.000 -0.735) 3.190 1.647 ( 3.879 0.000 -0.055) 3.880 1.849 ( -4.426 0.000 -9.553) 10.528 1.942 ( -6.267 0.000 -0.835) 6.322 1.979 ( 8.143 0.000 0.004) 8.143 2.038 ( 1.646 0.000 -0.316) 1.676 2.105 ( 9.897 0.000 -1.089) 9.957 2.351 ( 0.117 0.000 -4.369) 4.370 2.484 ( 1.160 0.000 -2.319) 2.593 2.708 ( 3.475 0.000 -1.135) 3.656 2.747 ( -5.247 0.000 -0.876) 5.319 2.932 ( 23.322 0.000 0.536) 23.328 3.062 ( -5.123 0.000 -0.325) 5.134 3.374 ( 4.946 0.000 -8.860) 10.147 3.651 ( -6.213 0.000 -6.368) 8.897 3.699 ( -5.791 0.000 0.225) 5.796 3.729 ( 2.784 0.000 0.227) 2.793 3.763 ( -1.051 0.000 2.131) 2.376 3.774 ( -7.167 0.000 -0.467) 7.182 3.881 ( -2.459 0.000 3.125) 3.977 4.146 ( 3.783 0.000 -3.955) 5.473 4.260 ( 0.296 0.000 0.495) 0.577 4.347 ( 0.842 0.000 -6.340) 6.396 4.479 ( 0.947 0.000 -0.010) 0.947 4.517 ( 3.840 0.000 1.002) 3.968 4.619 ( -2.121 0.000 0.073) 2.122 4.683 ( 3.287 0.000 4.787) 5.806 4.901 ( -5.026 0.000 1.311) 5.194 5.116 ( 4.247 0.000 9.142) 10.080 5.384 ( -0.149 0.000 -0.973) 0.985 5.461 ( -0.609 0.000 4.076) 4.121 5.585 ( -0.223 0.000 -1.507) 1.523 5.722 ( -1.390 0.000 -1.082) 1.761 ======================= Grid point 175 (77/112) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 2.271 8.017 4.289) 9.372 0.525 ( -0.003 4.499 11.410) 12.265 0.714 ( 1.489 9.001 -5.307) 10.555 0.737 ( 0.245 3.964 -9.008) 9.845 1.033 ( -1.167 10.770 4.363) 11.678 1.198 ( -1.314 3.913 -1.207) 4.300 1.280 ( 1.955 9.949 -1.623) 10.268 1.449 ( 0.314 4.752 11.444) 12.395 1.464 ( -0.350 7.364 3.929) 8.354 1.541 ( 1.734 3.618 1.491) 4.280 1.664 ( -4.726 -1.122 -1.134) 4.988 1.725 ( -0.429 1.789 -6.170) 6.438 1.874 ( -0.215 3.777 -1.632) 4.120 2.013 ( -0.186 -1.627 -1.082) 1.963 2.098 ( 0.928 0.443 0.534) 1.158 2.276 ( -0.258 1.060 -2.667) 2.882 2.458 ( 0.878 7.302 -1.047) 7.429 2.495 ( -1.505 -3.243 -1.702) 3.960 2.593 ( 1.308 -0.146 -2.137) 2.509 2.783 ( 1.814 9.835 0.046) 10.001 3.092 ( -2.735 3.346 2.283) 4.887 3.311 ( 3.021 -0.078 0.199) 3.029 3.332 ( -2.154 -6.980 -1.377) 7.433 3.454 ( -7.848 0.945 0.039) 7.905 3.560 ( 3.663 0.029 -2.333) 4.343 3.640 ( -0.224 -1.816 -1.416) 2.314 3.773 ( -0.078 2.400 1.193) 2.681 3.830 ( -0.224 4.068 -0.158) 4.078 3.901 ( 2.226 0.381 0.518) 2.317 4.140 ( -1.080 -3.782 -1.335) 4.154 4.204 ( -3.441 0.071 1.574) 3.785 4.347 ( 0.946 0.979 -2.206) 2.592 4.506 ( -1.172 -1.148 1.195) 2.029 4.522 ( -0.898 -3.356 -0.361) 3.493 4.605 ( 0.946 3.258 0.021) 3.393 4.764 ( 3.248 -0.651 0.949) 3.446 4.814 ( -1.248 -1.090 -0.073) 1.658 5.263 ( 6.399 -7.042 5.050) 10.772 5.337 ( -4.843 -3.601 1.720) 6.275 5.387 ( 2.918 -2.706 -3.496) 5.297 5.534 ( -0.729 -2.946 -0.186) 3.040 5.671 ( -0.765 -2.235 -0.648) 2.450 ======================= Grid point 176 (78/112) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 3.353 2.662 0.194) 4.285 0.640 ( 4.583 3.113 0.811) 5.600 0.746 ( 5.877 3.504 -4.407) 8.139 0.834 ( 9.412 8.736 -4.257) 13.529 1.055 ( 0.610 7.305 2.590) 7.775 1.189 ( 0.791 2.426 0.959) 2.726 1.290 ( -1.272 7.508 -1.706) 7.804 1.413 ( -3.855 1.567 -1.467) 4.413 1.479 ( -0.742 7.289 -0.417) 7.338 1.579 ( 1.361 2.264 12.740) 13.011 1.670 ( 3.484 1.433 -2.811) 4.700 1.732 ( 3.275 5.874 0.235) 6.729 1.947 ( 5.898 5.647 -0.299) 8.171 1.987 ( -1.642 -0.910 0.658) 1.989 2.046 ( -4.853 1.246 -1.108) 5.131 2.269 ( -0.482 4.243 -2.939) 5.184 2.380 ( -7.548 10.084 -0.714) 12.617 2.464 ( 0.992 2.783 -0.000) 2.955 2.656 ( -0.993 -3.946 -0.786) 4.144 2.767 ( 2.084 6.828 -3.488) 7.946 3.020 ( -15.826 5.992 0.521) 16.930 3.090 ( -2.299 0.785 7.141) 7.543 3.274 ( -2.621 9.139 3.058) 9.987 3.492 ( 5.802 -8.263 -0.779) 10.127 3.647 ( 3.780 -7.911 0.846) 8.809 3.729 ( 4.336 -0.261 -0.894) 4.435 3.758 ( -1.162 2.206 0.893) 2.648 3.829 ( -0.648 4.110 0.432) 4.183 3.939 ( 1.025 -0.484 -2.288) 2.554 4.091 ( -2.315 -3.157 -0.428) 3.938 4.150 ( -3.212 -0.967 6.919) 7.690 4.323 ( -2.300 0.127 -1.369) 2.679 4.471 ( -1.682 -5.764 -0.029) 6.005 4.496 ( -0.941 1.126 0.900) 1.722 4.641 ( 1.825 1.513 -1.091) 2.609 4.750 ( -1.225 -1.072 -3.579) 3.932 4.895 ( 5.430 -0.740 0.699) 5.525 5.222 ( -3.720 -3.371 -5.194) 7.224 5.314 ( -1.230 -3.796 2.427) 4.670 5.490 ( 4.605 -5.959 -3.550) 8.326 5.518 ( -1.134 -2.883 1.593) 3.484 5.660 ( -0.026 -2.319 1.955) 3.033 ======================= Grid point 177 (79/112) ======================= q-point: ( 0.33 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 4.408 2.925 -4.204) 6.757 0.754 ( 7.742 1.979 -5.100) 9.480 0.866 ( 3.805 0.277 -1.265) 4.020 0.975 ( 4.343 5.350 -2.157) 7.221 1.025 ( -3.117 6.107 -1.253) 6.970 1.182 ( -3.600 -5.440 0.312) 6.530 1.286 ( 2.695 4.524 2.030) 5.643 1.372 ( 0.938 1.820 -1.777) 2.711 1.482 ( 0.557 6.826 0.819) 6.897 1.585 ( -2.489 3.897 2.081) 5.071 1.723 ( 0.844 4.325 -1.657) 4.708 1.852 ( -1.700 7.790 -0.446) 7.986 1.896 ( 1.137 4.442 1.055) 4.705 1.966 ( -2.208 1.907 4.658) 5.496 2.113 ( 6.956 4.279 4.058) 9.120 2.146 ( -5.733 15.310 -1.117) 16.386 2.328 ( 1.722 1.823 -2.815) 3.770 2.472 ( -5.567 3.535 0.258) 6.600 2.518 ( -3.847 2.832 1.024) 4.886 2.674 ( -11.020 7.645 0.937) 13.445 2.834 ( 0.218 2.190 -3.516) 4.148 3.231 ( 10.560 1.923 3.569) 11.311 3.309 ( 2.866 3.031 3.521) 5.459 3.597 ( 2.204 -3.446 3.884) 5.641 3.635 ( -2.656 1.149 -1.123) 3.104 3.745 ( -2.251 -1.566 1.893) 3.332 3.786 ( -0.534 1.338 -1.022) 1.766 3.827 ( 3.569 -5.600 -0.211) 6.644 3.878 ( -5.011 0.030 -1.429) 5.211 4.099 ( 3.446 -4.017 -1.545) 5.513 4.150 ( -1.231 -1.741 7.165) 7.475 4.253 ( -3.146 -2.395 -0.042) 3.954 4.450 ( 0.231 -6.116 -3.571) 7.086 4.490 ( -0.263 2.369 0.973) 2.575 4.623 ( -1.903 -2.419 -5.942) 6.692 4.728 ( 0.554 1.960 -0.825) 2.198 4.997 ( 3.492 -1.484 0.404) 3.816 5.142 ( -1.372 -2.651 -4.829) 5.677 5.298 ( -1.318 -3.293 3.397) 4.911 5.491 ( -1.805 -4.634 -3.054) 5.836 5.507 ( -0.203 -2.432 0.641) 2.523 5.696 ( 1.420 -3.604 2.776) 4.765 ======================= Grid point 178 (80/112) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.989 6.408 -5.173) 8.294 0.815 ( -3.724 1.101 -3.435) 5.185 0.837 ( -0.331 2.745 2.852) 3.972 0.998 ( 0.686 -0.624 -4.623) 4.715 1.022 ( 1.363 6.336 0.311) 6.488 1.125 ( 0.812 -10.275 -0.528) 10.320 1.337 ( -0.077 5.842 1.129) 5.951 1.404 ( 1.401 5.638 -1.524) 6.006 1.493 ( -0.149 3.750 1.429) 4.016 1.550 ( -0.616 3.954 1.028) 4.132 1.690 ( -2.804 7.663 0.074) 8.160 1.784 ( -0.185 12.651 0.062) 12.652 1.915 ( -4.409 2.192 6.212) 7.927 1.999 ( 3.891 1.844 -0.672) 4.358 2.091 ( 0.706 7.367 -2.147) 7.706 2.234 ( -0.113 1.543 6.589) 6.768 2.354 ( 0.197 6.418 -2.242) 6.802 2.365 ( 0.901 13.756 0.070) 13.786 2.511 ( 2.791 1.785 -2.683) 4.263 2.571 ( -0.291 2.210 0.214) 2.239 2.801 ( -0.796 3.291 -1.877) 3.871 3.349 ( -1.788 -2.373 1.538) 3.346 3.476 ( 7.041 3.048 -0.619) 7.698 3.533 ( -3.468 0.758 3.393) 4.910 3.662 ( 3.645 7.116 -0.002) 7.995 3.735 ( 1.610 -4.743 0.839) 5.079 3.764 ( -3.326 -0.575 1.126) 3.558 3.775 ( -1.608 -1.085 -2.917) 3.504 3.880 ( 0.250 -5.640 0.477) 5.665 4.124 ( -1.386 -5.011 2.628) 5.825 4.194 ( 1.198 -3.794 2.242) 4.567 4.234 ( 3.523 -4.479 -1.987) 6.035 4.421 ( -0.423 -2.301 -6.498) 6.907 4.492 ( -0.234 1.079 2.353) 2.599 4.553 ( -1.194 -2.384 -4.493) 5.224 4.733 ( -0.359 2.038 0.204) 2.079 5.032 ( -0.451 -1.368 -0.042) 1.441 5.099 ( -1.562 -2.831 -0.573) 3.284 5.309 ( 0.881 -3.665 2.717) 4.647 5.429 ( -2.443 -3.669 -0.849) 4.489 5.518 ( 1.070 -2.291 -0.108) 2.531 5.726 ( 0.228 -3.788 1.395) 4.044 ======================= Grid point 179 (81/112) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -4.399 10.819 1.828) 11.821 0.647 ( -10.589 -3.246 3.228) 11.536 0.886 ( 1.300 4.618 1.296) 4.970 0.940 ( -4.572 -1.712 -2.770) 5.614 1.043 ( 1.447 7.244 -1.795) 7.602 1.195 ( 3.767 -4.108 -0.934) 5.651 1.305 ( -2.285 4.877 -0.180) 5.388 1.370 ( -2.385 4.810 -1.291) 5.521 1.498 ( -0.636 7.294 -0.113) 7.323 1.537 ( -4.492 4.700 6.094) 8.911 1.656 ( -0.900 7.461 3.223) 8.177 1.817 ( 5.302 5.346 2.101) 7.817 1.919 ( 2.593 2.214 -1.393) 3.683 2.059 ( 0.105 3.311 -3.879) 5.100 2.111 ( 1.947 9.505 2.877) 10.120 2.163 ( -5.659 3.893 0.804) 6.915 2.358 ( 2.000 2.687 -4.754) 5.816 2.499 ( 7.507 4.357 -2.247) 8.966 2.529 ( 3.042 2.553 -0.432) 3.994 2.678 ( 8.552 4.858 0.345) 9.841 2.793 ( 0.362 3.143 -0.171) 3.168 3.253 ( -5.624 2.619 0.065) 6.205 3.413 ( -2.894 1.105 -4.407) 5.387 3.606 ( 0.973 -2.527 0.028) 2.708 3.678 ( -2.944 -5.087 -2.328) 6.321 3.732 ( 0.939 1.709 2.532) 3.196 3.766 ( -1.072 -4.699 1.789) 5.141 3.845 ( 4.647 1.061 1.431) 4.977 3.847 ( 0.634 -1.473 -1.978) 2.546 4.097 ( -0.796 -4.346 -1.738) 4.748 4.225 ( 2.457 -1.739 -0.287) 3.023 4.323 ( 3.790 -5.862 -5.670) 8.993 4.397 ( 1.446 1.033 -0.803) 1.950 4.519 ( -0.075 2.956 -2.015) 3.578 4.525 ( 1.746 -4.173 4.101) 6.106 4.713 ( -1.699 2.002 1.025) 2.819 4.983 ( -4.049 -1.119 1.163) 4.359 5.066 ( -2.026 -2.198 3.474) 4.583 5.352 ( 2.091 -3.699 -1.092) 4.387 5.396 ( -1.366 -3.252 3.989) 5.324 5.542 ( 1.311 -2.958 -1.257) 3.471 5.722 ( -0.920 -3.239 -0.075) 3.368 ======================= Grid point 180 (82/112) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -6.127 1.573 6.311) 8.935 0.511 ( -2.461 10.253 6.671) 12.477 0.815 ( -4.869 6.912 -5.387) 10.025 0.820 ( -5.489 3.135 -2.434) 6.774 1.053 ( -1.533 9.043 1.842) 9.355 1.214 ( -0.548 1.944 0.653) 2.123 1.276 ( 0.489 8.375 -0.676) 8.417 1.405 ( 4.552 0.224 -0.253) 4.564 1.431 ( -6.453 5.944 12.306) 15.113 1.491 ( -0.071 8.223 0.710) 8.254 1.682 ( 1.522 2.627 -0.236) 3.046 1.874 ( -3.997 1.973 -8.537) 9.631 1.959 ( -4.975 2.580 0.787) 5.659 2.003 ( 3.073 0.265 -0.493) 3.123 2.030 ( 0.081 0.495 0.684) 0.848 2.264 ( 5.430 7.001 -2.386) 9.175 2.400 ( 4.460 8.002 -3.152) 9.688 2.492 ( 0.422 0.841 -2.337) 2.519 2.661 ( -0.906 -4.196 -1.348) 4.499 2.711 ( 0.391 2.286 2.395) 3.334 3.018 ( 16.784 5.424 0.793) 17.656 3.157 ( -3.302 5.402 -0.998) 6.409 3.383 ( 2.901 0.453 -5.568) 6.295 3.511 ( -4.781 -8.413 -3.458) 10.275 3.654 ( -4.963 -8.369 0.529) 9.745 3.700 ( -1.396 -2.671 1.213) 3.248 3.791 ( 0.271 5.313 -2.259) 5.779 3.824 ( 0.392 3.079 1.127) 3.302 3.884 ( -2.394 -0.062 2.320) 3.335 4.130 ( 3.708 -2.136 -4.393) 6.132 4.253 ( -0.229 -1.384 -2.072) 2.502 4.328 ( 1.450 -1.282 -3.888) 4.343 4.477 ( 4.697 -1.500 -0.318) 4.941 4.510 ( 0.147 -0.252 -0.525) 0.601 4.602 ( 1.391 0.332 1.932) 2.404 4.693 ( 0.274 0.769 2.974) 3.084 4.890 ( -5.025 -1.012 1.160) 5.256 5.093 ( 2.818 -2.191 8.492) 9.212 5.368 ( 0.556 -1.857 -2.007) 2.790 5.400 ( -1.445 -5.428 4.241) 7.038 5.549 ( -0.029 -3.111 -1.469) 3.441 5.694 ( -1.059 -2.473 -1.281) 2.980 ======================= Grid point 181 (83/112) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 1.451 11.496 2.303) 11.814 0.732 ( -1.193 11.883 1.523) 12.040 0.836 ( 1.074 6.655 -4.531) 8.122 0.956 ( 0.528 11.285 -4.676) 12.227 1.223 ( -0.826 6.782 2.663) 7.333 1.283 ( -0.395 3.397 -2.514) 4.245 1.413 ( 0.998 3.958 -0.356) 4.098 1.592 ( -0.211 2.942 2.336) 3.762 1.609 ( 2.615 7.624 6.675) 10.465 1.696 ( -4.733 4.571 2.020) 6.883 1.702 ( -1.616 11.962 1.001) 12.112 1.797 ( 1.193 5.910 -3.108) 6.783 1.977 ( -0.485 4.680 2.684) 5.417 1.998 ( -0.320 1.053 -0.874) 1.405 2.087 ( 1.427 -1.473 0.513) 2.114 2.312 ( 0.873 2.753 -5.084) 5.847 2.483 ( -1.118 -4.272 -0.759) 4.480 2.509 ( 0.866 2.341 -3.507) 4.305 2.573 ( -0.220 4.558 0.027) 4.564 3.036 ( 3.753 6.253 5.230) 8.974 3.077 ( -3.130 -8.183 3.381) 9.391 3.180 ( -1.695 1.918 -5.030) 5.644 3.208 ( 1.263 -9.977 -1.128) 10.119 3.473 ( -1.546 0.656 0.899) 1.905 3.550 ( -3.112 -4.627 -0.732) 5.624 3.562 ( 6.069 -2.049 -3.871) 7.485 3.821 ( -0.483 -1.560 4.120) 4.432 3.892 ( 1.068 2.571 -1.823) 3.328 3.952 ( 0.583 4.439 0.474) 4.502 4.074 ( -1.526 -1.127 -3.295) 3.802 4.236 ( -1.701 2.197 0.060) 2.779 4.340 ( 0.074 -2.391 -0.915) 2.562 4.425 ( -1.070 -1.017 0.309) 1.509 4.519 ( -1.156 -1.951 -0.082) 2.269 4.672 ( 0.942 3.048 0.948) 3.328 4.751 ( 1.186 -0.647 -0.029) 1.351 4.819 ( 0.020 2.387 0.425) 2.424 5.111 ( 2.268 -6.878 4.323) 8.434 5.220 ( -2.267 -7.342 0.515) 7.702 5.315 ( 1.620 -4.724 -1.377) 5.180 5.478 ( -0.386 -2.105 -0.476) 2.192 5.617 ( -0.556 -2.727 -0.415) 2.814 ======================= Grid point 182 (84/112) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -1.608 10.009 -1.417) 10.236 0.743 ( 5.329 7.585 1.807) 9.445 0.849 ( 2.501 6.791 -4.767) 8.666 1.040 ( 6.470 9.567 -1.535) 11.651 1.193 ( -3.897 4.317 2.359) 6.276 1.246 ( -1.884 3.000 -0.938) 3.665 1.407 ( -1.266 2.214 -0.671) 2.637 1.449 ( -7.129 5.334 0.355) 8.911 1.681 ( -0.619 7.165 3.576) 8.032 1.701 ( -0.766 7.454 1.243) 7.596 1.725 ( 4.171 7.482 2.715) 8.986 1.870 ( 6.002 7.172 1.431) 9.461 1.957 ( -2.804 -2.352 1.082) 3.816 2.050 ( -2.539 -0.119 -1.564) 2.984 2.092 ( 7.157 6.600 -0.161) 9.737 2.312 ( 1.966 3.165 -4.704) 6.001 2.502 ( 1.126 3.390 0.173) 3.576 2.548 ( 2.811 0.960 -0.611) 3.033 2.593 ( 1.819 1.177 -0.268) 2.183 2.950 ( -7.336 4.981 -1.389) 8.975 3.078 ( -6.435 -2.296 -1.305) 6.956 3.120 ( 1.961 2.703 7.569) 8.272 3.305 ( 5.969 -6.507 -1.138) 8.903 3.402 ( -1.548 0.480 -3.453) 3.815 3.516 ( 1.119 -2.239 -0.026) 2.503 3.662 ( 4.114 -5.905 -3.821) 8.148 3.834 ( -1.354 1.821 3.795) 4.422 3.920 ( 2.126 0.122 -2.240) 3.091 3.938 ( -1.707 5.603 -0.326) 5.866 4.013 ( -3.166 -2.444 0.669) 4.056 4.153 ( -5.977 1.213 3.208) 6.892 4.296 ( -3.307 -2.973 -1.722) 4.769 4.362 ( -3.801 -3.318 2.507) 5.635 4.525 ( 0.353 0.433 1.212) 1.335 4.659 ( -1.642 0.240 -1.922) 2.539 4.749 ( 0.402 1.243 -0.986) 1.637 4.889 ( 4.302 0.584 -0.039) 4.342 5.120 ( -1.721 -6.129 -2.931) 7.008 5.198 ( -0.794 -6.811 3.789) 7.834 5.351 ( 1.996 -7.628 -2.489) 8.268 5.467 ( -0.533 -1.618 0.662) 1.827 5.609 ( -0.263 -2.519 1.121) 2.769 ======================= Grid point 183 (85/112) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 3.271 5.830 -1.127) 6.780 0.865 ( 4.351 5.392 -0.803) 6.975 0.882 ( 3.138 3.966 -5.601) 7.547 1.075 ( -7.231 -2.565 1.591) 7.835 1.117 ( -0.154 7.063 -6.017) 9.280 1.177 ( -2.726 7.246 2.752) 8.217 1.377 ( 1.303 4.499 4.450) 6.461 1.430 ( 1.235 3.117 0.968) 3.490 1.653 ( -2.400 7.698 0.326) 8.070 1.675 ( -1.818 4.302 0.262) 4.678 1.824 ( 1.970 6.252 4.546) 7.977 1.884 ( -2.584 -2.720 -0.838) 3.844 1.979 ( 1.287 5.261 -4.904) 7.306 2.028 ( 2.247 2.245 4.505) 5.512 2.233 ( 5.033 6.195 1.021) 8.046 2.350 ( 3.647 4.039 -3.946) 6.721 2.480 ( -4.394 7.764 -0.546) 8.938 2.557 ( -1.410 5.756 -0.557) 5.953 2.607 ( 1.093 4.051 1.605) 4.492 2.830 ( -4.600 7.607 -0.928) 8.938 2.921 ( -5.606 4.143 0.945) 7.034 3.276 ( 9.806 2.348 3.714) 10.745 3.311 ( -2.296 -2.593 1.276) 3.692 3.516 ( 9.883 -3.870 -3.894) 11.306 3.571 ( 3.235 -4.149 -0.805) 5.322 3.690 ( 0.140 -5.915 -2.257) 6.333 3.800 ( -3.479 4.465 3.887) 6.866 3.839 ( -4.897 1.062 -2.355) 5.537 3.948 ( -0.757 1.592 1.247) 2.159 3.986 ( 0.409 -0.660 0.033) 0.778 4.072 ( -2.811 -4.903 4.061) 6.960 4.194 ( -4.659 -2.812 -1.567) 5.663 4.331 ( -0.859 -5.474 1.702) 5.797 4.502 ( -2.454 -1.842 -3.644) 4.764 4.625 ( 0.057 2.734 -0.347) 2.757 4.757 ( 0.235 1.135 -0.266) 1.189 4.963 ( 2.567 -1.421 -0.009) 2.934 5.061 ( -1.675 -4.937 -3.416) 6.233 5.200 ( -0.860 -5.757 3.498) 6.791 5.349 ( -0.633 -8.837 -3.280) 9.447 5.466 ( -0.041 -1.373 1.079) 1.747 5.619 ( 0.366 -3.569 1.875) 4.048 ======================= Grid point 184 (86/112) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 2.143 3.895 0.855) 4.527 0.814 ( -6.043 2.447 -3.045) 7.195 0.921 ( 0.096 3.083 3.572) 4.719 0.988 ( 0.829 -0.146 -2.088) 2.251 1.052 ( 0.269 5.818 -7.016) 9.118 1.195 ( 1.416 9.287 0.948) 9.442 1.429 ( 0.102 3.053 1.250) 3.301 1.487 ( 2.635 2.937 4.077) 5.674 1.595 ( -2.683 4.076 0.692) 4.929 1.644 ( -0.164 4.628 -1.257) 4.799 1.835 ( -1.770 3.250 4.233) 5.622 1.881 ( 1.976 3.119 -1.394) 3.947 1.948 ( -2.399 3.342 -0.321) 4.127 2.091 ( 1.857 1.954 -0.651) 2.773 2.289 ( -0.547 5.676 1.785) 5.975 2.372 ( 0.610 13.059 -1.574) 13.168 2.427 ( 0.360 3.406 -1.282) 3.657 2.545 ( 0.032 3.008 -0.202) 3.015 2.651 ( 0.924 4.371 0.334) 4.480 2.730 ( -0.761 15.324 0.205) 15.344 2.877 ( -0.603 3.150 0.590) 3.261 3.283 ( -1.126 -3.765 1.555) 4.226 3.513 ( 9.072 1.595 1.157) 9.283 3.558 ( -4.821 -0.004 -0.663) 4.867 3.613 ( -1.956 -3.390 0.205) 3.919 3.662 ( -1.265 -6.163 -1.297) 6.424 3.736 ( -2.395 -0.960 -0.629) 2.655 3.803 ( 2.870 2.648 -0.359) 3.922 3.958 ( -0.715 8.830 1.394) 8.968 3.976 ( 0.196 -7.974 0.776) 8.014 4.074 ( 1.453 -6.580 2.009) 7.032 4.144 ( 2.260 -3.385 -3.678) 5.486 4.329 ( -0.120 -6.558 2.590) 7.052 4.428 ( -0.782 -2.887 -6.568) 7.217 4.642 ( 0.534 6.257 1.495) 6.456 4.747 ( -1.008 -0.404 0.183) 1.101 4.993 ( 0.133 -2.615 0.613) 2.689 5.017 ( -1.422 -4.319 -1.582) 4.814 5.209 ( 0.296 -5.542 2.790) 6.211 5.311 ( -0.871 -7.660 -2.251) 8.032 5.475 ( 0.362 -1.682 0.516) 1.797 5.636 ( 0.313 -4.553 0.987) 4.669 ======================= Grid point 185 (87/112) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -5.608 5.624 2.108) 8.217 0.793 ( -1.358 10.651 1.286) 10.814 0.916 ( -2.485 0.733 -1.387) 2.938 1.018 ( 2.564 7.500 1.854) 8.140 1.115 ( 6.960 -1.846 -2.965) 7.787 1.222 ( 1.082 9.333 -1.338) 9.491 1.408 ( -0.736 4.615 -0.154) 4.676 1.479 ( -3.235 4.886 -3.552) 6.853 1.610 ( 1.416 2.080 5.574) 6.116 1.668 ( 1.525 7.290 0.721) 7.483 1.831 ( -3.521 8.085 2.905) 9.285 1.872 ( -0.881 0.708 3.815) 3.978 1.927 ( 2.624 1.725 -2.170) 3.817 2.099 ( -1.124 -0.459 -3.187) 3.410 2.228 ( -6.180 5.971 1.562) 8.734 2.353 ( -1.570 5.344 -3.063) 6.356 2.493 ( 6.961 8.469 -2.090) 11.160 2.548 ( 0.541 5.024 0.240) 5.059 2.635 ( -0.767 3.327 -0.907) 3.532 2.787 ( 0.606 6.408 2.926) 7.070 2.915 ( 5.340 6.003 1.010) 8.098 3.267 ( -1.495 -1.306 1.216) 2.328 3.439 ( -2.962 1.135 -6.535) 7.264 3.468 ( -8.265 -6.464 0.545) 10.506 3.557 ( -4.789 -8.401 1.071) 9.729 3.639 ( -1.326 -3.711 1.487) 4.212 3.773 ( 3.609 0.551 3.879) 5.327 3.859 ( 1.710 1.001 -1.190) 2.311 3.971 ( 0.980 7.193 0.235) 7.263 3.992 ( 3.211 -3.371 -2.428) 5.250 4.151 ( 3.739 -4.430 -1.372) 5.957 4.205 ( 5.194 -5.231 -4.883) 8.842 4.392 ( 3.839 -2.758 6.345) 7.912 4.407 ( 1.868 -3.082 -5.942) 6.949 4.646 ( -0.176 6.077 -1.212) 6.199 4.730 ( -1.263 0.015 2.710) 2.990 4.957 ( -3.320 -1.010 -0.301) 3.483 5.001 ( -0.393 -3.799 3.159) 4.956 5.237 ( 0.937 -6.861 1.396) 7.064 5.299 ( 0.212 -6.388 -0.211) 6.395 5.483 ( 0.409 -2.263 -0.517) 2.357 5.640 ( -0.064 -4.325 -0.255) 4.333 ======================= Grid point 186 (88/112) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.360 11.605 2.777) 11.939 0.761 ( -2.524 12.264 1.519) 12.613 0.856 ( -0.747 3.634 -4.833) 6.093 1.033 ( -2.965 10.755 -0.615) 11.173 1.214 ( 0.723 6.337 -0.191) 6.381 1.250 ( 4.557 -0.231 -1.285) 4.740 1.407 ( -1.409 4.979 -0.877) 5.248 1.464 ( 6.452 6.348 -1.095) 9.117 1.614 ( -4.940 9.177 10.262) 14.626 1.695 ( 0.848 8.514 0.300) 8.561 1.759 ( -1.358 6.475 0.573) 6.641 1.903 ( -4.926 0.915 -1.921) 5.366 1.977 ( 5.006 -2.795 0.034) 5.733 2.028 ( -1.646 1.317 -0.523) 2.172 2.075 ( -7.769 5.992 2.059) 10.025 2.323 ( 0.726 2.243 -5.334) 5.832 2.527 ( -0.379 2.944 -1.658) 3.401 2.560 ( -2.936 1.732 -1.847) 3.877 2.604 ( -1.927 1.982 -1.946) 3.381 2.869 ( 7.118 9.721 6.131) 13.518 3.045 ( 4.174 -4.121 1.640) 6.091 3.226 ( -2.424 -1.615 -1.443) 3.250 3.297 ( -6.045 -4.712 -0.861) 7.713 3.428 ( 4.183 -1.095 -5.159) 6.732 3.500 ( -0.638 -4.745 1.142) 4.922 3.611 ( -1.923 -5.371 1.339) 5.860 3.833 ( -0.884 -2.320 4.093) 4.787 3.878 ( 0.909 1.965 -0.720) 2.282 3.941 ( -0.887 5.209 -0.102) 5.285 4.084 ( 3.637 -0.848 -4.931) 6.185 4.212 ( 3.569 -1.436 -2.089) 4.378 4.294 ( 4.358 -2.684 -1.804) 5.427 4.419 ( 1.801 -2.425 -3.868) 4.908 4.514 ( 3.164 -0.205 3.109) 4.441 4.636 ( 0.584 1.331 -1.010) 1.770 4.724 ( -0.245 2.714 2.211) 3.509 4.876 ( -4.210 0.390 0.925) 4.328 5.034 ( 1.347 -3.165 5.990) 6.907 5.250 ( -0.418 -8.217 0.232) 8.231 5.304 ( 0.098 -5.173 0.228) 5.179 5.485 ( 0.121 -2.500 -1.007) 2.697 5.631 ( -0.403 -3.416 -0.967) 3.573 ======================= Grid point 187 (89/112) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.011 11.998 1.398) 12.079 0.958 ( -1.315 9.721 -1.182) 9.881 0.982 ( 2.136 7.137 -2.758) 7.944 1.155 ( -1.555 7.636 -2.053) 8.058 1.298 ( -0.142 0.014 0.833) 0.845 1.341 ( 0.706 3.643 -0.758) 3.788 1.461 ( -0.215 0.663 -1.032) 1.245 1.572 ( -1.700 -1.824 0.630) 2.572 1.733 ( 0.887 -0.287 0.786) 1.219 1.790 ( 0.057 4.616 0.181) 4.620 1.904 ( -0.756 8.693 3.957) 9.581 1.966 ( 0.479 5.129 1.389) 5.335 1.994 ( 0.443 3.244 -1.036) 3.434 2.039 ( 0.903 -2.581 1.321) 3.037 2.099 ( -1.236 4.602 1.765) 5.082 2.324 ( 0.046 -4.864 -2.548) 5.491 2.454 ( 0.471 6.426 -1.145) 6.545 2.633 ( 1.050 6.243 1.423) 6.489 2.695 ( -1.717 7.643 -3.731) 8.676 2.842 ( 0.185 -8.328 0.580) 8.350 2.923 ( -0.060 -13.748 0.249) 13.750 3.140 ( 0.654 3.180 1.796) 3.710 3.300 ( -1.517 0.304 2.979) 3.357 3.397 ( 0.209 -0.652 -5.680) 5.721 3.498 ( 1.548 -2.200 -0.140) 2.694 3.561 ( 1.213 2.242 -0.265) 2.563 3.743 ( -0.100 -4.136 2.802) 4.997 3.912 ( 0.570 -0.669 -0.157) 0.893 4.025 ( 1.142 2.140 1.263) 2.735 4.099 ( -1.691 2.224 -3.352) 4.363 4.263 ( -0.321 0.038 0.873) 0.931 4.290 ( 0.535 -2.312 -1.472) 2.793 4.423 ( 1.969 -0.976 -0.671) 2.298 4.434 ( -4.235 -5.146 -1.080) 6.751 4.720 ( 1.472 1.435 1.938) 2.825 4.742 ( -0.751 -0.152 0.279) 0.815 4.883 ( 0.195 1.543 0.874) 1.784 5.010 ( 0.083 -2.814 0.359) 2.838 5.072 ( -0.614 -5.419 0.814) 5.514 5.199 ( 0.669 -6.171 -1.214) 6.324 5.452 ( -0.023 -0.620 -0.198) 0.651 5.569 ( -0.135 -1.857 0.309) 1.888 ======================= Grid point 188 (90/112) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -3.474 9.043 0.806) 9.721 0.947 ( 1.919 10.766 -1.708) 11.068 1.005 ( 1.680 8.010 -2.767) 8.640 1.143 ( -2.687 0.061 2.227) 3.490 1.273 ( -0.822 4.480 1.522) 4.803 1.304 ( -2.113 2.955 -1.131) 3.805 1.451 ( -0.560 1.321 0.766) 1.627 1.536 ( -2.812 3.000 1.106) 4.258 1.771 ( -0.160 1.974 -0.808) 2.139 1.799 ( 1.093 1.079 1.923) 2.461 1.900 ( -6.126 -0.549 1.256) 6.277 1.911 ( 1.241 6.951 0.154) 7.063 1.990 ( 0.692 1.784 -0.266) 1.932 2.099 ( 4.021 6.977 -1.863) 8.266 2.156 ( 4.552 0.493 2.534) 5.233 2.380 ( 4.442 -1.186 -2.330) 5.154 2.514 ( 5.412 2.818 -0.267) 6.108 2.629 ( -1.259 7.618 -2.225) 8.035 2.674 ( -0.002 3.612 1.681) 3.984 2.878 ( 2.876 -7.621 0.241) 8.150 3.024 ( 3.313 -6.098 1.762) 7.160 3.087 ( 0.698 1.155 -0.577) 1.468 3.280 ( -2.202 -1.951 3.349) 4.458 3.368 ( -1.155 -0.118 -2.720) 2.957 3.529 ( 1.659 -4.563 -1.806) 5.180 3.565 ( 2.432 4.047 -4.163) 6.295 3.783 ( 0.770 -3.874 1.473) 4.215 3.905 ( -1.139 -2.270 0.386) 2.569 4.012 ( -2.636 2.134 -2.399) 4.154 4.064 ( -0.895 3.297 2.790) 4.411 4.189 ( -6.248 0.561 1.079) 6.366 4.231 ( -3.482 -1.449 -3.225) 4.962 4.320 ( -5.160 -1.568 2.050) 5.769 4.498 ( 2.193 -2.661 1.540) 3.777 4.665 ( -3.117 0.661 -1.032) 3.349 4.772 ( 0.531 0.073 0.905) 1.051 4.909 ( 1.530 -0.419 0.116) 1.591 5.010 ( -0.529 -3.804 -0.133) 3.843 5.077 ( 0.633 -3.375 1.436) 3.722 5.190 ( -0.618 -7.528 -1.911) 7.792 5.450 ( -0.090 -0.309 0.028) 0.323 5.564 ( -0.446 -1.761 0.374) 1.855 ======================= Grid point 189 (91/112) ======================= q-point: ( 0.33 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.881 7.326 1.681) 7.568 0.956 ( 0.657 6.690 -4.181) 7.916 0.996 ( -4.011 2.216 -2.616) 5.276 1.095 ( 1.386 6.301 1.354) 6.592 1.236 ( -2.889 4.496 -2.881) 6.071 1.320 ( 1.094 5.468 6.519) 8.579 1.452 ( 0.197 1.743 3.942) 4.315 1.493 ( -1.027 3.560 -0.015) 3.705 1.733 ( -2.060 1.217 -0.733) 2.503 1.755 ( -5.776 2.029 1.333) 6.265 1.813 ( -1.437 -2.895 -1.622) 3.616 1.951 ( 1.169 3.682 2.414) 4.555 2.040 ( 2.896 1.049 -1.933) 3.636 2.136 ( 0.858 9.435 -2.510) 9.800 2.275 ( 4.861 -1.908 0.618) 5.259 2.454 ( 4.034 4.386 -2.326) 6.397 2.587 ( -1.788 4.604 0.167) 4.941 2.630 ( 2.224 1.561 0.074) 2.718 2.667 ( 0.368 1.313 0.480) 1.445 2.911 ( -0.604 -0.624 -0.157) 0.883 2.943 ( -4.298 0.322 3.274) 5.412 3.239 ( -2.116 -4.198 0.372) 4.716 3.333 ( 13.935 -2.756 -0.482) 14.213 3.384 ( 5.277 -1.232 -1.138) 5.537 3.541 ( 0.103 -6.610 -1.058) 6.695 3.625 ( 4.329 5.171 -3.829) 7.755 3.781 ( -0.415 -5.903 -0.173) 5.921 3.840 ( -5.236 -2.942 0.361) 6.017 3.967 ( -1.342 4.077 2.848) 5.151 4.020 ( -5.081 2.499 1.511) 5.860 4.067 ( -5.697 1.473 1.114) 5.989 4.161 ( -0.170 -1.355 -6.293) 6.439 4.241 ( -3.427 -1.693 6.002) 7.116 4.487 ( -2.879 1.231 -3.171) 4.456 4.642 ( 1.230 -1.379 1.626) 2.461 4.772 ( -0.875 -0.676 0.957) 1.462 4.938 ( 1.272 -2.973 -0.529) 3.277 4.977 ( -2.346 -1.657 -0.432) 2.904 5.105 ( 0.945 -2.412 1.346) 2.919 5.163 ( -0.625 -7.946 -1.986) 8.214 5.448 ( -0.113 -0.511 0.214) 0.565 5.557 ( -0.347 -2.521 0.308) 2.564 ======================= Grid point 190 (92/112) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.253 5.130 2.463) 5.696 0.898 ( -1.087 5.035 -0.691) 5.197 0.962 ( 1.948 4.004 -5.151) 6.809 1.115 ( -1.221 8.202 1.928) 8.514 1.184 ( 0.161 6.080 -3.749) 7.144 1.366 ( 1.530 6.722 1.990) 7.175 1.483 ( 0.047 2.560 -0.318) 2.580 1.529 ( 2.850 0.509 9.191) 9.636 1.643 ( -4.761 1.378 0.109) 4.957 1.706 ( 0.151 1.156 -3.220) 3.425 1.784 ( 0.131 -3.733 -0.376) 3.754 1.967 ( -1.394 1.265 3.644) 4.101 2.075 ( 2.344 3.757 -3.858) 5.873 2.121 ( -0.773 7.079 -2.087) 7.421 2.336 ( 0.290 -2.305 -0.160) 2.329 2.510 ( -1.086 4.697 -0.786) 4.885 2.551 ( 2.422 5.458 -1.438) 6.142 2.624 ( 0.193 3.982 0.331) 4.001 2.702 ( -0.232 -1.003 0.062) 1.031 2.888 ( -2.525 1.494 3.151) 4.306 2.912 ( 1.410 0.924 0.374) 1.727 3.212 ( -0.158 -3.395 -0.033) 3.399 3.477 ( 0.195 -6.697 0.147) 6.702 3.484 ( -2.720 -7.834 0.020) 8.293 3.589 ( 1.430 2.769 -0.258) 3.127 3.657 ( 0.719 3.318 -0.878) 3.506 3.718 ( 0.128 -2.249 -1.750) 2.852 3.804 ( -1.810 -3.888 0.635) 4.335 3.914 ( 0.059 1.071 -0.371) 1.134 3.976 ( -0.449 -0.912 4.726) 4.834 4.018 ( 2.384 1.639 -0.740) 2.986 4.135 ( -0.008 -0.960 -6.021) 6.097 4.262 ( 2.055 2.205 7.335) 7.930 4.405 ( -1.221 0.967 -6.720) 6.898 4.693 ( 1.222 -1.933 3.434) 4.126 4.748 ( -1.500 -0.102 -0.005) 1.504 4.929 ( -1.119 -2.511 0.019) 2.749 4.956 ( 0.452 -2.862 -0.565) 2.952 5.119 ( -0.423 -2.311 1.092) 2.591 5.152 ( 0.744 -6.077 -1.824) 6.388 5.448 ( -0.006 -1.047 0.214) 1.069 5.554 ( -0.010 -3.330 0.197) 3.336 ======================= Grid point 191 (93/112) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.088 11.040 1.480) 11.139 0.929 ( 1.942 3.551 -1.810) 4.433 0.997 ( 2.880 5.002 -2.409) 6.255 1.114 ( 1.060 4.515 1.294) 4.815 1.193 ( 2.120 6.914 -0.565) 7.254 1.396 ( -0.110 6.673 -0.530) 6.694 1.497 ( 2.080 3.961 -0.656) 4.521 1.536 ( -3.648 -0.195 -4.140) 5.522 1.632 ( 2.233 1.173 7.873) 8.267 1.754 ( 4.860 1.403 0.291) 5.067 1.815 ( 2.813 -3.970 -0.637) 4.907 1.930 ( -3.947 2.672 5.166) 7.029 2.066 ( -3.280 -0.419 -3.334) 4.696 2.104 ( 0.638 9.978 -1.151) 10.065 2.286 ( -4.196 -0.682 -0.448) 4.275 2.450 ( -2.770 4.059 -1.331) 5.091 2.599 ( 1.046 4.624 -0.744) 4.799 2.633 ( -4.122 -1.695 -0.324) 4.468 2.690 ( 3.864 4.126 -2.084) 6.025 2.888 ( 1.273 2.467 3.017) 4.099 2.954 ( 0.756 -0.536 1.882) 2.098 3.227 ( -0.075 -3.239 0.350) 3.258 3.320 ( -10.419 -8.216 1.014) 13.307 3.397 ( -3.956 -2.056 -1.535) 4.715 3.514 ( -3.373 -1.104 1.411) 3.819 3.600 ( -3.693 2.672 -1.880) 4.931 3.765 ( -0.768 -4.335 1.569) 4.674 3.836 ( 5.105 1.495 0.096) 5.320 4.003 ( 5.119 0.361 2.628) 5.766 4.041 ( -0.715 -0.150 -2.077) 2.201 4.076 ( 5.495 -4.543 1.658) 7.320 4.128 ( 4.777 0.598 -5.497) 7.307 4.373 ( 2.211 0.782 -6.980) 7.363 4.396 ( 5.678 2.954 5.400) 8.374 4.670 ( -2.916 -2.567 -0.777) 3.962 4.755 ( 0.539 0.475 2.782) 2.873 4.926 ( -0.757 -2.914 0.677) 3.086 4.965 ( 1.337 -0.047 0.457) 1.414 5.108 ( -1.063 -4.024 1.166) 4.323 5.164 ( 1.192 -5.399 -2.050) 5.896 5.450 ( 0.117 -1.209 0.050) 1.216 5.558 ( 0.288 -3.531 0.137) 3.545 ======================= Grid point 192 (94/112) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.172 12.185 1.347) 12.450 0.956 ( 1.908 5.988 -2.616) 6.808 0.993 ( -1.480 10.137 -1.831) 10.407 1.194 ( 3.752 -1.340 -2.609) 4.763 1.242 ( 1.831 7.013 2.713) 7.739 1.341 ( -2.345 4.957 -1.921) 5.811 1.478 ( -0.624 1.069 -2.432) 2.729 1.560 ( 3.399 2.204 -1.412) 4.291 1.710 ( 1.513 1.503 4.836) 5.286 1.827 ( -0.962 -0.453 -1.222) 1.620 1.877 ( -0.704 3.913 4.159) 5.753 1.914 ( 4.612 1.670 1.794) 5.222 1.963 ( -2.610 1.620 0.961) 3.219 2.074 ( -3.253 6.105 0.007) 6.917 2.180 ( -5.386 3.098 0.107) 6.215 2.385 ( -2.421 0.592 -3.076) 3.959 2.514 ( -5.524 0.033 -0.353) 5.536 2.609 ( 0.527 4.695 0.573) 4.759 2.731 ( 0.933 5.296 -3.797) 6.583 2.879 ( -3.656 -6.434 0.035) 7.400 3.019 ( -0.333 -2.417 3.037) 3.896 3.055 ( -3.923 -1.930 1.572) 4.646 3.292 ( 1.115 -4.802 2.085) 5.353 3.409 ( 4.007 2.237 -6.678) 8.103 3.477 ( -0.671 0.188 2.423) 2.521 3.526 ( -1.676 -0.851 0.667) 1.995 3.766 ( -1.327 -2.768 2.593) 4.018 3.896 ( 0.503 -0.703 0.891) 1.242 3.998 ( 0.285 0.722 -0.107) 0.784 4.112 ( 2.640 2.038 -1.596) 3.697 4.196 ( 5.313 -4.648 0.052) 7.060 4.227 ( 5.291 0.124 -2.182) 5.725 4.385 ( 2.316 -1.301 -4.932) 5.602 4.516 ( 0.581 0.235 0.136) 0.642 4.633 ( 1.754 -0.590 1.696) 2.510 4.766 ( -0.851 0.618 1.939) 2.205 4.897 ( -1.635 -0.544 0.580) 1.818 5.001 ( 0.834 0.203 1.145) 1.431 5.088 ( -1.231 -5.928 0.816) 6.109 5.181 ( 1.374 -5.834 -1.451) 6.167 5.452 ( 0.080 -0.959 -0.173) 0.978 5.566 ( 0.260 -2.842 0.182) 2.860 ======================= Grid point 193 (95/112) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.168 4.732 0.743) 4.793 1.102 ( 0.465 3.748 -1.827) 4.195 1.158 ( -0.874 7.989 -0.485) 8.052 1.188 ( 0.248 -2.918 -0.700) 3.011 1.299 ( -1.764 -3.197 0.553) 3.693 1.359 ( -0.085 2.408 -1.627) 2.907 1.529 ( 1.131 5.012 0.797) 5.199 1.549 ( -1.289 -0.079 0.792) 1.514 1.702 ( 0.328 -1.852 0.163) 1.888 1.770 ( 1.031 -4.337 -0.801) 4.529 1.932 ( 0.352 -5.906 1.811) 6.187 1.986 ( 1.796 -0.665 3.043) 3.595 2.021 ( -1.538 -1.813 2.178) 3.224 2.107 ( -3.815 3.112 3.497) 6.039 2.206 ( 0.538 1.550 -4.015) 4.338 2.226 ( 2.501 3.954 -4.424) 6.439 2.592 ( 0.097 4.470 1.130) 4.611 2.642 ( 0.731 -6.999 -1.293) 7.155 2.724 ( 1.766 1.622 1.158) 2.663 2.845 ( -2.038 7.871 1.734) 8.313 2.907 ( -0.537 9.629 -2.467) 9.955 3.145 ( 0.266 -6.238 -0.776) 6.292 3.267 ( 0.515 4.654 0.400) 4.700 3.470 ( 0.407 1.187 -0.655) 1.416 3.507 ( -2.528 6.139 -0.199) 6.642 3.632 ( 4.543 3.884 0.352) 5.987 3.685 ( -2.646 -1.278 2.206) 3.674 3.882 ( 0.529 -2.097 0.228) 2.175 4.020 ( 0.491 -2.601 2.687) 3.772 4.111 ( -2.464 -1.834 -2.281) 3.826 4.202 ( 5.325 -4.979 -0.112) 7.291 4.266 ( 0.466 -2.449 0.194) 2.500 4.312 ( -3.147 -3.532 -2.687) 5.441 4.405 ( -1.477 -1.690 -1.976) 2.990 4.730 ( 1.727 0.082 2.073) 2.700 4.747 ( -1.880 0.452 0.924) 2.143 4.829 ( -0.170 -4.783 0.510) 4.813 4.949 ( 0.212 -3.101 1.407) 3.411 5.064 ( 0.549 1.208 -1.097) 1.722 5.093 ( -0.771 -3.127 -2.580) 4.126 5.448 ( 0.192 0.239 0.248) 0.395 5.541 ( 0.265 -1.035 0.984) 1.452 ======================= Grid point 194 (96/112) ======================= q-point: ( 0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -3.419 6.351 -1.332) 7.335 1.070 ( -2.621 -1.583 -0.125) 3.065 1.125 ( -0.754 4.525 0.487) 4.614 1.200 ( 1.426 8.021 0.506) 8.162 1.303 ( 1.059 -1.874 0.852) 2.315 1.366 ( -0.110 1.910 1.112) 2.213 1.469 ( -2.626 1.873 0.350) 3.245 1.580 ( -0.639 0.796 0.899) 1.360 1.740 ( 2.307 -3.154 -0.776) 3.984 1.764 ( -1.144 -2.244 -0.152) 2.523 1.880 ( -5.230 -4.065 -0.358) 6.634 1.979 ( -0.719 2.387 -0.059) 2.494 2.035 ( 2.715 -2.980 -0.192) 4.036 2.143 ( 2.923 2.316 4.531) 5.868 2.254 ( 3.879 2.400 0.234) 4.567 2.307 ( 7.054 1.320 -5.323) 8.935 2.608 ( 0.826 3.198 0.639) 3.365 2.659 ( 1.700 -3.116 -0.716) 3.622 2.750 ( -0.247 1.844 -3.505) 3.968 2.845 ( 0.112 4.467 3.651) 5.770 2.968 ( 6.615 3.080 -0.096) 7.297 3.125 ( -1.729 -1.662 0.161) 2.404 3.216 ( -3.187 1.644 -0.924) 3.703 3.407 ( -4.402 2.493 1.385) 5.245 3.479 ( -0.415 0.756 -2.549) 2.691 3.666 ( 1.580 2.891 0.347) 3.313 3.733 ( 1.147 -0.485 1.546) 1.985 3.838 ( -4.593 -3.599 1.121) 5.942 4.004 ( -4.477 -3.140 -3.260) 6.366 4.050 ( 0.782 -3.132 3.162) 4.519 4.190 ( -1.212 0.275 -5.833) 5.964 4.235 ( -3.333 -0.463 -0.750) 3.448 4.299 ( -1.955 -0.162 2.324) 3.041 4.429 ( 3.889 -3.830 2.542) 6.021 4.694 ( -3.298 2.109 -0.558) 3.955 4.753 ( -0.523 -1.340 2.127) 2.568 4.835 ( 0.517 -4.746 0.447) 4.795 4.941 ( -1.328 -4.201 -0.019) 4.406 5.065 ( 0.586 -1.045 -0.897) 1.497 5.096 ( 1.125 0.018 0.001) 1.125 5.450 ( 0.014 0.341 -0.330) 0.475 5.537 ( -0.717 -0.961 -0.198) 1.215 ======================= Grid point 195 (97/112) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -2.490 5.346 -0.093) 5.898 1.021 ( -1.248 2.511 0.653) 2.879 1.116 ( -0.134 7.180 -3.152) 7.843 1.250 ( 2.693 6.979 1.370) 7.605 1.301 ( -2.387 2.164 -0.632) 3.284 1.383 ( 1.450 1.013 5.914) 6.173 1.443 ( -0.673 -2.098 1.037) 2.435 1.549 ( -1.831 0.651 0.682) 2.059 1.708 ( -2.683 -2.250 0.354) 3.520 1.760 ( -5.162 -1.209 -0.165) 5.304 1.773 ( 0.681 -1.471 -4.224) 4.524 1.979 ( 0.071 0.355 1.198) 1.251 2.103 ( 3.754 3.785 -3.712) 6.496 2.209 ( 1.493 -2.558 1.519) 3.328 2.315 ( 0.702 6.130 1.218) 6.289 2.445 ( 7.999 -4.922 -3.915) 10.175 2.625 ( -0.001 0.238 1.686) 1.702 2.654 ( -2.625 0.672 -2.141) 3.454 2.718 ( -0.498 4.082 0.005) 4.112 2.890 ( 1.962 0.489 1.990) 2.837 2.996 ( -4.008 3.159 3.222) 6.035 3.157 ( 0.093 -3.068 -2.124) 3.733 3.197 ( 6.011 -5.171 -1.520) 8.074 3.371 ( 0.172 -2.030 -0.033) 2.037 3.485 ( 4.060 -0.871 -2.811) 5.014 3.684 ( -5.940 -6.125 1.685) 8.697 3.691 ( -1.141 -0.661 2.389) 2.729 3.760 ( -1.136 -1.704 1.396) 2.478 3.908 ( -4.243 -3.847 -2.226) 6.144 4.099 ( 1.644 0.185 -2.009) 2.602 4.135 ( -0.932 5.286 -4.695) 7.131 4.190 ( 1.051 1.900 1.822) 2.834 4.242 ( -4.161 3.627 4.530) 7.141 4.525 ( 2.435 -0.366 2.428) 3.458 4.606 ( -3.490 0.230 -1.544) 3.824 4.740 ( -1.521 -1.687 1.708) 2.841 4.852 ( 0.599 -4.044 0.210) 4.093 4.901 ( -1.827 -5.902 -0.995) 6.258 5.089 ( 1.456 -0.079 0.370) 1.504 5.116 ( 0.556 1.897 0.530) 2.047 5.443 ( -0.382 0.038 -0.777) 0.867 5.516 ( -0.795 -1.501 -0.853) 1.901 ======================= Grid point 196 (98/112) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.006 4.060 0.259) 4.069 1.030 ( 1.581 7.323 -0.447) 7.505 1.093 ( -0.010 7.992 -3.414) 8.691 1.249 ( -1.811 3.322 1.143) 3.952 1.295 ( 0.976 5.876 -0.993) 6.039 1.429 ( 0.339 -1.363 2.881) 3.206 1.490 ( 2.552 -3.508 6.990) 8.227 1.527 ( -0.290 0.797 0.496) 0.983 1.651 ( -2.950 -1.053 -2.465) 3.986 1.680 ( -0.338 -2.637 -1.768) 3.193 1.763 ( 0.886 2.372 -3.157) 4.047 1.977 ( -1.692 -0.430 3.638) 4.035 2.130 ( 0.015 4.651 -3.520) 5.833 2.228 ( 1.306 -3.649 -1.779) 4.265 2.319 ( -0.497 5.917 1.428) 6.107 2.547 ( -1.401 -7.440 -1.898) 7.805 2.570 ( -0.939 -0.153 1.403) 1.696 2.644 ( 3.121 1.011 -2.262) 3.985 2.723 ( -0.221 4.394 0.504) 4.428 2.924 ( 1.192 1.410 0.413) 1.892 2.945 ( -1.663 4.150 4.080) 6.053 3.135 ( 0.251 -3.753 -2.136) 4.326 3.328 ( -1.525 -6.813 -1.112) 7.070 3.340 ( 1.789 -5.688 -0.010) 5.963 3.544 ( -5.987 -6.192 2.542) 8.980 3.598 ( 4.514 -4.350 -1.906) 6.552 3.721 ( 3.625 -4.417 1.501) 5.908 3.780 ( 0.714 -7.709 -2.096) 8.021 3.791 ( -2.610 3.193 0.165) 4.127 4.058 ( -4.173 4.575 2.720) 6.764 4.120 ( -0.357 1.716 -2.848) 3.344 4.191 ( 1.012 9.489 -1.283) 9.629 4.314 ( 5.298 2.516 4.464) 7.371 4.471 ( -2.687 4.869 -3.645) 6.649 4.625 ( 0.988 -4.243 2.644) 5.096 4.717 ( -0.866 -1.803 0.737) 2.131 4.845 ( -0.371 -4.817 -0.413) 4.849 4.883 ( 0.068 -4.227 -0.210) 4.233 5.117 ( 0.598 1.643 0.383) 1.790 5.125 ( 0.475 1.351 -0.397) 1.486 5.431 ( -0.259 -0.494 -0.447) 0.715 5.500 ( -0.360 -2.065 -0.460) 2.146 ======================= Grid point 197 (99/112) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 2.666 1.562 -0.420) 3.118 1.060 ( 1.676 8.060 -1.967) 8.464 1.092 ( 1.537 6.466 -1.977) 6.934 1.238 ( -1.088 5.654 2.477) 6.268 1.301 ( 1.059 3.398 -0.998) 3.696 1.450 ( 0.817 -1.779 0.081) 1.959 1.493 ( -3.615 -2.263 -1.298) 4.458 1.545 ( 1.662 -0.255 0.343) 1.716 1.654 ( 2.429 0.237 3.907) 4.607 1.718 ( 3.605 -3.790 -0.229) 5.236 1.784 ( 2.488 0.884 -1.716) 3.149 1.951 ( -2.583 -0.077 4.093) 4.840 2.076 ( -2.987 1.707 -0.946) 3.568 2.247 ( 0.569 0.694 -2.079) 2.264 2.305 ( -2.080 5.333 1.785) 5.996 2.430 ( -6.104 -6.203 -2.271) 8.994 2.585 ( -0.343 -0.596 2.557) 2.648 2.677 ( -0.900 0.958 -0.794) 1.536 2.727 ( 1.348 1.542 -1.345) 2.450 2.939 ( 0.812 3.052 -2.952) 4.323 3.002 ( 4.010 5.493 4.000) 7.890 3.139 ( -1.478 -4.391 -1.577) 4.894 3.178 ( -6.279 -4.481 0.475) 7.729 3.370 ( 0.198 -1.777 0.030) 1.789 3.452 ( -2.223 -2.633 0.468) 3.478 3.681 ( 2.887 -3.540 1.228) 4.731 3.711 ( -2.248 4.483 0.332) 5.026 3.826 ( 5.890 -4.722 -4.246) 8.662 3.879 ( 4.171 -7.177 0.591) 8.322 4.001 ( -2.248 0.921 5.555) 6.063 4.097 ( 0.135 1.737 0.574) 1.835 4.218 ( 1.270 5.208 -1.754) 5.640 4.366 ( 1.555 0.281 -5.893) 6.101 4.518 ( 5.025 6.385 2.927) 8.636 4.597 ( -3.004 -4.204 -0.696) 5.214 4.733 ( 1.114 -1.659 2.160) 2.943 4.857 ( 0.383 -3.843 -0.154) 3.865 4.883 ( 0.635 -5.590 0.663) 5.664 5.107 ( -0.801 0.508 -1.457) 1.739 5.136 ( 0.473 2.626 -1.137) 2.900 5.431 ( 0.212 -0.624 0.372) 0.757 5.499 ( 0.313 -2.269 0.689) 2.392 ======================= Grid point 198 (100/112) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 3.591 1.530 -1.167) 4.074 1.081 ( 1.049 5.248 -0.311) 5.361 1.130 ( 2.695 3.989 -1.494) 5.041 1.211 ( -1.608 6.114 -0.541) 6.346 1.326 ( 0.423 -2.115 -0.351) 2.185 1.409 ( -3.041 2.147 -2.278) 4.364 1.469 ( 1.736 0.392 -0.104) 1.783 1.580 ( 0.356 0.112 0.732) 0.822 1.711 ( 0.072 -1.223 2.639) 2.910 1.752 ( 0.146 -3.668 0.369) 3.690 1.862 ( 4.227 -3.941 1.189) 5.901 1.936 ( 0.015 -0.037 3.252) 3.252 2.034 ( -0.466 2.018 0.317) 2.096 2.199 ( -5.381 3.697 2.055) 6.845 2.244 ( -2.491 -0.000 -1.637) 2.981 2.294 ( -4.866 -0.855 -3.793) 6.229 2.588 ( -0.420 3.524 2.008) 4.077 2.651 ( -1.364 -4.321 0.010) 4.531 2.711 ( -1.098 2.311 0.700) 2.653 2.913 ( -1.803 3.892 -2.588) 5.010 2.978 ( -6.236 5.210 -1.100) 8.200 3.132 ( 1.810 -0.261 -0.393) 1.871 3.180 ( 4.706 -0.168 2.410) 5.290 3.438 ( 3.328 -0.304 -0.478) 3.376 3.461 ( 4.881 2.044 -1.592) 5.526 3.627 ( -4.777 7.054 2.541) 8.890 3.748 ( -0.222 0.295 0.746) 0.832 3.851 ( -0.415 -3.382 0.390) 3.429 3.967 ( 4.249 -3.466 0.869) 5.552 4.057 ( 5.229 -7.229 0.640) 8.945 4.138 ( 1.377 0.625 1.185) 1.921 4.235 ( 1.767 -1.508 -1.137) 2.587 4.366 ( 0.615 -0.027 -4.538) 4.579 4.488 ( -4.170 -3.032 -3.622) 6.300 4.654 ( 4.089 2.499 3.408) 5.881 4.760 ( -0.003 -0.873 1.903) 2.093 4.840 ( -0.924 -4.107 -0.445) 4.233 4.921 ( 1.414 -5.273 1.937) 5.793 5.077 ( -0.832 -0.148 -2.242) 2.396 5.126 ( -0.582 1.176 -2.349) 2.691 5.440 ( 0.299 -0.210 0.636) 0.734 5.519 ( 0.866 -1.729 1.491) 2.442 ======================= Grid point 199 (101/112) ======================= q-point: ( 0.00 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.297 -6.603 -0.621) 6.639 1.065 ( -0.287 -7.518 -0.424) 7.535 1.196 ( 0.149 3.753 1.473) 4.035 1.239 ( 0.115 3.736 -1.853) 4.172 1.354 ( 0.073 4.310 -0.442) 4.334 1.381 ( -1.241 -0.965 0.385) 1.619 1.546 ( 1.145 -0.290 2.315) 2.599 1.581 ( -1.300 0.370 -1.490) 2.012 1.679 ( -0.104 -0.478 0.546) 0.733 1.710 ( 0.642 -0.894 1.031) 1.508 1.790 ( 0.486 -6.733 1.184) 6.854 1.840 ( -0.633 -8.687 3.604) 9.426 2.045 ( -0.224 1.960 0.370) 2.007 2.088 ( -1.222 -1.036 2.043) 2.596 2.302 ( 2.513 4.610 -4.810) 7.120 2.331 ( 1.236 3.900 -3.723) 5.532 2.574 ( 0.054 2.298 -1.416) 2.699 2.672 ( 0.612 1.651 -0.353) 1.795 2.777 ( -0.277 3.069 1.563) 3.455 2.981 ( -0.651 -5.546 0.920) 5.660 3.042 ( -2.024 8.756 1.001) 9.042 3.106 ( 0.995 6.140 -0.570) 6.246 3.379 ( 1.095 5.401 -1.333) 5.670 3.536 ( 0.871 4.452 0.263) 4.544 3.609 ( -1.202 0.514 -0.025) 1.307 3.655 ( -3.787 2.577 1.740) 4.900 3.718 ( 2.318 1.162 -1.011) 2.783 3.846 ( 0.298 -0.024 1.270) 1.305 3.948 ( -2.008 -3.902 4.442) 6.244 4.010 ( 2.140 -6.806 -1.525) 7.295 4.111 ( 2.310 -3.300 0.863) 4.119 4.164 ( 0.224 -5.375 -0.913) 5.456 4.306 ( -1.228 0.758 -2.699) 3.060 4.365 ( -1.146 -1.977 -2.659) 3.506 4.737 ( 0.200 0.372 2.105) 2.147 4.755 ( -0.363 -1.146 1.243) 1.729 4.763 ( -0.223 0.541 0.311) 0.663 4.874 ( 0.396 -3.950 1.330) 4.187 5.049 ( 0.121 -0.483 -2.585) 2.633 5.082 ( -0.974 -0.668 -2.565) 2.824 5.462 ( 0.343 1.095 0.693) 1.341 5.519 ( 0.460 -1.217 1.191) 1.764 ======================= Grid point 200 (102/112) ======================= q-point: ( 0.17 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.132 -2.931 -0.626) 3.000 1.144 ( 4.336 -4.217 0.254) 6.054 1.201 ( -0.463 4.288 -1.157) 4.466 1.215 ( -0.704 0.979 0.561) 1.330 1.344 ( -0.539 2.425 0.877) 2.634 1.379 ( 0.076 -0.167 0.900) 0.919 1.522 ( -3.103 0.824 0.403) 3.235 1.561 ( -1.263 0.785 0.674) 1.633 1.703 ( 1.969 -1.083 -0.344) 2.273 1.736 ( -1.605 -0.649 -0.106) 1.734 1.778 ( -1.661 -4.199 -0.225) 4.521 1.877 ( 5.910 -8.576 1.103) 10.474 2.042 ( 0.060 2.649 0.121) 2.653 2.131 ( 2.933 -2.257 2.491) 4.462 2.327 ( 1.637 4.776 -3.729) 6.276 2.384 ( 4.818 2.392 -4.127) 6.780 2.601 ( 2.983 0.646 -1.117) 3.250 2.667 ( -0.443 0.501 -1.277) 1.442 2.792 ( 0.913 3.132 1.000) 3.412 2.955 ( -3.842 3.002 4.018) 6.318 2.989 ( -1.196 -0.319 -0.388) 1.297 3.118 ( -0.372 2.115 0.226) 2.160 3.324 ( -4.270 6.573 -2.637) 8.270 3.478 ( -5.833 4.294 1.065) 7.321 3.533 ( -3.226 3.422 -1.783) 5.030 3.609 ( -3.323 -5.295 2.992) 6.931 3.719 ( -3.094 -3.182 -0.051) 4.438 3.784 ( -7.117 -4.408 2.540) 8.748 3.959 ( 0.791 2.027 -2.728) 3.489 4.024 ( 4.902 1.208 1.985) 5.425 4.139 ( -1.462 -3.981 -1.672) 4.558 4.220 ( 4.314 -3.138 -3.823) 6.563 4.293 ( 0.484 0.427 2.646) 2.723 4.365 ( 1.875 -2.245 1.088) 3.121 4.732 ( -1.494 0.253 0.284) 1.542 4.737 ( -2.046 0.502 1.825) 2.787 4.772 ( 0.853 -0.729 0.205) 1.141 4.852 ( -1.960 -3.820 -0.635) 4.340 5.052 ( 1.446 0.070 -0.401) 1.503 5.099 ( 1.993 -0.793 0.349) 2.173 5.465 ( -0.134 1.059 -0.509) 1.182 5.518 ( -0.700 -1.084 -0.528) 1.394 ======================= Grid point 201 (103/112) ======================= q-point: ( 0.33 0.42 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 3.164 2.294 -1.255) 4.104 1.139 ( -1.729 6.582 0.121) 6.806 1.215 ( 1.105 3.365 0.562) 3.586 1.265 ( 3.308 -6.608 -0.346) 7.398 1.343 ( -0.633 -0.257 4.168) 4.224 1.368 ( -1.366 -0.438 -1.278) 1.922 1.467 ( -2.152 3.435 1.153) 4.214 1.524 ( -1.650 0.351 -0.522) 1.766 1.654 ( -3.998 -3.492 -0.444) 5.327 1.702 ( -2.244 -3.238 -3.172) 5.057 1.793 ( 3.482 3.105 0.118) 4.667 1.997 ( 1.585 -0.050 -0.789) 1.772 2.077 ( 4.449 -2.916 -0.821) 5.382 2.210 ( 3.177 -2.730 2.819) 5.049 2.330 ( 0.510 1.791 -2.276) 2.941 2.428 ( 0.560 1.008 -1.775) 2.117 2.633 ( -0.913 -0.125 -0.340) 0.983 2.652 ( -0.227 0.036 -2.969) 2.978 2.808 ( 0.118 4.775 0.136) 4.779 2.933 ( 0.906 3.435 3.380) 4.903 2.990 ( -0.348 -3.343 3.457) 4.821 3.102 ( 0.185 -2.754 0.297) 2.776 3.212 ( -3.733 5.300 -3.775) 7.502 3.381 ( -4.220 2.296 -1.522) 5.040 3.463 ( -0.937 -1.115 -1.356) 1.990 3.527 ( -5.764 -6.404 5.008) 9.965 3.619 ( -4.771 -5.501 0.462) 7.297 3.674 ( -3.312 -6.454 -1.497) 7.407 3.934 ( -2.038 4.064 -1.037) 4.663 4.075 ( -1.240 -2.263 -3.485) 4.337 4.203 ( 6.096 2.412 6.079) 8.941 4.255 ( 3.424 5.347 -4.619) 7.851 4.328 ( 0.269 1.963 2.477) 3.172 4.447 ( 3.931 -5.021 3.019) 7.055 4.658 ( -4.443 2.606 -0.719) 5.201 4.712 ( -1.676 -1.158 1.361) 2.450 4.794 ( 1.030 -1.455 0.150) 1.789 4.812 ( -1.193 -2.233 -1.657) 3.026 5.095 ( 2.081 0.521 1.149) 2.434 5.136 ( 0.887 -0.246 1.308) 1.599 5.451 ( -0.598 0.715 -1.435) 1.711 5.492 ( -1.014 -1.042 -1.507) 2.094 ======================= Grid point 202 (104/112) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.667 4.920 -1.468) 5.177 1.169 ( 2.280 6.020 0.550) 6.460 1.242 ( 0.284 4.879 -1.183) 5.028 1.269 ( -0.770 -0.569 0.272) 0.995 1.327 ( -1.449 -6.569 0.026) 6.727 1.375 ( 1.433 -0.882 3.267) 3.675 1.456 ( -0.167 3.285 1.213) 3.506 1.506 ( 0.315 -2.049 0.123) 2.077 1.605 ( -0.295 -2.993 0.052) 3.007 1.627 ( -1.745 -3.251 -3.534) 5.109 1.854 ( 1.322 5.945 -1.718) 6.328 1.986 ( -0.770 2.740 0.277) 2.859 2.121 ( -0.676 -4.735 -0.597) 4.820 2.271 ( 1.594 4.981 0.529) 5.257 2.330 ( -1.481 -7.706 0.433) 7.859 2.420 ( -0.347 0.706 0.079) 0.791 2.574 ( -2.187 0.403 0.782) 2.357 2.651 ( 1.509 -1.139 -2.539) 3.166 2.807 ( -0.666 4.388 0.517) 4.468 2.968 ( -0.131 0.995 1.853) 2.108 3.001 ( 1.566 0.965 3.623) 4.063 3.110 ( 0.244 1.562 -3.973) 4.276 3.214 ( 3.024 -2.933 -1.006) 4.331 3.279 ( -2.283 -0.761 -1.887) 3.058 3.450 ( -3.969 -2.959 3.862) 6.279 3.482 ( 2.506 -5.984 1.161) 6.590 3.592 ( 2.452 -5.497 -0.723) 6.063 3.623 ( 0.283 -7.686 -4.050) 8.692 3.890 ( -0.940 4.834 0.233) 4.930 4.038 ( -0.718 -2.806 -1.336) 3.190 4.238 ( -4.412 5.946 4.829) 8.839 4.333 ( 0.960 4.027 1.431) 4.380 4.375 ( 3.622 3.203 -1.840) 5.174 4.516 ( 1.157 -4.251 1.142) 4.551 4.586 ( -0.778 3.753 0.066) 3.833 4.686 ( -0.725 -1.392 0.350) 1.608 4.784 ( -0.432 -0.981 -1.015) 1.476 4.811 ( 0.308 -2.338 -0.173) 2.365 5.143 ( 1.748 0.469 0.931) 2.036 5.147 ( -0.323 0.474 0.249) 0.625 5.431 ( -0.442 0.438 -0.995) 1.174 5.467 ( -0.573 -1.226 -0.913) 1.632 ======================= Grid point 203 (105/112) ======================= q-point: (-0.33 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.754 2.481 0.036) 3.038 1.168 ( 0.562 3.571 -2.784) 4.563 1.230 ( -0.142 5.636 -0.304) 5.646 1.261 ( -3.145 -6.396 0.064) 7.128 1.319 ( 0.380 0.052 2.173) 2.207 1.422 ( 1.447 -2.523 -1.095) 3.108 1.476 ( 1.425 3.715 1.594) 4.286 1.501 ( 0.868 -1.568 -0.152) 1.798 1.638 ( 2.856 -2.057 1.534) 3.840 1.647 ( 2.919 -3.418 0.526) 4.525 1.810 ( -3.525 2.596 -1.171) 4.532 1.983 ( -1.708 1.729 0.530) 2.487 2.065 ( -3.074 -2.120 0.058) 3.735 2.238 ( -5.833 -7.335 1.155) 9.442 2.302 ( 1.125 4.533 -0.502) 4.697 2.411 ( -1.043 1.070 -0.155) 1.502 2.586 ( 1.246 0.687 1.920) 2.390 2.661 ( -0.126 -1.412 -1.614) 2.148 2.796 ( -0.289 4.440 1.350) 4.650 2.971 ( -0.030 -0.470 0.305) 0.561 3.051 ( -0.313 -2.115 -1.953) 2.896 3.120 ( 1.219 0.237 -1.118) 1.671 3.182 ( 2.578 7.271 -1.982) 7.965 3.354 ( 5.269 0.577 0.962) 5.387 3.430 ( 1.440 0.365 1.596) 2.180 3.586 ( 5.688 -5.497 1.987) 8.155 3.645 ( 3.596 -7.971 -4.123) 9.668 3.679 ( 6.483 -7.141 -2.760) 10.032 3.900 ( 0.035 5.581 2.426) 6.086 4.027 ( -0.775 -0.034 1.255) 1.475 4.151 ( -5.127 3.819 5.973) 8.749 4.260 ( -6.181 -0.438 -0.313) 6.204 4.406 ( 1.260 2.546 -4.820) 5.595 4.511 ( -2.484 -3.950 -2.930) 5.510 4.624 ( 3.399 3.782 2.536) 5.682 4.704 ( 1.413 -1.264 1.882) 2.671 4.791 ( 1.151 -1.964 0.495) 2.330 4.802 ( -0.872 -2.132 -0.649) 2.393 5.126 ( -1.219 1.094 -1.823) 2.451 5.169 ( 0.448 0.090 -1.348) 1.423 5.428 ( 0.276 0.332 0.630) 0.764 5.464 ( 0.324 -1.324 1.059) 1.725 ======================= Grid point 204 (106/112) ======================= q-point: (-0.17 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.598 -2.945 -0.495) 3.046 1.158 ( -5.384 -7.928 -0.861) 9.622 1.187 ( 0.819 3.218 -0.448) 3.351 1.229 ( 0.599 4.448 -0.217) 4.494 1.338 ( 0.873 1.677 0.427) 1.939 1.415 ( -0.919 -1.633 -1.363) 2.318 1.512 ( 0.962 3.873 1.727) 4.348 1.565 ( 3.307 -0.269 -0.097) 3.319 1.683 ( 0.193 -1.456 2.014) 2.492 1.718 ( 1.099 -1.271 1.131) 2.026 1.751 ( -0.315 -4.438 2.023) 4.888 1.877 ( -5.580 -6.853 0.804) 8.873 2.048 ( 0.108 1.796 -0.215) 1.812 2.142 ( -4.012 -3.039 1.404) 5.225 2.303 ( -0.443 4.169 -1.659) 4.509 2.363 ( -2.288 2.028 -1.828) 3.562 2.600 ( -1.015 1.420 -0.971) 1.997 2.651 ( 0.881 1.225 0.155) 1.517 2.787 ( -1.337 4.457 1.337) 4.841 2.988 ( 0.045 -2.682 0.718) 2.777 3.022 ( 2.023 3.050 -2.872) 4.652 3.118 ( -1.059 3.002 0.263) 3.194 3.297 ( 6.036 7.322 -0.151) 9.490 3.473 ( 4.566 3.090 1.396) 5.687 3.521 ( 6.443 3.509 -0.768) 7.377 3.678 ( 1.849 -4.372 -2.827) 5.525 3.710 ( 2.995 -4.251 -0.000) 5.200 3.819 ( 4.846 -2.619 -0.676) 5.550 3.891 ( 0.489 1.350 3.312) 3.610 3.990 ( -3.510 1.927 3.993) 5.655 4.127 ( -1.213 -2.330 4.059) 4.834 4.163 ( -1.362 -4.826 -1.517) 5.239 4.372 ( -1.957 0.163 -4.803) 5.189 4.424 ( -2.679 -2.664 -4.618) 5.966 4.701 ( 1.943 1.573 3.000) 3.905 4.741 ( 0.883 -0.916 1.977) 2.350 4.776 ( -1.005 -1.201 -0.431) 1.625 4.832 ( 2.086 -3.317 1.369) 4.150 5.080 ( -1.478 0.819 -3.195) 3.614 5.139 ( -1.801 -0.606 -3.396) 3.892 5.445 ( 0.613 0.664 1.391) 1.659 5.490 ( 1.120 -1.255 2.175) 2.749 ======================= Grid point 205 (107/112) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.227 -1.148 -0.456) 1.256 0.956 ( 0.227 1.148 -0.456) 1.256 1.276 ( 0.278 -2.502 0.894) 2.671 1.276 ( 0.278 2.502 0.894) 2.671 1.358 ( -0.460 -1.437 -1.143) 1.892 1.358 ( -0.460 1.437 -1.143) 1.892 1.583 ( -1.153 -2.502 0.695) 2.841 1.583 ( -1.153 2.502 0.695) 2.841 1.669 ( 0.229 -1.436 1.346) 1.981 1.669 ( 0.229 1.436 1.346) 1.981 1.734 ( 0.841 -1.247 1.856) 2.389 1.734 ( 0.841 1.247 1.856) 2.389 2.072 ( -0.471 -0.789 0.749) 1.186 2.072 ( -0.471 0.789 0.749) 1.186 2.363 ( 1.914 -0.925 -4.178) 4.687 2.363 ( 1.914 0.925 -4.178) 4.687 2.654 ( 0.007 -3.497 -1.022) 3.643 2.654 ( 0.007 3.497 -1.022) 3.643 2.858 ( -0.350 -5.245 0.916) 5.336 2.858 ( -0.350 5.245 0.916) 5.336 3.165 ( -0.825 -1.835 1.093) 2.290 3.165 ( -0.825 1.835 1.093) 2.290 3.495 ( 0.681 -6.229 -1.126) 6.367 3.495 ( 0.681 6.229 -1.126) 6.367 3.659 ( 0.249 -4.765 -0.052) 4.772 3.659 ( 0.249 4.765 -0.052) 4.772 3.789 ( -2.824 -7.849 1.274) 8.438 3.789 ( -2.824 7.849 1.274) 8.438 3.923 ( 1.898 -3.371 1.618) 4.194 3.923 ( 1.898 3.371 1.618) 4.194 4.084 ( 0.859 -1.518 0.455) 1.803 4.084 ( 0.859 1.518 0.455) 1.803 4.329 ( -0.846 -1.482 -2.989) 3.442 4.329 ( -0.846 1.482 -2.989) 3.442 4.741 ( 0.003 -0.334 1.555) 1.590 4.741 ( 0.003 0.334 1.555) 1.590 4.803 ( 0.082 -2.830 0.934) 2.981 4.803 ( 0.082 2.830 0.934) 2.981 5.058 ( -0.530 -1.208 -2.831) 3.123 5.058 ( -0.530 1.208 -2.831) 3.123 5.490 ( 0.450 -1.551 1.040) 1.921 5.490 ( 0.450 1.551 1.040) 1.921 ======================= Grid point 207 (108/112) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 4.510 -4.694 -0.606) 6.538 1.006 ( 4.510 4.694 -0.606) 6.538 1.287 ( 0.032 -1.605 1.457) 2.168 1.287 ( 0.032 1.605 1.457) 2.168 1.321 ( -2.087 -2.496 -1.155) 3.453 1.321 ( -2.087 2.496 -1.155) 3.453 1.575 ( -1.246 -3.306 2.246) 4.187 1.575 ( -1.246 3.306 2.246) 4.187 1.693 ( -0.142 -2.877 -1.947) 3.477 1.693 ( -0.142 2.877 -1.947) 3.477 1.763 ( 3.657 -1.560 0.985) 4.096 1.763 ( 3.657 1.560 0.985) 4.096 2.088 ( 1.301 -1.992 0.763) 2.499 2.088 ( 1.301 1.992 0.763) 2.499 2.393 ( 2.511 -1.402 -4.301) 5.174 2.393 ( 2.511 1.402 -4.301) 5.174 2.645 ( 0.239 -2.379 -0.877) 2.547 2.645 ( 0.239 2.379 -0.877) 2.547 2.877 ( 1.029 -4.870 1.645) 5.243 2.877 ( 1.029 4.870 1.645) 5.243 3.097 ( -5.207 -4.594 1.233) 7.053 3.097 ( -5.207 4.594 1.233) 7.053 3.451 ( -4.388 -5.672 -1.006) 7.242 3.451 ( -4.388 5.673 -1.006) 7.242 3.602 ( -4.794 -3.091 -0.347) 5.715 3.602 ( -4.794 3.091 -0.347) 5.715 3.666 ( -6.748 -3.648 1.226) 7.769 3.666 ( -6.748 3.648 1.226) 7.769 4.038 ( 2.270 -3.808 1.754) 4.767 4.038 ( 2.270 3.808 1.754) 4.767 4.118 ( 5.372 -5.104 -1.646) 7.591 4.118 ( 5.372 5.104 -1.646) 7.591 4.323 ( 1.065 -1.954 0.047) 2.225 4.323 ( 1.065 1.954 0.047) 2.225 4.736 ( -1.516 -0.284 0.915) 1.793 4.736 ( -1.516 0.284 0.915) 1.793 4.794 ( -0.503 -1.976 -0.194) 2.048 4.794 ( -0.503 1.976 -0.194) 2.048 5.070 ( 1.949 -1.574 0.047) 2.506 5.070 ( 1.949 1.574 0.047) 2.506 5.491 ( -0.424 -1.440 -0.582) 1.610 5.491 ( -0.424 1.440 -0.582) 1.610 ======================= Grid point 209 (109/112) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 5.270 -6.269 -0.716) 8.221 1.115 ( 5.270 6.269 -0.716) 8.221 1.268 ( -1.656 -4.824 -0.955) 5.189 1.268 ( -1.656 4.824 -0.955) 5.189 1.296 ( -0.182 -2.550 1.920) 3.197 1.296 ( -0.182 2.550 1.920) 3.197 1.550 ( -1.832 -4.126 1.393) 4.724 1.550 ( -1.832 4.126 1.393) 4.724 1.624 ( -3.723 -3.977 -2.951) 6.195 1.624 ( -3.723 3.977 -2.951) 6.195 1.897 ( 6.664 -6.554 0.083) 9.347 1.897 ( 6.664 6.554 0.083) 9.347 2.119 ( 1.233 -4.477 -0.149) 4.646 2.119 ( 1.233 4.477 -0.149) 4.646 2.402 ( -0.115 -3.168 -0.876) 3.289 2.402 ( -0.115 3.168 -0.876) 3.289 2.642 ( -0.741 -0.895 -2.443) 2.705 2.642 ( -0.741 0.895 -2.443) 2.705 2.905 ( 0.461 -4.493 2.234) 5.039 2.905 ( 0.461 4.493 2.234) 5.039 3.027 ( -0.721 -4.844 1.227) 5.049 3.027 ( -0.721 4.844 1.227) 5.049 3.327 ( -5.856 -5.728 -0.134) 8.193 3.327 ( -5.856 5.728 -0.134) 8.193 3.505 ( -4.970 -5.265 -0.417) 7.253 3.505 ( -4.970 5.265 -0.417) 7.253 3.539 ( -3.561 -5.210 -0.703) 6.350 3.539 ( -3.561 5.210 -0.703) 6.350 4.014 ( -2.332 -3.511 -0.800) 4.290 4.014 ( -2.332 3.511 -0.800) 4.290 4.280 ( 7.217 -4.015 2.117) 8.526 4.280 ( 7.217 4.015 2.117) 8.526 4.362 ( 1.962 -3.558 0.564) 4.102 4.362 ( 1.962 3.558 0.564) 4.102 4.691 ( -2.686 -0.963 0.561) 2.907 4.691 ( -2.686 0.963 0.561) 2.907 4.790 ( 0.128 -0.580 -0.889) 1.069 4.790 ( 0.128 0.580 -0.889) 1.069 5.115 ( 1.603 -1.383 1.422) 2.551 5.115 ( 1.603 1.383 1.422) 2.551 5.470 ( -0.851 -1.072 -1.630) 2.129 5.470 ( -0.851 1.072 -1.630) 2.129 ======================= Grid point 211 (110/112) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.508 -6.828 -1.215) 6.954 1.161 ( -0.508 6.828 -1.215) 6.954 1.259 ( 0.001 -2.014 -0.119) 2.018 1.259 ( 0.001 2.014 -0.119) 2.018 1.315 ( 1.012 -3.673 2.145) 4.372 1.315 ( 1.012 3.673 2.145) 4.372 1.530 ( -0.407 -3.738 -0.043) 3.761 1.530 ( -0.407 3.738 -0.043) 3.761 1.548 ( -0.754 -4.143 -1.607) 4.508 1.548 ( -0.754 4.143 -1.607) 4.508 1.982 ( 0.549 -5.891 -0.779) 5.968 1.982 ( 0.549 5.891 -0.779) 5.968 2.129 ( -0.118 -7.843 -0.638) 7.869 2.129 ( -0.118 7.843 -0.638) 7.869 2.393 ( -0.822 -3.666 2.093) 4.301 2.393 ( -0.822 3.666 2.093) 4.301 2.605 ( -0.356 -2.562 -1.761) 3.130 2.605 ( -0.356 2.562 -1.761) 3.130 2.907 ( -1.175 -4.834 1.823) 5.298 2.907 ( -1.175 4.834 1.823) 5.298 3.069 ( 2.477 -4.052 -0.229) 4.754 3.069 ( 2.477 4.052 -0.229) 4.754 3.256 ( 0.455 -3.517 -0.590) 3.595 3.256 ( 0.455 3.517 -0.590) 3.595 3.413 ( -1.555 -2.496 -0.401) 2.968 3.413 ( -1.555 2.496 -0.401) 2.968 3.527 ( 1.472 -1.053 -1.118) 2.127 3.527 ( 1.472 1.053 -1.118) 2.127 3.974 ( -0.518 -3.497 -0.450) 3.563 3.974 ( -0.518 3.497 -0.450) 3.563 4.340 ( -4.090 -3.457 6.077) 8.100 4.340 ( -4.090 3.457 6.077) 8.100 4.433 ( 4.575 -2.897 -3.391) 6.389 4.433 ( 4.575 2.897 -3.391) 6.389 4.651 ( -0.736 -2.294 0.470) 2.455 4.651 ( -0.736 2.294 0.470) 2.455 4.785 ( -0.113 -0.639 -0.661) 0.926 4.785 ( -0.113 0.639 -0.661) 0.926 5.146 ( 0.812 -0.179 0.721) 1.100 5.146 ( 0.812 0.179 0.721) 1.100 5.446 ( -0.574 -0.918 -1.082) 1.530 5.446 ( -0.574 0.918 -1.082) 1.530 ======================= Grid point 213 (111/112) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -4.595 -6.651 0.191) 8.086 1.106 ( -4.595 6.651 0.191) 8.086 1.246 ( 0.070 -4.740 0.181) 4.744 1.246 ( 0.070 4.740 0.181) 4.744 1.341 ( 0.933 -4.912 -0.856) 5.073 1.341 ( 0.933 4.912 -0.856) 5.073 1.547 ( 2.249 -2.557 2.028) 3.964 1.547 ( 2.249 2.557 2.028) 3.964 1.584 ( 2.670 -2.218 -0.191) 3.477 1.584 ( 2.670 2.218 -0.191) 3.477 1.905 ( -6.542 -6.144 -0.559) 8.992 1.905 ( -6.542 6.144 -0.559) 8.992 2.116 ( -0.872 -4.999 0.013) 5.074 2.116 ( -0.872 4.999 0.013) 5.074 2.386 ( -0.886 -3.074 0.750) 3.286 2.386 ( -0.886 3.074 0.750) 3.286 2.620 ( 1.604 -2.310 -0.362) 2.836 2.620 ( 1.604 2.310 -0.362) 2.836 2.897 ( -0.535 -5.120 2.412) 5.685 2.897 ( -0.535 5.120 2.412) 5.685 3.081 ( 0.578 -3.080 -3.158) 4.449 3.081 ( 0.578 3.080 -3.158) 4.449 3.337 ( 5.961 -5.138 -0.931) 7.925 3.337 ( 5.961 5.138 -0.931) 7.925 3.466 ( 5.590 -4.626 1.759) 7.466 3.466 ( 5.590 4.626 1.759) 7.466 3.572 ( 4.255 -2.485 -2.751) 5.643 3.572 ( 4.255 2.485 -2.751) 5.643 3.994 ( 1.801 -3.164 1.251) 3.850 3.994 ( 1.801 3.164 1.251) 3.850 4.226 ( -8.862 -2.901 4.759) 10.469 4.226 ( -8.862 2.901 4.759) 10.469 4.448 ( -0.671 -2.136 -5.130) 5.598 4.448 ( -0.671 2.136 -5.130) 5.598 4.676 ( 1.862 -1.642 2.001) 3.189 4.676 ( 1.862 1.642 2.001) 3.189 4.780 ( -0.120 -0.413 -0.011) 0.430 4.780 ( -0.120 0.413 -0.011) 0.430 5.151 ( -0.359 -1.354 -1.798) 2.279 5.151 ( -0.359 1.354 -1.798) 2.279 5.441 ( 0.287 -0.907 0.973) 1.361 5.441 ( 0.287 0.907 0.973) 1.361 ======================= Grid point 215 (112/112) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.83e-04 5.83e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -4.227 -4.628 -0.134) 6.270 1.003 ( -4.227 4.628 -0.134) 6.270 1.264 ( 0.559 -3.264 1.252) 3.541 1.264 ( 0.559 3.264 1.252) 3.541 1.353 ( 1.134 -3.505 -1.804) 4.102 1.353 ( 1.134 3.505 -1.804) 4.102 1.611 ( 0.330 -1.093 -1.338) 1.759 1.611 ( 0.330 1.093 -1.338) 1.759 1.627 ( 2.482 -1.322 4.298) 5.137 1.627 ( 2.482 1.322 4.298) 5.137 1.762 ( -5.552 -3.001 0.962) 6.384 1.762 ( -5.552 3.001 0.962) 6.384 2.093 ( -1.359 -2.221 0.293) 2.620 2.093 ( -1.359 2.221 0.293) 2.620 2.366 ( -0.492 -1.603 -1.614) 2.328 2.366 ( -0.492 1.603 -1.614) 2.328 2.645 ( 1.133 -1.778 -0.967) 2.320 2.645 ( 1.133 1.778 -0.967) 2.320 2.884 ( -1.979 -5.101 1.085) 5.578 2.884 ( -1.979 5.101 1.085) 5.578 3.119 ( 3.901 -3.299 -0.839) 5.177 3.119 ( 3.901 3.299 -0.839) 5.177 3.446 ( 4.171 -6.678 -0.453) 7.887 3.446 ( 4.171 6.678 -0.453) 7.887 3.596 ( 5.246 -4.440 -0.089) 6.873 3.596 ( 5.246 4.440 -0.089) 6.873 3.691 ( 7.512 -5.441 -1.266) 9.361 3.691 ( 7.512 5.441 -1.266) 9.361 4.021 ( -4.913 -6.998 4.583) 9.701 4.021 ( -4.913 6.998 4.583) 9.701 4.070 ( -3.126 -4.469 1.121) 5.568 4.070 ( -3.126 4.469 1.121) 5.568 4.384 ( -1.980 -1.289 -5.216) 5.726 4.384 ( -1.980 1.289 -5.216) 5.726 4.722 ( 1.012 -0.897 2.358) 2.718 4.722 ( 1.012 0.897 2.358) 2.718 4.785 ( 0.586 -1.415 0.641) 1.660 4.785 ( 0.586 1.415 0.641) 1.660 5.109 ( -1.885 -1.845 -3.731) 4.569 5.109 ( -1.885 1.845 -3.731) 4.569 5.465 ( 0.924 -1.207 2.008) 2.519 5.465 ( 0.924 1.207 2.008) 2.519 =================== 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 3/15120 10.0 24.718 40.958 18.581 0.000 3.898 0.000 3/15120 20.0 5.929 11.829 4.664 0.000 0.684 0.000 3/15120 30.0 2.988 6.126 2.360 0.000 0.295 0.000 3/15120 40.0 1.968 4.017 1.539 0.000 0.169 0.000 3/15120 50.0 1.474 2.982 1.144 0.000 0.113 0.000 3/15120 60.0 1.186 2.381 0.917 0.000 0.084 0.000 3/15120 70.0 0.996 1.989 0.770 0.000 0.066 0.000 3/15120 80.0 0.862 1.714 0.667 0.000 0.055 0.000 3/15120 90.0 0.761 1.508 0.589 0.000 0.047 0.000 3/15120 100.0 0.682 1.349 0.528 0.000 0.041 0.000 3/15120 110.0 0.618 1.221 0.480 0.000 0.036 0.000 3/15120 120.0 0.565 1.116 0.439 0.000 0.033 0.000 3/15120 130.0 0.521 1.028 0.406 0.000 0.030 0.000 3/15120 140.0 0.483 0.953 0.377 0.000 0.028 0.000 3/15120 150.0 0.451 0.889 0.352 0.000 0.025 0.000 3/15120 160.0 0.423 0.833 0.330 0.000 0.024 0.000 3/15120 170.0 0.398 0.783 0.311 0.000 0.022 0.000 3/15120 180.0 0.375 0.740 0.294 0.000 0.021 0.000 3/15120 190.0 0.356 0.701 0.278 0.000 0.020 0.000 3/15120 200.0 0.338 0.665 0.264 0.000 0.019 0.000 3/15120 210.0 0.322 0.634 0.252 0.000 0.018 0.000 3/15120 220.0 0.307 0.605 0.241 0.000 0.017 0.000 3/15120 230.0 0.294 0.579 0.230 0.000 0.016 0.000 3/15120 240.0 0.282 0.554 0.221 0.000 0.015 0.000 3/15120 250.0 0.270 0.532 0.212 0.000 0.015 0.000 3/15120 260.0 0.260 0.512 0.204 0.000 0.014 0.000 3/15120 270.0 0.250 0.493 0.196 0.000 0.014 0.000 3/15120 280.0 0.241 0.475 0.189 0.000 0.013 0.000 3/15120 290.0 0.233 0.459 0.183 0.000 0.013 0.000 3/15120 300.0 0.225 0.444 0.177 0.000 0.012 0.000 3/15120 310.0 0.218 0.429 0.171 0.000 0.012 0.000 3/15120 320.0 0.211 0.416 0.166 0.000 0.012 0.000 3/15120 330.0 0.205 0.403 0.161 0.000 0.011 0.000 3/15120 340.0 0.199 0.392 0.156 0.000 0.011 0.000 3/15120 350.0 0.193 0.380 0.152 0.000 0.011 0.000 3/15120 360.0 0.188 0.370 0.148 0.000 0.010 0.000 3/15120 370.0 0.183 0.360 0.144 0.000 0.010 0.000 3/15120 380.0 0.178 0.350 0.140 0.000 0.010 0.000 3/15120 390.0 0.173 0.341 0.136 0.000 0.009 0.000 3/15120 400.0 0.169 0.333 0.133 0.000 0.009 0.000 3/15120 410.0 0.165 0.325 0.130 0.000 0.009 0.000 3/15120 420.0 0.161 0.317 0.127 0.000 0.009 0.000 3/15120 430.0 0.157 0.310 0.124 0.000 0.009 0.000 3/15120 440.0 0.154 0.303 0.121 0.000 0.008 0.000 3/15120 450.0 0.150 0.296 0.118 0.000 0.008 0.000 3/15120 460.0 0.147 0.290 0.116 0.000 0.008 0.000 3/15120 470.0 0.144 0.284 0.113 0.000 0.008 0.000 3/15120 480.0 0.141 0.278 0.111 0.000 0.008 0.000 3/15120 490.0 0.138 0.272 0.109 0.000 0.008 0.000 3/15120 500.0 0.135 0.267 0.107 0.000 0.007 0.000 3/15120 510.0 0.133 0.261 0.104 0.000 0.007 0.000 3/15120 520.0 0.130 0.256 0.102 0.000 0.007 0.000 3/15120 530.0 0.128 0.251 0.101 0.000 0.007 0.000 3/15120 540.0 0.125 0.247 0.099 0.000 0.007 0.000 3/15120 550.0 0.123 0.242 0.097 0.000 0.007 0.000 3/15120 560.0 0.121 0.238 0.095 0.000 0.007 0.000 3/15120 570.0 0.119 0.234 0.093 0.000 0.006 0.000 3/15120 580.0 0.117 0.230 0.092 0.000 0.006 0.000 3/15120 590.0 0.115 0.226 0.090 0.000 0.006 0.000 3/15120 600.0 0.113 0.222 0.089 0.000 0.006 0.000 3/15120 610.0 0.111 0.219 0.087 0.000 0.006 0.000 3/15120 620.0 0.109 0.215 0.086 0.000 0.006 0.000 3/15120 630.0 0.107 0.212 0.085 0.000 0.006 0.000 3/15120 640.0 0.106 0.208 0.083 0.000 0.006 0.000 3/15120 650.0 0.104 0.205 0.082 0.000 0.006 0.000 3/15120 660.0 0.103 0.202 0.081 0.000 0.006 0.000 3/15120 670.0 0.101 0.199 0.080 0.000 0.005 0.000 3/15120 680.0 0.100 0.196 0.078 0.000 0.005 0.000 3/15120 690.0 0.098 0.193 0.077 0.000 0.005 0.000 3/15120 700.0 0.097 0.191 0.076 0.000 0.005 0.000 3/15120 710.0 0.095 0.188 0.075 0.000 0.005 0.000 3/15120 720.0 0.094 0.185 0.074 0.000 0.005 0.000 3/15120 730.0 0.093 0.183 0.073 0.000 0.005 0.000 3/15120 740.0 0.091 0.180 0.072 0.000 0.005 0.000 3/15120 750.0 0.090 0.178 0.071 0.000 0.005 0.000 3/15120 760.0 0.089 0.176 0.070 0.000 0.005 0.000 3/15120 770.0 0.088 0.173 0.069 0.000 0.005 0.000 3/15120 780.0 0.087 0.171 0.068 0.000 0.005 0.000 3/15120 790.0 0.086 0.169 0.068 0.000 0.005 0.000 3/15120 800.0 0.085 0.167 0.067 0.000 0.005 0.000 3/15120 810.0 0.084 0.165 0.066 0.000 0.005 0.000 3/15120 820.0 0.083 0.163 0.065 0.000 0.004 0.000 3/15120 830.0 0.082 0.161 0.064 0.000 0.004 0.000 3/15120 840.0 0.081 0.159 0.064 0.000 0.004 0.000 3/15120 850.0 0.080 0.157 0.063 0.000 0.004 0.000 3/15120 860.0 0.079 0.155 0.062 0.000 0.004 0.000 3/15120 870.0 0.078 0.153 0.061 0.000 0.004 0.000 3/15120 880.0 0.077 0.152 0.061 0.000 0.004 0.000 3/15120 890.0 0.076 0.150 0.060 0.000 0.004 0.000 3/15120 900.0 0.075 0.148 0.059 0.000 0.004 0.000 3/15120 910.0 0.074 0.147 0.059 0.000 0.004 0.000 3/15120 920.0 0.074 0.145 0.058 0.000 0.004 0.000 3/15120 930.0 0.073 0.143 0.057 0.000 0.004 0.000 3/15120 940.0 0.072 0.142 0.057 0.000 0.004 0.000 3/15120 950.0 0.071 0.140 0.056 0.000 0.004 0.000 3/15120 960.0 0.071 0.139 0.056 0.000 0.004 0.000 3/15120 970.0 0.070 0.138 0.055 0.000 0.004 0.000 3/15120 980.0 0.069 0.136 0.054 0.000 0.004 0.000 3/15120 990.0 0.068 0.135 0.054 0.000 0.004 0.000 3/15120 1000.0 0.068 0.133 0.053 0.000 0.004 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m6125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:46:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|