----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:17:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.742662180314496 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224684330000000 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *3 Na 0.29096797694509 0.08296257057423 0.75976373149408 22.990 4 Na 0.70903202305491 0.58296257057422 0.74023626850592 22.990 5 Na 0.70903202305491 0.91703742942578 0.24023626850592 22.990 6 Na 0.29096797694509 0.41703742942577 0.25976373149408 22.990 *7 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 8 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 *9 Cl 0.90416489965858 0.93647073048222 0.76145356168716 35.453 10 Cl 0.09583510034143 0.43647073048222 0.73854643831284 35.453 11 Cl 0.09583510034143 0.06352926951778 0.23854643831284 35.453 12 Cl 0.90416489965858 0.56352926951778 0.26145356168716 35.453 *13 Cl 0.62167881254958 0.81954896232740 0.93488109969288 35.453 14 Cl 0.37832118745042 0.31954896232740 0.56511890030712 35.453 15 Cl 0.37832118745042 0.18045103767260 0.06511890030712 35.453 16 Cl 0.62167881254958 0.68045103767260 0.43488109969288 35.453 *17 Cl 0.25038823208319 0.69861821393973 0.08074406749551 35.453 18 Cl 0.74961176791681 0.19861821393973 0.41925593250449 35.453 19 Cl 0.74961176791681 0.30138178606027 0.91925593250449 35.453 20 Cl 0.25038823208319 0.80138178606027 0.58074406749551 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.742662180314496 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224684330000000 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 2 *3 Na 0.29096797694509 0.08296257057423 0.75976373149408 22.990 > 3 4 Na 0.70903202305491 0.58296257057422 0.74023626850592 22.990 > 4 5 Na 0.70903202305491 0.91703742942578 0.24023626850592 22.990 > 5 6 Na 0.29096797694509 0.41703742942577 0.25976373149408 22.990 > 6 *7 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 7 8 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 8 *9 Cl 0.90416489965858 0.93647073048222 0.76145356168716 35.453 > 9 10 Cl 0.09583510034143 0.43647073048222 0.73854643831284 35.453 > 10 11 Cl 0.09583510034143 0.06352926951778 0.23854643831284 35.453 > 11 12 Cl 0.90416489965858 0.56352926951778 0.26145356168716 35.453 > 12 *13 Cl 0.62167881254958 0.81954896232740 0.93488109969288 35.453 > 13 14 Cl 0.37832118745042 0.31954896232740 0.56511890030712 35.453 > 14 15 Cl 0.37832118745042 0.18045103767260 0.06511890030712 35.453 > 15 16 Cl 0.62167881254958 0.68045103767260 0.43488109969288 35.453 > 16 *17 Cl 0.25038823208319 0.69861821393973 0.08074406749551 35.453 > 17 18 Cl 0.74961176791681 0.19861821393973 0.41925593250449 35.453 > 18 19 Cl 0.74961176791681 0.30138178606027 0.91925593250449 35.453 > 19 20 Cl 0.25038823208319 0.80138178606027 0.58074406749551 35.453 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.485324360628992 0.000000000000000 0.000000000000000 b 0.000000000000000 14.449368659999999 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): *1 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 2 6 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 2 7 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 2 8 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 2 *9 Na 0.14548398847255 0.04148128528711 0.75976373149408 22.990 > 3 10 Na 0.64548398847255 0.04148128528711 0.75976373149408 22.990 > 3 11 Na 0.14548398847255 0.54148128528711 0.75976373149408 22.990 > 3 12 Na 0.64548398847255 0.54148128528711 0.75976373149408 22.990 > 3 13 Na 0.35451601152745 0.29148128528711 0.74023626850592 22.990 > 4 14 Na 0.85451601152745 0.29148128528711 0.74023626850592 22.990 > 4 15 Na 0.35451601152745 0.79148128528711 0.74023626850592 22.990 > 4 16 Na 0.85451601152745 0.79148128528711 0.74023626850592 22.990 > 4 17 Na 0.35451601152745 0.45851871471289 0.24023626850592 22.990 > 5 18 Na 0.85451601152745 0.45851871471289 0.24023626850592 22.990 > 5 19 Na 0.35451601152745 0.95851871471289 0.24023626850592 22.990 > 5 20 Na 0.85451601152745 0.95851871471289 0.24023626850592 22.990 > 5 21 Na 0.14548398847255 0.20851871471289 0.25976373149408 22.990 > 6 22 Na 0.64548398847255 0.20851871471289 0.25976373149408 22.990 > 6 23 Na 0.14548398847255 0.70851871471289 0.25976373149408 22.990 > 6 24 Na 0.64548398847255 0.70851871471289 0.25976373149408 22.990 > 6 *25 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 7 26 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 7 27 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 7 28 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 7 29 Er 0.00000000000000 0.25000000000000 0.50000000000000 167.259 > 8 30 Er 0.50000000000000 0.25000000000000 0.50000000000000 167.259 > 8 31 Er 0.00000000000000 0.75000000000000 0.50000000000000 167.259 > 8 32 Er 0.50000000000000 0.75000000000000 0.50000000000000 167.259 > 8 *33 Cl 0.45208244982929 0.46823536524111 0.76145356168716 35.453 > 9 34 Cl 0.95208244982929 0.46823536524111 0.76145356168716 35.453 > 9 35 Cl 0.45208244982929 0.96823536524111 0.76145356168716 35.453 > 9 36 Cl 0.95208244982929 0.96823536524111 0.76145356168716 35.453 > 9 37 Cl 0.04791755017071 0.21823536524111 0.73854643831284 35.453 > 10 38 Cl 0.54791755017071 0.21823536524111 0.73854643831284 35.453 > 10 39 Cl 0.04791755017071 0.71823536524111 0.73854643831284 35.453 > 10 40 Cl 0.54791755017071 0.71823536524111 0.73854643831284 35.453 > 10 41 Cl 0.04791755017071 0.03176463475889 0.23854643831284 35.453 > 11 42 Cl 0.54791755017071 0.03176463475889 0.23854643831284 35.453 > 11 43 Cl 0.04791755017071 0.53176463475889 0.23854643831284 35.453 > 11 44 Cl 0.54791755017071 0.53176463475889 0.23854643831284 35.453 > 11 45 Cl 0.45208244982929 0.28176463475889 0.26145356168716 35.453 > 12 46 Cl 0.95208244982929 0.28176463475889 0.26145356168716 35.453 > 12 47 Cl 0.45208244982929 0.78176463475889 0.26145356168716 35.453 > 12 48 Cl 0.95208244982929 0.78176463475889 0.26145356168716 35.453 > 12 *49 Cl 0.31083940627479 0.40977448116370 0.93488109969288 35.453 > 13 50 Cl 0.81083940627479 0.40977448116370 0.93488109969288 35.453 > 13 51 Cl 0.31083940627479 0.90977448116370 0.93488109969288 35.453 > 13 52 Cl 0.81083940627479 0.90977448116370 0.93488109969288 35.453 > 13 53 Cl 0.18916059372521 0.15977448116370 0.56511890030712 35.453 > 14 54 Cl 0.68916059372521 0.15977448116370 0.56511890030712 35.453 > 14 55 Cl 0.18916059372521 0.65977448116370 0.56511890030712 35.453 > 14 56 Cl 0.68916059372521 0.65977448116370 0.56511890030712 35.453 > 14 57 Cl 0.18916059372521 0.09022551883630 0.06511890030712 35.453 > 15 58 Cl 0.68916059372521 0.09022551883630 0.06511890030712 35.453 > 15 59 Cl 0.18916059372521 0.59022551883630 0.06511890030712 35.453 > 15 60 Cl 0.68916059372521 0.59022551883630 0.06511890030712 35.453 > 15 61 Cl 0.31083940627479 0.34022551883630 0.43488109969288 35.453 > 16 62 Cl 0.81083940627479 0.34022551883630 0.43488109969288 35.453 > 16 63 Cl 0.31083940627479 0.84022551883630 0.43488109969288 35.453 > 16 64 Cl 0.81083940627479 0.84022551883630 0.43488109969288 35.453 > 16 *65 Cl 0.12519411604159 0.34930910696987 0.08074406749551 35.453 > 17 66 Cl 0.62519411604159 0.34930910696987 0.08074406749551 35.453 > 17 67 Cl 0.12519411604159 0.84930910696987 0.08074406749551 35.453 > 17 68 Cl 0.62519411604159 0.84930910696987 0.08074406749551 35.453 > 17 69 Cl 0.37480588395841 0.09930910696987 0.41925593250449 35.453 > 18 70 Cl 0.87480588395841 0.09930910696987 0.41925593250449 35.453 > 18 71 Cl 0.37480588395841 0.59930910696987 0.41925593250449 35.453 > 18 72 Cl 0.87480588395841 0.59930910696987 0.41925593250449 35.453 > 18 73 Cl 0.37480588395841 0.15069089303013 0.91925593250449 35.453 > 19 74 Cl 0.87480588395841 0.15069089303013 0.91925593250449 35.453 > 19 75 Cl 0.37480588395841 0.65069089303013 0.91925593250449 35.453 > 19 76 Cl 0.87480588395841 0.65069089303013 0.91925593250449 35.453 > 19 77 Cl 0.12519411604159 0.40069089303013 0.58074406749551 35.453 > 20 78 Cl 0.62519411604159 0.40069089303013 0.58074406749551 35.453 > 20 79 Cl 0.12519411604159 0.90069089303013 0.58074406749551 35.453 > 20 80 Cl 0.62519411604159 0.90069089303013 0.58074406749551 35.453 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8280542 0.0000000 0.0170173 0.0000000 2.8216866 0.0000000 0.0170179 0.0000000 2.8459746 -------------------------- Born effective charges -------------------------- 1 Na 1.1668014 -0.0850569 -0.1081613 0.0778599 1.2378645 -0.0237774 0.0996373 -0.0717488 1.1866402 2 Na 1.1668014 0.0850569 -0.1081613 -0.0778599 1.2378645 0.0237774 0.0996373 0.0717488 1.1866402 3 Na 1.1762764 -0.0076486 0.0535663 -0.0497686 1.2041135 -0.0219228 -0.0158814 -0.0968630 1.1630732 4 Na 1.1762764 0.0076486 0.0535663 0.0497686 1.2041135 0.0219228 -0.0158814 0.0968630 1.1630732 5 Na 1.1762764 -0.0076486 0.0535663 -0.0497686 1.2041135 -0.0219228 -0.0158814 -0.0968630 1.1630732 6 Na 1.1762764 0.0076486 0.0535663 0.0497686 1.2041135 0.0219228 -0.0158814 0.0968630 1.1630732 7 Er 3.4692581 -0.0998582 0.1201757 0.0021523 3.4074793 0.0688068 0.0493509 -0.0490059 3.4151098 8 Er 3.4692581 0.0998582 0.1201757 -0.0021523 3.4074793 -0.0688068 0.0493509 0.0490059 3.4151098 9 Cl -0.9766668 -0.0266064 0.2665112 -0.0568622 -0.8217457 -0.1876046 0.2718829 -0.1599158 -1.6611188 10 Cl -0.9766668 0.0266064 0.2665112 0.0568622 -0.8217457 0.1876046 0.2718829 0.1599158 -1.6611188 11 Cl -0.9766668 -0.0266064 0.2665112 -0.0568622 -0.8217457 -0.1876046 0.2718829 -0.1599158 -1.6611188 12 Cl -0.9766668 0.0266064 0.2665112 0.0568622 -0.8217457 0.1876046 0.2718829 0.1599158 -1.6611188 13 Cl -1.4570657 -0.4016374 -0.1558637 -0.4215251 -1.1343854 -0.1207774 -0.1557615 -0.0769370 -0.8855455 14 Cl -1.4570657 0.4016374 -0.1558637 0.4215251 -1.1343854 0.1207774 -0.1557615 0.0769370 -0.8855455 15 Cl -1.4570657 -0.4016374 -0.1558637 -0.4215251 -1.1343854 -0.1207774 -0.1557615 -0.0769370 -0.8855455 16 Cl -1.4570657 0.4016374 -0.1558637 0.4215251 -1.1343854 0.1207774 -0.1557615 0.0769370 -0.8855455 17 Cl -1.0605736 0.3907139 -0.1702210 0.3904347 -1.5706543 0.3047500 -0.1747341 0.3102925 -0.9172839 18 Cl -1.0605736 -0.3907139 -0.1702210 -0.3904347 -1.5706543 -0.3047500 -0.1747341 -0.3102925 -0.9172839 19 Cl -1.0605736 0.3907139 -0.1702210 0.3904347 -1.5706543 0.3047500 -0.1747341 0.3102925 -0.9172839 20 Cl -1.0605736 -0.3907139 -0.1702210 -0.3904347 -1.5706543 -0.3047500 -0.1747341 -0.3102925 -0.9172839 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 393), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.198 Solver_block: 200 / 640 - Time: 2.180 Solver_block: 300 / 640 - Time: 2.220 Solver_block: 400 / 640 - Time: 2.999 Solver_block: 500 / 640 - Time: 3.749 Solver_block: 600 / 640 - Time: 2.550 Solver_block: 640 / 640 - Time: 1.070 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.198 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 393), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:18:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:39]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.742662180314496 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224684330000000 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.29096797694509 0.08296257057423 0.75976373149408 22.990 4 Na 0.70903202305491 0.58296257057422 0.74023626850592 22.990 5 Na 0.70903202305491 0.91703742942578 0.24023626850592 22.990 6 Na 0.29096797694509 0.41703742942577 0.25976373149408 22.990 7 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 8 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 9 Cl 0.90416489965858 0.93647073048222 0.76145356168716 35.453 10 Cl 0.09583510034143 0.43647073048222 0.73854643831284 35.453 11 Cl 0.09583510034143 0.06352926951778 0.23854643831284 35.453 12 Cl 0.90416489965858 0.56352926951778 0.26145356168716 35.453 13 Cl 0.62167881254958 0.81954896232740 0.93488109969288 35.453 14 Cl 0.37832118745042 0.31954896232740 0.56511890030712 35.453 15 Cl 0.37832118745042 0.18045103767260 0.06511890030712 35.453 16 Cl 0.62167881254958 0.68045103767260 0.43488109969288 35.453 17 Cl 0.25038823208319 0.69861821393973 0.08074406749551 35.453 18 Cl 0.74961176791681 0.19861821393973 0.41925593250449 35.453 19 Cl 0.74961176791681 0.30138178606027 0.91925593250449 35.453 20 Cl 0.25038823208319 0.80138178606027 0.58074406749551 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.485324360628992 0.000000000000000 0.000000000000000 b 0.000000000000000 14.449368659999999 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 5 7 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 5 8 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 5 9 Na 0.14548398847255 0.04148128528711 0.75976373149408 22.990 > 9 10 Na 0.64548398847255 0.04148128528711 0.75976373149408 22.990 > 9 11 Na 0.14548398847255 0.54148128528711 0.75976373149408 22.990 > 9 12 Na 0.64548398847255 0.54148128528711 0.75976373149408 22.990 > 9 13 Na 0.35451601152745 0.29148128528711 0.74023626850592 22.990 > 13 14 Na 0.85451601152745 0.29148128528711 0.74023626850592 22.990 > 13 15 Na 0.35451601152745 0.79148128528711 0.74023626850592 22.990 > 13 16 Na 0.85451601152745 0.79148128528711 0.74023626850592 22.990 > 13 17 Na 0.35451601152745 0.45851871471289 0.24023626850592 22.990 > 17 18 Na 0.85451601152745 0.45851871471289 0.24023626850592 22.990 > 17 19 Na 0.35451601152745 0.95851871471289 0.24023626850592 22.990 > 17 20 Na 0.85451601152745 0.95851871471289 0.24023626850592 22.990 > 17 21 Na 0.14548398847255 0.20851871471289 0.25976373149408 22.990 > 21 22 Na 0.64548398847255 0.20851871471289 0.25976373149408 22.990 > 21 23 Na 0.14548398847255 0.70851871471289 0.25976373149408 22.990 > 21 24 Na 0.64548398847255 0.70851871471289 0.25976373149408 22.990 > 21 25 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 25 26 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 25 27 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 25 28 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 25 29 Er 0.00000000000000 0.25000000000000 0.50000000000000 167.259 > 29 30 Er 0.50000000000000 0.25000000000000 0.50000000000000 167.259 > 29 31 Er 0.00000000000000 0.75000000000000 0.50000000000000 167.259 > 29 32 Er 0.50000000000000 0.75000000000000 0.50000000000000 167.259 > 29 33 Cl 0.45208244982929 0.46823536524111 0.76145356168716 35.453 > 33 34 Cl 0.95208244982929 0.46823536524111 0.76145356168716 35.453 > 33 35 Cl 0.45208244982929 0.96823536524111 0.76145356168716 35.453 > 33 36 Cl 0.95208244982929 0.96823536524111 0.76145356168716 35.453 > 33 37 Cl 0.04791755017071 0.21823536524111 0.73854643831284 35.453 > 37 38 Cl 0.54791755017071 0.21823536524111 0.73854643831284 35.453 > 37 39 Cl 0.04791755017071 0.71823536524111 0.73854643831284 35.453 > 37 40 Cl 0.54791755017071 0.71823536524111 0.73854643831284 35.453 > 37 41 Cl 0.04791755017071 0.03176463475889 0.23854643831284 35.453 > 41 42 Cl 0.54791755017071 0.03176463475889 0.23854643831284 35.453 > 41 43 Cl 0.04791755017071 0.53176463475889 0.23854643831284 35.453 > 41 44 Cl 0.54791755017071 0.53176463475889 0.23854643831284 35.453 > 41 45 Cl 0.45208244982929 0.28176463475889 0.26145356168716 35.453 > 45 46 Cl 0.95208244982929 0.28176463475889 0.26145356168716 35.453 > 45 47 Cl 0.45208244982929 0.78176463475889 0.26145356168716 35.453 > 45 48 Cl 0.95208244982929 0.78176463475889 0.26145356168716 35.453 > 45 49 Cl 0.31083940627479 0.40977448116370 0.93488109969288 35.453 > 49 50 Cl 0.81083940627479 0.40977448116370 0.93488109969288 35.453 > 49 51 Cl 0.31083940627479 0.90977448116370 0.93488109969288 35.453 > 49 52 Cl 0.81083940627479 0.90977448116370 0.93488109969288 35.453 > 49 53 Cl 0.18916059372521 0.15977448116370 0.56511890030712 35.453 > 53 54 Cl 0.68916059372521 0.15977448116370 0.56511890030712 35.453 > 53 55 Cl 0.18916059372521 0.65977448116370 0.56511890030712 35.453 > 53 56 Cl 0.68916059372521 0.65977448116370 0.56511890030712 35.453 > 53 57 Cl 0.18916059372521 0.09022551883630 0.06511890030712 35.453 > 57 58 Cl 0.68916059372521 0.09022551883630 0.06511890030712 35.453 > 57 59 Cl 0.18916059372521 0.59022551883630 0.06511890030712 35.453 > 57 60 Cl 0.68916059372521 0.59022551883630 0.06511890030712 35.453 > 57 61 Cl 0.31083940627479 0.34022551883630 0.43488109969288 35.453 > 61 62 Cl 0.81083940627479 0.34022551883630 0.43488109969288 35.453 > 61 63 Cl 0.31083940627479 0.84022551883630 0.43488109969288 35.453 > 61 64 Cl 0.81083940627479 0.84022551883630 0.43488109969288 35.453 > 61 65 Cl 0.12519411604159 0.34930910696987 0.08074406749551 35.453 > 65 66 Cl 0.62519411604159 0.34930910696987 0.08074406749551 35.453 > 65 67 Cl 0.12519411604159 0.84930910696987 0.08074406749551 35.453 > 65 68 Cl 0.62519411604159 0.84930910696987 0.08074406749551 35.453 > 65 69 Cl 0.37480588395841 0.09930910696987 0.41925593250449 35.453 > 69 70 Cl 0.87480588395841 0.09930910696987 0.41925593250449 35.453 > 69 71 Cl 0.37480588395841 0.59930910696987 0.41925593250449 35.453 > 69 72 Cl 0.87480588395841 0.59930910696987 0.41925593250449 35.453 > 69 73 Cl 0.37480588395841 0.15069089303013 0.91925593250449 35.453 > 73 74 Cl 0.87480588395841 0.15069089303013 0.91925593250449 35.453 > 73 75 Cl 0.37480588395841 0.65069089303013 0.91925593250449 35.453 > 73 76 Cl 0.87480588395841 0.65069089303013 0.91925593250449 35.453 > 73 77 Cl 0.12519411604159 0.40069089303013 0.58074406749551 35.453 > 77 78 Cl 0.62519411604159 0.40069089303013 0.58074406749551 35.453 > 77 79 Cl 0.12519411604159 0.90069089303013 0.58074406749551 35.453 > 77 80 Cl 0.62519411604159 0.90069089303013 0.58074406749551 35.453 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8280542 0.0000000 0.0170173 0.0000000 2.8216866 0.0000000 0.0170179 0.0000000 2.8459746 -------------------------- Born effective charges -------------------------- 1 Na 1.1668014 -0.0850569 -0.1081613 0.0778599 1.2378645 -0.0237774 0.0996373 -0.0717488 1.1866402 2 Na 1.1668014 0.0850569 -0.1081613 -0.0778599 1.2378645 0.0237774 0.0996373 0.0717488 1.1866402 3 Na 1.1762764 -0.0076486 0.0535663 -0.0497686 1.2041135 -0.0219228 -0.0158814 -0.0968630 1.1630732 4 Na 1.1762764 0.0076486 0.0535663 0.0497686 1.2041135 0.0219228 -0.0158814 0.0968630 1.1630732 5 Na 1.1762764 -0.0076486 0.0535663 -0.0497686 1.2041135 -0.0219228 -0.0158814 -0.0968630 1.1630732 6 Na 1.1762764 0.0076486 0.0535663 0.0497686 1.2041135 0.0219228 -0.0158814 0.0968630 1.1630732 7 Er 3.4692581 -0.0998582 0.1201757 0.0021523 3.4074793 0.0688068 0.0493509 -0.0490059 3.4151098 8 Er 3.4692581 0.0998582 0.1201757 -0.0021523 3.4074793 -0.0688068 0.0493509 0.0490059 3.4151098 9 Cl -0.9766668 -0.0266064 0.2665112 -0.0568622 -0.8217457 -0.1876046 0.2718829 -0.1599158 -1.6611188 10 Cl -0.9766668 0.0266064 0.2665112 0.0568622 -0.8217457 0.1876046 0.2718829 0.1599158 -1.6611188 11 Cl -0.9766668 -0.0266064 0.2665112 -0.0568622 -0.8217457 -0.1876046 0.2718829 -0.1599158 -1.6611188 12 Cl -0.9766668 0.0266064 0.2665112 0.0568622 -0.8217457 0.1876046 0.2718829 0.1599158 -1.6611188 13 Cl -1.4570657 -0.4016374 -0.1558637 -0.4215251 -1.1343854 -0.1207774 -0.1557615 -0.0769370 -0.8855455 14 Cl -1.4570657 0.4016374 -0.1558637 0.4215251 -1.1343854 0.1207774 -0.1557615 0.0769370 -0.8855455 15 Cl -1.4570657 -0.4016374 -0.1558637 -0.4215251 -1.1343854 -0.1207774 -0.1557615 -0.0769370 -0.8855455 16 Cl -1.4570657 0.4016374 -0.1558637 0.4215251 -1.1343854 0.1207774 -0.1557615 0.0769370 -0.8855455 17 Cl -1.0605736 0.3907139 -0.1702210 0.3904347 -1.5706543 0.3047500 -0.1747341 0.3102925 -0.9172839 18 Cl -1.0605736 -0.3907139 -0.1702210 -0.3904347 -1.5706543 -0.3047500 -0.1747341 -0.3102925 -0.9172839 19 Cl -1.0605736 0.3907139 -0.1702210 0.3904347 -1.5706543 0.3047500 -0.1747341 0.3102925 -0.9172839 20 Cl -1.0605736 -0.3907139 -0.1702210 -0.3904347 -1.5706543 -0.3047500 -0.1747341 -0.3102925 -0.9172839 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 9, 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 65, 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) 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 07:18:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:57]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.742662180314496 0.000000000000000 0.000000000000000 b 0.000000000000000 7.224684330000000 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 3 Na 0.29096797694509 0.08296257057423 0.75976373149408 22.990 4 Na 0.70903202305491 0.58296257057422 0.74023626850592 22.990 5 Na 0.70903202305491 0.91703742942578 0.24023626850592 22.990 6 Na 0.29096797694509 0.41703742942577 0.25976373149408 22.990 7 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 8 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 9 Cl 0.90416489965858 0.93647073048222 0.76145356168716 35.453 10 Cl 0.09583510034143 0.43647073048222 0.73854643831284 35.453 11 Cl 0.09583510034143 0.06352926951778 0.23854643831284 35.453 12 Cl 0.90416489965858 0.56352926951778 0.26145356168716 35.453 13 Cl 0.62167881254958 0.81954896232740 0.93488109969288 35.453 14 Cl 0.37832118745042 0.31954896232740 0.56511890030712 35.453 15 Cl 0.37832118745042 0.18045103767260 0.06511890030712 35.453 16 Cl 0.62167881254958 0.68045103767260 0.43488109969288 35.453 17 Cl 0.25038823208319 0.69861821393973 0.08074406749551 35.453 18 Cl 0.74961176791681 0.19861821393973 0.41925593250449 35.453 19 Cl 0.74961176791681 0.30138178606027 0.91925593250449 35.453 20 Cl 0.25038823208319 0.80138178606027 0.58074406749551 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.485324360628992 0.000000000000000 0.000000000000000 b 0.000000000000000 14.449368659999999 0.000000000000000 c -6.565047506615057 0.000000000000000 10.022826452835684 Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 5 6 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 5 7 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 5 8 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 5 9 Na 0.14548398847255 0.04148128528711 0.75976373149408 22.990 > 9 10 Na 0.64548398847255 0.04148128528711 0.75976373149408 22.990 > 9 11 Na 0.14548398847255 0.54148128528711 0.75976373149408 22.990 > 9 12 Na 0.64548398847255 0.54148128528711 0.75976373149408 22.990 > 9 13 Na 0.35451601152745 0.29148128528711 0.74023626850592 22.990 > 13 14 Na 0.85451601152745 0.29148128528711 0.74023626850592 22.990 > 13 15 Na 0.35451601152745 0.79148128528711 0.74023626850592 22.990 > 13 16 Na 0.85451601152745 0.79148128528711 0.74023626850592 22.990 > 13 17 Na 0.35451601152745 0.45851871471289 0.24023626850592 22.990 > 17 18 Na 0.85451601152745 0.45851871471289 0.24023626850592 22.990 > 17 19 Na 0.35451601152745 0.95851871471289 0.24023626850592 22.990 > 17 20 Na 0.85451601152745 0.95851871471289 0.24023626850592 22.990 > 17 21 Na 0.14548398847255 0.20851871471289 0.25976373149408 22.990 > 21 22 Na 0.64548398847255 0.20851871471289 0.25976373149408 22.990 > 21 23 Na 0.14548398847255 0.70851871471289 0.25976373149408 22.990 > 21 24 Na 0.64548398847255 0.70851871471289 0.25976373149408 22.990 > 21 25 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 25 26 Er 0.50000000000000 0.00000000000000 0.00000000000000 167.259 > 25 27 Er 0.00000000000000 0.50000000000000 0.00000000000000 167.259 > 25 28 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 25 29 Er 0.00000000000000 0.25000000000000 0.50000000000000 167.259 > 29 30 Er 0.50000000000000 0.25000000000000 0.50000000000000 167.259 > 29 31 Er 0.00000000000000 0.75000000000000 0.50000000000000 167.259 > 29 32 Er 0.50000000000000 0.75000000000000 0.50000000000000 167.259 > 29 33 Cl 0.45208244982929 0.46823536524111 0.76145356168716 35.453 > 33 34 Cl 0.95208244982929 0.46823536524111 0.76145356168716 35.453 > 33 35 Cl 0.45208244982929 0.96823536524111 0.76145356168716 35.453 > 33 36 Cl 0.95208244982929 0.96823536524111 0.76145356168716 35.453 > 33 37 Cl 0.04791755017071 0.21823536524111 0.73854643831284 35.453 > 37 38 Cl 0.54791755017071 0.21823536524111 0.73854643831284 35.453 > 37 39 Cl 0.04791755017071 0.71823536524111 0.73854643831284 35.453 > 37 40 Cl 0.54791755017071 0.71823536524111 0.73854643831284 35.453 > 37 41 Cl 0.04791755017071 0.03176463475889 0.23854643831284 35.453 > 41 42 Cl 0.54791755017071 0.03176463475889 0.23854643831284 35.453 > 41 43 Cl 0.04791755017071 0.53176463475889 0.23854643831284 35.453 > 41 44 Cl 0.54791755017071 0.53176463475889 0.23854643831284 35.453 > 41 45 Cl 0.45208244982929 0.28176463475889 0.26145356168716 35.453 > 45 46 Cl 0.95208244982929 0.28176463475889 0.26145356168716 35.453 > 45 47 Cl 0.45208244982929 0.78176463475889 0.26145356168716 35.453 > 45 48 Cl 0.95208244982929 0.78176463475889 0.26145356168716 35.453 > 45 49 Cl 0.31083940627479 0.40977448116370 0.93488109969288 35.453 > 49 50 Cl 0.81083940627479 0.40977448116370 0.93488109969288 35.453 > 49 51 Cl 0.31083940627479 0.90977448116370 0.93488109969288 35.453 > 49 52 Cl 0.81083940627479 0.90977448116370 0.93488109969288 35.453 > 49 53 Cl 0.18916059372521 0.15977448116370 0.56511890030712 35.453 > 53 54 Cl 0.68916059372521 0.15977448116370 0.56511890030712 35.453 > 53 55 Cl 0.18916059372521 0.65977448116370 0.56511890030712 35.453 > 53 56 Cl 0.68916059372521 0.65977448116370 0.56511890030712 35.453 > 53 57 Cl 0.18916059372521 0.09022551883630 0.06511890030712 35.453 > 57 58 Cl 0.68916059372521 0.09022551883630 0.06511890030712 35.453 > 57 59 Cl 0.18916059372521 0.59022551883630 0.06511890030712 35.453 > 57 60 Cl 0.68916059372521 0.59022551883630 0.06511890030712 35.453 > 57 61 Cl 0.31083940627479 0.34022551883630 0.43488109969288 35.453 > 61 62 Cl 0.81083940627479 0.34022551883630 0.43488109969288 35.453 > 61 63 Cl 0.31083940627479 0.84022551883630 0.43488109969288 35.453 > 61 64 Cl 0.81083940627479 0.84022551883630 0.43488109969288 35.453 > 61 65 Cl 0.12519411604159 0.34930910696987 0.08074406749551 35.453 > 65 66 Cl 0.62519411604159 0.34930910696987 0.08074406749551 35.453 > 65 67 Cl 0.12519411604159 0.84930910696987 0.08074406749551 35.453 > 65 68 Cl 0.62519411604159 0.84930910696987 0.08074406749551 35.453 > 65 69 Cl 0.37480588395841 0.09930910696987 0.41925593250449 35.453 > 69 70 Cl 0.87480588395841 0.09930910696987 0.41925593250449 35.453 > 69 71 Cl 0.37480588395841 0.59930910696987 0.41925593250449 35.453 > 69 72 Cl 0.87480588395841 0.59930910696987 0.41925593250449 35.453 > 69 73 Cl 0.37480588395841 0.15069089303013 0.91925593250449 35.453 > 73 74 Cl 0.87480588395841 0.15069089303013 0.91925593250449 35.453 > 73 75 Cl 0.37480588395841 0.65069089303013 0.91925593250449 35.453 > 73 76 Cl 0.87480588395841 0.65069089303013 0.91925593250449 35.453 > 73 77 Cl 0.12519411604159 0.40069089303013 0.58074406749551 35.453 > 77 78 Cl 0.62519411604159 0.40069089303013 0.58074406749551 35.453 > 77 79 Cl 0.12519411604159 0.90069089303013 0.58074406749551 35.453 > 77 80 Cl 0.62519411604159 0.90069089303013 0.58074406749551 35.453 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8280542 0.0000000 0.0170173 0.0000000 2.8216866 0.0000000 0.0170179 0.0000000 2.8459746 -------------------------- Born effective charges -------------------------- 1 Na 1.1668014 -0.0850569 -0.1081613 0.0778599 1.2378645 -0.0237774 0.0996373 -0.0717488 1.1866402 2 Na 1.1668014 0.0850569 -0.1081613 -0.0778599 1.2378645 0.0237774 0.0996373 0.0717488 1.1866402 3 Na 1.1762764 -0.0076486 0.0535663 -0.0497686 1.2041135 -0.0219228 -0.0158814 -0.0968630 1.1630732 4 Na 1.1762764 0.0076486 0.0535663 0.0497686 1.2041135 0.0219228 -0.0158814 0.0968630 1.1630732 5 Na 1.1762764 -0.0076486 0.0535663 -0.0497686 1.2041135 -0.0219228 -0.0158814 -0.0968630 1.1630732 6 Na 1.1762764 0.0076486 0.0535663 0.0497686 1.2041135 0.0219228 -0.0158814 0.0968630 1.1630732 7 Er 3.4692581 -0.0998582 0.1201757 0.0021523 3.4074793 0.0688068 0.0493509 -0.0490059 3.4151098 8 Er 3.4692581 0.0998582 0.1201757 -0.0021523 3.4074793 -0.0688068 0.0493509 0.0490059 3.4151098 9 Cl -0.9766668 -0.0266064 0.2665112 -0.0568622 -0.8217457 -0.1876046 0.2718829 -0.1599158 -1.6611188 10 Cl -0.9766668 0.0266064 0.2665112 0.0568622 -0.8217457 0.1876046 0.2718829 0.1599158 -1.6611188 11 Cl -0.9766668 -0.0266064 0.2665112 -0.0568622 -0.8217457 -0.1876046 0.2718829 -0.1599158 -1.6611188 12 Cl -0.9766668 0.0266064 0.2665112 0.0568622 -0.8217457 0.1876046 0.2718829 0.1599158 -1.6611188 13 Cl -1.4570657 -0.4016374 -0.1558637 -0.4215251 -1.1343854 -0.1207774 -0.1557615 -0.0769370 -0.8855455 14 Cl -1.4570657 0.4016374 -0.1558637 0.4215251 -1.1343854 0.1207774 -0.1557615 0.0769370 -0.8855455 15 Cl -1.4570657 -0.4016374 -0.1558637 -0.4215251 -1.1343854 -0.1207774 -0.1557615 -0.0769370 -0.8855455 16 Cl -1.4570657 0.4016374 -0.1558637 0.4215251 -1.1343854 0.1207774 -0.1557615 0.0769370 -0.8855455 17 Cl -1.0605736 0.3907139 -0.1702210 0.3904347 -1.5706543 0.3047500 -0.1747341 0.3102925 -0.9172839 18 Cl -1.0605736 -0.3907139 -0.1702210 -0.3904347 -1.5706543 -0.3047500 -0.1747341 -0.3102925 -0.9172839 19 Cl -1.0605736 0.3907139 -0.1702210 0.3904347 -1.5706543 0.3047500 -0.1747341 0.3102925 -0.9172839 20 Cl -1.0605736 -0.3907139 -0.1702210 -0.3904347 -1.5706543 -0.3047500 -0.1747341 -0.3102925 -0.9172839 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 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: 0.53, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 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 0.327 ( 0.000 0.000 0.000) 0.000 0.837 ( 0.000 0.000 0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 16.145 0.000 7.574) 17.833 0.367 ( 17.009 0.000 6.395) 18.171 0.508 ( -25.917 0.000 34.812) 43.400 0.637 ( 21.007 0.000 22.861) 31.047 0.914 ( 7.977 0.000 0.413) 7.987 1.258 ( 1.386 0.000 4.805) 5.001 1.367 ( -5.405 0.000 -4.780) 7.216 1.660 ( -1.184 0.000 -1.586) 1.979 1.751 ( -6.132 0.000 0.745) 6.177 1.838 ( 2.082 0.000 4.181) 4.671 1.855 ( 5.050 0.000 -6.837) 8.499 1.902 ( -5.077 0.000 0.658) 5.120 2.224 ( -9.454 0.000 2.587) 9.802 2.334 ( 0.372 0.000 3.316) 3.337 2.483 ( -5.286 0.000 0.267) 5.293 2.486 ( 1.211 0.000 -4.647) 4.803 2.501 ( -3.328 0.000 1.793) 3.780 2.589 ( -0.322 0.000 -5.827) 5.835 2.701 ( 6.398 0.000 -0.398) 6.410 2.714 ( -8.226 0.000 -5.341) 9.807 2.909 ( 2.544 0.000 -6.053) 6.566 2.938 ( 1.617 0.000 5.882) 6.100 3.010 ( 6.231 0.000 1.015) 6.313 3.014 ( 0.586 0.000 1.444) 1.558 3.200 ( 5.018 0.000 3.610) 6.182 3.268 ( -2.000 0.000 0.985) 2.230 3.407 ( 0.185 0.000 -6.868) 6.870 3.446 ( 4.621 0.000 2.878) 5.444 3.555 ( 3.398 0.000 2.378) 4.147 3.863 ( 4.595 0.000 -1.240) 4.760 3.955 ( -3.078 0.000 4.206) 5.212 3.971 ( -3.512 0.000 4.546) 5.744 4.139 ( -0.178 0.000 -5.457) 5.460 4.155 ( -0.513 0.000 7.760) 7.777 4.215 ( -1.772 0.000 3.722) 4.122 4.255 ( 1.527 0.000 -1.109) 1.887 4.422 ( -7.181 0.000 -0.633) 7.209 4.430 ( -2.459 0.000 0.680) 2.552 4.540 ( -6.336 0.000 -0.795) 6.385 4.738 ( 4.168 0.000 -1.241) 4.349 5.006 ( 1.883 0.000 0.532) 1.957 5.155 ( 0.147 0.000 -0.446) 0.470 5.270 ( 1.940 0.000 -3.181) 3.726 5.399 ( 2.879 0.000 -6.220) 6.853 5.503 ( -2.366 0.000 0.653) 2.455 5.744 ( -5.445 0.000 3.749) 6.611 6.031 ( -1.809 0.000 -1.723) 2.498 6.048 ( -3.344 0.000 0.033) 3.344 6.522 ( 1.438 0.000 0.364) 1.484 6.744 ( -7.115 0.000 10.167) 12.409 6.804 ( 1.674 0.000 1.145) 2.028 6.835 ( 1.365 0.000 -1.747) 2.217 6.885 ( -2.260 0.000 1.416) 2.667 7.066 ( 0.086 0.000 -5.705) 5.706 7.137 ( -0.088 0.000 -4.373) 4.374 7.305 ( -2.244 0.000 11.976) 12.185 7.591 ( 3.468 0.000 -3.236) 4.743 8.202 ( -0.361 0.000 0.262) 0.446 8.220 ( 2.911 0.000 0.602) 2.973 8.599 ( 6.024 0.000 -12.176) 13.584 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -13.764 0.000 11.960) 18.234 0.687 ( 15.011 0.000 3.665) 15.452 0.699 ( 13.994 0.000 6.534) 15.445 1.040 ( 6.148 0.000 -2.494) 6.635 1.118 ( 7.241 0.000 16.478) 17.999 1.281 ( -2.494 0.000 2.327) 3.412 1.358 ( 5.786 0.000 4.526) 7.346 1.561 ( -7.251 0.000 -6.111) 9.483 1.665 ( 4.419 0.000 -2.328) 4.995 1.822 ( -5.215 0.000 4.522) 6.902 1.835 ( 2.561 0.000 -7.045) 7.497 1.905 ( -2.496 0.000 -3.829) 4.571 2.138 ( -8.270 0.000 9.895) 12.895 2.339 ( -5.541 0.000 1.713) 5.799 2.417 ( -4.557 0.000 -3.632) 5.827 2.445 ( 3.261 0.000 0.117) 3.263 2.454 ( -4.613 0.000 5.589) 7.246 2.508 ( -5.175 0.000 -2.264) 5.649 2.621 ( 3.098 0.000 -0.308) 3.114 2.744 ( 2.458 0.000 -1.909) 3.112 2.954 ( 3.680 0.000 -5.360) 6.502 2.989 ( 7.198 0.000 0.683) 7.231 3.047 ( -3.191 0.000 4.427) 5.457 3.133 ( 8.380 0.000 -1.325) 8.484 3.267 ( 0.050 0.000 0.228) 0.233 3.304 ( 4.935 0.000 0.467) 4.957 3.381 ( 4.229 0.000 -2.501) 4.913 3.496 ( 1.539 0.000 -3.021) 3.391 3.687 ( 2.844 0.000 6.936) 7.497 3.881 ( -2.938 0.000 -5.681) 6.396 3.911 ( 2.315 0.000 -1.629) 2.831 3.939 ( -3.478 0.000 1.910) 3.968 4.061 ( -1.670 0.000 -4.780) 5.063 4.145 ( -6.517 0.000 -1.555) 6.700 4.282 ( 1.748 0.000 -0.643) 1.862 4.287 ( -0.170 0.000 7.924) 7.926 4.364 ( 0.901 0.000 3.362) 3.480 4.388 ( -2.929 0.000 0.918) 3.069 4.436 ( -5.094 0.000 1.659) 5.358 4.769 ( 1.765 0.000 -1.588) 2.374 5.061 ( 3.580 0.000 0.951) 3.705 5.143 ( -0.222 0.000 -1.138) 1.159 5.258 ( 1.560 0.000 -4.976) 5.215 5.372 ( -1.442 0.000 -0.987) 1.748 5.463 ( -3.072 0.000 0.715) 3.154 5.670 ( -5.150 0.000 -1.077) 5.262 5.970 ( -3.853 0.000 -0.276) 3.863 5.983 ( -4.326 0.000 0.329) 4.338 6.561 ( 2.351 0.000 1.123) 2.606 6.743 ( -2.416 0.000 4.111) 4.768 6.806 ( -0.493 0.000 -3.193) 3.231 6.839 ( 2.693 0.000 -2.131) 3.435 6.898 ( -0.060 0.000 2.594) 2.595 7.020 ( 0.604 0.000 -4.227) 4.270 7.080 ( -2.340 0.000 -1.566) 2.816 7.294 ( -9.634 0.000 6.058) 11.380 7.704 ( 9.277 0.000 2.712) 9.665 8.193 ( -1.071 0.000 0.069) 1.073 8.289 ( 4.279 0.000 0.665) 4.330 8.558 ( 1.401 0.000 -6.361) 6.514 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -7.407 0.000 5.485) 9.216 0.940 ( 12.390 0.000 1.418) 12.471 0.958 ( 12.219 0.000 0.386) 12.225 1.047 ( -1.293 0.000 -0.660) 1.452 1.201 ( -4.913 0.000 4.431) 6.616 1.301 ( 0.243 0.000 1.513) 1.532 1.468 ( 0.098 0.000 -0.190) 0.213 1.501 ( 2.307 0.000 -1.650) 2.837 1.662 ( -9.315 0.000 -6.198) 11.188 1.695 ( 0.162 0.000 3.398) 3.402 1.860 ( 5.481 0.000 -2.800) 6.155 1.920 ( -0.176 0.000 5.988) 5.990 2.115 ( 0.683 0.000 1.777) 1.904 2.245 ( -5.728 0.000 6.501) 8.665 2.268 ( -6.080 0.000 -6.633) 8.998 2.444 ( -3.775 0.000 4.882) 6.171 2.529 ( 4.299 0.000 0.917) 4.396 2.572 ( 1.613 0.000 8.333) 8.488 2.655 ( 2.185 0.000 -2.071) 3.010 2.773 ( 3.238 0.000 0.451) 3.269 2.960 ( -1.821 0.000 1.192) 2.176 3.052 ( 6.033 0.000 -4.272) 7.392 3.090 ( 2.248 0.000 2.959) 3.716 3.249 ( 8.807 0.000 -5.504) 10.385 3.272 ( 3.056 0.000 -1.571) 3.437 3.333 ( -2.497 0.000 -0.902) 2.655 3.459 ( 2.947 0.000 2.593) 3.925 3.464 ( 1.858 0.000 -4.023) 4.432 3.700 ( -1.742 0.000 -4.724) 5.035 3.761 ( -5.143 0.000 -4.261) 6.679 3.895 ( -1.793 0.000 -1.303) 2.216 3.929 ( -2.812 0.000 1.318) 3.105 4.015 ( -4.542 0.000 -3.671) 5.840 4.036 ( 0.600 0.000 5.362) 5.396 4.283 ( 1.260 0.000 -1.478) 1.942 4.309 ( -1.778 0.000 2.971) 3.463 4.362 ( -2.258 0.000 1.286) 2.599 4.437 ( 0.152 0.000 4.418) 4.421 4.466 ( 2.883 0.000 4.303) 5.180 4.779 ( 1.690 0.000 -1.483) 2.248 5.133 ( 0.402 0.000 -0.884) 0.971 5.134 ( 3.660 0.000 1.146) 3.835 5.212 ( -0.067 0.000 -5.275) 5.276 5.333 ( -2.935 0.000 0.623) 3.001 5.421 ( -2.539 0.000 0.181) 2.546 5.562 ( -5.033 0.000 -2.536) 5.636 5.908 ( -3.181 0.000 -0.116) 3.183 5.925 ( -3.098 0.000 0.673) 3.170 6.620 ( 2.307 0.000 2.494) 3.397 6.748 ( -0.139 0.000 0.496) 0.515 6.772 ( 0.266 0.000 -2.303) 2.318 6.833 ( 0.201 0.000 -3.440) 3.446 6.894 ( -2.487 0.000 -0.560) 2.549 7.005 ( 1.877 0.000 -1.613) 2.475 7.046 ( -0.867 0.000 0.545) 1.024 7.188 ( -7.684 0.000 2.758) 8.164 7.886 ( 6.599 0.000 4.827) 8.176 8.168 ( -1.566 0.000 -0.375) 1.610 8.364 ( 3.865 0.000 0.378) 3.884 8.516 ( 0.163 0.000 -3.459) 3.463 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( -1.511 0.000 1.820) 2.365 1.018 ( -1.047 0.000 0.764) 1.296 1.068 ( 3.892 0.000 -5.100) 6.415 1.147 ( 10.191 0.000 1.575) 10.312 1.202 ( -0.158 0.000 6.329) 6.331 1.290 ( -2.755 0.000 -1.641) 3.206 1.414 ( -4.146 0.000 -3.967) 5.739 1.431 ( -7.034 0.000 0.081) 7.035 1.548 ( 2.549 0.000 -1.027) 2.748 1.737 ( 0.285 0.000 0.933) 0.975 1.913 ( 2.623 0.000 0.194) 2.630 1.951 ( 0.052 0.000 4.377) 4.377 2.070 ( -5.592 0.000 -6.771) 8.781 2.281 ( 9.397 0.000 3.998) 10.212 2.281 ( -1.444 0.000 6.033) 6.204 2.451 ( -1.393 0.000 4.052) 4.285 2.547 ( -6.775 0.000 -2.015) 7.068 2.566 ( 2.275 0.000 -4.312) 4.876 2.665 ( 1.049 0.000 -0.599) 1.208 2.901 ( 4.294 0.000 6.983) 8.197 2.934 ( -0.935 0.000 -0.290) 0.979 3.118 ( 3.267 0.000 -0.919) 3.394 3.131 ( -1.729 0.000 3.657) 4.046 3.183 ( -1.850 0.000 -8.187) 8.393 3.356 ( 3.723 0.000 -0.171) 3.727 3.376 ( 8.981 0.000 2.373) 9.289 3.472 ( 1.074 0.000 -2.416) 2.644 3.500 ( -1.229 0.000 1.503) 1.942 3.606 ( -7.291 0.000 -4.461) 8.547 3.618 ( -0.623 0.000 -3.316) 3.374 3.857 ( -1.722 0.000 0.554) 1.809 3.868 ( -3.105 0.000 -0.240) 3.114 3.936 ( -0.764 0.000 -2.427) 2.544 4.148 ( 2.527 0.000 6.349) 6.834 4.270 ( -0.999 0.000 -2.434) 2.631 4.311 ( -0.637 0.000 1.026) 1.208 4.364 ( 0.708 0.000 0.637) 0.952 4.479 ( -0.077 0.000 2.134) 2.135 4.527 ( 0.824 0.000 1.424) 1.645 4.791 ( 0.982 0.000 -0.610) 1.156 5.134 ( 0.047 0.000 0.256) 0.261 5.162 ( 0.090 0.000 -3.132) 3.134 5.197 ( 2.226 0.000 0.693) 2.332 5.293 ( -2.142 0.000 0.261) 2.158 5.389 ( -1.205 0.000 -0.018) 1.205 5.475 ( -2.268 0.000 -1.234) 2.582 5.870 ( -1.211 0.000 -0.103) 1.215 5.898 ( -1.010 0.000 0.409) 1.089 6.687 ( 0.997 0.000 4.496) 4.605 6.740 ( 1.355 0.000 -4.809) 4.996 6.769 ( 1.391 0.000 -0.784) 1.597 6.792 ( -1.700 0.000 -0.168) 1.708 6.829 ( -2.954 0.000 -1.150) 3.170 7.032 ( 1.802 0.000 -0.277) 1.824 7.050 ( 0.154 0.000 0.429) 0.456 7.117 ( -3.392 0.000 1.114) 3.570 8.000 ( 2.235 0.000 2.181) 3.122 8.143 ( -0.807 0.000 -0.283) 0.856 8.414 ( 1.593 0.000 0.102) 1.596 8.492 ( -0.020 0.000 -1.081) 1.081 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 15.327 0.000) 15.327 0.392 ( 0.000 19.041 0.000) 19.041 0.700 ( 0.000 26.200 0.000) 26.200 0.730 ( 0.000 33.401 0.000) 33.401 0.923 ( 0.000 4.200 0.000) 4.200 1.135 ( 0.000 -6.763 0.000) 6.763 1.460 ( 0.000 -4.517 0.000) 4.517 1.610 ( 0.000 -4.892 0.000) 4.892 1.690 ( 0.000 0.436 0.000) 0.436 1.745 ( 0.000 -4.246 0.000) 4.246 1.933 ( 0.000 3.647 0.000) 3.647 2.117 ( 0.000 -2.780 0.000) 2.780 2.181 ( 0.000 -7.236 0.000) 7.236 2.324 ( 0.000 -9.473 0.000) 9.473 2.374 ( 0.000 2.713 0.000) 2.713 2.480 ( 0.000 -2.826 0.000) 2.826 2.532 ( 0.000 -3.075 0.000) 3.075 2.654 ( 0.000 1.771 0.000) 1.771 2.673 ( 0.000 -3.395 0.000) 3.395 2.728 ( 0.000 6.622 0.000) 6.622 2.847 ( 0.000 0.430 0.000) 0.430 2.976 ( 0.000 6.669 0.000) 6.669 3.004 ( 0.000 4.173 0.000) 4.173 3.085 ( 0.000 4.887 0.000) 4.887 3.169 ( 0.000 6.519 0.000) 6.519 3.265 ( 0.000 -5.781 0.000) 5.781 3.326 ( 0.000 4.585 0.000) 4.585 3.449 ( 0.000 0.258 0.000) 0.258 3.553 ( 0.000 2.759 0.000) 2.759 3.555 ( 0.000 0.117 0.000) 0.117 3.824 ( 0.000 -0.136 0.000) 0.136 3.978 ( 0.000 0.322 0.000) 0.322 4.106 ( 0.000 -4.390 0.000) 4.390 4.159 ( 0.000 2.109 0.000) 2.109 4.203 ( 0.000 2.802 0.000) 2.802 4.395 ( 0.000 -4.803 0.000) 4.803 4.500 ( 0.000 -1.146 0.000) 1.146 4.535 ( 0.000 -6.663 0.000) 6.663 4.536 ( 0.000 -0.090 0.000) 0.090 4.620 ( 0.000 3.086 0.000) 3.086 4.976 ( 0.000 -1.055 0.000) 1.055 5.107 ( 0.000 0.847 0.000) 0.847 5.224 ( 0.000 -3.206 0.000) 3.206 5.445 ( 0.000 -0.201 0.000) 0.201 5.496 ( 0.000 0.061 0.000) 0.061 5.601 ( 0.000 -2.840 0.000) 2.840 5.949 ( 0.000 -2.944 0.000) 2.944 6.038 ( 0.000 -4.337 0.000) 4.337 6.517 ( 0.000 0.838 0.000) 0.838 6.695 ( 0.000 -1.194 0.000) 1.194 6.813 ( 0.000 3.552 0.000) 3.552 6.846 ( 0.000 1.686 0.000) 1.686 6.965 ( 0.000 -3.016 0.000) 3.016 7.076 ( 0.000 -1.917 0.000) 1.917 7.228 ( 0.000 0.685 0.000) 0.685 7.490 ( 0.000 -3.277 0.000) 3.277 7.638 ( 0.000 6.611 0.000) 6.611 8.199 ( 0.000 -0.498 0.000) 0.498 8.232 ( 0.000 3.916 0.000) 3.916 8.668 ( 0.000 -2.009 0.000) 2.009 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 6.397 11.772 7.296) 15.256 0.536 ( 7.392 9.787 14.540) 19.022 0.731 ( -9.805 19.341 13.647) 25.621 0.911 ( 11.724 21.367 5.261) 24.934 0.975 ( 6.395 3.798 1.828) 7.659 1.195 ( 3.208 -3.394 7.215) 8.594 1.372 ( -3.335 0.182 -4.765) 5.819 1.598 ( -0.164 -4.510 0.497) 4.540 1.712 ( -2.027 -5.476 -1.685) 6.077 1.814 ( 2.418 0.453 2.470) 3.486 1.894 ( -1.084 1.706 -4.179) 4.642 1.950 ( -5.366 2.654 -3.832) 7.108 2.198 ( -2.626 -6.250 5.886) 8.977 2.289 ( -2.030 -5.939 -1.625) 6.483 2.311 ( -3.673 -1.123 1.111) 3.998 2.464 ( -0.498 -4.911 -0.814) 5.003 2.552 ( -3.551 -2.102 -2.488) 4.819 2.612 ( -2.350 1.974 0.124) 3.072 2.674 ( -0.590 -0.143 -6.362) 6.391 2.715 ( 1.335 0.515 -3.810) 4.070 2.939 ( -2.264 2.208 -0.020) 3.163 2.975 ( 3.698 1.064 6.273) 7.359 3.026 ( -0.536 4.306 5.146) 6.731 3.097 ( 2.220 8.289 -2.158) 8.848 3.180 ( 3.005 -0.748 1.016) 3.259 3.303 ( 1.596 -6.810 -1.330) 7.120 3.338 ( 0.908 4.472 0.118) 4.565 3.504 ( 4.997 3.122 2.344) 6.341 3.598 ( 4.818 3.523 0.349) 5.979 3.695 ( 4.020 -5.303 7.480) 10.012 3.882 ( 0.894 -4.750 4.183) 6.391 3.984 ( -1.648 -5.137 1.746) 5.670 4.079 ( 0.029 -0.057 -2.326) 2.327 4.155 ( 2.444 0.799 -2.299) 3.449 4.216 ( 0.775 2.110 -1.514) 2.710 4.361 ( -5.557 2.889 -0.886) 6.326 4.382 ( -1.371 -4.414 -0.266) 4.630 4.439 ( -3.519 1.144 -0.034) 3.701 4.589 ( -2.783 1.463 1.549) 3.505 4.726 ( 5.168 -1.331 -2.095) 5.733 4.990 ( 1.028 -1.486 1.072) 2.101 5.107 ( 1.550 -2.540 -0.480) 3.014 5.212 ( 1.104 -2.525 -2.724) 3.875 5.399 ( -0.280 -0.450 -3.779) 3.816 5.519 ( -0.232 0.870 -0.201) 0.922 5.664 ( 0.066 -5.991 5.555) 8.171 5.873 ( -6.570 -5.928 1.367) 8.954 6.082 ( 2.584 -0.305 -0.536) 2.656 6.528 ( 1.195 0.626 0.313) 1.385 6.711 ( -0.621 -1.217 3.116) 3.402 6.816 ( 0.571 1.549 0.515) 1.730 6.846 ( 0.692 0.025 -2.919) 3.000 6.971 ( -1.073 0.349 -2.122) 2.403 7.013 ( -0.015 1.628 -0.329) 1.661 7.189 ( -7.812 -0.459 1.221) 7.920 7.495 ( 3.170 8.231 -0.109) 8.821 7.579 ( -3.293 2.440 -0.113) 4.100 8.192 ( -1.156 -1.135 0.295) 1.647 8.240 ( 0.970 2.376 0.710) 2.663 8.603 ( 0.227 -0.649 -7.308) 7.340 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -13.158 14.161 10.114) 21.817 0.702 ( 10.218 6.031 6.734) 13.643 0.849 ( 10.924 7.875 7.467) 15.398 1.060 ( 5.655 4.236 -1.972) 7.336 1.149 ( 2.575 0.505 8.609) 9.000 1.277 ( 0.713 -0.922 1.566) 1.953 1.423 ( 7.161 6.777 4.660) 10.905 1.512 ( -5.807 -2.002 -4.934) 7.879 1.717 ( 2.087 3.062 -1.843) 4.139 1.751 ( 1.960 -6.101 -3.357) 7.234 1.837 ( -2.640 0.357 0.329) 2.684 1.922 ( -0.328 0.570 -6.019) 6.054 2.191 ( -9.626 4.097 8.247) 13.321 2.247 ( -3.119 -5.128 6.244) 8.661 2.332 ( 3.335 -6.607 1.349) 7.523 2.392 ( -7.383 -2.486 -4.165) 8.834 2.458 ( -3.602 -2.009 2.939) 5.064 2.542 ( -2.986 0.322 -5.735) 6.474 2.612 ( 1.609 0.982 -0.456) 1.939 2.737 ( 3.879 -2.588 0.310) 4.673 2.881 ( -0.793 -3.295 -3.805) 5.095 3.056 ( 2.804 0.583 -1.161) 3.091 3.075 ( -1.315 3.062 5.116) 6.105 3.152 ( 2.904 0.714 2.227) 3.729 3.238 ( 3.823 2.218 -3.408) 5.581 3.328 ( 1.892 -1.961 2.745) 3.868 3.361 ( 2.560 1.055 -0.086) 2.770 3.588 ( 2.457 7.213 -2.533) 8.030 3.674 ( 0.831 -2.515 1.184) 2.902 3.794 ( 1.837 -3.018 2.994) 4.632 3.847 ( -1.013 -2.545 -0.194) 2.746 3.971 ( -2.906 -6.698 -2.188) 7.622 4.009 ( -3.674 1.572 -1.309) 4.205 4.184 ( 0.315 -0.046 -2.337) 2.359 4.254 ( 0.755 2.354 0.632) 2.552 4.303 ( 3.544 -1.758 1.707) 4.308 4.383 ( 0.218 1.657 0.553) 1.760 4.428 ( -0.724 3.376 2.575) 4.307 4.515 ( -6.041 5.390 1.513) 8.236 4.745 ( 0.877 -2.120 -2.123) 3.126 5.038 ( 3.065 -1.967 1.598) 3.978 5.131 ( 1.884 -1.552 -1.333) 2.781 5.199 ( 1.474 -3.581 -4.452) 5.901 5.356 ( -1.306 -0.602 -1.617) 2.164 5.505 ( -0.991 2.222 0.103) 2.436 5.656 ( -3.878 -1.588 -0.226) 4.197 5.813 ( -3.072 -7.745 2.573) 8.720 6.084 ( -1.723 4.315 -0.442) 4.667 6.562 ( 1.980 0.175 1.084) 2.264 6.729 ( -1.264 -1.442 2.633) 3.257 6.797 ( -0.082 -0.630 -4.914) 4.955 6.844 ( 2.537 0.600 -0.461) 2.647 6.952 ( -0.112 4.134 1.465) 4.387 7.044 ( -0.829 -1.021 -1.327) 1.868 7.053 ( -2.473 1.712 -3.461) 4.586 7.432 ( -10.132 10.700 3.781) 15.213 7.677 ( 8.587 -2.595 3.107) 9.494 8.166 ( -2.222 -2.794 -0.029) 3.570 8.279 ( 2.641 -0.686 0.605) 2.795 8.539 ( -0.231 -1.826 -4.787) 5.129 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -8.775 13.278 4.675) 16.588 0.921 ( 9.161 2.205 2.773) 9.822 1.053 ( 2.333 1.996 3.271) 4.486 1.104 ( 8.176 7.765 -2.299) 11.508 1.232 ( -2.461 1.555 7.825) 8.349 1.323 ( 2.395 2.019 -0.895) 3.258 1.428 ( 0.414 -2.527 -0.594) 2.628 1.506 ( 1.285 0.995 -0.401) 1.674 1.621 ( -9.205 -2.432 -7.554) 12.153 1.732 ( -1.425 2.296 3.470) 4.398 1.884 ( 6.594 1.097 -3.756) 7.667 1.939 ( 2.711 1.063 2.881) 4.096 2.100 ( -4.065 -1.369 0.670) 4.341 2.221 ( -3.698 -2.345 -2.979) 5.296 2.237 ( -5.098 -1.093 3.148) 6.090 2.372 ( -3.916 -5.873 4.229) 8.229 2.486 ( 0.335 -1.590 2.149) 2.695 2.532 ( 3.418 -3.902 1.459) 5.389 2.649 ( 1.535 -0.455 3.360) 3.721 2.791 ( 1.787 -1.143 -2.308) 3.135 2.878 ( 0.917 -4.943 4.000) 6.424 3.055 ( 0.122 2.104 -2.561) 3.317 3.106 ( 4.385 -9.984 -1.837) 11.058 3.197 ( -0.621 -4.289 1.399) 4.554 3.270 ( 4.985 6.716 -2.919) 8.859 3.355 ( 1.115 1.850 -0.535) 2.225 3.432 ( 0.819 -2.347 2.267) 3.364 3.509 ( -5.575 0.116 -2.382) 6.063 3.638 ( 0.518 1.688 -4.847) 5.158 3.799 ( -2.223 -3.176 -0.870) 3.973 3.878 ( -2.879 1.039 -1.605) 3.456 3.937 ( 1.827 0.962 3.022) 3.660 3.964 ( 0.412 0.345 -0.685) 0.870 4.110 ( -2.702 2.972 -0.231) 4.023 4.298 ( 2.283 0.469 -0.302) 2.350 4.378 ( -0.852 2.554 -0.744) 2.793 4.393 ( -2.763 5.889 0.402) 6.517 4.418 ( 3.454 -1.221 3.641) 5.164 4.509 ( -0.286 2.940 4.641) 5.502 4.729 ( -0.254 -4.136 -0.931) 4.247 5.110 ( 2.383 -2.012 0.589) 3.174 5.139 ( 1.553 0.360 -1.308) 2.062 5.161 ( 0.859 -4.060 -4.672) 6.249 5.333 ( 0.608 1.486 -1.182) 1.994 5.489 ( -2.333 4.044 1.664) 4.957 5.577 ( -3.040 0.778 -2.467) 3.992 5.811 ( -0.524 -4.787 2.325) 5.348 6.024 ( -4.430 6.194 -0.664) 7.644 6.610 ( 1.778 -0.750 1.551) 2.476 6.719 ( -1.743 -2.564 0.913) 3.232 6.766 ( 1.350 0.646 -3.499) 3.806 6.872 ( 1.309 2.194 -2.746) 3.750 6.924 ( -2.564 0.208 -2.075) 3.305 6.985 ( 1.499 1.424 0.669) 2.173 7.077 ( 1.542 3.280 0.121) 3.627 7.302 ( -9.045 9.211 2.119) 13.082 7.844 ( 5.642 -4.165 4.711) 8.449 8.122 ( -2.470 -4.657 -0.581) 5.304 8.333 ( 3.095 -2.837 0.333) 4.212 8.491 ( -0.908 -2.517 -2.453) 3.630 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -2.831 11.009 1.326) 11.445 1.045 ( 3.756 2.604 0.675) 4.620 1.108 ( 4.047 3.833 -1.206) 5.703 1.176 ( -0.098 4.085 3.900) 5.649 1.294 ( 0.775 5.670 -1.464) 5.907 1.333 ( 0.379 4.253 0.732) 4.332 1.379 ( -2.647 -2.105 -3.416) 4.807 1.467 ( -3.493 1.194 -0.236) 3.699 1.526 ( 0.658 -0.358 2.899) 2.994 1.716 ( -1.294 -1.659 -0.425) 2.146 1.919 ( 2.220 1.348 -2.790) 3.811 1.950 ( -0.394 -2.998 -0.614) 3.085 2.081 ( -3.322 2.914 -1.591) 4.697 2.185 ( 4.953 -7.028 3.036) 9.118 2.269 ( -0.871 -3.394 2.541) 4.328 2.371 ( -1.324 -6.000 5.703) 8.384 2.503 ( 2.381 -2.820 -4.985) 6.203 2.523 ( -3.123 -3.087 -0.176) 4.394 2.690 ( -1.118 1.037 0.325) 1.559 2.813 ( 1.505 -5.118 3.294) 6.270 2.944 ( 0.171 -4.496 5.659) 7.230 3.026 ( 1.329 -0.015 -5.679) 5.832 3.169 ( 3.074 -13.063 -0.066) 13.420 3.203 ( -0.060 -5.685 1.439) 5.865 3.281 ( -1.652 0.411 -6.295) 6.521 3.317 ( 0.676 4.023 0.706) 4.140 3.462 ( 0.400 -2.572 2.601) 3.680 3.468 ( 0.358 0.284 0.194) 0.496 3.609 ( 0.846 6.269 -2.972) 6.989 3.749 ( -2.661 -2.937 0.324) 3.976 3.808 ( -2.786 3.411 -0.663) 4.454 3.912 ( 0.226 1.949 -3.036) 3.615 3.993 ( 0.008 7.958 -0.020) 7.958 4.161 ( 2.114 0.277 6.942) 7.262 4.263 ( -2.183 0.736 -4.527) 5.080 4.365 ( 0.178 0.729 -0.277) 0.800 4.384 ( -0.175 3.916 0.723) 3.986 4.498 ( 2.036 1.025 1.846) 2.933 4.542 ( -0.573 1.219 1.843) 2.283 4.722 ( -0.027 -5.319 -0.104) 5.320 5.099 ( -0.908 -3.102 -0.966) 3.373 5.117 ( 0.473 -2.410 -2.370) 3.413 5.199 ( 1.944 -0.070 0.789) 2.099 5.348 ( 2.162 4.856 -1.106) 5.429 5.461 ( -2.877 5.441 1.632) 6.367 5.521 ( -0.696 1.309 -1.646) 2.215 5.846 ( 1.740 0.157 1.810) 2.515 5.939 ( -3.913 4.182 -1.105) 5.833 6.644 ( 0.715 -3.137 0.666) 3.286 6.711 ( -0.963 -1.487 1.533) 2.343 6.748 ( 0.840 0.739 -2.895) 3.104 6.823 ( -1.198 -0.107 -1.655) 2.046 6.922 ( 0.971 5.746 -0.428) 5.843 7.015 ( 0.853 0.775 0.480) 1.248 7.112 ( 3.154 4.662 -0.247) 5.634 7.191 ( -6.338 7.031 1.120) 9.532 7.945 ( 1.903 -5.379 2.060) 6.066 8.084 ( -1.138 -5.846 -0.397) 5.969 8.378 ( 1.719 -3.404 0.140) 3.816 8.458 ( -0.790 -3.337 -0.741) 3.509 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 6.414 0.000) 6.414 0.747 ( 0.000 16.622 0.000) 16.622 0.842 ( 0.000 -9.406 0.000) 9.406 1.060 ( 0.000 2.369 0.000) 2.369 1.173 ( 0.000 19.691 0.000) 19.691 1.316 ( 0.000 -6.060 0.000) 6.060 1.396 ( 0.000 26.373 0.000) 26.373 1.603 ( 0.000 3.512 0.000) 3.512 1.622 ( 0.000 -6.094 0.000) 6.094 1.716 ( 0.000 -0.268 0.000) 0.268 1.921 ( 0.000 -6.055 0.000) 6.055 2.039 ( 0.000 -6.851 0.000) 6.851 2.042 ( 0.000 -2.045 0.000) 2.045 2.218 ( 0.000 -1.012 0.000) 1.012 2.333 ( 0.000 -6.944 0.000) 6.944 2.475 ( 0.000 2.417 0.000) 2.417 2.529 ( 0.000 2.540 0.000) 2.540 2.574 ( 0.000 -6.168 0.000) 6.168 2.684 ( 0.000 1.302 0.000) 1.302 2.773 ( 0.000 -2.529 0.000) 2.529 2.832 ( 0.000 0.195 0.000) 0.195 3.107 ( 0.000 3.609 0.000) 3.609 3.142 ( 0.000 7.910 0.000) 7.910 3.182 ( 0.000 5.664 0.000) 5.664 3.243 ( 0.000 4.035 0.000) 4.035 3.303 ( 0.000 6.390 0.000) 6.390 3.443 ( 0.000 0.450 0.000) 0.450 3.464 ( 0.000 8.400 0.000) 8.400 3.565 ( 0.000 1.136 0.000) 1.136 3.624 ( 0.000 4.415 0.000) 4.415 3.801 ( 0.000 -2.141 0.000) 2.141 3.959 ( 0.000 -3.039 0.000) 3.039 3.981 ( 0.000 -8.007 0.000) 8.007 4.158 ( 0.000 -5.045 0.000) 5.045 4.281 ( 0.000 4.655 0.000) 4.655 4.310 ( 0.000 -1.351 0.000) 1.351 4.386 ( 0.000 -6.385 0.000) 6.385 4.465 ( 0.000 -2.791 0.000) 2.791 4.532 ( 0.000 -0.130 0.000) 0.130 4.648 ( 0.000 -1.180 0.000) 1.180 4.959 ( 0.000 -0.301 0.000) 0.301 5.086 ( 0.000 -2.712 0.000) 2.712 5.234 ( 0.000 4.596 0.000) 4.596 5.425 ( 0.000 -1.600 0.000) 1.600 5.485 ( 0.000 -1.645 0.000) 1.645 5.528 ( 0.000 -3.932 0.000) 3.932 5.880 ( 0.000 -3.489 0.000) 3.489 5.936 ( 0.000 -5.338 0.000) 5.338 6.537 ( 0.000 1.171 0.000) 1.171 6.653 ( 0.000 -2.813 0.000) 2.813 6.867 ( 0.000 0.835 0.000) 0.835 6.900 ( 0.000 4.856 0.000) 4.856 6.980 ( 0.000 3.988 0.000) 3.988 7.026 ( 0.000 -2.956 0.000) 2.956 7.206 ( 0.000 -2.429 0.000) 2.429 7.398 ( 0.000 -5.856 0.000) 5.856 7.801 ( 0.000 9.046 0.000) 9.046 8.175 ( 0.000 -2.233 0.000) 2.233 8.331 ( 0.000 5.650 0.000) 5.650 8.613 ( 0.000 -3.398 0.000) 3.398 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.353 5.495 10.207) 11.598 0.744 ( 1.591 10.118 4.611) 11.232 0.931 ( 4.285 -7.333 7.828) 11.551 1.107 ( 2.426 1.399 0.773) 2.905 1.111 ( -10.131 15.934 6.076) 19.836 1.282 ( 4.854 2.207 -9.678) 11.050 1.510 ( 5.141 18.029 5.475) 19.531 1.568 ( -0.628 3.044 4.323) 5.324 1.624 ( -0.566 -2.538 -3.586) 4.430 1.800 ( 3.258 -1.907 0.246) 3.783 1.874 ( -1.603 -4.042 -3.409) 5.525 1.982 ( -2.669 0.541 -6.405) 6.960 2.075 ( -1.685 -5.607 8.685) 10.474 2.139 ( -0.380 -4.388 -2.854) 5.249 2.321 ( -1.299 -2.162 0.599) 2.592 2.416 ( 0.880 -0.729 -3.588) 3.765 2.489 ( -2.733 -4.098 -2.607) 5.573 2.619 ( -1.029 0.959 -1.749) 2.245 2.676 ( -4.412 -0.077 -3.051) 5.365 2.719 ( -1.106 0.145 -0.017) 1.116 2.967 ( 2.072 -1.507 8.897) 9.258 3.031 ( -6.366 5.173 2.376) 8.540 3.106 ( -3.296 2.292 1.439) 4.264 3.149 ( -5.761 1.732 3.369) 6.895 3.251 ( -2.041 4.451 1.774) 5.208 3.330 ( 5.822 8.639 -3.173) 10.890 3.389 ( -0.697 0.082 -0.429) 0.823 3.551 ( 5.181 3.014 2.019) 6.325 3.675 ( 9.423 4.053 1.132) 10.320 3.690 ( 3.109 2.303 2.955) 4.868 3.794 ( -2.001 -3.620 1.723) 4.481 3.867 ( -4.889 -6.857 -1.912) 8.636 4.025 ( 0.591 -4.152 1.877) 4.595 4.173 ( 3.473 -2.920 -1.305) 4.722 4.245 ( -1.307 0.269 -6.145) 6.288 4.295 ( 0.422 -0.846 -3.351) 3.481 4.381 ( 1.881 0.473 1.806) 2.650 4.455 ( -2.147 -1.105 1.503) 2.844 4.575 ( 1.846 -1.587 1.463) 2.840 4.683 ( 4.550 -3.233 -2.980) 6.327 4.966 ( 0.225 -0.314 1.424) 1.475 5.077 ( 0.135 -1.218 -1.120) 1.660 5.227 ( 0.103 4.194 -1.634) 4.502 5.384 ( -0.907 -0.750 -2.475) 2.740 5.509 ( -0.068 -2.690 -1.838) 3.259 5.549 ( 1.183 -4.552 4.671) 6.628 5.806 ( -5.383 -1.171 1.610) 5.740 6.033 ( 7.381 -4.482 -0.763) 8.669 6.546 ( 0.804 1.166 0.417) 1.476 6.669 ( 0.241 -2.931 1.879) 3.490 6.848 ( 0.028 1.029 -3.305) 3.461 6.872 ( -1.651 3.879 -0.008) 4.216 7.003 ( -0.529 -1.754 -1.791) 2.562 7.038 ( 4.880 4.876 0.366) 6.909 7.153 ( -6.673 -2.669 0.988) 7.254 7.458 ( 7.977 -5.296 -2.329) 9.854 7.761 ( -6.405 9.871 2.743) 12.083 8.152 ( -3.138 -3.002 0.496) 4.370 8.312 ( -2.164 4.537 0.285) 5.035 8.566 ( -2.606 -2.875 -3.167) 5.009 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -1.567 2.723 8.615) 9.170 0.911 ( 2.799 5.564 10.227) 11.974 1.026 ( -4.419 12.852 5.517) 14.668 1.069 ( 1.108 -6.182 5.574) 8.398 1.154 ( 0.750 -1.274 6.018) 6.197 1.288 ( 6.452 4.460 -6.460) 10.161 1.523 ( -3.215 3.158 -6.225) 7.685 1.584 ( 2.774 5.828 1.310) 6.586 1.682 ( 1.090 3.316 -2.538) 4.316 1.771 ( 1.524 1.698 -0.715) 2.391 1.805 ( 1.763 -3.642 -2.880) 4.966 1.920 ( 0.666 -0.024 -5.024) 5.068 2.161 ( -1.278 -4.097 5.993) 7.371 2.217 ( 0.640 -3.852 12.370) 12.972 2.258 ( -5.958 0.439 0.622) 6.006 2.363 ( -6.363 -0.592 -7.539) 9.883 2.422 ( 2.117 -1.502 -0.544) 2.652 2.529 ( -3.087 0.755 -7.252) 7.918 2.632 ( 0.149 -2.006 5.662) 6.009 2.661 ( -0.035 -1.300 -4.116) 4.316 2.894 ( -8.372 4.272 0.289) 9.404 3.018 ( -3.390 -2.049 -2.733) 4.813 3.047 ( -3.970 -5.961 3.332) 7.899 3.144 ( -3.875 1.063 5.549) 6.852 3.318 ( 0.797 0.146 6.178) 6.231 3.349 ( -1.488 -3.827 -3.217) 5.216 3.377 ( 2.666 7.545 2.160) 8.289 3.626 ( -4.883 -2.322 -3.165) 6.265 3.696 ( 5.672 4.422 0.443) 7.206 3.792 ( 1.258 0.440 1.414) 1.943 3.821 ( 1.576 0.841 1.647) 2.430 3.868 ( 4.687 -1.330 2.994) 5.718 4.022 ( -1.669 -0.800 -0.893) 2.055 4.184 ( -0.012 -2.526 -5.778) 6.307 4.223 ( 2.824 -1.497 1.068) 3.369 4.286 ( 4.966 0.903 -1.349) 5.224 4.443 ( -0.396 -2.348 2.435) 3.406 4.454 ( 2.869 2.970 -0.485) 4.158 4.585 ( -1.987 1.713 0.771) 2.735 4.694 ( 0.948 -3.210 -3.553) 4.881 5.010 ( 2.792 -0.443 2.068) 3.502 5.078 ( 2.054 -2.035 -2.132) 3.593 5.195 ( -1.032 2.289 -2.931) 3.860 5.366 ( 1.328 1.972 -1.261) 2.691 5.487 ( 0.120 -4.636 -2.132) 5.104 5.598 ( -0.600 -2.941 2.750) 4.071 5.769 ( -0.859 3.029 1.852) 3.653 6.122 ( 3.785 -1.037 -0.684) 3.984 6.572 ( 1.324 0.851 1.031) 1.881 6.682 ( -0.990 -2.754 1.328) 3.214 6.811 ( 0.722 1.798 -3.922) 4.375 6.871 ( 1.578 2.341 0.196) 2.829 6.975 ( -0.799 -2.305 -4.000) 4.685 7.048 ( -3.508 0.810 -0.737) 3.675 7.120 ( 4.108 5.650 0.316) 6.993 7.567 ( 4.203 -2.945 -0.259) 5.138 7.673 ( -7.046 7.413 5.366) 11.550 8.084 ( -5.289 -5.270 0.060) 7.467 8.282 ( -1.504 1.336 0.401) 2.051 8.488 ( -2.956 -3.308 -2.277) 4.986 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -7.690 7.922 4.556) 11.943 1.018 ( 2.735 6.030 4.241) 7.863 1.066 ( 1.517 -1.523 4.744) 5.209 1.213 ( 5.306 -1.588 11.023) 12.336 1.220 ( 0.899 1.622 3.263) 3.753 1.344 ( 3.891 -0.067 -0.802) 3.973 1.440 ( 1.306 4.270 -5.881) 7.384 1.586 ( -0.418 7.440 -2.949) 8.014 1.609 ( -5.760 1.896 -4.561) 7.588 1.760 ( 0.739 1.451 -1.147) 1.992 1.878 ( 2.969 -2.801 0.337) 4.095 1.936 ( 5.756 -0.911 -0.148) 5.830 2.068 ( -8.373 -1.188 -5.084) 9.868 2.197 ( -3.015 -0.516 -2.397) 3.886 2.229 ( -0.449 -0.684 1.807) 1.984 2.261 ( -8.298 -4.773 5.127) 10.859 2.464 ( 0.802 -1.503 -4.393) 4.712 2.491 ( 2.622 0.590 3.743) 4.608 2.624 ( 1.703 -2.629 1.386) 3.426 2.711 ( -0.971 -2.785 -0.817) 3.060 2.848 ( 0.105 -1.329 8.397) 8.502 2.921 ( -1.864 -4.594 -5.503) 7.407 3.019 ( -4.232 -8.853 4.611) 10.842 3.105 ( -3.230 0.211 -0.238) 3.246 3.239 ( -4.146 -9.505 -3.708) 11.013 3.319 ( -4.877 -6.997 -1.983) 8.757 3.485 ( 2.988 7.858 3.672) 9.174 3.540 ( -3.101 2.354 3.632) 5.324 3.754 ( 3.647 6.858 -3.020) 8.334 3.804 ( -1.247 3.191 -1.520) 3.748 3.858 ( 1.899 2.313 0.665) 3.065 3.948 ( 2.112 0.000 -1.592) 2.645 4.026 ( 1.532 1.649 4.524) 5.052 4.134 ( 0.591 0.228 -1.200) 1.357 4.288 ( 3.279 -0.820 -0.503) 3.417 4.386 ( 5.297 -1.708 0.952) 5.646 4.429 ( -2.213 -0.557 -0.309) 2.303 4.484 ( 1.565 2.540 -2.774) 4.074 4.550 ( -3.015 2.143 2.358) 4.387 4.667 ( -0.432 -1.472 -0.590) 1.643 5.069 ( 1.392 -1.758 -0.056) 2.243 5.092 ( 2.167 -2.241 -2.826) 4.208 5.152 ( 0.211 1.168 -0.607) 1.333 5.392 ( 2.632 3.074 -1.061) 4.183 5.469 ( 1.068 -5.233 -2.535) 5.912 5.591 ( -2.644 0.444 1.281) 2.971 5.822 ( 4.146 6.385 2.389) 7.979 6.133 ( -1.465 3.614 -0.979) 4.021 6.603 ( 0.819 0.160 0.705) 1.093 6.673 ( -0.949 -2.008 0.998) 2.435 6.788 ( 0.978 1.363 -3.433) 3.821 6.876 ( -3.023 -2.016 -4.870) 6.076 6.925 ( 4.399 2.158 0.068) 4.900 7.051 ( 1.647 2.337 0.360) 2.882 7.177 ( 2.670 7.182 0.498) 7.678 7.496 ( -8.919 9.482 1.133) 13.067 7.731 ( 2.933 -6.937 4.365) 8.705 7.992 ( -4.960 -8.005 -0.647) 9.440 8.277 ( 0.367 -2.114 0.446) 2.191 8.421 ( -3.117 -4.294 -0.796) 5.366 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -3.431 9.857 0.925) 10.478 1.118 ( 5.698 3.112 1.953) 6.780 1.159 ( 0.689 -0.551 5.403) 5.474 1.258 ( 1.094 3.017 1.199) 3.426 1.339 ( -0.455 -1.664 -1.537) 2.310 1.378 ( -2.498 -0.213 1.713) 3.036 1.421 ( -5.117 8.244 -4.016) 10.501 1.499 ( 9.304 3.782 3.932) 10.786 1.567 ( -0.421 3.023 0.934) 3.192 1.710 ( -5.846 2.232 -4.586) 7.758 1.875 ( -1.380 -2.236 -3.923) 4.722 1.957 ( 5.289 -1.516 -3.706) 6.634 2.040 ( 2.994 -2.677 1.404) 4.255 2.128 ( -7.199 -3.154 1.580) 8.017 2.163 ( -2.259 -4.399 -0.151) 4.947 2.298 ( 1.666 -1.441 7.210) 7.539 2.419 ( 0.618 -2.841 -6.507) 7.127 2.526 ( -2.214 0.911 1.616) 2.889 2.654 ( 1.518 -4.416 -1.054) 4.787 2.710 ( -0.346 -4.355 3.820) 5.803 2.843 ( -0.828 -7.221 -4.321) 8.456 2.959 ( 1.339 -4.407 5.866) 7.458 3.012 ( -1.571 -6.270 0.696) 6.502 3.067 ( 0.066 -0.425 -0.704) 0.825 3.157 ( -2.197 -15.138 -0.398) 15.302 3.216 ( -2.862 -5.817 -2.248) 6.861 3.477 ( -1.130 1.738 -0.716) 2.193 3.621 ( 1.901 10.112 5.027) 11.451 3.745 ( 0.851 6.056 -2.209) 6.502 3.781 ( -1.500 5.790 -1.964) 6.296 3.868 ( 0.412 3.827 0.528) 3.885 3.937 ( 0.488 0.803 -2.425) 2.601 4.123 ( 2.651 0.190 4.281) 5.039 4.162 ( 0.178 2.897 1.609) 3.319 4.306 ( 1.402 2.848 -2.451) 4.010 4.370 ( -1.997 -1.030 -1.487) 2.695 4.444 ( -0.198 1.074 0.725) 1.311 4.465 ( 1.054 -3.288 -2.350) 4.177 4.556 ( -0.428 1.071 2.502) 2.755 4.670 ( 0.277 0.235 0.487) 0.608 5.065 ( -1.044 -0.766 0.275) 1.323 5.073 ( 0.952 -1.285 -2.953) 3.359 5.192 ( 1.511 -0.542 1.182) 1.993 5.408 ( 0.540 -4.819 -0.739) 4.905 5.482 ( 3.061 1.828 -1.876) 4.029 5.551 ( -3.138 2.736 1.130) 4.314 5.939 ( 6.347 8.163 2.173) 10.566 6.060 ( -5.289 6.941 -1.514) 8.857 6.607 ( -0.119 -0.461 -0.227) 0.528 6.682 ( -0.067 -1.536 1.327) 2.031 6.767 ( 0.443 0.969 -2.120) 2.372 6.805 ( -1.059 -1.398 -1.708) 2.448 7.001 ( 4.079 3.104 0.002) 5.126 7.063 ( -0.989 2.915 0.072) 3.079 7.241 ( 5.065 8.091 0.229) 9.548 7.360 ( -8.179 9.184 0.687) 12.318 7.802 ( 1.290 -8.577 1.810) 8.860 7.923 ( -2.206 -9.964 -0.550) 10.220 8.297 ( 1.247 -4.123 0.235) 4.313 8.371 ( -2.121 -5.114 -0.140) 5.538 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 -0.947 0.000) 0.947 0.649 ( 0.000 -7.522 0.000) 7.522 1.022 ( 0.000 9.825 0.000) 9.825 1.105 ( 0.000 0.495 0.000) 0.495 1.308 ( 0.000 5.117 0.000) 5.117 1.451 ( 0.000 9.578 0.000) 9.578 1.463 ( 0.000 -8.667 0.000) 8.667 1.627 ( 0.000 -8.106 0.000) 8.106 1.729 ( 0.000 7.496 0.000) 7.496 1.765 ( 0.000 6.926 0.000) 6.926 1.846 ( 0.000 0.788 0.000) 0.788 1.916 ( 0.000 -5.443 0.000) 5.443 2.062 ( 0.000 4.221 0.000) 4.221 2.185 ( 0.000 -7.212 0.000) 7.212 2.255 ( 0.000 4.470 0.000) 4.470 2.391 ( 0.000 -8.892 0.000) 8.892 2.554 ( 0.000 5.048 0.000) 5.048 2.612 ( 0.000 1.949 0.000) 1.949 2.697 ( 0.000 -3.347 0.000) 3.347 2.697 ( 0.000 -0.647 0.000) 0.647 2.892 ( 0.000 6.876 0.000) 6.876 3.063 ( 0.000 -7.664 0.000) 7.664 3.273 ( 0.000 3.420 0.000) 3.420 3.298 ( 0.000 0.650 0.000) 0.650 3.302 ( 0.000 7.088 0.000) 7.088 3.386 ( 0.000 -0.123 0.000) 0.123 3.536 ( 0.000 7.669 0.000) 7.669 3.617 ( 0.000 4.643 0.000) 4.643 3.630 ( 0.000 6.506 0.000) 6.506 3.693 ( 0.000 1.082 0.000) 1.082 3.795 ( 0.000 0.235 0.000) 0.235 3.810 ( 0.000 -3.577 0.000) 3.577 3.835 ( 0.000 -8.781 0.000) 8.781 3.982 ( 0.000 -10.459 0.000) 10.459 4.306 ( 0.000 1.748 0.000) 1.748 4.363 ( 0.000 2.567 0.000) 2.567 4.367 ( 0.000 1.965 0.000) 1.965 4.386 ( 0.000 -4.651 0.000) 4.651 4.534 ( 0.000 0.721 0.000) 0.721 4.585 ( 0.000 -4.058 0.000) 4.058 4.977 ( 0.000 2.122 0.000) 2.122 5.031 ( 0.000 -2.911 0.000) 2.911 5.355 ( 0.000 6.490 0.000) 6.490 5.401 ( 0.000 -0.289 0.000) 0.289 5.428 ( 0.000 -2.933 0.000) 2.933 5.460 ( 0.000 -3.890 0.000) 3.890 5.830 ( 0.000 -1.098 0.000) 1.098 5.849 ( 0.000 -2.988 0.000) 2.988 6.563 ( 0.000 1.485 0.000) 1.485 6.600 ( 0.000 -2.305 0.000) 2.305 6.899 ( 0.000 2.386 0.000) 2.386 6.953 ( 0.000 -2.365 0.000) 2.365 7.008 ( 0.000 3.861 0.000) 3.861 7.059 ( 0.000 1.363 0.000) 1.363 7.169 ( 0.000 1.031 0.000) 1.031 7.269 ( 0.000 -6.789 0.000) 6.789 7.972 ( 0.000 7.896 0.000) 7.896 8.103 ( 0.000 -5.162 0.000) 5.162 8.441 ( 0.000 5.313 0.000) 5.313 8.537 ( 0.000 -4.327 0.000) 4.327 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 1.294 0.207 12.109) 12.180 0.756 ( 4.444 -6.120 10.111) 12.627 0.947 ( -2.508 7.219 -1.863) 7.865 1.060 ( -2.661 -4.258 -3.797) 6.295 1.327 ( -2.728 7.268 2.775) 8.244 1.380 ( 0.209 4.018 -1.629) 4.340 1.557 ( 2.911 -0.255 0.560) 2.975 1.644 ( -0.656 -3.583 3.611) 5.129 1.737 ( 4.303 2.308 -7.422) 8.884 1.784 ( 1.251 2.480 -3.293) 4.309 1.859 ( 1.541 4.439 4.159) 6.274 1.951 ( 1.842 -4.673 3.498) 6.121 2.028 ( -5.066 3.320 1.468) 6.233 2.096 ( -5.636 -2.043 0.844) 6.054 2.295 ( 1.638 0.577 -0.012) 1.736 2.359 ( 2.551 -5.140 -7.142) 9.162 2.450 ( -0.724 2.540 -3.921) 4.727 2.547 ( -1.238 -6.171 -5.696) 8.489 2.748 ( -5.424 4.072 4.062) 7.905 2.756 ( -4.072 3.075 3.657) 6.278 2.957 ( 0.961 0.665 7.956) 8.041 3.015 ( -2.595 -4.395 1.270) 5.260 3.188 ( -5.666 5.948 -0.681) 8.243 3.262 ( -10.123 5.712 2.348) 11.858 3.315 ( -0.121 -3.566 -0.927) 3.686 3.343 ( -3.417 0.859 1.531) 3.842 3.462 ( -5.305 5.442 2.625) 8.040 3.608 ( -3.912 -5.543 2.811) 7.344 3.663 ( 3.147 1.994 -0.382) 3.745 3.740 ( 0.122 -3.824 -0.878) 3.926 3.794 ( 8.900 6.431 -0.260) 10.983 3.820 ( 3.844 5.889 -1.151) 7.126 3.929 ( 4.247 -5.079 1.764) 6.851 4.019 ( 2.718 -9.962 0.579) 10.342 4.271 ( -0.917 3.108 -2.981) 4.404 4.351 ( 2.767 3.786 -5.176) 6.985 4.367 ( -2.112 -4.975 0.883) 5.476 4.401 ( 4.051 -0.765 -1.439) 4.367 4.565 ( 2.642 0.503 0.455) 2.727 4.606 ( 2.705 -3.702 -1.263) 4.756 4.988 ( 0.924 2.441 0.822) 2.737 5.042 ( 0.937 -2.444 0.059) 2.618 5.335 ( -2.810 5.051 -0.795) 5.834 5.397 ( 1.379 2.746 -0.101) 3.074 5.423 ( -1.661 -4.379 -0.584) 4.720 5.480 ( 3.030 -3.904 -0.059) 4.942 5.826 ( 0.954 3.199 0.844) 3.444 5.923 ( 6.832 -6.001 -0.405) 9.103 6.573 ( 0.726 1.656 0.687) 1.935 6.613 ( 0.627 -2.442 1.148) 2.770 6.887 ( 0.127 2.696 -2.227) 3.499 6.947 ( 0.134 -3.006 -1.345) 3.296 6.962 ( -2.739 4.674 -0.687) 5.461 7.056 ( -2.657 -4.198 -0.039) 4.968 7.189 ( 3.935 6.943 0.129) 7.982 7.333 ( 6.829 -7.098 -0.971) 9.897 7.937 ( -5.610 7.870 2.000) 9.869 8.069 ( -4.841 -5.464 1.056) 7.376 8.407 ( -3.641 4.840 -0.336) 6.066 8.496 ( -3.561 -4.093 -1.304) 5.580 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.203 3.630 7.747) 8.639 0.911 ( -0.182 -7.959 5.618) 9.743 0.988 ( 1.767 3.009 10.434) 11.002 1.054 ( 0.755 -3.846 7.296) 8.282 1.279 ( -4.293 7.970 1.939) 9.258 1.352 ( 0.488 0.365 -5.217) 5.253 1.591 ( 4.115 3.780 -6.448) 8.533 1.667 ( 0.410 1.258 3.511) 3.752 1.712 ( 3.490 -1.237 -7.691) 8.536 1.774 ( 1.070 -2.084 0.581) 2.413 1.848 ( -3.312 8.369 -3.420) 9.628 1.927 ( -0.355 -0.062 -2.932) 2.954 2.085 ( 1.808 -2.185 5.710) 6.376 2.132 ( -1.107 -5.164 10.571) 11.817 2.266 ( -3.377 1.407 -2.793) 4.603 2.320 ( -1.171 -3.677 -6.784) 7.804 2.427 ( 3.001 3.589 -2.839) 5.472 2.531 ( 1.724 -5.646 1.822) 6.178 2.605 ( -8.312 4.264 -0.350) 9.349 2.669 ( -6.468 -1.053 -0.879) 6.612 2.956 ( -5.293 2.524 0.000) 5.864 2.991 ( -5.126 0.067 1.735) 5.412 3.071 ( -10.953 4.987 1.235) 12.098 3.117 ( -8.471 -2.670 3.049) 9.391 3.251 ( -3.811 -3.350 -3.464) 6.144 3.285 ( -5.158 -3.929 -0.265) 6.490 3.476 ( -0.956 3.339 8.515) 9.196 3.551 ( -4.495 -4.358 4.918) 7.962 3.770 ( 3.768 2.182 0.706) 4.411 3.818 ( 8.606 -0.234 3.587) 9.326 3.880 ( 5.445 6.945 -0.706) 8.853 3.915 ( 4.656 4.467 -0.747) 6.495 3.986 ( 1.292 -2.423 0.411) 2.777 4.056 ( 2.131 -8.090 -0.593) 8.387 4.250 ( 1.537 2.973 -1.527) 3.679 4.338 ( 1.207 -2.908 -3.697) 4.856 4.367 ( 2.884 2.382 -0.863) 3.839 4.457 ( 5.327 -2.991 -3.574) 7.078 4.606 ( 1.526 0.737 -0.096) 1.697 4.630 ( 1.775 -2.304 -1.195) 3.144 5.021 ( 1.628 1.424 0.932) 2.355 5.053 ( 0.758 -1.357 -0.608) 1.669 5.263 ( -3.489 4.552 -1.670) 5.974 5.370 ( -3.075 -5.903 -0.978) 6.727 5.441 ( 4.128 4.810 -1.134) 6.439 5.534 ( 2.519 -4.059 0.798) 4.843 5.885 ( 5.056 7.783 0.619) 9.302 6.040 ( 7.215 -6.852 -0.412) 9.959 6.596 ( 0.683 1.544 1.026) 1.976 6.633 ( -0.027 -2.196 1.139) 2.474 6.858 ( 0.174 2.820 -3.721) 4.672 6.918 ( -0.808 -3.122 -4.060) 5.185 6.936 ( 0.659 3.982 -0.016) 4.037 7.015 ( -0.303 -3.432 -0.204) 3.451 7.274 ( 5.178 8.926 0.492) 10.331 7.446 ( 6.613 -7.898 0.639) 10.320 7.833 ( -9.792 7.467 2.647) 12.596 7.968 ( -8.476 -6.305 0.969) 10.608 8.332 ( -4.606 3.601 0.051) 5.847 8.412 ( -4.799 -4.174 -0.691) 6.398 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -2.891 5.033 6.151) 8.457 0.964 ( -0.184 -6.793 6.254) 9.235 1.103 ( 0.046 2.677 7.161) 7.645 1.158 ( 1.972 -3.068 10.064) 10.704 1.281 ( 1.266 3.635 2.020) 4.347 1.330 ( 1.605 -1.405 -1.188) 2.441 1.561 ( 2.215 7.627 -7.077) 10.638 1.686 ( 1.200 3.042 -4.821) 5.825 1.729 ( -3.389 -2.024 -1.264) 4.144 1.749 ( 3.003 0.798 -0.681) 3.181 1.845 ( 1.379 4.294 0.757) 4.573 1.922 ( 4.254 -1.278 -0.241) 4.448 2.060 ( -7.008 1.055 -4.635) 8.468 2.144 ( -7.138 -6.389 2.973) 10.031 2.182 ( -3.272 -0.407 -3.672) 4.936 2.206 ( -1.247 -2.285 0.697) 2.695 2.472 ( 1.961 2.106 -3.752) 4.729 2.502 ( -1.103 0.815 0.174) 1.383 2.583 ( -0.319 -0.990 0.003) 1.041 2.634 ( 1.131 -5.840 4.145) 7.250 2.841 ( -6.330 3.371 -2.072) 7.465 2.922 ( -4.839 0.436 3.080) 5.753 2.942 ( -6.557 0.461 2.342) 6.978 2.990 ( -7.008 -7.228 -0.173) 10.069 3.148 ( -5.027 -1.245 -0.892) 5.255 3.185 ( -4.842 -5.171 -1.328) 7.207 3.544 ( -2.184 1.333 3.338) 4.206 3.574 ( 0.480 -0.663 8.004) 8.046 3.851 ( 3.992 4.744 1.059) 6.290 3.919 ( 1.728 1.923 -0.938) 2.750 3.929 ( 1.021 2.908 -1.417) 3.392 3.982 ( 2.384 3.663 -2.280) 4.929 4.017 ( 4.028 0.959 3.190) 5.227 4.113 ( 4.530 -3.213 0.956) 5.636 4.273 ( 1.649 -0.285 0.245) 1.691 4.319 ( -0.135 -4.717 -1.358) 4.911 4.421 ( 3.603 2.187 -0.700) 4.272 4.479 ( 2.661 -2.473 -4.522) 5.800 4.611 ( -0.085 2.823 -0.404) 2.853 4.647 ( 1.253 -1.063 -0.090) 1.645 5.049 ( 0.576 -0.047 0.015) 0.578 5.064 ( 1.685 -1.146 -0.358) 2.068 5.200 ( -1.850 4.008 -1.143) 4.560 5.309 ( -2.369 -6.694 -1.823) 7.331 5.500 ( 4.095 4.355 -0.961) 6.055 5.571 ( 0.882 -2.481 0.600) 2.700 5.993 ( 6.703 9.123 0.552) 11.334 6.132 ( 4.150 -3.978 -0.632) 5.783 6.614 ( 0.207 0.891 0.793) 1.211 6.638 ( -0.358 -1.540 0.980) 1.860 6.816 ( -0.108 1.404 -3.825) 4.077 6.842 ( -1.807 -1.340 -4.423) 4.963 6.983 ( 4.409 3.578 0.177) 5.681 7.048 ( 3.467 -2.307 0.156) 4.167 7.355 ( 3.447 10.223 1.000) 10.835 7.552 ( 4.685 -8.631 1.502) 9.935 7.682 ( -11.103 6.907 1.897) 13.213 7.829 ( -8.424 -7.935 0.254) 11.575 8.270 ( -3.171 1.574 0.539) 3.581 8.332 ( -4.456 -4.315 0.221) 6.207 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -1.906 8.857 1.871) 9.251 1.016 ( 0.058 -8.872 3.042) 9.379 1.212 ( 3.074 3.347 5.890) 7.439 1.264 ( -0.243 -1.840 2.119) 2.817 1.335 ( 1.699 1.547 2.007) 3.050 1.377 ( 1.564 -1.622 3.864) 4.473 1.528 ( 1.119 4.011 -1.809) 4.540 1.605 ( -5.262 0.534 -2.695) 5.936 1.660 ( 4.205 8.897 -4.688) 10.900 1.801 ( -5.750 5.621 -4.724) 9.326 1.843 ( 6.754 -6.143 -2.672) 9.513 1.881 ( -0.894 1.424 -2.503) 3.015 2.005 ( -10.149 -4.856 2.574) 11.541 2.038 ( 1.712 -3.568 2.230) 4.542 2.132 ( -0.419 2.810 -0.211) 2.849 2.243 ( 1.466 -5.672 3.012) 6.587 2.433 ( 0.861 4.782 -2.097) 5.292 2.525 ( -1.080 -1.757 0.830) 2.223 2.576 ( 2.035 -1.763 -2.057) 3.388 2.638 ( -3.103 -5.573 -0.768) 6.425 2.742 ( -2.421 0.897 -1.278) 2.881 2.849 ( -2.324 -8.040 -1.480) 8.499 2.923 ( -0.576 -2.277 2.251) 3.253 2.957 ( -1.586 -2.653 3.421) 4.611 3.087 ( -1.794 0.994 0.260) 2.067 3.121 ( -1.864 -2.884 -0.013) 3.433 3.539 ( -0.723 4.939 0.686) 5.038 3.649 ( 0.298 -4.733 3.718) 6.026 3.896 ( 0.137 5.236 0.451) 5.258 3.912 ( 1.602 6.644 -1.920) 7.099 3.946 ( 0.986 1.337 -0.951) 1.915 3.957 ( -0.967 2.180 -0.869) 2.538 4.111 ( 2.713 1.154 1.844) 3.477 4.181 ( 1.705 -2.242 0.535) 2.867 4.293 ( -0.041 -2.431 0.228) 2.442 4.304 ( -0.315 -4.697 -0.589) 4.744 4.441 ( 0.930 3.536 -0.993) 3.789 4.485 ( 1.321 -0.346 -0.893) 1.631 4.605 ( -0.234 3.517 0.017) 3.525 4.663 ( 0.559 -1.738 -0.068) 1.826 5.054 ( 0.229 0.878 0.147) 0.919 5.077 ( 0.338 -0.178 -0.797) 0.884 5.187 ( 0.327 0.796 0.523) 1.007 5.259 ( -1.247 -6.670 -1.404) 6.929 5.548 ( 2.682 2.741 -0.772) 3.912 5.577 ( -0.798 -0.094 0.551) 0.974 6.098 ( 4.833 6.475 0.582) 8.100 6.154 ( -0.612 1.318 -0.670) 1.600 6.619 ( -0.100 1.311 0.235) 1.335 6.650 ( 0.198 -1.706 0.907) 1.942 6.779 ( -0.057 0.246 -2.122) 2.137 6.784 ( -0.903 -0.472 -1.744) 2.020 7.063 ( 4.130 2.935 0.040) 5.067 7.097 ( 1.261 -0.007 -0.090) 1.264 7.418 ( 3.805 9.577 0.852) 10.340 7.526 ( -8.812 6.425 0.683) 10.927 7.629 ( 2.813 -7.693 0.995) 8.251 7.717 ( -4.512 -9.852 -0.440) 10.845 8.243 ( -0.646 -0.739 0.308) 1.029 8.276 ( -2.324 -3.796 0.237) 4.458 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( -0.844 0.000 16.053) 16.075 0.352 ( -5.053 0.000 17.076) 17.808 0.647 ( 9.633 0.000 30.515) 31.999 0.862 ( -0.611 0.000 1.692) 1.799 1.040 ( -1.296 0.000 -5.888) 6.029 1.265 ( -1.447 0.000 2.834) 3.182 1.335 ( 1.990 0.000 -7.931) 8.177 1.717 ( 2.543 0.000 -7.493) 7.912 1.768 ( -2.561 0.000 -5.276) 5.865 1.805 ( 6.271 0.000 -0.912) 6.337 1.957 ( -21.367 0.000 3.723) 21.689 2.015 ( -3.910 0.000 8.172) 9.059 2.345 ( 7.503 0.000 -10.450) 12.864 2.374 ( 0.566 0.000 5.583) 5.611 2.424 ( -5.272 0.000 10.154) 11.441 2.452 ( 3.004 0.000 -5.398) 6.177 2.522 ( 1.728 0.000 -0.410) 1.776 2.568 ( 0.580 0.000 -1.568) 1.672 2.684 ( -5.253 0.000 1.196) 5.387 2.702 ( -0.993 0.000 -4.717) 4.820 2.865 ( -4.388 0.000 -7.884) 9.022 2.956 ( 2.087 0.000 1.855) 2.792 3.018 ( -5.611 0.000 2.489) 6.138 3.084 ( -1.523 0.000 4.696) 4.937 3.185 ( 1.768 0.000 6.087) 6.339 3.306 ( 1.166 0.000 1.526) 1.921 3.373 ( 4.987 0.000 0.105) 4.988 3.395 ( 0.203 0.000 -1.875) 1.886 3.535 ( 0.406 0.000 1.025) 1.102 3.736 ( 1.294 0.000 -7.839) 7.945 3.989 ( -1.182 0.000 -7.471) 7.563 4.024 ( 3.490 0.000 4.287) 5.528 4.096 ( -2.475 0.000 -6.163) 6.642 4.205 ( 2.807 0.000 1.704) 3.284 4.257 ( -1.521 0.000 1.225) 1.952 4.356 ( 1.622 0.000 5.192) 5.439 4.470 ( -1.193 0.000 1.347) 1.799 4.477 ( 0.774 0.000 -3.069) 3.165 4.598 ( 2.580 0.000 0.649) 2.661 4.611 ( -1.900 0.000 0.362) 1.934 5.003 ( 0.642 0.000 1.522) 1.652 5.141 ( 0.379 0.000 -1.131) 1.193 5.145 ( 12.031 0.000 1.898) 12.179 5.258 ( -3.248 0.000 -1.219) 3.469 5.542 ( -0.478 0.000 2.212) 2.263 5.759 ( 2.145 0.000 -2.332) 3.168 5.980 ( 1.523 0.000 0.121) 1.528 6.064 ( 0.813 0.000 -1.343) 1.570 6.525 ( -0.804 0.000 1.831) 2.000 6.776 ( -0.806 0.000 0.226) 0.837 6.778 ( 1.893 0.000 -3.865) 4.304 6.938 ( -2.212 0.000 1.554) 2.703 6.983 ( 2.232 0.000 -7.529) 7.853 7.016 ( 3.212 0.000 0.041) 3.212 7.323 ( 9.248 0.000 5.300) 10.659 7.433 ( -32.362 0.000 -0.633) 32.369 7.654 ( -8.545 0.000 5.899) 10.384 8.102 ( 21.404 0.000 -4.496) 21.871 8.204 ( -0.149 0.000 1.165) 1.175 8.220 ( 2.109 0.000 1.026) 2.345 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 7.703 0.000 10.825) 13.286 0.559 ( 6.929 0.000 11.641) 13.547 0.843 ( -14.014 0.000 2.536) 14.242 0.912 ( 5.356 0.000 -1.205) 5.490 1.147 ( 11.017 0.000 23.817) 26.241 1.319 ( 1.221 0.000 -0.115) 1.227 1.332 ( 2.729 0.000 -0.204) 2.737 1.551 ( -5.128 0.000 -14.405) 15.290 1.605 ( -3.428 0.000 -2.433) 4.204 1.796 ( -3.307 0.000 2.899) 4.398 1.875 ( 1.341 0.000 -1.674) 2.145 1.991 ( -8.358 0.000 3.043) 8.895 2.323 ( -1.027 0.000 -4.829) 4.937 2.397 ( -4.691 0.000 3.555) 5.885 2.419 ( -1.312 0.000 2.223) 2.581 2.497 ( 4.386 0.000 -2.461) 5.029 2.527 ( -2.906 0.000 9.300) 9.744 2.551 ( -1.781 0.000 1.936) 2.631 2.619 ( -3.553 0.000 -1.794) 3.980 2.713 ( -0.740 0.000 -0.059) 0.743 2.799 ( 9.792 0.000 -3.721) 10.475 2.903 ( -3.887 0.000 -2.094) 4.416 3.065 ( 4.688 0.000 3.663) 5.949 3.121 ( -1.616 0.000 -2.382) 2.878 3.241 ( 1.700 0.000 0.908) 1.927 3.290 ( -2.612 0.000 0.287) 2.628 3.353 ( -2.089 0.000 2.885) 3.562 3.430 ( 2.935 0.000 -2.298) 3.728 3.648 ( 7.217 0.000 3.660) 8.091 3.766 ( 9.570 0.000 -6.612) 11.632 3.876 ( -2.415 0.000 -4.385) 5.006 3.972 ( -2.582 0.000 -6.934) 7.399 4.088 ( -2.316 0.000 4.030) 4.648 4.220 ( -3.712 0.000 -1.467) 3.991 4.272 ( 0.866 0.000 2.739) 2.873 4.379 ( -0.784 0.000 7.388) 7.430 4.403 ( -3.355 0.000 -1.018) 3.506 4.443 ( -2.798 0.000 0.514) 2.845 4.541 ( -5.580 0.000 0.706) 5.624 4.681 ( 4.958 0.000 -2.995) 5.792 5.036 ( 1.391 0.000 2.300) 2.688 5.133 ( 0.103 0.000 -1.832) 1.835 5.201 ( -0.276 0.000 -3.530) 3.540 5.334 ( 7.172 0.000 -0.265) 7.177 5.538 ( -3.271 0.000 2.973) 4.421 5.713 ( -2.433 0.000 -4.354) 4.988 5.981 ( -0.899 0.000 -1.368) 1.636 6.033 ( -2.332 0.000 -1.496) 2.770 6.546 ( 0.576 0.000 2.380) 2.448 6.758 ( 1.292 0.000 -5.060) 5.222 6.783 ( 1.341 0.000 -0.108) 1.345 6.912 ( 0.983 0.000 -1.127) 1.496 6.951 ( -10.951 0.000 4.278) 11.757 6.970 ( 0.222 0.000 -1.810) 1.823 7.129 ( -7.426 0.000 2.232) 7.754 7.535 ( -12.310 0.000 5.158) 13.347 7.569 ( 11.786 0.000 6.237) 13.335 8.184 ( 1.387 0.000 -3.000) 3.306 8.238 ( 2.612 0.000 0.948) 2.779 8.373 ( 11.751 0.000 -7.842) 14.127 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -13.051 0.000 6.239) 14.466 0.785 ( 9.443 0.000 6.075) 11.228 0.808 ( 6.391 0.000 4.184) 7.639 0.981 ( 5.262 0.000 -4.075) 6.656 1.261 ( -1.915 0.000 -5.063) 5.414 1.279 ( -1.904 0.000 -7.496) 7.734 1.458 ( 4.266 0.000 1.598) 4.556 1.487 ( 4.290 0.000 12.903) 13.598 1.683 ( 7.500 0.000 -0.573) 7.521 1.719 ( -6.747 0.000 -11.326) 13.183 1.774 ( -2.905 0.000 2.365) 3.746 2.000 ( -0.382 0.000 9.865) 9.872 2.185 ( -9.691 0.000 -0.234) 9.693 2.303 ( -5.451 0.000 -7.386) 9.180 2.384 ( -4.016 0.000 0.261) 4.024 2.476 ( -0.597 0.000 1.433) 1.552 2.556 ( -1.562 0.000 2.702) 3.121 2.632 ( 0.534 0.000 3.325) 3.368 2.641 ( 0.663 0.000 4.240) 4.291 2.736 ( 3.320 0.000 9.409) 9.977 2.901 ( 5.363 0.000 -1.897) 5.688 2.986 ( 11.913 0.000 -0.662) 11.931 3.014 ( -2.976 0.000 -4.490) 5.387 3.116 ( 0.970 0.000 -1.617) 1.885 3.240 ( -1.098 0.000 -0.377) 1.161 3.309 ( 4.491 0.000 0.798) 4.562 3.409 ( 3.820 0.000 0.158) 3.823 3.416 ( -0.728 0.000 -4.782) 4.837 3.679 ( -1.659 0.000 -6.426) 6.637 3.793 ( -1.196 0.000 -3.765) 3.951 3.858 ( 3.119 0.000 -0.411) 3.146 3.953 ( 2.134 0.000 1.886) 2.848 4.086 ( -6.644 0.000 -3.631) 7.572 4.089 ( -0.929 0.000 5.032) 5.117 4.277 ( -2.300 0.000 -0.109) 2.302 4.364 ( -1.995 0.000 0.649) 2.098 4.413 ( -2.457 0.000 0.336) 2.480 4.464 ( 1.859 0.000 4.525) 4.892 4.500 ( -1.737 0.000 4.961) 5.256 4.697 ( 2.826 0.000 -4.669) 5.458 5.099 ( 2.750 0.000 2.478) 3.702 5.115 ( 0.592 0.000 -1.501) 1.614 5.164 ( 0.405 0.000 -4.068) 4.088 5.399 ( -0.540 0.000 3.044) 3.091 5.505 ( -4.825 0.000 3.552) 5.991 5.607 ( -3.834 0.000 -4.673) 6.044 5.930 ( -2.332 0.000 -2.506) 3.423 5.969 ( -2.905 0.000 -1.775) 3.404 6.596 ( 2.013 0.000 2.798) 3.447 6.724 ( 1.371 0.000 -4.574) 4.775 6.797 ( -0.104 0.000 -1.504) 1.508 6.852 ( -6.207 0.000 5.431) 8.247 6.932 ( -2.355 0.000 0.090) 2.357 6.942 ( 3.185 0.000 -2.803) 4.243 7.074 ( -2.187 0.000 0.363) 2.217 7.367 ( -11.095 0.000 1.338) 11.176 7.828 ( 8.207 0.000 8.803) 12.035 8.161 ( 0.394 0.000 -3.847) 3.867 8.304 ( 4.091 0.000 0.888) 4.186 8.430 ( 5.218 0.000 -5.485) 7.571 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -10.847 0.000 8.881) 14.019 0.913 ( 5.367 0.000 -2.530) 5.933 0.967 ( 2.116 0.000 -8.391) 8.654 1.009 ( 10.201 0.000 5.552) 11.614 1.227 ( 4.739 0.000 -7.346) 8.742 1.246 ( 3.684 0.000 0.286) 3.695 1.502 ( -6.390 0.000 -5.744) 8.592 1.526 ( -10.439 0.000 4.831) 11.503 1.600 ( 1.622 0.000 9.749) 9.883 1.739 ( 1.578 0.000 -2.542) 2.992 1.799 ( 5.998 0.000 -0.737) 6.043 2.029 ( -6.725 0.000 0.500) 6.744 2.081 ( -3.880 0.000 -7.425) 8.378 2.184 ( 4.501 0.000 5.555) 7.150 2.322 ( -1.306 0.000 -5.350) 5.507 2.494 ( -2.908 0.000 -3.321) 4.414 2.570 ( 0.165 0.000 10.501) 10.502 2.612 ( -2.897 0.000 -4.024) 4.959 2.680 ( -0.469 0.000 5.312) 5.333 2.889 ( 2.793 0.000 -7.231) 7.751 2.925 ( 1.306 0.000 10.194) 10.278 3.088 ( 4.193 0.000 8.222) 9.229 3.090 ( 3.769 0.000 -9.509) 10.229 3.130 ( 3.440 0.000 -0.116) 3.442 3.278 ( 5.175 0.000 1.788) 5.475 3.310 ( 0.368 0.000 -0.722) 0.811 3.407 ( 3.917 0.000 -1.053) 4.056 3.454 ( 4.274 0.000 -3.695) 5.650 3.604 ( -0.185 0.000 -1.522) 1.533 3.694 ( -6.451 0.000 -3.375) 7.281 3.854 ( -1.786 0.000 -3.196) 3.662 3.939 ( -4.811 0.000 0.130) 4.813 3.996 ( -2.858 0.000 3.351) 4.405 4.176 ( 1.763 0.000 6.544) 6.777 4.253 ( 0.168 0.000 -2.275) 2.282 4.337 ( -1.729 0.000 -0.255) 1.748 4.364 ( -1.357 0.000 -1.221) 1.825 4.518 ( 1.166 0.000 0.628) 1.325 4.538 ( -2.131 0.000 4.702) 5.163 4.696 ( 4.359 0.000 -5.793) 7.249 5.122 ( 0.945 0.000 -1.675) 1.924 5.140 ( 0.860 0.000 0.552) 1.022 5.165 ( 2.399 0.000 1.336) 2.746 5.385 ( -4.969 0.000 3.245) 5.935 5.462 ( -5.049 0.000 3.850) 6.349 5.517 ( -2.683 0.000 -0.923) 2.837 5.864 ( -1.253 0.000 -3.585) 3.797 5.909 ( -1.533 0.000 -2.429) 2.872 6.665 ( 2.489 0.000 2.345) 3.420 6.713 ( 2.536 0.000 -3.162) 4.054 6.746 ( -2.424 0.000 -0.916) 2.591 6.848 ( -2.803 0.000 4.729) 5.497 6.865 ( -2.984 0.000 -1.939) 3.559 6.981 ( 3.120 0.000 -1.203) 3.344 7.058 ( -0.512 0.000 0.480) 0.702 7.220 ( -7.537 0.000 0.343) 7.545 7.996 ( 2.491 0.000 5.376) 5.925 8.123 ( 0.715 0.000 -4.297) 4.356 8.385 ( 3.293 0.000 2.035) 3.871 8.449 ( 2.990 0.000 -3.008) 4.241 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -9.201 0.000 10.267) 13.787 0.916 ( 4.747 0.000 -9.628) 10.735 0.984 ( 6.564 0.000 -0.912) 6.627 1.190 ( 4.594 0.000 -3.132) 5.561 1.286 ( 8.359 0.000 5.661) 10.096 1.348 ( -7.637 0.000 -1.901) 7.870 1.356 ( -12.265 0.000 2.120) 12.447 1.362 ( 6.830 0.000 2.371) 7.230 1.641 ( -5.171 0.000 1.020) 5.271 1.735 ( -0.099 0.000 -0.713) 0.720 1.861 ( 4.147 0.000 -4.288) 5.965 1.952 ( -3.494 0.000 -1.761) 3.913 2.027 ( 5.107 0.000 3.334) 6.099 2.216 ( -1.521 0.000 -9.023) 9.150 2.332 ( 0.685 0.000 -0.732) 1.002 2.393 ( -0.537 0.000 -6.751) 6.772 2.505 ( -0.955 0.000 -0.159) 0.968 2.679 ( -2.911 0.000 9.408) 9.849 2.715 ( -1.853 0.000 4.598) 4.957 2.896 ( 2.894 0.000 -1.032) 3.073 2.903 ( -3.674 0.000 -8.085) 8.880 3.032 ( 3.346 0.000 -4.317) 5.461 3.188 ( -1.318 0.000 5.409) 5.567 3.206 ( 2.592 0.000 2.126) 3.352 3.362 ( 2.472 0.000 0.472) 2.517 3.418 ( 5.968 0.000 -0.054) 5.969 3.490 ( 3.549 0.000 5.080) 6.197 3.508 ( 1.303 0.000 1.101) 1.706 3.520 ( -3.344 0.000 -3.386) 4.759 3.642 ( 1.380 0.000 5.181) 5.362 3.800 ( 1.040 0.000 -3.102) 3.272 3.857 ( -2.797 0.000 -0.731) 2.891 4.013 ( -2.804 0.000 6.519) 7.096 4.147 ( -4.259 0.000 -6.976) 8.174 4.275 ( 1.335 0.000 3.022) 3.304 4.302 ( -1.041 0.000 -1.819) 2.096 4.357 ( 0.501 0.000 -1.039) 1.154 4.515 ( -4.179 0.000 1.518) 4.446 4.517 ( -0.089 0.000 -2.408) 2.410 4.716 ( 5.364 0.000 -5.871) 7.953 5.124 ( 1.032 0.000 -0.053) 1.034 5.193 ( 0.883 0.000 4.941) 5.019 5.195 ( 0.761 0.000 -0.948) 1.216 5.345 ( -3.473 0.000 3.660) 5.046 5.429 ( -3.730 0.000 3.863) 5.370 5.492 ( -2.166 0.000 3.200) 3.864 5.822 ( 1.550 0.000 -4.390) 4.656 5.868 ( 0.439 0.000 -3.413) 3.441 6.666 ( -1.497 0.000 -2.124) 2.599 6.735 ( 3.403 0.000 -2.705) 4.347 6.769 ( 2.471 0.000 2.911) 3.818 6.822 ( -0.450 0.000 0.629) 0.773 6.846 ( -3.932 0.000 5.532) 6.787 7.013 ( 2.431 0.000 -1.422) 2.817 7.055 ( -0.536 0.000 0.027) 0.536 7.126 ( -4.022 0.000 -0.313) 4.034 8.029 ( -2.039 0.000 0.653) 2.141 8.103 ( 2.189 0.000 -3.526) 4.150 8.437 ( -0.089 0.000 2.130) 2.132 8.471 ( 2.463 0.000 -1.012) 2.663 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -8.547 0.000 11.037) 13.959 0.936 ( 7.054 0.000 -4.629) 8.437 1.078 ( 2.544 0.000 -3.510) 4.335 1.161 ( -9.453 0.000 0.816) 9.488 1.162 ( -11.382 0.000 2.062) 11.567 1.221 ( 4.510 0.000 -7.069) 8.385 1.500 ( 1.355 0.000 7.216) 7.342 1.505 ( 4.289 0.000 0.374) 4.306 1.563 ( 3.895 0.000 -2.814) 4.805 1.699 ( -1.842 0.000 0.924) 2.060 1.894 ( 2.921 0.000 0.716) 3.008 1.904 ( -1.628 0.000 -0.862) 1.842 2.111 ( -3.281 0.000 -5.420) 6.336 2.114 ( 1.869 0.000 -8.375) 8.581 2.240 ( 2.498 0.000 2.580) 3.591 2.340 ( 1.958 0.000 -5.597) 5.930 2.567 ( -0.372 0.000 1.469) 1.515 2.638 ( -7.813 0.000 1.435) 7.944 2.723 ( -2.844 0.000 2.700) 3.922 2.790 ( -0.688 0.000 -2.762) 2.847 2.931 ( 0.874 0.000 0.661) 1.095 3.058 ( 3.459 0.000 -3.281) 4.768 3.172 ( -4.849 0.000 1.422) 5.053 3.267 ( 3.975 0.000 0.834) 4.061 3.357 ( -6.046 0.000 -0.268) 6.051 3.395 ( -1.138 0.000 2.563) 2.804 3.463 ( 0.902 0.000 1.137) 1.451 3.531 ( -3.488 0.000 2.826) 4.489 3.693 ( 8.304 0.000 4.224) 9.317 3.728 ( -0.626 0.000 4.127) 4.174 3.832 ( 4.724 0.000 -0.492) 4.750 3.867 ( 3.262 0.000 -0.222) 3.270 4.000 ( -1.050 0.000 -6.240) 6.328 4.030 ( -1.838 0.000 3.208) 3.697 4.270 ( 0.031 0.000 -2.076) 2.077 4.304 ( 0.068 0.000 0.649) 0.653 4.337 ( -0.769 0.000 -1.172) 1.402 4.454 ( -4.107 0.000 0.388) 4.126 4.467 ( -1.614 0.000 -4.114) 4.419 4.738 ( 4.239 0.000 -4.903) 6.482 5.143 ( 0.301 0.000 0.922) 0.970 5.174 ( -1.596 0.000 -1.289) 2.051 5.259 ( 0.038 0.000 5.720) 5.720 5.347 ( -1.916 0.000 4.451) 4.846 5.430 ( -1.436 0.000 3.990) 4.241 5.522 ( 1.689 0.000 3.371) 3.771 5.820 ( 4.234 0.000 -5.005) 6.556 5.854 ( 2.912 0.000 -3.779) 4.771 6.618 ( -1.460 0.000 -2.048) 2.515 6.755 ( 2.721 0.000 -2.250) 3.530 6.801 ( -2.358 0.000 1.970) 3.073 6.864 ( 2.269 0.000 1.765) 2.875 6.876 ( -0.258 0.000 6.563) 6.568 7.025 ( 0.566 0.000 -0.649) 0.861 7.038 ( -0.658 0.000 -0.725) 0.979 7.090 ( 1.144 0.000 -1.370) 1.785 7.958 ( -5.570 0.000 -1.540) 5.778 8.119 ( 3.333 0.000 -2.332) 4.068 8.424 ( -3.186 0.000 0.821) 3.290 8.511 ( 2.622 0.000 0.667) 2.706 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -6.562 0.000 13.345) 14.871 0.861 ( -12.188 0.000 -8.653) 14.947 0.919 ( -13.441 0.000 -1.559) 13.531 1.061 ( 5.220 0.000 2.124) 5.635 1.119 ( -4.887 0.000 -2.305) 5.403 1.259 ( 1.503 0.000 -1.462) 2.097 1.437 ( -6.161 0.000 -3.842) 7.260 1.455 ( 2.077 0.000 -4.515) 4.970 1.722 ( 5.937 0.000 4.078) 7.203 1.727 ( -2.096 0.000 -0.361) 2.127 1.864 ( 1.082 0.000 -7.672) 7.748 1.945 ( -0.885 0.000 9.228) 9.270 2.001 ( 0.744 0.000 -1.575) 1.742 2.168 ( 11.828 0.000 -3.008) 12.205 2.338 ( 4.293 0.000 -3.849) 5.766 2.343 ( 4.447 0.000 -0.303) 4.457 2.511 ( -5.883 0.000 -0.861) 5.946 2.550 ( -3.592 0.000 6.380) 7.322 2.682 ( -3.531 0.000 0.145) 3.534 2.788 ( -0.228 0.000 1.152) 1.174 2.951 ( 2.025 0.000 -0.817) 2.183 3.042 ( -2.314 0.000 -1.156) 2.587 3.084 ( -5.120 0.000 -0.666) 5.163 3.288 ( -3.340 0.000 0.069) 3.341 3.329 ( -9.881 0.000 2.451) 10.180 3.337 ( 1.710 0.000 -0.720) 1.856 3.495 ( -2.721 0.000 7.806) 8.267 3.528 ( 0.350 0.000 1.688) 1.724 3.641 ( -3.037 0.000 -8.727) 9.241 3.861 ( 6.101 0.000 4.862) 7.802 3.869 ( 1.519 0.000 -4.464) 4.715 3.898 ( 1.324 0.000 -1.807) 2.241 4.030 ( 5.042 0.000 -4.392) 6.686 4.074 ( 4.153 0.000 7.013) 8.150 4.258 ( -0.552 0.000 -0.350) 0.653 4.307 ( 1.009 0.000 -1.275) 1.626 4.342 ( 1.460 0.000 1.584) 2.155 4.379 ( -3.737 0.000 -3.371) 5.033 4.399 ( -2.683 0.000 1.012) 2.867 4.750 ( 2.797 0.000 -3.467) 4.455 5.120 ( -3.510 0.000 -0.651) 3.570 5.152 ( -0.217 0.000 0.851) 0.878 5.319 ( 0.115 0.000 4.923) 4.924 5.373 ( -0.065 0.000 3.168) 3.169 5.451 ( -0.986 0.000 2.935) 3.096 5.604 ( 3.684 0.000 2.147) 4.265 5.849 ( 6.396 0.000 -5.925) 8.718 5.887 ( 5.407 0.000 -3.004) 6.186 6.575 ( -1.519 0.000 -1.277) 1.984 6.771 ( -3.593 0.000 2.280) 4.256 6.786 ( 3.232 0.000 -0.990) 3.380 6.880 ( -0.330 0.000 -1.894) 1.923 6.910 ( -2.835 0.000 2.621) 3.861 7.045 ( 1.059 0.000 1.723) 2.022 7.055 ( 2.691 0.000 2.397) 3.604 7.124 ( 5.251 0.000 -3.100) 6.098 7.832 ( -7.837 0.000 -0.188) 7.839 8.152 ( 2.986 0.000 -1.631) 3.402 8.361 ( -4.678 0.000 0.022) 4.678 8.569 ( 2.893 0.000 1.236) 3.146 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -8.405 0.000 0.526) 8.421 0.615 ( -12.091 0.000 13.485) 18.112 0.640 ( -17.483 0.000 -1.141) 17.520 0.897 ( -18.417 0.000 -1.784) 18.503 1.077 ( -9.449 0.000 0.289) 9.453 1.274 ( -7.512 0.000 -2.479) 7.910 1.276 ( 7.494 0.000 1.117) 7.577 1.572 ( 12.361 0.000 -1.499) 12.451 1.676 ( 0.543 0.000 -1.311) 1.419 1.732 ( 0.790 0.000 -13.508) 13.531 1.867 ( 5.108 0.000 5.626) 7.599 1.998 ( -4.886 0.000 4.354) 6.545 2.120 ( 6.339 0.000 6.948) 9.406 2.315 ( 3.268 0.000 -0.225) 3.275 2.363 ( 3.075 0.000 -6.730) 7.399 2.412 ( 5.369 0.000 2.981) 6.141 2.518 ( 11.608 0.000 -3.074) 12.009 2.576 ( -3.019 0.000 5.229) 6.037 2.641 ( -1.342 0.000 2.661) 2.980 2.803 ( -1.922 0.000 4.961) 5.320 2.915 ( -2.380 0.000 -5.007) 5.544 2.986 ( -3.063 0.000 1.060) 3.241 3.074 ( -0.459 0.000 5.403) 5.422 3.169 ( -10.918 0.000 1.705) 11.050 3.241 ( -1.001 0.000 -0.624) 1.180 3.265 ( -6.319 0.000 -4.165) 7.568 3.453 ( -3.059 0.000 -9.140) 9.638 3.542 ( -3.519 0.000 10.858) 11.414 3.589 ( -0.756 0.000 1.080) 1.318 3.785 ( -2.211 0.000 -15.312) 15.471 3.865 ( 4.041 0.000 -3.505) 5.349 3.972 ( 0.372 0.000 2.461) 2.489 4.107 ( 4.985 0.000 -1.660) 5.254 4.178 ( 0.092 0.000 4.222) 4.223 4.223 ( -3.788 0.000 1.116) 3.949 4.297 ( -0.639 0.000 -1.153) 1.318 4.326 ( 2.506 0.000 -0.528) 2.561 4.389 ( 1.711 0.000 2.775) 3.260 4.449 ( 5.457 0.000 2.817) 6.142 4.751 ( 0.879 0.000 -2.730) 2.868 5.054 ( -3.623 0.000 -0.109) 3.625 5.158 ( 0.016 0.000 0.438) 0.439 5.353 ( -2.794 0.000 4.416) 5.225 5.397 ( 1.132 0.000 -2.425) 2.676 5.467 ( 1.175 0.000 0.762) 1.400 5.664 ( 1.590 0.000 0.668) 1.725 5.901 ( 7.549 0.000 -6.140) 9.731 5.959 ( 6.165 0.000 -1.922) 6.458 6.543 ( -1.607 0.000 0.237) 1.625 6.747 ( -2.532 0.000 3.956) 4.697 6.834 ( 1.313 0.000 -2.620) 2.930 6.844 ( 1.700 0.000 -0.487) 1.768 6.863 ( -3.836 0.000 0.351) 3.852 7.085 ( 1.727 0.000 1.664) 2.398 7.153 ( 3.543 0.000 -6.924) 7.778 7.158 ( 3.658 0.000 6.062) 7.080 7.726 ( -7.013 0.000 4.586) 8.379 8.176 ( 1.920 0.000 -1.373) 2.360 8.283 ( -4.664 0.000 0.218) 4.669 8.615 ( 2.449 0.000 -2.590) 3.564 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -6.692 0.000 14.089) 15.598 0.360 ( -17.079 0.000 6.030) 18.113 0.537 ( -24.476 0.000 9.468) 26.244 0.879 ( 8.961 0.000 24.874) 26.439 0.919 ( -8.004 0.000 0.928) 8.058 1.220 ( 1.150 0.000 4.727) 4.865 1.382 ( 5.856 0.000 -8.024) 9.934 1.668 ( 2.970 0.000 1.784) 3.465 1.736 ( 5.306 0.000 -0.745) 5.358 1.749 ( 8.873 0.000 -1.187) 8.952 1.943 ( -0.846 0.000 7.250) 7.299 2.004 ( 1.461 0.000 4.841) 5.057 2.300 ( 6.214 0.000 5.839) 8.527 2.323 ( 0.050 0.000 1.959) 1.960 2.328 ( 5.627 0.000 -9.247) 10.825 2.495 ( 1.093 0.000 0.585) 1.240 2.544 ( -3.981 0.000 1.029) 4.111 2.637 ( 3.210 0.000 -9.059) 9.611 2.749 ( 3.921 0.000 2.020) 4.410 2.787 ( -6.980 0.000 4.014) 8.052 2.939 ( 10.855 0.000 9.899) 14.691 2.971 ( -2.806 0.000 0.466) 2.845 3.042 ( -5.989 0.000 0.844) 6.049 3.063 ( -7.873 0.000 -4.352) 8.996 3.087 ( -1.843 0.000 2.515) 3.118 3.276 ( 1.989 0.000 0.631) 2.087 3.343 ( 0.430 0.000 -4.637) 4.657 3.503 ( -7.778 0.000 -16.738) 18.457 3.564 ( -3.454 0.000 1.261) 3.677 3.680 ( 8.416 0.000 12.995) 15.483 3.906 ( -6.783 0.000 1.853) 7.031 3.923 ( 4.892 0.000 0.384) 4.907 4.147 ( 0.272 0.000 0.783) 0.828 4.175 ( -1.431 0.000 -2.055) 2.504 4.200 ( -0.937 0.000 3.712) 3.829 4.274 ( -1.504 0.000 0.470) 1.576 4.430 ( 7.488 0.000 -0.060) 7.489 4.449 ( 1.018 0.000 2.702) 2.887 4.571 ( 4.683 0.000 2.058) 5.115 4.698 ( -3.618 0.000 -3.944) 5.353 5.009 ( -2.078 0.000 0.398) 2.116 5.154 ( -0.525 0.000 -0.521) 0.739 5.256 ( -8.563 0.000 -16.439) 18.536 5.322 ( -4.620 0.000 1.933) 5.008 5.508 ( 2.032 0.000 1.172) 2.346 5.701 ( 1.383 0.000 3.836) 4.078 5.950 ( 4.569 0.000 -3.737) 5.902 6.033 ( 4.489 0.000 -1.381) 4.696 6.528 ( -1.451 0.000 1.455) 2.055 6.796 ( 0.474 0.000 -3.582) 3.613 6.805 ( -2.723 0.000 1.138) 2.951 6.839 ( 5.548 0.000 9.936) 11.380 6.907 ( 2.665 0.000 1.496) 3.056 7.076 ( -0.353 0.000 -9.062) 9.069 7.164 ( 4.854 0.000 2.335) 5.387 7.344 ( 10.312 0.000 13.615) 17.079 7.695 ( -5.735 0.000 7.251) 9.244 8.183 ( 0.908 0.000 -2.483) 2.644 8.222 ( -3.153 0.000 0.815) 3.256 8.471 ( -12.186 0.000 -21.986) 25.137 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 2.534 12.811 8.785) 15.739 0.558 ( 0.211 12.518 12.750) 17.870 0.869 ( -1.077 3.477 3.973) 5.388 0.897 ( 4.207 18.419 14.062) 23.552 1.051 ( -0.629 4.641 -0.169) 4.687 1.198 ( 3.188 -2.055 8.052) 8.901 1.413 ( -2.092 4.522 -3.419) 6.043 1.654 ( 1.708 -4.991 -6.693) 8.522 1.687 ( -4.272 -9.856 4.679) 11.717 1.812 ( -1.899 0.423 -0.593) 2.034 1.904 ( -2.792 3.122 0.229) 4.195 2.034 ( -6.149 -3.434 2.233) 7.388 2.194 ( 5.467 -9.152 -1.977) 10.843 2.345 ( -3.016 -5.084 5.964) 8.397 2.405 ( -2.927 -4.079 -3.621) 6.190 2.422 ( 2.141 -6.933 -1.841) 7.486 2.489 ( 4.210 2.339 -6.716) 8.264 2.556 ( 0.033 4.495 5.239) 6.903 2.739 ( -6.303 2.398 -0.003) 6.744 2.744 ( -3.509 -0.452 -1.564) 3.869 2.920 ( 2.462 5.298 -6.691) 8.883 2.983 ( 2.931 2.568 5.009) 6.346 3.051 ( 3.559 1.565 3.876) 5.490 3.086 ( -3.947 5.332 2.075) 6.951 3.220 ( -2.023 1.154 5.114) 5.620 3.296 ( 0.282 -1.264 3.573) 3.800 3.345 ( -0.167 3.740 0.904) 3.852 3.461 ( 0.843 1.797 0.071) 1.986 3.530 ( 2.184 -2.030 -0.771) 3.079 3.659 ( 5.375 -0.268 0.587) 5.413 3.914 ( 1.996 -6.777 7.896) 10.595 3.984 ( -1.573 -0.949 -4.423) 4.789 4.015 ( 2.989 -0.540 -1.002) 3.198 4.148 ( -1.066 -1.368 0.469) 1.797 4.230 ( -1.874 0.293 -0.054) 1.897 4.376 ( 0.621 -5.960 -1.539) 6.187 4.460 ( -3.686 -3.339 -1.398) 5.166 4.477 ( -0.624 2.513 -2.408) 3.536 4.607 ( 2.590 -1.434 2.376) 3.796 4.628 ( -0.181 1.819 0.889) 2.033 4.988 ( 0.847 -0.734 1.230) 1.664 5.100 ( -1.019 -0.464 -0.825) 1.391 5.210 ( -2.817 -2.555 -0.912) 3.911 5.300 ( 4.523 4.509 -5.695) 8.557 5.533 ( -0.074 -0.818 2.045) 2.204 5.688 ( 1.299 -5.418 1.935) 5.898 5.948 ( 2.351 -2.897 0.260) 3.740 6.028 ( -1.152 -3.402 -0.945) 3.714 6.521 ( -0.051 0.273 1.337) 1.365 6.762 ( -0.371 -3.285 3.179) 4.587 6.796 ( 0.952 0.612 -4.739) 4.872 6.840 ( -0.050 0.375 2.686) 2.713 6.943 ( -0.963 -0.166 -1.864) 2.105 7.023 ( -1.019 -1.287 -2.921) 3.351 7.292 ( 10.401 -2.119 3.899) 11.308 7.443 ( -13.446 -1.848 -3.157) 13.935 7.716 ( -3.807 6.093 6.878) 9.946 8.186 ( 1.728 0.279 -2.120) 2.750 8.243 ( 0.377 3.719 0.989) 3.867 8.420 ( 4.744 11.525 -13.098) 18.080 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 6.213 8.031 9.435) 13.861 0.731 ( 6.714 13.050 7.389) 16.431 0.897 ( -1.937 5.120 1.563) 5.693 0.986 ( -0.594 6.736 -0.679) 6.796 1.194 ( 4.251 1.392 13.670) 14.383 1.333 ( -5.745 -0.140 1.292) 5.890 1.356 ( 5.439 6.234 4.066) 9.218 1.525 ( -4.919 -1.519 -9.267) 10.601 1.640 ( 1.953 1.680 -2.366) 3.498 1.722 ( -0.995 -3.663 1.234) 3.991 1.897 ( -1.919 0.731 -1.348) 2.456 1.949 ( -7.739 -4.228 2.054) 9.055 2.247 ( 3.727 -5.476 -0.675) 6.658 2.358 ( -3.295 -3.929 1.589) 5.368 2.420 ( -1.052 -2.797 -2.326) 3.787 2.427 ( 4.658 -6.066 3.300) 8.330 2.497 ( 1.564 -4.556 -1.667) 5.097 2.534 ( -9.352 3.049 5.359) 11.201 2.628 ( -4.545 3.657 -0.699) 5.876 2.703 ( -0.277 -1.001 1.752) 2.037 2.884 ( 1.090 4.665 -3.443) 5.900 2.984 ( -2.415 6.530 -2.872) 7.532 3.110 ( 4.474 4.260 3.459) 7.080 3.133 ( 3.004 -0.637 -4.035) 5.071 3.213 ( -5.487 1.915 3.699) 6.889 3.332 ( -1.120 1.851 -0.958) 2.366 3.349 ( 1.132 0.470 7.181) 7.285 3.505 ( 5.087 6.188 -1.383) 8.129 3.627 ( 6.035 -2.562 0.557) 6.580 3.750 ( 6.147 1.015 -2.159) 6.594 3.855 ( -2.610 -2.157 -2.641) 4.294 3.962 ( -0.738 -2.073 -5.168) 5.617 4.056 ( -3.123 -2.286 -0.408) 3.892 4.185 ( 0.507 -3.256 1.136) 3.485 4.212 ( 3.234 -4.813 5.183) 7.777 4.351 ( -5.350 -2.010 -1.498) 5.909 4.386 ( 0.547 -0.766 1.317) 1.619 4.459 ( -0.076 1.876 1.458) 2.377 4.611 ( -3.758 2.954 0.473) 4.803 4.669 ( 3.276 -1.116 -2.486) 4.261 5.032 ( 1.441 -0.552 2.994) 3.369 5.083 ( 1.401 -3.552 -1.854) 4.245 5.165 ( -1.284 -1.935 -2.012) 3.073 5.336 ( 3.681 -0.314 -1.779) 4.100 5.526 ( -2.232 -1.494 0.878) 2.826 5.698 ( -1.113 -2.150 -1.560) 2.880 5.892 ( -5.278 -4.911 0.560) 7.231 6.063 ( 2.916 0.209 -1.091) 3.120 6.547 ( 0.902 0.397 2.209) 2.418 6.747 ( 0.359 -1.020 -5.791) 5.891 6.779 ( -0.262 -0.803 2.024) 2.193 6.848 ( -2.655 -2.281 2.237) 4.154 6.939 ( 1.774 2.408 -1.774) 3.477 7.009 ( 1.818 -0.539 -0.172) 1.904 7.160 ( -12.305 0.966 -1.627) 12.450 7.532 ( 8.866 -2.990 1.043) 9.414 7.667 ( -7.966 10.055 8.949) 15.641 8.175 ( 0.019 -0.946 -2.727) 2.887 8.256 ( 0.743 2.064 0.668) 2.293 8.426 ( 6.551 3.678 -7.433) 10.569 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -12.853 12.740 5.261) 18.846 0.839 ( 4.991 4.714 5.023) 8.507 0.920 ( 9.151 10.422 2.716) 14.133 1.024 ( 4.300 3.894 -2.613) 6.363 1.216 ( 0.534 -2.023 -8.389) 8.646 1.323 ( 1.369 -1.953 5.347) 5.855 1.376 ( 0.624 -0.736 -7.002) 7.068 1.514 ( 2.908 0.985 7.804) 8.386 1.705 ( -8.337 -1.541 -6.111) 10.451 1.725 ( 5.494 0.568 -3.083) 6.326 1.790 ( 1.177 3.635 5.431) 6.641 1.967 ( -0.460 -2.527 8.087) 8.485 2.203 ( -8.055 0.258 -2.147) 8.341 2.269 ( -5.675 -1.961 -4.782) 7.676 2.348 ( -3.093 -3.623 0.472) 4.787 2.408 ( -1.951 -5.086 -1.019) 5.542 2.528 ( -0.357 -3.545 1.197) 3.758 2.534 ( -1.552 -3.408 4.610) 5.940 2.655 ( 4.832 -1.929 4.218) 6.698 2.749 ( 1.051 0.493 6.739) 6.838 2.881 ( -0.936 1.517 0.045) 1.783 2.983 ( 6.087 -5.307 -2.532) 8.463 3.080 ( -1.586 4.964 -5.719) 7.738 3.149 ( 2.345 3.741 -2.799) 5.227 3.221 ( 0.194 1.449 3.756) 4.031 3.332 ( 2.372 1.698 0.022) 2.917 3.430 ( 0.438 1.856 1.057) 2.180 3.530 ( -0.121 7.790 -3.015) 8.354 3.613 ( -2.208 -4.714 -5.243) 7.388 3.821 ( 5.612 0.910 -2.921) 6.391 3.830 ( -1.415 -0.883 1.026) 1.959 3.935 ( 0.080 -0.739 -2.048) 2.178 3.989 ( -1.348 -3.905 2.826) 5.005 4.170 ( -3.908 0.719 1.223) 4.158 4.273 ( 0.837 1.296 0.344) 1.581 4.348 ( 3.219 -3.870 0.606) 5.070 4.415 ( 0.710 -0.015 2.791) 2.880 4.461 ( -3.043 2.993 0.573) 4.307 4.568 ( -1.450 3.508 3.564) 5.207 4.676 ( 2.179 -1.645 -3.967) 4.816 5.082 ( 1.242 -2.416 -0.471) 2.757 5.101 ( 2.099 -1.560 1.066) 2.825 5.124 ( -0.218 -1.807 -2.215) 2.867 5.356 ( -1.564 -2.275 1.670) 3.226 5.509 ( 0.783 -1.974 -0.721) 2.243 5.623 ( -4.594 2.006 -1.821) 5.333 5.838 ( -1.952 -4.600 0.206) 5.001 6.062 ( -1.462 4.731 -1.517) 5.179 6.593 ( 1.414 -0.124 2.104) 2.538 6.699 ( 0.759 -1.590 -4.036) 4.404 6.800 ( -2.941 -2.432 2.884) 4.783 6.820 ( 1.776 1.649 -1.412) 2.805 6.952 ( 0.274 -1.015 -1.545) 1.869 6.992 ( -5.543 2.788 -0.227) 6.209 7.048 ( 2.155 1.438 0.126) 2.594 7.475 ( -9.432 7.924 0.662) 12.336 7.808 ( 5.844 -1.683 8.733) 10.642 8.131 ( -0.893 -2.908 -3.868) 4.921 8.289 ( 2.571 -0.971 0.341) 2.769 8.444 ( 3.027 0.799 -3.846) 4.959 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -12.209 10.608 6.439) 17.408 0.920 ( 5.115 3.029 -3.192) 6.748 1.044 ( 2.745 6.070 -4.311) 7.935 1.099 ( 8.784 7.122 3.606) 11.870 1.213 ( 6.825 0.629 -7.054) 9.835 1.315 ( 1.975 3.846 -2.844) 5.175 1.458 ( -0.064 -5.103 4.948) 7.108 1.488 ( -4.617 -1.397 -3.588) 6.011 1.593 ( -2.788 0.474 3.462) 4.470 1.748 ( -3.472 -0.959 -1.598) 3.940 1.841 ( 3.352 4.738 3.823) 6.950 1.993 ( -5.230 -4.060 -2.960) 7.252 2.096 ( 0.567 -1.425 0.206) 1.547 2.151 ( -1.767 0.410 1.668) 2.464 2.298 ( -1.077 -2.678 -5.373) 6.099 2.440 ( -1.658 -4.721 2.062) 5.412 2.472 ( -2.027 -5.688 3.023) 6.753 2.585 ( -0.507 -1.894 4.357) 4.778 2.704 ( 0.072 -1.184 -0.980) 1.538 2.859 ( 1.435 -5.278 -1.232) 5.607 2.874 ( 1.335 -2.283 1.851) 3.228 3.006 ( 1.876 -1.410 -0.770) 2.470 3.097 ( 3.942 -5.944 2.901) 7.700 3.170 ( 1.777 4.538 -7.358) 8.826 3.231 ( 0.183 -5.425 0.939) 5.509 3.334 ( 0.231 2.829 -0.827) 2.957 3.445 ( 3.208 1.594 2.828) 4.564 3.495 ( -1.235 1.903 -1.723) 2.849 3.561 ( 0.537 2.378 -1.775) 3.015 3.792 ( -0.808 3.470 -3.387) 4.915 3.825 ( -3.547 -3.522 -1.012) 5.100 3.916 ( -0.415 3.578 0.492) 3.636 4.013 ( -0.774 1.381 3.249) 3.614 4.194 ( 1.156 0.440 5.870) 5.999 4.259 ( -1.834 0.255 -3.824) 4.249 4.357 ( 0.306 0.640 -1.253) 1.440 4.400 ( -1.520 3.836 -0.055) 4.127 4.492 ( 1.630 -1.641 2.777) 3.614 4.590 ( -2.116 3.185 3.140) 4.948 4.671 ( 2.959 -2.091 -4.399) 5.699 5.069 ( 0.914 -3.928 -2.480) 4.734 5.118 ( 0.444 -1.132 0.804) 1.457 5.165 ( 2.223 -0.584 1.853) 2.952 5.343 ( -1.634 -0.844 2.270) 2.921 5.513 ( 0.128 -2.002 -2.524) 3.224 5.551 ( -3.376 5.390 2.907) 6.993 5.826 ( 0.745 -1.552 -0.564) 1.812 5.990 ( -4.271 6.496 -2.469) 8.157 6.624 ( 1.329 -2.633 -0.558) 3.001 6.686 ( 0.458 -0.929 -1.598) 1.904 6.777 ( -0.410 0.539 1.397) 1.553 6.847 ( -1.922 -0.257 2.149) 2.894 6.896 ( 0.059 1.366 -1.021) 1.706 6.994 ( 1.767 2.642 -0.136) 3.181 7.077 ( 1.331 2.847 -0.074) 3.144 7.325 ( -8.815 8.565 0.092) 12.291 7.949 ( 1.710 -4.664 5.035) 7.073 8.074 ( -0.277 -4.754 -4.206) 6.354 8.344 ( 3.072 -3.286 0.800) 4.569 8.446 ( 0.894 -0.872 -1.567) 2.004 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -8.197 8.219 7.040) 13.576 0.958 ( 5.122 4.132 -8.124) 10.455 1.049 ( 5.205 5.798 -2.011) 8.047 1.218 ( 1.079 1.830 -6.288) 6.637 1.292 ( 1.305 0.155 3.032) 3.304 1.311 ( 4.497 -0.155 0.409) 4.518 1.383 ( -0.018 2.113 1.440) 2.557 1.474 ( -7.657 7.049 2.903) 10.805 1.547 ( -1.684 -5.017 -3.126) 6.146 1.702 ( 0.247 -3.138 0.105) 3.149 1.916 ( 3.267 2.840 -0.598) 4.370 1.973 ( -0.898 -0.054 5.164) 5.242 2.046 ( 1.501 3.506 -1.317) 4.035 2.199 ( -2.999 -1.865 -6.081) 7.032 2.247 ( 1.759 -7.610 2.074) 8.081 2.342 ( -2.573 -3.575 -5.075) 6.719 2.486 ( -0.705 -1.774 -1.346) 2.336 2.635 ( -3.321 -4.060 9.726) 11.050 2.690 ( -1.450 -2.470 0.534) 2.913 2.830 ( -2.058 -4.514 -2.377) 5.501 2.853 ( 2.117 -3.198 -7.354) 8.294 3.074 ( 1.497 -6.374 1.443) 6.705 3.103 ( 4.076 1.824 -3.658) 5.772 3.212 ( 4.706 -10.989 3.172) 12.369 3.238 ( -0.306 -5.494 -1.322) 5.659 3.365 ( 0.076 -0.233 2.781) 2.792 3.451 ( -1.767 0.034 -2.499) 3.061 3.508 ( -1.211 -1.598 2.031) 2.854 3.605 ( 3.527 8.402 4.384) 10.112 3.742 ( -0.774 -1.272 -2.377) 2.805 3.765 ( -0.298 1.728 -0.484) 1.819 3.936 ( 1.186 8.732 2.459) 9.149 4.033 ( -2.226 2.671 4.346) 5.566 4.138 ( -3.523 -0.846 -8.082) 8.857 4.276 ( 1.348 1.477 4.255) 4.701 4.358 ( 0.768 2.072 -0.747) 2.333 4.386 ( -0.723 2.411 0.287) 2.533 4.518 ( 0.214 0.058 -0.826) 0.855 4.551 ( -4.302 3.097 -0.082) 5.301 4.675 ( 2.935 -3.350 -4.110) 6.060 5.081 ( 1.655 -3.056 0.303) 3.488 5.153 ( 0.515 -2.382 4.513) 5.129 5.197 ( 0.591 -0.182 -0.788) 1.002 5.363 ( 0.531 2.222 2.820) 3.630 5.477 ( -1.748 2.831 -0.398) 3.351 5.553 ( -1.867 2.144 4.147) 5.028 5.839 ( 0.714 3.694 -2.257) 4.388 5.895 ( -1.097 3.655 -3.022) 4.868 6.633 ( 0.858 -3.452 -1.377) 3.814 6.668 ( 0.464 -0.753 -1.778) 1.986 6.817 ( 0.757 0.310 3.615) 3.707 6.835 ( -1.922 -0.246 4.313) 4.728 6.915 ( 1.458 5.924 -0.123) 6.102 7.016 ( 0.691 1.320 -0.385) 1.539 7.098 ( 2.556 4.428 -1.045) 5.219 7.196 ( -6.288 6.567 -0.545) 9.108 7.974 ( -2.214 -5.398 0.769) 5.885 8.044 ( 1.933 -5.795 -3.381) 6.982 8.394 ( 1.109 -3.969 1.248) 4.306 8.442 ( 0.390 -2.982 -0.704) 3.089 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -5.215 8.629 7.412) 12.513 0.953 ( 4.545 1.353 -5.464) 7.235 1.077 ( -6.881 0.444 -4.302) 8.127 1.142 ( 0.593 2.030 -0.306) 2.137 1.225 ( -2.288 0.657 -8.114) 8.456 1.304 ( -2.689 6.476 -0.125) 7.013 1.403 ( 2.097 -6.712 -7.159) 10.035 1.535 ( 2.245 3.843 9.385) 10.386 1.572 ( 5.601 0.007 6.226) 8.375 1.712 ( -0.920 2.058 1.585) 2.756 1.937 ( -0.708 3.764 -1.535) 4.126 1.982 ( 1.274 5.323 1.421) 5.654 2.053 ( -1.932 -3.712 -6.720) 7.917 2.139 ( 0.044 0.159 -3.687) 3.691 2.219 ( 1.255 -2.158 3.734) 4.491 2.295 ( 1.112 -3.808 -3.523) 5.306 2.491 ( -1.227 -4.488 2.355) 5.215 2.585 ( -5.018 -3.466 -3.253) 6.912 2.689 ( -2.165 -3.330 4.297) 5.851 2.799 ( 0.671 -0.868 -5.355) 5.466 2.827 ( 1.341 -6.604 0.696) 6.774 3.102 ( 2.676 -4.752 -3.589) 6.529 3.115 ( -1.177 -1.415 1.473) 2.358 3.204 ( -1.360 -10.105 -0.701) 10.220 3.336 ( 0.763 -0.255 3.984) 4.064 3.366 ( 0.052 -3.236 -3.289) 4.615 3.430 ( 0.259 0.733 1.866) 2.022 3.461 ( -1.286 -6.490 1.562) 6.798 3.693 ( 0.219 6.356 4.931) 8.048 3.771 ( 2.646 -2.311 2.045) 4.065 3.801 ( 5.015 1.817 -0.371) 5.347 3.940 ( -3.880 3.927 -6.535) 8.554 4.009 ( -1.541 1.060 1.982) 2.725 4.070 ( 2.457 3.670 0.980) 4.524 4.332 ( 0.728 2.906 2.369) 3.819 4.352 ( -0.292 4.786 -1.966) 5.183 4.382 ( -0.357 3.407 1.722) 3.834 4.465 ( -4.391 1.362 -1.436) 4.817 4.487 ( -1.533 2.467 -2.445) 3.796 4.683 ( 3.260 -4.433 -3.452) 6.496 5.116 ( 1.191 -2.169 1.173) 2.738 5.171 ( -1.514 -0.526 -1.760) 2.380 5.224 ( -0.044 -2.884 6.850) 7.432 5.390 ( -2.081 3.352 2.597) 4.723 5.459 ( 0.038 2.434 1.040) 2.647 5.577 ( -0.383 2.338 3.692) 4.387 5.773 ( -0.781 -0.180 -5.074) 5.137 5.932 ( 5.797 6.202 -1.851) 8.689 6.613 ( -1.020 -0.506 -1.654) 2.008 6.678 ( 2.231 -3.168 -1.127) 4.035 6.850 ( -2.899 0.355 4.802) 5.620 6.887 ( 2.306 0.838 4.301) 4.952 6.933 ( -0.138 5.265 0.944) 5.351 7.000 ( -1.269 0.563 -0.972) 1.695 7.106 ( -2.877 4.265 -0.928) 5.227 7.158 ( 5.800 7.136 -1.800) 9.371 7.906 ( -5.211 -5.137 -1.431) 7.456 8.063 ( 3.690 -5.518 -2.127) 6.971 8.384 ( -2.987 -3.822 0.519) 4.878 8.468 ( 2.876 -4.075 0.245) 4.994 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -2.553 8.929 6.268) 11.204 0.854 ( -12.150 1.432 -3.538) 12.735 0.909 ( -6.999 -1.388 -10.220) 12.464 1.081 ( 3.561 0.552 -0.627) 3.657 1.158 ( -3.902 2.354 -0.690) 4.609 1.298 ( -1.349 1.433 -2.097) 2.876 1.407 ( 6.955 0.441 -1.432) 7.114 1.527 ( -7.110 7.360 -0.931) 10.275 1.725 ( 3.844 1.717 4.443) 6.121 1.794 ( 0.568 -3.934 2.566) 4.732 1.825 ( -3.730 5.106 -3.596) 7.274 2.002 ( 0.353 0.814 2.354) 2.515 2.010 ( 1.882 3.464 -1.581) 4.247 2.154 ( 5.813 -2.777 -2.354) 6.859 2.286 ( 4.891 -1.826 -0.273) 5.228 2.314 ( 2.626 -2.460 -0.573) 3.643 2.484 ( -5.030 -5.559 3.702) 8.361 2.504 ( 1.850 0.366 -0.982) 2.126 2.675 ( -4.396 -1.189 1.479) 4.788 2.764 ( 0.379 -2.241 -0.011) 2.273 2.870 ( 3.782 -5.963 -0.116) 7.062 3.060 ( -1.917 -1.998 -5.086) 5.791 3.092 ( -3.853 -0.588 0.854) 3.990 3.201 ( -0.438 -10.081 0.587) 10.108 3.299 ( -2.631 2.186 -0.023) 3.421 3.332 ( -2.817 -4.930 -2.879) 6.366 3.405 ( -0.227 0.614 2.917) 2.989 3.597 ( 4.689 -0.247 4.076) 6.218 3.705 ( -4.150 3.362 -0.288) 5.349 3.789 ( -0.753 0.357 -3.258) 3.363 3.821 ( 1.065 -3.443 -1.078) 3.762 3.919 ( 6.103 -1.768 1.652) 6.566 3.970 ( -2.020 1.479 -3.325) 4.162 4.177 ( 5.588 2.718 4.011) 7.396 4.285 ( -4.068 2.062 -0.102) 4.562 4.355 ( -1.519 0.639 -2.296) 2.826 4.402 ( -1.593 5.125 1.229) 5.506 4.415 ( 1.195 5.888 2.454) 6.490 4.430 ( -1.169 2.879 -2.374) 3.910 4.714 ( 3.845 -2.395 -1.871) 4.901 5.095 ( -3.837 -2.133 -0.929) 4.487 5.156 ( 0.126 -0.261 0.660) 0.721 5.282 ( -1.979 -3.693 6.241) 7.517 5.370 ( -1.518 0.309 1.225) 1.975 5.489 ( 1.080 3.316 1.532) 3.809 5.616 ( 1.176 0.210 1.807) 2.166 5.729 ( 2.355 -5.158 -5.508) 7.905 6.014 ( 5.885 7.677 -1.540) 9.795 6.574 ( -1.367 0.064 -1.510) 2.038 6.705 ( 1.574 -3.201 -0.411) 3.591 6.845 ( -1.939 1.699 2.902) 3.882 6.905 ( -3.445 0.030 0.654) 3.507 6.941 ( -0.439 5.629 -0.712) 5.691 7.020 ( 3.167 -1.707 3.633) 5.113 7.069 ( -0.639 2.576 -0.805) 2.774 7.256 ( 7.941 9.967 -1.708) 12.857 7.789 ( -7.055 -4.136 -0.267) 8.182 8.108 ( 3.830 -4.396 -1.553) 6.034 8.328 ( -3.671 -2.963 -0.076) 4.718 8.528 ( 3.340 -3.870 0.816) 5.176 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -5.378 6.498 -3.913) 9.298 0.629 ( -12.602 5.517 -0.210) 13.759 0.708 ( -5.588 6.610 5.231) 10.113 1.034 ( -6.704 2.024 -3.379) 7.775 1.123 ( -5.695 4.855 2.627) 7.931 1.278 ( -2.873 4.001 2.787) 5.659 1.332 ( -5.801 7.799 -3.628) 10.374 1.565 ( 9.096 -0.128 1.176) 9.173 1.666 ( -1.888 -3.519 -3.821) 5.527 1.763 ( 0.365 3.015 -9.719) 10.183 1.872 ( 5.131 0.525 4.987) 7.174 2.013 ( -4.473 1.003 4.625) 6.512 2.134 ( 4.879 -1.132 3.367) 6.035 2.181 ( 2.976 -3.845 0.475) 4.886 2.351 ( 1.614 -4.551 0.915) 4.915 2.445 ( 10.567 3.356 -2.751) 11.423 2.462 ( -0.496 -7.465 5.421) 9.239 2.575 ( 6.908 2.265 -0.881) 7.323 2.606 ( -2.975 -2.554 -0.637) 3.973 2.799 ( -0.480 0.403 4.731) 4.772 2.930 ( 2.105 0.806 -5.404) 5.855 2.975 ( -0.872 -4.271 -2.476) 5.013 3.007 ( -4.831 -4.350 2.582) 6.995 3.187 ( -2.757 -0.456 3.284) 4.312 3.239 ( -4.248 2.037 -1.518) 4.950 3.301 ( 0.066 -2.707 0.194) 2.715 3.401 ( -3.069 1.049 -0.155) 3.247 3.572 ( -5.892 2.996 -3.731) 7.590 3.645 ( -1.342 2.956 -0.683) 3.317 3.727 ( -6.214 1.613 -2.067) 6.744 3.845 ( 0.005 -5.778 -4.724) 7.463 3.907 ( 5.229 -4.096 -0.205) 6.646 4.051 ( 4.344 -1.786 1.707) 4.998 4.228 ( -3.379 2.036 0.762) 4.018 4.291 ( -2.868 1.385 1.486) 3.514 4.300 ( 2.576 1.637 1.537) 3.417 4.363 ( -0.507 2.793 -2.096) 3.529 4.418 ( 0.373 1.321 3.097) 3.388 4.506 ( 5.259 4.970 0.720) 7.271 4.752 ( 1.907 0.633 -1.081) 2.282 5.021 ( -3.406 -2.698 -0.510) 4.375 5.144 ( -2.033 -1.622 -0.040) 2.601 5.291 ( -3.774 -4.253 4.534) 7.273 5.376 ( 2.017 -1.286 -1.770) 2.976 5.515 ( 0.312 3.383 0.258) 3.407 5.630 ( 0.013 -4.794 -1.158) 4.932 5.749 ( 5.757 -5.418 -2.441) 8.274 6.076 ( 3.000 5.447 -1.087) 6.313 6.540 ( -1.226 0.137 -0.791) 1.465 6.711 ( -0.490 -2.519 0.368) 2.592 6.838 ( -1.882 0.393 -0.413) 1.966 6.878 ( -1.228 0.318 1.230) 1.767 6.930 ( 2.586 5.298 0.397) 5.909 7.049 ( -1.716 1.101 0.186) 2.047 7.096 ( 3.043 -1.776 -1.658) 3.894 7.383 ( 8.658 12.692 0.685) 15.379 7.694 ( -6.609 -3.173 4.334) 8.516 8.149 ( 3.003 -2.809 -1.451) 4.361 8.270 ( -3.070 -0.721 -0.035) 3.154 8.582 ( 3.165 -2.962 -1.667) 4.644 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -3.651 11.461 6.038) 13.459 0.482 ( -6.739 14.332 6.736) 17.210 0.802 ( -2.852 8.820 14.898) 17.547 0.883 ( -8.720 11.014 1.704) 14.151 1.049 ( -3.722 9.426 3.051) 10.584 1.131 ( -4.391 -0.432 3.276) 5.496 1.427 ( 6.213 2.299 -2.639) 7.131 1.619 ( -0.114 -8.244 4.194) 9.251 1.689 ( 4.313 -1.552 -4.453) 6.390 1.730 ( 0.853 -1.487 4.729) 5.030 1.962 ( -1.015 4.763 -2.063) 5.289 2.021 ( 6.205 -2.393 2.914) 7.261 2.149 ( -0.044 -7.329 -1.490) 7.479 2.338 ( 1.624 1.259 4.442) 4.895 2.345 ( 2.488 -5.682 4.034) 7.399 2.486 ( 2.783 1.388 -5.852) 6.627 2.498 ( -1.304 -0.811 -1.650) 2.254 2.591 ( 0.643 -4.452 -3.519) 5.711 2.767 ( 10.459 -1.099 6.544) 12.387 2.794 ( -2.743 -0.070 -0.902) 2.888 2.857 ( -5.617 -2.358 -1.212) 6.211 2.934 ( 0.341 -0.899 1.872) 2.104 3.044 ( -0.127 0.306 3.102) 3.119 3.109 ( -5.593 2.161 -4.610) 7.563 3.213 ( -1.664 7.409 6.378) 9.916 3.290 ( -1.672 -2.060 -2.622) 3.730 3.334 ( -1.581 4.775 0.695) 5.078 3.469 ( -2.983 -0.938 -0.352) 3.147 3.552 ( -3.242 -0.411 -1.799) 3.730 3.626 ( -3.832 4.325 0.877) 5.845 3.828 ( -0.328 -3.500 1.991) 4.040 3.970 ( 2.304 -1.026 -0.691) 2.615 4.085 ( -0.835 -3.570 -2.217) 4.285 4.182 ( -1.974 1.373 -0.863) 2.555 4.239 ( -2.999 3.110 2.204) 4.850 4.367 ( 2.531 -3.746 -1.722) 4.838 4.385 ( 5.671 3.005 1.339) 6.556 4.500 ( 3.215 -0.402 4.889) 5.865 4.553 ( 0.063 -1.181 -2.087) 2.399 4.723 ( -4.359 1.661 -2.091) 5.112 4.983 ( -1.165 -2.167 0.162) 2.465 5.107 ( -0.858 -1.124 -0.229) 1.432 5.265 ( -3.619 -3.815 2.278) 5.731 5.351 ( 0.937 3.105 -9.490) 10.029 5.503 ( 0.126 0.110 0.663) 0.684 5.642 ( 0.104 -4.623 3.520) 5.811 5.847 ( 7.527 -5.089 -0.675) 9.111 6.079 ( -1.508 0.879 -0.754) 1.902 6.520 ( -0.793 0.198 0.242) 0.852 6.721 ( 0.174 -3.894 2.859) 4.833 6.813 ( -0.037 1.829 -0.719) 1.966 6.845 ( -1.410 2.626 -1.388) 3.288 7.003 ( -3.652 -1.971 -0.195) 4.154 7.058 ( 5.065 -1.624 3.024) 6.119 7.088 ( 5.547 2.705 -5.492) 8.261 7.561 ( 8.401 8.868 2.018) 12.381 7.649 ( -7.324 -2.648 8.194) 11.305 8.174 ( 2.192 -0.928 -1.803) 2.986 8.234 ( -1.078 2.368 0.253) 2.614 8.554 ( 0.543 2.960 -11.510) 11.897 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 3.075 8.172 7.180) 11.305 0.789 ( -0.973 9.760 6.719) 11.889 0.940 ( 1.425 -2.338 5.132) 5.817 1.022 ( 5.457 5.097 0.876) 7.519 1.147 ( -1.028 0.441 -6.322) 6.420 1.340 ( 0.870 7.693 9.312) 12.110 1.513 ( 1.179 0.785 -7.775) 7.903 1.579 ( 2.160 -0.009 -2.165) 3.058 1.631 ( -5.318 10.638 12.177) 17.021 1.786 ( 0.313 -2.882 5.334) 6.071 1.918 ( -4.429 -5.845 0.835) 7.380 1.979 ( -2.709 1.743 -4.306) 5.378 2.054 ( 2.839 -3.343 -3.300) 5.489 2.255 ( -4.211 -3.020 7.972) 9.508 2.308 ( 0.809 -4.012 -7.787) 8.797 2.330 ( -0.608 -2.179 -1.776) 2.876 2.506 ( -0.734 -2.376 -4.407) 5.060 2.618 ( -1.101 -2.014 0.474) 2.344 2.726 ( -0.242 3.940 4.159) 5.734 2.772 ( -1.669 1.570 3.521) 4.201 2.975 ( 5.371 -0.464 4.568) 7.066 3.043 ( 2.186 3.439 -4.209) 5.859 3.162 ( 2.527 5.943 -0.210) 6.462 3.169 ( 3.995 2.883 3.570) 6.084 3.281 ( -5.692 6.304 -1.048) 8.558 3.345 ( 1.070 3.159 5.128) 6.118 3.437 ( -6.529 6.310 2.102) 9.320 3.496 ( 6.715 3.187 -1.224) 7.533 3.532 ( 0.254 2.944 0.160) 2.960 3.698 ( 1.090 1.710 5.438) 5.804 3.827 ( 0.050 -3.370 1.853) 3.846 3.931 ( -3.849 -4.531 -1.214) 6.067 3.994 ( 4.979 -3.397 -0.529) 6.050 4.112 ( -0.321 -2.502 -3.103) 3.999 4.239 ( -4.716 -0.612 -6.156) 7.779 4.248 ( 0.957 -4.089 -2.593) 4.936 4.391 ( 0.051 -2.140 1.483) 2.604 4.510 ( -1.286 0.156 1.035) 1.658 4.535 ( 2.263 -3.931 1.817) 4.886 4.644 ( -2.081 -1.565 -0.669) 2.689 4.986 ( 0.280 0.458 2.469) 2.527 5.076 ( -1.237 -1.908 -0.897) 2.444 5.202 ( 0.170 2.572 -2.405) 3.525 5.338 ( 1.714 0.151 -5.657) 5.912 5.506 ( 0.159 -2.101 0.875) 2.282 5.570 ( 0.424 -6.258 1.897) 6.553 5.884 ( 4.316 -3.045 0.836) 5.348 5.948 ( -4.275 -4.255 0.619) 6.064 6.539 ( 0.350 1.395 0.769) 1.631 6.679 ( 0.902 -3.940 1.893) 4.463 6.821 ( -0.742 1.638 -3.830) 4.231 6.907 ( -1.146 4.604 0.067) 4.744 6.970 ( 1.439 -0.049 -1.085) 1.803 6.993 ( -0.478 1.206 -1.972) 2.360 7.236 ( 5.225 -3.479 2.199) 6.651 7.370 ( -6.474 -5.089 -2.362) 8.567 7.861 ( -0.840 7.890 5.616) 9.721 8.173 ( 0.758 -1.616 -0.517) 1.858 8.336 ( 0.081 5.219 0.484) 5.242 8.525 ( 0.971 0.957 -7.189) 7.317 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.510 5.428 6.847) 9.091 0.932 ( 3.738 6.276 6.858) 10.020 1.007 ( 5.023 3.542 -0.542) 6.170 1.092 ( 6.446 3.197 -6.138) 9.457 1.168 ( 1.057 -2.634 7.040) 7.590 1.339 ( -12.813 1.921 3.378) 13.389 1.458 ( 2.608 -0.295 -5.139) 5.770 1.580 ( -0.166 6.271 0.605) 6.302 1.694 ( -1.125 9.463 5.401) 10.953 1.733 ( -1.243 1.288 -1.713) 2.477 1.833 ( -5.287 -5.577 -1.224) 7.781 1.907 ( -1.973 0.287 1.012) 2.236 2.146 ( 5.760 -4.652 3.696) 8.275 2.274 ( 4.551 -5.913 -7.096) 10.297 2.306 ( 0.180 -3.094 5.618) 6.416 2.334 ( -1.509 -3.338 -3.556) 5.105 2.461 ( -1.822 -0.668 3.582) 4.074 2.592 ( -5.508 0.831 0.713) 5.616 2.679 ( -4.583 -0.124 4.293) 6.281 2.720 ( -6.874 4.952 0.390) 8.481 2.954 ( -1.559 2.517 -6.200) 6.871 3.086 ( -0.488 -1.842 1.054) 2.178 3.102 ( -7.482 5.654 -0.735) 9.407 3.236 ( 5.715 6.078 -4.592) 9.523 3.282 ( -2.595 1.520 5.433) 6.210 3.358 ( -0.831 0.619 -0.622) 1.208 3.423 ( -1.682 8.121 10.480) 13.364 3.568 ( 3.896 0.475 -1.147) 4.089 3.652 ( 9.142 5.920 -0.967) 10.935 3.760 ( -2.210 -3.252 -0.080) 3.933 3.823 ( 2.962 -0.152 1.717) 3.427 3.874 ( -2.686 -4.938 1.742) 5.885 4.029 ( -2.029 -1.628 -4.026) 4.793 4.120 ( 0.522 -2.127 -1.497) 2.653 4.156 ( 7.492 -1.017 -0.231) 7.564 4.234 ( 0.376 -6.704 -2.450) 7.148 4.409 ( 0.720 0.208 0.914) 1.182 4.492 ( -1.370 0.696 1.684) 2.280 4.585 ( 1.850 -4.338 -0.541) 4.747 4.642 ( 1.408 -2.025 -0.650) 2.550 5.014 ( -0.043 -0.528 2.901) 2.949 5.051 ( -0.418 0.013 -0.768) 0.874 5.172 ( -0.055 3.140 -3.218) 4.497 5.322 ( 2.415 -0.785 -3.211) 4.093 5.477 ( -2.219 -3.146 -1.456) 4.116 5.617 ( 1.601 -5.592 1.573) 6.025 5.838 ( -4.991 -0.680 1.244) 5.188 6.025 ( 6.764 -3.787 0.072) 7.752 6.565 ( 0.850 1.288 1.847) 2.407 6.698 ( -0.019 -3.223 -0.970) 3.366 6.781 ( -0.227 1.322 -1.045) 1.701 6.868 ( -1.289 2.630 -1.035) 3.107 6.951 ( -0.490 -1.636 -2.807) 3.286 7.041 ( 5.037 4.291 -0.056) 6.618 7.145 ( -8.941 -1.659 -0.888) 9.137 7.450 ( 9.432 -5.197 1.052) 10.820 7.857 ( -7.132 8.428 6.303) 12.713 8.146 ( -2.747 -2.109 -1.703) 3.859 8.318 ( -2.264 3.906 0.213) 4.520 8.472 ( 0.971 0.704 -4.783) 4.931 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -2.210 3.322 5.524) 6.814 1.024 ( 1.926 4.434 1.448) 5.047 1.116 ( 7.535 7.472 -0.225) 10.614 1.131 ( -2.705 7.561 1.541) 8.177 1.187 ( 2.661 -0.506 -4.152) 4.958 1.240 ( 3.846 -3.262 2.020) 5.432 1.383 ( -0.900 0.136 -4.726) 4.813 1.599 ( -2.598 5.924 -2.986) 7.125 1.669 ( -3.479 1.359 3.099) 4.853 1.731 ( 0.129 -0.371 -0.883) 0.967 1.840 ( 4.396 0.698 6.460) 7.845 1.935 ( -0.820 -1.477 3.803) 4.161 2.157 ( -8.532 -3.776 -8.817) 12.837 2.225 ( -0.844 -2.386 -1.599) 2.994 2.263 ( 0.738 -4.364 0.849) 4.506 2.334 ( -1.555 -1.928 -0.066) 2.478 2.473 ( 0.532 1.178 -0.702) 1.471 2.529 ( -8.212 -1.070 5.927) 10.184 2.622 ( -0.116 0.208 3.490) 3.498 2.748 ( -0.335 -1.673 7.153) 7.354 2.866 ( -0.418 -2.563 -5.937) 6.480 2.969 ( -6.091 6.108 1.479) 8.752 3.083 ( -0.469 -4.704 -1.217) 4.881 3.206 ( -7.466 1.094 1.380) 7.671 3.225 ( 0.481 -2.844 -6.284) 6.915 3.366 ( -1.892 -2.826 -1.620) 3.767 3.471 ( -0.739 6.032 -0.601) 6.107 3.595 ( 0.378 4.031 3.656) 5.455 3.680 ( 1.386 6.367 -2.202) 6.878 3.812 ( 0.547 1.567 1.816) 2.460 3.837 ( 2.034 -1.139 -1.122) 2.587 3.916 ( 1.020 -0.766 0.622) 1.419 3.989 ( 4.972 3.046 -0.516) 5.854 4.118 ( -0.140 -4.792 0.692) 4.844 4.246 ( 2.355 -2.641 0.091) 3.539 4.304 ( 6.686 -2.474 2.657) 7.608 4.424 ( 1.499 0.787 -1.975) 2.601 4.483 ( -2.685 -2.135 0.857) 3.535 4.595 ( 0.661 -0.238 0.164) 0.722 4.657 ( 0.442 -0.616 0.574) 0.951 5.028 ( 0.886 -0.756 -2.544) 2.798 5.069 ( 1.112 -1.443 3.751) 4.170 5.141 ( -0.056 2.763 -2.101) 3.472 5.342 ( 2.396 0.705 -0.791) 2.620 5.427 ( -0.141 -5.093 -3.601) 6.239 5.635 ( -0.867 -2.266 0.857) 2.573 5.808 ( -0.097 2.504 1.537) 2.940 6.110 ( 3.163 -0.443 -0.384) 3.217 6.597 ( 0.566 0.645 1.180) 1.459 6.673 ( 0.323 -1.190 -2.327) 2.634 6.777 ( -0.989 -0.004 0.933) 1.360 6.854 ( 1.398 1.054 -2.495) 3.048 6.901 ( -2.047 -1.408 -1.101) 2.717 7.049 ( -1.694 0.819 0.341) 1.912 7.122 ( 4.276 6.281 -0.090) 7.598 7.572 ( 1.969 -0.509 0.506) 2.095 7.800 ( -5.908 2.321 6.190) 8.866 8.056 ( -4.537 -4.262 -2.893) 6.864 8.288 ( -1.248 1.162 0.159) 1.713 8.443 ( -0.694 -1.147 -1.747) 2.202 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -10.002 7.438 3.318) 12.899 1.043 ( 2.703 7.851 -2.046) 8.551 1.151 ( 2.626 2.117 1.388) 3.647 1.201 ( 5.687 2.813 -4.698) 7.895 1.264 ( 5.214 3.489 -2.813) 6.875 1.333 ( 3.994 -1.422 -4.463) 6.156 1.397 ( 5.021 -0.335 4.737) 6.911 1.486 ( -1.293 1.472 -5.655) 5.985 1.623 ( -4.659 3.024 4.014) 6.853 1.745 ( -2.673 1.453 -2.006) 3.644 1.907 ( -3.451 -4.473 -2.704) 6.263 1.914 ( -3.687 -0.884 1.758) 4.179 2.021 ( 2.176 0.538 6.578) 6.950 2.182 ( -2.082 -2.689 -0.145) 3.404 2.238 ( -2.819 -0.217 -4.335) 5.175 2.360 ( -0.556 -2.780 7.187) 7.726 2.402 ( -4.606 -2.073 -1.117) 5.173 2.550 ( 4.385 -3.215 1.344) 5.601 2.635 ( -3.522 -0.786 0.521) 3.646 2.788 ( 0.941 -5.115 -5.781) 7.776 2.801 ( -3.671 -4.169 6.613) 8.637 2.955 ( 0.760 0.111 -1.311) 1.519 3.041 ( -2.757 -6.878 -1.468) 7.554 3.112 ( -4.289 -0.144 -0.223) 4.297 3.159 ( -0.356 -9.584 -4.703) 10.682 3.265 ( -4.249 -4.651 -0.264) 6.305 3.460 ( 0.810 3.067 -2.983) 4.354 3.645 ( -0.237 9.539 2.804) 9.945 3.685 ( 3.192 7.179 -0.947) 7.913 3.788 ( -1.892 1.005 -3.638) 4.222 3.858 ( 1.487 3.823 0.612) 4.148 3.943 ( -0.201 -1.026 3.775) 3.917 4.093 ( 4.830 3.581 0.691) 6.052 4.162 ( 1.538 -2.201 1.852) 3.261 4.272 ( 1.311 1.095 0.274) 1.730 4.386 ( -0.309 -0.684 -0.148) 0.765 4.422 ( 1.316 -2.554 -2.360) 3.718 4.443 ( -0.085 -0.588 0.287) 0.660 4.613 ( -1.158 -0.200 2.902) 3.131 4.670 ( -0.118 1.356 1.053) 1.721 5.024 ( 1.758 -0.249 -2.005) 2.678 5.090 ( -1.143 -1.382 1.216) 2.167 5.164 ( 2.726 0.656 0.990) 2.974 5.376 ( 1.751 2.844 0.135) 3.342 5.407 ( 2.673 -6.625 -3.020) 7.756 5.618 ( -2.276 0.219 0.986) 2.490 5.863 ( 4.581 5.866 1.270) 7.551 6.112 ( -2.130 4.476 -0.751) 5.013 6.598 ( 0.210 0.040 -1.329) 1.346 6.670 ( 0.710 -0.934 -1.280) 1.736 6.774 ( -0.377 -0.264 2.061) 2.112 6.825 ( -2.080 -1.652 0.567) 2.716 6.926 ( 4.215 2.348 -0.024) 4.825 7.059 ( 1.255 2.051 0.349) 2.430 7.179 ( 3.010 7.632 -0.311) 8.210 7.504 ( -8.078 8.660 -0.219) 11.845 7.818 ( -0.091 -8.334 3.437) 9.016 7.952 ( -3.699 -6.999 -3.126) 8.511 8.284 ( 0.486 -2.171 0.189) 2.233 8.406 ( -2.250 -3.158 -0.613) 3.925 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -6.654 8.948 3.978) 11.839 1.060 ( 2.899 5.334 -8.663) 10.578 1.158 ( 1.802 2.322 -1.722) 3.407 1.230 ( 5.064 -3.844 -7.052) 9.495 1.238 ( -2.299 -0.141 -5.992) 6.420 1.335 ( 3.507 0.543 -3.466) 4.961 1.440 ( -4.177 5.302 1.261) 6.867 1.522 ( 2.740 1.431 0.641) 3.157 1.609 ( -1.713 3.849 -1.118) 4.359 1.675 ( 1.084 3.361 7.574) 8.357 1.896 ( 5.185 -2.868 1.495) 6.111 1.970 ( 1.180 -4.293 4.567) 6.378 2.085 ( -1.661 1.137 -0.769) 2.155 2.125 ( -6.534 -2.872 3.521) 7.959 2.163 ( -1.048 -1.105 0.645) 1.654 2.293 ( -3.295 -1.810 -4.001) 5.490 2.449 ( 2.002 -0.879 3.215) 3.888 2.571 ( -5.598 -1.967 2.821) 6.570 2.610 ( 2.602 -3.852 -1.971) 5.049 2.745 ( -2.727 -4.943 0.477) 5.665 2.816 ( 2.175 -2.854 -2.183) 4.200 2.908 ( 0.480 -5.712 -5.669) 8.062 2.991 ( -0.235 -8.617 -1.204) 8.704 3.090 ( -0.107 -2.292 -0.105) 2.297 3.120 ( 0.810 -12.388 -1.661) 12.525 3.232 ( -2.420 -6.493 2.943) 7.528 3.439 ( 1.358 1.822 -3.503) 4.176 3.617 ( -2.574 6.094 -3.892) 7.675 3.733 ( 1.769 3.259 -0.053) 3.709 3.788 ( 2.465 9.323 4.437) 10.615 3.869 ( 0.225 5.804 -0.427) 5.824 3.986 ( -0.936 -1.309 4.696) 4.964 4.110 ( -0.780 -1.055 -5.682) 5.831 4.150 ( -0.617 4.792 -1.444) 5.043 4.344 ( 1.861 4.627 4.995) 7.059 4.363 ( -0.801 -3.228 0.592) 3.378 4.412 ( 1.701 0.242 -1.611) 2.356 4.475 ( 1.659 -2.087 1.052) 2.866 4.593 ( -4.257 1.024 1.135) 4.524 4.670 ( -0.503 2.466 -0.305) 2.535 5.042 ( 1.617 -0.782 0.081) 1.798 5.112 ( 0.275 -1.552 4.093) 4.386 5.190 ( 0.228 -0.441 -1.247) 1.343 5.401 ( 1.442 -6.064 -0.096) 6.233 5.448 ( 3.748 2.848 -0.512) 4.735 5.586 ( -2.855 1.006 1.186) 3.251 5.969 ( 6.464 8.191 0.598) 10.451 6.031 ( -6.133 8.550 -0.937) 10.564 6.595 ( 0.976 -0.416 -0.841) 1.354 6.657 ( 0.252 -0.700 -2.113) 2.240 6.811 ( 0.310 -0.725 3.802) 3.883 6.823 ( -1.046 -0.784 4.059) 4.265 7.001 ( 4.163 3.389 -0.009) 5.368 7.066 ( -1.329 2.845 0.120) 3.143 7.231 ( 4.958 8.438 -1.160) 9.856 7.356 ( -8.213 8.746 -1.013) 12.040 7.829 ( -2.137 -8.832 0.793) 9.121 7.886 ( 0.597 -9.690 -2.965) 10.151 8.302 ( 1.158 -4.589 0.205) 4.737 8.360 ( -1.879 -4.880 -0.759) 5.284 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -2.215 7.838 2.953) 8.664 0.985 ( 0.780 1.936 -7.289) 7.582 1.095 ( -5.290 -1.875 -2.501) 6.144 1.129 ( -2.010 -4.240 -12.480) 13.333 1.221 ( -1.231 0.483 -6.855) 6.982 1.283 ( 4.371 -1.267 -5.554) 7.181 1.456 ( 3.812 6.745 0.382) 7.757 1.582 ( 3.299 1.389 6.300) 7.246 1.671 ( -0.310 9.015 9.697) 13.244 1.763 ( -0.466 2.409 2.086) 3.221 1.966 ( -4.921 -4.416 -2.604) 7.106 1.988 ( 2.099 0.207 2.108) 2.982 2.061 ( 6.967 -3.521 -4.073) 8.804 2.078 ( -5.746 0.497 3.885) 6.954 2.194 ( 1.493 -0.654 4.510) 4.796 2.238 ( -0.384 -1.018 1.118) 1.560 2.489 ( -0.660 0.231 -0.758) 1.031 2.528 ( -1.838 1.123 0.244) 2.168 2.615 ( -0.083 -3.618 1.791) 4.038 2.702 ( 1.275 -4.993 -1.940) 5.506 2.769 ( -0.046 -1.570 -9.769) 9.894 2.923 ( 2.814 -9.564 1.110) 10.031 2.967 ( -2.137 -10.885 -0.100) 11.093 3.088 ( -0.304 -3.716 -0.192) 3.733 3.182 ( 5.626 -10.621 2.817) 12.345 3.258 ( 2.917 -7.077 0.801) 7.696 3.441 ( 4.024 1.462 -4.046) 5.891 3.500 ( -4.394 3.728 -5.277) 7.814 3.793 ( 2.438 4.001 2.435) 5.280 3.827 ( -1.988 5.910 2.187) 6.608 3.889 ( 0.038 7.708 2.350) 8.058 3.985 ( -2.138 0.073 -3.166) 3.821 4.019 ( -2.239 0.620 -1.537) 2.786 4.129 ( 0.672 1.859 -1.212) 2.318 4.344 ( -1.952 -2.343 0.965) 3.198 4.410 ( 0.481 1.158 0.897) 1.542 4.443 ( 1.087 -1.173 1.086) 1.933 4.514 ( -2.653 3.508 -0.669) 4.448 4.530 ( -0.239 3.839 3.763) 5.381 4.653 ( 0.337 2.035 -1.056) 2.317 5.074 ( 1.016 -1.790 1.110) 2.338 5.149 ( -1.366 -2.101 -0.512) 2.558 5.173 ( -0.868 -1.235 4.229) 4.490 5.411 ( 0.286 -4.575 -1.024) 4.697 5.495 ( 1.121 2.633 0.520) 2.909 5.562 ( -0.641 -0.298 0.664) 0.969 5.904 ( -7.391 10.666 -0.681) 12.994 6.078 ( 5.609 7.452 0.094) 9.327 6.603 ( 0.164 -0.226 -0.548) 0.614 6.641 ( 0.968 -1.127 -1.840) 2.365 6.852 ( -1.596 0.126 4.843) 5.101 6.879 ( 2.078 -1.158 5.056) 5.587 7.000 ( -4.350 2.916 -0.074) 5.238 7.062 ( 1.107 3.668 -0.057) 3.831 7.223 ( -5.014 7.426 -1.546) 9.092 7.331 ( 8.250 9.287 -1.926) 12.570 7.768 ( -4.218 -8.261 -1.246) 9.359 7.909 ( 4.491 -9.651 -1.683) 10.777 8.294 ( -1.956 -4.612 -0.134) 5.011 8.366 ( 3.323 -5.786 -0.531) 6.693 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.537 4.826 -0.757) 5.121 0.877 ( -3.955 0.243 -10.548) 11.268 0.973 ( -2.315 7.579 -5.201) 9.479 1.033 ( 0.670 -5.456 -0.101) 5.497 1.122 ( -1.690 -3.646 -5.465) 6.784 1.331 ( 4.491 1.979 -1.307) 5.079 1.505 ( 2.115 6.582 0.947) 6.978 1.680 ( -2.300 7.462 3.989) 8.769 1.723 ( -3.565 -1.992 1.033) 4.212 1.776 ( 1.725 2.355 2.901) 4.116 1.876 ( -2.543 -0.377 -1.217) 2.844 2.011 ( -1.318 -1.859 6.690) 7.068 2.051 ( 1.856 0.356 -4.191) 4.597 2.086 ( 0.555 -1.488 -3.392) 3.745 2.277 ( 1.306 0.049 2.186) 2.547 2.315 ( 5.940 2.336 5.725) 8.575 2.420 ( -2.970 -0.410 -2.118) 3.671 2.541 ( 3.992 3.244 1.563) 5.376 2.605 ( -3.640 -5.145 -4.450) 7.715 2.705 ( 0.927 -4.143 2.110) 4.741 2.772 ( 7.101 -1.680 0.610) 7.322 2.954 ( 0.379 -9.174 -0.313) 9.187 2.972 ( 3.107 -5.601 -1.924) 6.688 3.078 ( 0.813 -3.819 -2.465) 4.618 3.279 ( 0.075 -2.096 -4.852) 5.286 3.304 ( 4.771 -5.063 0.799) 7.002 3.382 ( -0.330 0.682 -1.790) 1.944 3.533 ( 6.918 -4.850 1.771) 8.632 3.775 ( -2.011 0.785 -1.636) 2.709 3.820 ( -6.250 6.938 -1.790) 9.508 3.871 ( -1.702 6.218 3.646) 7.406 3.915 ( -3.185 0.732 -2.870) 4.349 4.004 ( 0.716 1.003 1.265) 1.766 4.156 ( 2.995 -3.388 -0.311) 4.533 4.311 ( -3.204 -2.145 1.309) 4.071 4.374 ( -4.157 3.913 0.907) 5.780 4.428 ( -1.181 -2.553 -0.305) 2.829 4.513 ( -3.489 4.409 -0.676) 5.663 4.542 ( 2.442 5.819 1.484) 6.483 4.700 ( 3.306 0.272 2.589) 4.208 5.055 ( -3.441 -1.391 -1.019) 3.849 5.130 ( -0.962 -2.314 0.696) 2.601 5.211 ( -0.464 -2.200 4.258) 4.815 5.386 ( -0.916 -0.134 -2.205) 2.392 5.504 ( -0.433 -3.255 1.179) 3.489 5.568 ( 0.816 -0.176 -1.297) 1.543 5.794 ( -5.000 9.074 0.186) 10.362 6.143 ( 1.857 4.266 -0.038) 4.652 6.580 ( -1.025 0.536 -1.324) 1.758 6.653 ( 1.475 -2.086 -0.816) 2.682 6.867 ( -1.783 1.034 3.402) 3.978 6.918 ( -3.986 1.369 -0.114) 4.216 6.983 ( 2.700 -1.689 4.049) 5.151 7.046 ( -2.187 3.119 -0.103) 3.810 7.159 ( -1.545 6.898 -1.153) 7.162 7.463 ( 9.699 10.203 -1.595) 14.167 7.679 ( -5.085 -6.758 -0.370) 8.466 7.982 ( 5.979 -8.083 -1.394) 10.150 8.269 ( -0.460 -2.333 -0.275) 2.394 8.432 ( 4.607 -5.464 0.100) 7.148 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -2.798 3.133 -4.214) 5.950 0.751 ( -1.592 5.723 0.152) 5.942 0.925 ( -0.680 7.090 -5.176) 8.805 0.971 ( -2.260 1.373 -0.370) 2.670 1.143 ( 1.901 -2.584 4.151) 5.246 1.392 ( 2.475 4.704 1.967) 5.667 1.546 ( -2.752 4.379 -7.971) 9.502 1.552 ( -3.679 -0.960 -2.459) 4.528 1.660 ( -3.767 9.472 4.966) 11.339 1.804 ( -0.065 1.078 -6.638) 6.725 1.863 ( 2.035 -0.283 0.701) 2.171 2.018 ( -2.590 -1.592 2.888) 4.194 2.030 ( -0.423 -5.146 2.413) 5.700 2.184 ( 2.860 -3.664 7.881) 9.150 2.296 ( 0.647 0.296 2.103) 2.220 2.385 ( 3.160 3.119 -0.147) 4.442 2.503 ( -1.023 -2.318 4.877) 5.496 2.517 ( 8.175 1.753 -5.291) 9.895 2.656 ( 4.498 1.010 1.736) 4.926 2.752 ( 0.365 -5.510 3.458) 6.515 2.904 ( 4.473 -1.602 0.786) 4.816 2.913 ( -0.326 -1.324 -6.718) 6.855 2.959 ( 3.665 1.483 -6.931) 7.980 3.094 ( 3.158 -6.018 -0.510) 6.815 3.234 ( 0.280 2.383 1.324) 2.740 3.339 ( 2.723 -0.123 -2.238) 3.527 3.420 ( 0.128 -1.552 1.106) 1.910 3.656 ( -3.099 -1.256 -2.027) 3.910 3.669 ( -1.431 3.993 0.242) 4.249 3.743 ( 0.489 -1.122 -1.175) 1.697 3.799 ( -5.315 2.089 -0.763) 5.761 3.870 ( -2.883 2.469 2.833) 4.736 4.018 ( -0.516 -1.532 -0.722) 1.771 4.195 ( 1.160 -6.020 -0.384) 6.143 4.287 ( -1.096 -0.972 1.950) 2.439 4.350 ( -2.641 4.907 3.723) 6.702 4.404 ( -1.305 -0.476 -1.052) 1.743 4.439 ( -1.851 1.099 -1.368) 2.550 4.576 ( 0.022 2.398 0.097) 2.400 4.765 ( -0.196 -1.171 2.712) 2.961 4.982 ( -3.100 -0.225 -0.902) 3.236 5.104 ( -2.233 -1.920 0.427) 2.976 5.242 ( -0.416 -0.486 1.718) 1.833 5.356 ( 1.530 -0.671 -3.053) 3.480 5.504 ( 0.240 -5.433 -1.379) 5.610 5.557 ( -1.043 0.191 0.437) 1.146 5.754 ( -0.402 4.497 0.580) 4.552 6.131 ( -3.274 -0.473 0.095) 3.309 6.552 ( -0.778 1.068 -0.931) 1.616 6.658 ( 0.192 -2.624 -0.824) 2.757 6.868 ( -1.284 2.655 0.280) 2.962 6.878 ( -0.584 0.517 1.692) 1.863 7.002 ( -0.339 0.066 -0.691) 0.773 7.066 ( 3.140 -0.871 -0.604) 3.314 7.112 ( -3.789 5.571 -0.104) 6.738 7.589 ( -0.918 -0.598 1.025) 1.500 7.626 ( 4.271 4.852 1.990) 6.764 8.067 ( 5.895 -5.317 -1.332) 8.049 8.276 ( 1.505 1.564 -0.054) 2.171 8.510 ( 4.737 -4.235 -0.529) 6.376 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.828 5.119 5.446) 7.520 0.787 ( -1.927 14.920 4.999) 15.853 0.868 ( 0.000 -6.718 3.350) 7.507 0.975 ( 0.457 7.889 -1.412) 8.028 1.204 ( 1.477 8.815 3.103) 9.462 1.317 ( -5.065 0.372 -6.981) 8.633 1.501 ( 5.705 4.895 -0.963) 7.579 1.540 ( -1.697 3.228 4.026) 5.433 1.644 ( -3.650 2.067 3.371) 5.382 1.728 ( -0.934 0.684 -1.612) 1.985 1.935 ( 4.059 -3.282 1.012) 5.317 1.999 ( -2.386 -5.745 0.600) 6.249 2.053 ( 0.648 -0.606 0.684) 1.120 2.251 ( -1.179 -0.368 2.609) 2.887 2.346 ( 0.032 -3.256 3.087) 4.487 2.458 ( -2.818 -2.017 -7.186) 7.978 2.516 ( 4.414 4.155 7.872) 9.936 2.595 ( 4.439 2.087 -7.217) 8.726 2.653 ( -1.975 -7.083 2.120) 7.652 2.785 ( -1.622 -2.367 -1.101) 3.073 2.837 ( 1.761 -1.020 3.338) 3.909 2.981 ( 8.739 5.439 -2.256) 10.537 3.055 ( 7.210 2.548 -0.012) 7.647 3.136 ( 2.697 0.887 -0.374) 2.864 3.287 ( 0.139 2.246 1.377) 2.638 3.367 ( -1.198 0.984 -0.372) 1.594 3.388 ( 2.338 3.834 1.534) 4.746 3.542 ( -6.717 5.807 2.367) 9.189 3.588 ( -4.812 5.619 -3.594) 8.225 3.726 ( -7.154 4.865 2.029) 8.886 3.783 ( 1.702 -2.119 1.676) 3.193 3.905 ( 4.876 -5.055 0.949) 7.087 3.992 ( -1.230 -5.080 -1.164) 5.355 4.170 ( -1.869 -5.928 -2.155) 6.578 4.283 ( -1.982 2.823 -1.502) 3.762 4.343 ( -3.007 2.677 0.032) 4.026 4.359 ( 1.482 -4.121 -0.093) 4.380 4.466 ( 1.881 -2.557 2.687) 4.159 4.545 ( -2.354 0.317 -0.894) 2.538 4.726 ( -5.865 -2.417 0.460) 6.360 4.959 ( 0.258 0.508 0.753) 0.945 5.089 ( -0.173 -1.588 0.247) 1.616 5.228 ( -1.092 1.209 -1.041) 1.933 5.362 ( 3.182 -1.213 -5.060) 6.099 5.486 ( 0.343 -2.533 -0.973) 2.735 5.558 ( -1.109 -3.169 2.646) 4.275 5.790 ( 4.110 -0.368 0.429) 4.148 6.048 ( -6.648 -3.817 0.538) 7.685 6.537 ( -0.274 1.286 -0.275) 1.343 6.654 ( 0.163 -3.075 0.464) 3.114 6.864 ( -0.088 2.276 -1.544) 2.752 6.884 ( 0.784 2.317 0.635) 2.527 7.000 ( 0.511 -1.342 -2.282) 2.697 7.038 ( -4.252 3.132 0.110) 5.282 7.116 ( 5.768 -0.298 -1.189) 5.897 7.514 ( -8.099 -6.943 1.835) 10.824 7.767 ( 5.680 8.727 3.695) 11.049 8.139 ( 4.002 -2.758 -0.777) 4.922 8.310 ( 2.187 4.773 0.139) 5.252 8.557 ( 3.247 -1.933 -3.991) 5.496 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 3.886 -0.006 12.767) 13.345 0.809 ( 0.478 -4.339 11.413) 12.220 0.983 ( -3.600 6.222 -0.698) 7.222 1.077 ( -3.079 -3.344 -2.225) 5.060 1.219 ( 5.707 10.536 -6.347) 13.560 1.413 ( 4.032 -7.964 -8.949) 12.640 1.478 ( -0.017 6.512 2.735) 7.063 1.602 ( 3.623 -4.446 -0.884) 5.803 1.721 ( -0.151 2.552 2.677) 3.701 1.779 ( -0.531 -0.807 1.882) 2.115 1.902 ( -0.615 2.034 3.800) 4.354 1.943 ( 2.550 -2.773 1.045) 3.909 2.119 ( -6.678 7.101 -1.718) 9.898 2.215 ( -6.386 -2.572 0.737) 6.924 2.282 ( -2.045 1.541 -1.773) 3.115 2.320 ( -0.608 -0.337 2.932) 3.013 2.444 ( -0.628 -0.826 -0.676) 1.238 2.520 ( -0.512 -6.196 -1.722) 6.451 2.815 ( -0.339 3.428 0.683) 3.512 2.833 ( 1.010 3.208 5.922) 6.811 2.993 ( 3.996 2.262 7.274) 8.602 3.051 ( 0.164 -2.506 1.399) 2.875 3.195 ( 2.528 1.577 -2.193) 3.700 3.233 ( 6.308 -0.755 -4.125) 7.575 3.383 ( -1.875 2.475 0.872) 3.225 3.390 ( 0.781 2.387 1.820) 3.102 3.568 ( 4.269 6.082 0.190) 7.433 3.618 ( 1.408 6.513 2.919) 7.275 3.635 ( -4.286 7.011 -0.557) 8.237 3.700 ( -2.081 -1.843 0.813) 2.896 3.769 ( -3.974 -2.921 -0.391) 4.947 3.827 ( -1.757 -5.343 1.952) 5.954 3.885 ( 2.915 -3.530 3.039) 5.495 3.978 ( 2.182 -8.689 -0.033) 8.959 4.248 ( -2.507 3.034 -6.023) 7.195 4.273 ( -0.565 2.484 -7.432) 7.857 4.378 ( -0.526 -0.363 1.391) 1.530 4.419 ( -1.197 -5.104 2.568) 5.838 4.539 ( 0.158 1.245 0.217) 1.274 4.584 ( -1.234 -3.331 -0.564) 3.597 5.003 ( -0.736 1.476 2.728) 3.188 5.040 ( -0.192 -1.879 1.136) 2.204 5.284 ( 3.338 4.547 -5.282) 7.728 5.335 ( 2.744 -0.386 -5.357) 6.031 5.449 ( 0.827 -2.734 0.311) 2.873 5.465 ( -2.001 -3.734 0.203) 4.241 5.848 ( 1.423 -0.274 1.821) 2.327 5.875 ( -3.265 -2.798 1.841) 4.678 6.571 ( 0.382 1.814 1.045) 2.128 6.614 ( 0.615 -2.621 1.371) 3.022 6.862 ( -0.294 2.495 -3.451) 4.269 6.917 ( 0.202 -2.945 -3.725) 4.753 7.007 ( -0.175 4.751 0.648) 4.798 7.059 ( 0.341 1.572 -0.303) 1.637 7.179 ( 1.320 -0.369 0.985) 1.688 7.256 ( -2.638 -5.960 -1.126) 6.614 8.008 ( 0.100 6.661 3.303) 7.436 8.117 ( 0.428 -4.189 1.107) 4.354 8.434 ( -0.069 4.424 -0.666) 4.474 8.504 ( 0.084 -2.532 -2.908) 3.857 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.115 2.619 5.825) 6.388 0.939 ( 1.383 -4.421 3.369) 5.728 1.033 ( 3.928 2.792 8.528) 9.796 1.092 ( 2.338 -3.362 6.352) 7.558 1.225 ( 4.733 6.922 -8.909) 12.235 1.331 ( -0.825 -3.504 -8.716) 9.430 1.510 ( -0.568 5.700 2.415) 6.216 1.635 ( 0.517 -5.778 0.682) 5.841 1.715 ( -1.583 4.428 -0.107) 4.703 1.778 ( -0.682 -1.395 0.991) 1.842 1.894 ( -4.780 5.265 -1.222) 7.215 1.928 ( -3.569 1.818 -3.418) 5.266 2.066 ( 4.230 -1.874 3.406) 5.745 2.142 ( 2.382 -6.932 -3.595) 8.164 2.297 ( -1.643 3.640 2.179) 4.549 2.353 ( -1.329 0.609 3.429) 3.728 2.451 ( -2.314 1.693 7.142) 7.697 2.543 ( -0.209 -5.014 5.039) 7.112 2.719 ( -7.135 3.029 -4.461) 8.943 2.763 ( -6.522 -0.791 -3.454) 7.423 3.042 ( -4.009 5.367 1.765) 6.928 3.059 ( -2.875 1.137 0.792) 3.191 3.216 ( -2.492 -1.778 -3.388) 4.566 3.229 ( -3.517 -2.356 0.147) 4.236 3.296 ( -5.899 4.646 1.365) 7.632 3.382 ( -4.783 -0.924 0.564) 4.904 3.577 ( -1.557 4.683 6.875) 8.463 3.630 ( -0.626 1.689 -2.479) 3.064 3.691 ( 4.289 1.699 3.645) 5.879 3.756 ( 0.941 -2.334 2.486) 3.537 3.769 ( 10.208 3.983 -1.523) 11.063 3.839 ( 1.414 -1.819 3.521) 4.208 3.970 ( 2.287 -2.413 1.950) 3.854 4.026 ( 0.623 -7.446 -0.553) 7.492 4.169 ( 3.613 4.067 -5.660) 7.850 4.214 ( 4.109 1.477 -7.781) 8.923 4.381 ( 0.315 -2.287 0.521) 2.366 4.409 ( -2.740 -5.898 2.740) 7.057 4.567 ( 2.846 1.172 -0.329) 3.095 4.596 ( 2.099 -1.985 -0.124) 2.891 5.023 ( -0.253 1.419 2.698) 3.059 5.052 ( -0.436 -0.745 1.103) 1.400 5.265 ( 0.453 4.934 -5.242) 7.213 5.321 ( 3.386 0.068 -5.457) 6.422 5.424 ( -1.616 -0.749 -0.408) 1.827 5.496 ( 2.875 -6.173 0.717) 6.847 5.857 ( -0.033 2.574 1.814) 3.149 5.934 ( 5.378 -4.832 1.318) 7.349 6.596 ( 0.602 1.923 1.719) 2.649 6.641 ( 0.410 -2.555 1.242) 2.871 6.821 ( 0.154 2.562 -3.548) 4.379 6.874 ( 0.372 -2.440 -4.672) 5.284 6.967 ( -3.210 3.805 0.440) 4.997 7.049 ( -3.037 -3.662 -0.295) 4.767 7.194 ( 3.843 6.508 0.319) 7.565 7.330 ( 7.783 -6.722 0.608) 10.302 7.996 ( -6.146 5.755 3.398) 9.079 8.089 ( -4.982 -3.710 0.443) 6.227 8.397 ( -3.185 3.778 -0.556) 4.972 8.457 ( -1.937 -2.083 -2.123) 3.549 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.698 2.612 7.253) 7.741 1.011 ( 1.845 -3.152 5.261) 6.404 1.171 ( 4.214 -0.117 3.973) 5.793 1.178 ( 1.754 -0.883 2.829) 3.443 1.216 ( 4.658 3.055 -6.181) 8.321 1.250 ( 1.106 -0.057 -3.159) 3.348 1.462 ( -1.554 7.751 -6.296) 10.106 1.599 ( -1.496 -4.571 -5.588) 7.373 1.744 ( 2.212 2.818 3.479) 4.994 1.785 ( -2.268 3.121 -0.302) 3.870 1.846 ( 1.551 0.405 3.410) 3.768 1.881 ( -1.710 -2.394 -1.757) 3.427 2.105 ( -1.776 -0.260 -4.386) 4.739 2.159 ( 2.712 -4.677 2.844) 6.109 2.248 ( -5.495 4.331 0.910) 7.055 2.345 ( -4.700 -0.981 3.706) 6.065 2.473 ( -5.685 -0.423 5.129) 7.669 2.517 ( -3.213 0.655 -3.969) 5.148 2.627 ( -2.332 -0.057 2.547) 3.454 2.678 ( -1.230 -4.260 3.959) 5.944 2.916 ( -6.789 5.389 -4.078) 9.579 3.005 ( -3.792 -1.991 -0.919) 4.381 3.076 ( -9.824 0.196 -3.363) 10.386 3.106 ( -5.873 -1.909 -1.709) 6.407 3.234 ( -5.341 -0.378 0.948) 5.437 3.270 ( -6.812 -3.699 -0.466) 7.766 3.590 ( -1.443 3.699 -1.817) 4.367 3.643 ( -0.378 -1.075 6.888) 6.982 3.790 ( 3.822 5.237 0.237) 6.488 3.856 ( 6.306 6.106 -0.278) 8.782 3.877 ( 3.021 -0.973 0.566) 3.223 3.919 ( 2.378 2.612 0.690) 3.599 4.008 ( 3.411 -1.949 0.726) 3.995 4.017 ( 3.765 -4.980 -1.163) 6.351 4.223 ( 4.254 0.798 -0.750) 4.392 4.257 ( 5.661 -1.795 -1.238) 6.066 4.402 ( 1.350 -2.485 -0.644) 2.901 4.407 ( 0.352 -3.139 1.855) 3.663 4.606 ( 1.476 1.215 0.436) 1.961 4.633 ( 1.538 -1.494 1.217) 2.465 5.046 ( -0.294 1.068 -0.028) 1.108 5.053 ( 0.106 -0.192 2.254) 2.264 5.210 ( -0.910 3.973 -3.107) 5.125 5.299 ( 0.721 -4.874 -5.009) 7.026 5.427 ( 2.523 5.128 -0.409) 5.730 5.546 ( 2.402 -5.965 0.096) 6.432 5.910 ( 4.159 6.792 1.505) 8.105 6.043 ( 6.006 -5.829 0.709) 8.400 6.617 ( 0.065 1.349 0.752) 1.546 6.647 ( -0.113 -1.474 -0.150) 1.486 6.793 ( -0.252 1.460 -1.652) 2.219 6.829 ( -0.559 -2.065 -3.376) 3.997 6.943 ( 0.362 3.828 0.423) 3.868 7.018 ( 0.185 -3.217 0.397) 3.247 7.285 ( 5.523 9.407 0.414) 10.916 7.467 ( 7.034 -8.333 1.266) 10.978 7.882 ( -10.588 4.759 1.698) 11.732 7.971 ( -8.450 -4.293 -0.729) 9.506 8.334 ( -3.887 3.191 0.067) 5.030 8.399 ( -3.451 -3.062 -0.461) 4.637 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -5.403 6.810 4.228) 9.667 1.084 ( -1.113 -6.285 4.529) 7.826 1.176 ( 1.027 4.825 -2.467) 5.515 1.235 ( 1.979 -0.765 -6.147) 6.503 1.285 ( 5.113 1.489 0.825) 5.389 1.351 ( 4.371 -3.672 5.005) 7.592 1.410 ( 7.220 6.599 -6.120) 11.539 1.502 ( 2.575 -1.295 -9.724) 10.142 1.703 ( -4.703 3.161 -4.314) 7.122 1.777 ( -2.841 -5.062 -3.915) 7.001 1.820 ( -0.213 4.174 2.873) 5.072 1.884 ( 0.405 -1.685 0.483) 1.799 2.107 ( -1.304 5.594 8.698) 10.423 2.144 ( -6.216 0.990 0.377) 6.306 2.230 ( -4.064 -2.063 1.167) 4.705 2.266 ( -5.098 -6.452 5.834) 10.083 2.423 ( -0.612 4.419 0.504) 4.489 2.498 ( 3.013 -2.006 0.839) 3.716 2.618 ( -4.528 -1.495 2.416) 5.346 2.691 ( -3.237 -7.206 1.613) 8.063 2.767 ( -3.924 3.991 -5.021) 7.519 2.890 ( -4.886 -7.376 -4.590) 9.967 2.946 ( -2.888 0.023 -1.162) 3.113 3.005 ( -3.324 -4.017 -2.336) 5.713 3.140 ( -5.075 1.954 -0.912) 5.514 3.187 ( -4.557 -3.120 1.550) 5.736 3.549 ( -0.805 6.101 -2.103) 6.503 3.677 ( -1.109 -5.295 0.496) 5.432 3.830 ( 3.309 6.203 -3.277) 7.757 3.896 ( 1.337 2.719 0.349) 3.050 3.921 ( 2.239 5.107 1.339) 5.735 3.953 ( 1.459 3.363 -0.210) 3.672 4.074 ( 3.109 -2.315 1.495) 4.155 4.125 ( 5.626 -4.649 0.011) 7.298 4.278 ( 1.910 -0.691 0.721) 2.155 4.301 ( 0.375 -3.659 -0.552) 3.719 4.416 ( 1.604 2.355 0.584) 2.908 4.455 ( 2.491 -0.429 1.409) 2.894 4.628 ( -0.508 1.607 2.090) 2.685 4.665 ( 0.276 -1.641 1.904) 2.529 5.045 ( 0.532 1.775 -0.319) 1.880 5.074 ( 0.049 -0.703 1.185) 1.379 5.185 ( 0.293 1.710 -0.314) 1.763 5.257 ( -0.307 -5.971 -2.631) 6.532 5.477 ( 3.966 5.413 -0.834) 6.762 5.575 ( 1.243 -3.983 -0.287) 4.182 6.014 ( 6.091 7.912 1.265) 10.065 6.130 ( 3.306 -2.920 0.478) 4.437 6.615 ( 0.092 1.405 -0.893) 1.667 6.645 ( 0.398 -1.492 -0.682) 1.687 6.777 ( -0.613 0.637 0.730) 1.147 6.796 ( -1.164 -1.203 0.486) 1.743 6.988 ( 4.162 3.735 0.248) 5.598 7.054 ( 3.052 -2.283 0.382) 3.831 7.367 ( 3.807 10.916 0.132) 11.562 7.577 ( 4.592 -7.588 0.899) 8.915 7.703 ( -11.478 3.314 -0.294) 11.950 7.817 ( -8.287 -6.445 -1.299) 10.578 8.275 ( -3.008 1.470 -0.025) 3.348 8.332 ( -4.074 -3.806 -0.204) 5.579 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -6.297 8.780 2.371) 11.061 1.056 ( -5.414 -8.304 0.620) 9.932 1.142 ( 1.295 2.716 -10.987) 11.391 1.181 ( 2.940 -1.561 -9.549) 10.113 1.294 ( 0.250 2.893 -6.936) 7.519 1.332 ( 1.884 -0.939 -6.402) 6.739 1.514 ( 2.813 1.030 -0.719) 3.081 1.552 ( 2.545 1.423 0.597) 2.976 1.671 ( 8.762 3.617 3.923) 10.259 1.786 ( 1.919 -0.772 2.586) 3.312 1.821 ( 2.173 2.990 1.590) 4.024 1.933 ( -0.364 -0.912 5.222) 5.314 2.027 ( -8.560 -1.221 1.301) 8.744 2.102 ( -4.488 -4.684 3.796) 7.516 2.182 ( -4.512 3.360 3.255) 6.499 2.248 ( -1.873 -2.561 -1.881) 3.688 2.469 ( 0.031 2.957 3.304) 4.434 2.541 ( -3.197 -1.860 1.204) 3.890 2.595 ( 3.344 0.964 3.034) 4.616 2.641 ( -2.764 -5.023 1.854) 6.026 2.713 ( 1.644 -1.169 -0.620) 2.111 2.834 ( 1.538 -11.134 -1.801) 11.383 2.882 ( -1.248 -0.128 -4.276) 4.457 2.918 ( -2.832 -2.027 -5.945) 6.890 3.074 ( -1.125 1.169 -1.112) 1.967 3.136 ( -2.913 -4.008 0.745) 5.010 3.515 ( 0.106 5.471 -3.447) 6.467 3.622 ( -1.527 -4.099 -5.525) 7.047 3.858 ( 2.880 6.356 -0.645) 7.008 3.936 ( 1.246 0.353 1.089) 1.692 3.958 ( -0.217 2.707 1.816) 3.267 3.967 ( 0.519 3.437 0.975) 3.610 4.108 ( 0.967 1.886 -1.866) 2.824 4.181 ( 1.117 -2.053 -0.629) 2.420 4.284 ( -0.053 -3.557 -0.909) 3.671 4.294 ( 0.678 -4.407 -0.609) 4.500 4.466 ( 0.399 4.422 3.325) 5.547 4.508 ( 1.156 0.785 3.172) 3.466 4.628 ( -1.798 2.886 1.879) 3.885 4.684 ( -0.647 -1.594 1.844) 2.522 5.051 ( 0.385 1.843 -0.072) 1.884 5.091 ( 0.187 -1.208 1.698) 2.093 5.187 ( -0.121 0.592 -0.616) 0.863 5.250 ( 0.964 -6.347 0.467) 6.437 5.529 ( 3.026 3.683 -0.690) 4.816 5.581 ( -0.171 -1.456 -0.271) 1.491 6.118 ( 4.405 5.630 1.103) 7.233 6.154 ( -1.220 2.534 0.637) 2.883 6.608 ( 0.367 1.437 -1.049) 1.817 6.637 ( 0.142 -1.298 -1.625) 2.085 6.799 ( 0.282 -0.074 3.556) 3.568 6.808 ( -0.162 -0.736 3.883) 3.955 7.066 ( 4.125 3.030 0.210) 5.123 7.100 ( 1.037 0.072 0.378) 1.106 7.414 ( 3.277 9.793 -1.352) 10.415 7.513 ( -9.003 6.008 -1.827) 10.977 7.643 ( 2.170 -8.780 0.270) 9.048 7.694 ( -3.885 -8.696 -1.591) 9.656 8.241 ( -0.704 -1.011 -0.507) 1.332 8.270 ( -2.379 -3.620 -0.801) 4.405 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -3.036 5.897 -2.179) 6.981 0.945 ( -4.104 -8.095 -5.177) 10.449 1.030 ( -0.105 2.132 -9.163) 9.408 1.079 ( -0.772 -2.639 -9.902) 10.277 1.253 ( -0.304 2.017 -6.112) 6.444 1.281 ( 4.016 -0.506 -4.864) 6.328 1.582 ( 4.227 5.642 1.564) 7.221 1.632 ( 4.861 2.465 1.587) 5.677 1.785 ( -1.499 0.651 5.010) 5.270 1.850 ( -0.970 5.995 1.759) 6.323 1.863 ( 0.264 -5.389 -2.340) 5.881 1.936 ( -2.184 -1.839 0.402) 2.884 2.032 ( 3.095 1.176 6.778) 7.544 2.084 ( -3.306 -1.883 4.228) 5.689 2.173 ( 2.558 0.228 4.665) 5.325 2.220 ( 0.257 -2.434 1.907) 3.103 2.472 ( -0.293 0.300 -0.852) 0.950 2.523 ( -1.088 -3.779 0.893) 4.033 2.620 ( -1.630 2.853 0.298) 3.299 2.640 ( -1.417 -0.717 -0.433) 1.646 2.783 ( 1.595 1.780 2.139) 3.207 2.804 ( 2.537 -1.323 -6.502) 7.103 2.831 ( 2.827 -2.367 -4.568) 5.870 2.910 ( 4.580 -9.240 2.964) 10.730 3.085 ( 3.317 -1.556 0.069) 3.665 3.131 ( 2.328 -5.205 0.324) 5.711 3.476 ( 1.020 2.461 -5.239) 5.877 3.522 ( -1.980 -1.306 -7.489) 7.855 3.888 ( -0.583 4.629 0.138) 4.668 3.940 ( -0.316 3.678 0.337) 3.707 3.961 ( -1.233 -1.221 1.145) 2.079 3.989 ( 0.447 0.210 0.309) 0.583 4.076 ( -2.668 6.192 -1.070) 6.827 4.149 ( -1.998 0.091 -2.385) 3.113 4.278 ( -0.222 -3.285 -1.075) 3.464 4.305 ( 1.504 -6.103 -0.572) 6.312 4.497 ( -1.766 3.914 4.320) 6.091 4.549 ( -0.985 -0.501 4.525) 4.658 4.631 ( -0.700 4.298 2.334) 4.941 4.678 ( -1.726 -0.376 1.022) 2.040 5.058 ( -0.018 0.563 0.661) 0.869 5.096 ( -1.307 -2.765 0.517) 3.102 5.188 ( 0.558 2.667 0.864) 2.858 5.280 ( 1.897 -6.443 0.136) 6.718 5.549 ( -0.800 2.062 -0.329) 2.236 5.569 ( -0.134 0.023 -0.375) 0.398 6.101 ( -5.636 7.837 0.844) 9.690 6.173 ( 0.395 1.021 0.957) 1.454 6.606 ( 0.349 0.451 -0.768) 0.956 6.620 ( 0.227 -0.961 -1.507) 1.802 6.856 ( 0.029 0.199 4.647) 4.651 6.861 ( 1.045 -0.484 4.996) 5.127 7.065 ( -4.652 3.255 0.211) 5.681 7.103 ( -1.612 0.008 0.495) 1.686 7.384 ( -3.027 8.517 -2.423) 9.358 7.484 ( 8.053 3.720 -3.176) 9.423 7.616 ( -2.840 -4.475 -0.149) 5.302 7.710 ( 5.012 -9.456 -1.023) 10.751 8.231 ( 0.497 -1.036 -0.735) 1.364 8.263 ( 2.811 -3.974 -0.940) 4.958 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.773 3.632 -3.874) 5.599 0.841 ( 0.166 -5.923 -8.734) 10.554 0.947 ( -1.462 0.634 -1.914) 2.490 0.999 ( -0.045 -3.556 -4.117) 5.441 1.199 ( 1.728 8.431 -4.653) 9.784 1.322 ( 5.070 -3.399 -2.030) 6.432 1.626 ( 0.735 5.566 -0.783) 5.669 1.703 ( -1.604 -1.510 -2.418) 3.271 1.805 ( 0.194 1.174 3.179) 3.394 1.823 ( 1.136 5.639 1.006) 5.840 1.847 ( -1.822 -0.850 5.706) 6.050 1.944 ( 0.155 -4.504 3.300) 5.586 2.035 ( -2.602 -0.470 -5.686) 6.271 2.058 ( -1.960 -2.117 -2.310) 3.696 2.302 ( 0.531 2.696 7.668) 8.145 2.349 ( 4.840 -0.992 9.417) 10.634 2.456 ( 4.066 4.327 -3.594) 6.940 2.513 ( 0.627 -3.001 -5.292) 6.116 2.557 ( -4.454 -1.673 2.318) 5.292 2.621 ( 0.680 -4.834 2.702) 5.579 2.834 ( 8.639 5.852 -2.550) 10.742 2.876 ( 5.874 2.668 0.711) 6.490 2.908 ( 6.732 -1.246 -0.449) 6.861 2.977 ( 3.840 -5.759 -3.055) 7.566 3.188 ( 6.643 -4.648 0.982) 8.167 3.203 ( 5.565 -4.816 -0.640) 7.388 3.409 ( -1.667 1.590 -6.419) 6.820 3.449 ( 2.183 -2.873 -3.310) 4.896 3.832 ( -4.331 4.238 -0.748) 6.106 3.904 ( -4.799 -2.190 -1.780) 5.567 3.944 ( -2.231 4.272 -1.133) 4.951 3.979 ( -2.056 1.763 0.302) 2.725 4.028 ( -2.578 3.039 2.976) 4.974 4.089 ( -2.254 -2.675 -1.572) 3.835 4.264 ( 0.063 -0.749 -0.507) 0.906 4.322 ( 1.210 -5.505 -0.771) 5.689 4.491 ( -4.431 5.772 4.645) 8.633 4.565 ( -3.744 -0.268 2.300) 4.402 4.631 ( -1.089 2.981 1.296) 3.428 4.676 ( -0.989 -2.319 3.056) 3.961 5.048 ( -1.862 0.633 -0.087) 1.969 5.079 ( -1.238 -2.368 0.747) 2.775 5.219 ( 2.172 2.989 0.490) 3.727 5.311 ( 2.787 -5.643 -1.705) 6.521 5.509 ( -3.053 2.770 0.037) 4.122 5.558 ( -1.054 -1.642 -0.543) 2.025 5.998 ( -7.570 10.165 1.022) 12.715 6.148 ( -4.460 -4.054 0.789) 6.078 6.595 ( -0.285 0.962 -0.939) 1.374 6.619 ( 0.578 -1.435 -0.827) 1.754 6.894 ( -0.465 1.723 3.081) 3.561 6.929 ( 0.967 -1.441 3.169) 3.613 6.984 ( -4.075 2.959 0.165) 5.039 7.048 ( -3.820 -2.421 0.107) 4.524 7.334 ( -2.280 10.029 -0.767) 10.313 7.525 ( -2.654 -8.692 -0.713) 9.116 7.647 ( 9.029 8.310 -1.277) 12.338 7.810 ( 8.570 -8.608 -1.339) 12.221 8.259 ( 3.589 1.576 -0.416) 3.942 8.326 ( 5.343 -4.824 -0.324) 7.206 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -3.706 3.202 -3.987) 6.315 0.752 ( -2.590 -6.115 -3.368) 7.446 0.937 ( 1.036 5.205 3.681) 6.459 1.051 ( 3.855 -5.634 5.798) 8.956 1.207 ( 4.271 11.277 -3.699) 12.614 1.378 ( 2.803 -5.544 -2.025) 6.534 1.569 ( -4.402 2.753 -7.005) 8.719 1.602 ( -0.565 1.036 -4.529) 4.680 1.809 ( -1.250 0.992 -5.804) 6.019 1.827 ( -1.308 1.859 -2.994) 3.759 1.902 ( 1.333 3.866 0.136) 4.092 1.945 ( -3.008 -0.821 2.328) 3.892 1.988 ( 0.418 -0.913 5.702) 5.789 2.067 ( 1.132 -6.729 10.377) 12.419 2.350 ( -2.531 4.884 4.050) 6.830 2.448 ( -0.242 -2.996 4.493) 5.406 2.477 ( 3.019 2.941 0.543) 4.249 2.547 ( 1.233 -6.503 0.226) 6.622 2.596 ( 8.508 5.133 0.396) 9.944 2.683 ( 1.271 -2.705 1.740) 3.458 2.894 ( 0.594 0.174 -6.573) 6.602 2.937 ( 4.474 -3.491 -3.699) 6.774 3.038 ( 10.204 5.581 -2.053) 11.810 3.048 ( 10.445 6.488 -2.690) 12.587 3.262 ( 4.724 -3.789 -3.231) 6.864 3.292 ( 4.083 -3.458 0.958) 5.435 3.378 ( 2.916 1.670 -0.302) 3.374 3.496 ( 4.825 -8.345 0.635) 9.660 3.762 ( -4.489 1.449 -0.388) 4.733 3.780 ( -5.425 0.525 1.128) 5.565 3.873 ( -4.212 7.847 -1.057) 8.969 3.940 ( -5.001 2.787 1.708) 5.974 3.993 ( -4.295 -1.051 -0.144) 4.424 4.053 ( -1.869 -7.620 0.046) 7.846 4.273 ( 0.885 0.961 0.713) 1.488 4.337 ( 1.544 -4.641 0.133) 4.893 4.458 ( -4.746 4.706 2.872) 7.274 4.484 ( -5.376 2.000 -1.229) 5.866 4.612 ( -2.982 1.695 0.882) 3.541 4.686 ( -3.042 -5.443 3.458) 7.130 5.012 ( -2.035 2.488 0.001) 3.214 5.064 ( -1.383 -2.454 0.396) 2.845 5.264 ( 3.645 2.535 -1.510) 4.690 5.327 ( 3.007 -3.024 -4.308) 6.062 5.466 ( -2.227 1.836 0.661) 2.961 5.525 ( -2.209 -2.957 -0.052) 3.691 5.892 ( -6.231 8.627 1.241) 10.714 6.055 ( -7.396 -6.817 0.885) 10.098 6.579 ( -0.608 1.518 -0.697) 1.777 6.612 ( -0.291 -1.950 -0.740) 2.106 6.905 ( -0.413 2.145 0.582) 2.261 6.937 ( -0.322 3.488 0.321) 3.518 6.961 ( -0.140 -2.194 -0.423) 2.239 7.023 ( 0.499 -3.603 0.237) 3.645 7.271 ( -4.938 9.361 0.263) 10.587 7.454 ( -6.024 -8.593 1.474) 10.597 7.797 ( 9.478 8.266 -0.551) 12.589 7.946 ( 8.655 -6.809 -0.871) 11.046 8.332 ( 5.104 3.910 0.046) 6.430 8.420 ( 5.819 -4.699 -0.042) 7.480 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.472 1.808 6.821) 7.072 0.714 ( -2.698 -7.862 6.932) 10.824 1.047 ( 1.322 9.619 6.002) 11.415 1.098 ( -1.283 3.601 -1.568) 4.132 1.270 ( 0.506 1.613 -7.011) 7.212 1.335 ( 5.582 -1.383 -1.039) 5.844 1.498 ( -0.645 -0.565 -3.193) 3.306 1.548 ( 3.547 -1.576 -3.654) 5.331 1.721 ( -0.974 2.381 -2.959) 3.921 1.777 ( -0.413 -0.418 -2.185) 2.262 1.911 ( -1.157 0.613 0.668) 1.470 1.924 ( -0.859 -0.612 0.167) 1.068 2.087 ( -0.086 5.049 9.654) 10.895 2.214 ( 0.562 -6.795 10.203) 12.272 2.315 ( -4.203 4.681 1.051) 6.378 2.446 ( -5.067 -6.453 0.325) 8.211 2.522 ( -1.517 2.155 -9.770) 10.119 2.580 ( 2.558 -0.531 -3.510) 4.376 2.659 ( 4.030 3.617 5.120) 7.452 2.732 ( 2.835 -3.051 6.102) 7.388 2.866 ( 3.433 5.105 0.710) 6.193 3.001 ( 6.193 -5.593 -1.216) 8.433 3.152 ( 8.256 5.637 -5.179) 11.258 3.192 ( 7.182 4.092 -3.232) 8.875 3.291 ( 4.120 0.839 -0.447) 4.228 3.375 ( 2.604 -1.916 2.206) 3.913 3.452 ( 5.575 4.234 0.531) 7.021 3.581 ( 3.023 -4.216 0.736) 5.240 3.706 ( -2.185 0.794 3.580) 4.268 3.776 ( -5.506 8.262 -1.485) 10.039 3.787 ( -0.271 -3.367 3.561) 4.909 3.841 ( -6.978 3.984 0.527) 8.053 3.910 ( -4.931 -3.484 -0.217) 6.042 4.003 ( -2.872 -9.497 -1.349) 10.013 4.301 ( 0.902 1.358 0.256) 1.650 4.374 ( -3.797 3.502 -3.438) 6.204 4.379 ( 1.170 -4.889 0.889) 5.105 4.402 ( -2.868 1.029 -0.061) 3.047 4.564 ( -3.325 2.069 0.693) 3.977 4.641 ( -4.958 -5.069 1.324) 7.213 4.992 ( -1.013 2.427 1.380) 2.970 5.045 ( -1.312 -2.646 0.476) 2.992 5.288 ( 2.987 3.224 -4.541) 6.320 5.330 ( 3.752 -1.600 -4.691) 6.217 5.448 ( -0.806 0.025 0.260) 0.847 5.494 ( -2.043 -3.545 0.739) 4.158 5.834 ( -2.390 4.455 1.537) 5.284 5.945 ( -6.859 -6.080 1.450) 9.279 6.565 ( -0.323 1.594 -0.025) 1.627 6.602 ( -0.219 -2.196 0.132) 2.211 6.897 ( -0.387 1.926 -1.513) 2.479 6.939 ( 0.532 -1.057 -1.262) 1.730 6.970 ( 2.500 2.718 -0.779) 3.774 7.047 ( 2.279 -3.441 -0.344) 4.142 7.190 ( -4.402 7.924 0.240) 9.068 7.358 ( -7.233 -8.529 1.053) 11.233 7.931 ( 5.739 7.624 1.554) 9.668 8.060 ( 5.281 -5.293 0.256) 7.481 8.408 ( 3.627 4.911 -0.199) 6.109 8.497 ( 3.708 -3.903 -1.250) 5.527 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -1.510 0.000 13.797) 13.880 0.663 ( -3.372 0.000 13.277) 13.699 0.850 ( 0.529 0.000 -4.301) 4.333 0.871 ( 1.251 0.000 -9.414) 9.497 1.194 ( 9.032 0.000 21.346) 23.178 1.244 ( 3.977 0.000 -0.942) 4.087 1.277 ( -0.519 0.000 -2.215) 2.275 1.530 ( -7.461 0.000 -13.906) 15.781 1.660 ( -0.367 0.000 3.989) 4.005 1.789 ( 5.162 0.000 -4.369) 6.763 2.033 ( -16.076 0.000 3.973) 16.560 2.133 ( 2.890 0.000 -5.390) 6.116 2.194 ( -0.075 0.000 3.689) 3.690 2.313 ( 6.848 0.000 -7.165) 9.911 2.473 ( 2.819 0.000 2.449) 3.734 2.498 ( -3.552 0.000 -1.091) 3.716 2.581 ( 0.075 0.000 4.043) 4.043 2.622 ( -1.069 0.000 1.671) 1.984 2.639 ( -1.576 0.000 -1.712) 2.327 2.682 ( 0.833 0.000 -2.119) 2.277 2.790 ( -1.279 0.000 9.424) 9.510 2.998 ( 5.548 0.000 1.395) 5.721 3.013 ( -7.964 0.000 -0.769) 8.001 3.064 ( -1.069 0.000 -10.332) 10.387 3.285 ( -1.199 0.000 3.493) 3.693 3.324 ( -0.425 0.000 -0.606) 0.740 3.405 ( -2.218 0.000 3.474) 4.122 3.420 ( 7.204 0.000 4.568) 8.530 3.542 ( 5.703 0.000 -0.909) 5.775 3.567 ( -1.782 0.000 -6.874) 7.101 3.886 ( -2.382 0.000 -2.053) 3.144 3.933 ( -0.611 0.000 -6.412) 6.441 4.154 ( 0.927 0.000 5.426) 5.505 4.217 ( 2.871 0.000 -0.863) 2.998 4.301 ( -1.356 0.000 3.156) 3.435 4.381 ( -0.069 0.000 -4.018) 4.018 4.454 ( -0.134 0.000 2.146) 2.150 4.481 ( -1.507 0.000 -0.320) 1.541 4.608 ( 2.366 0.000 0.478) 2.414 4.615 ( -2.644 0.000 -0.059) 2.645 5.048 ( 0.173 0.000 2.824) 2.829 5.104 ( 0.349 0.000 -2.506) 2.530 5.187 ( 8.093 0.000 2.145) 8.372 5.227 ( -5.917 0.000 -1.826) 6.193 5.606 ( -0.529 0.000 4.025) 4.060 5.691 ( 0.262 0.000 -4.190) 4.198 5.994 ( 0.172 0.000 1.337) 1.348 6.029 ( 0.930 0.000 -1.954) 2.164 6.584 ( -1.295 0.000 4.093) 4.293 6.683 ( 1.628 0.000 -5.372) 5.613 6.792 ( -1.649 0.000 1.532) 2.251 6.848 ( 1.795 0.000 -4.402) 4.754 6.986 ( -0.445 0.000 1.744) 1.800 7.011 ( 0.939 0.000 -0.715) 1.180 7.389 ( 13.678 0.000 1.887) 13.807 7.416 ( -17.950 0.000 -1.026) 17.979 7.812 ( -11.957 0.000 8.935) 14.927 7.981 ( 13.666 0.000 -7.548) 15.612 8.227 ( -0.521 0.000 0.886) 1.027 8.234 ( 1.084 0.000 0.253) 1.114 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -3.118 0.000 -3.007) 4.332 0.759 ( 2.187 0.000 8.417) 8.696 0.794 ( 3.137 0.000 3.906) 5.010 0.845 ( 5.263 0.000 -5.457) 7.581 1.238 ( -6.305 0.000 -15.955) 17.156 1.242 ( -0.590 0.000 -4.674) 4.711 1.346 ( 8.390 0.000 0.637) 8.414 1.512 ( 5.128 0.000 11.553) 12.640 1.661 ( -2.506 0.000 6.001) 6.503 1.697 ( -3.777 0.000 -10.558) 11.213 1.914 ( -7.852 0.000 7.827) 11.087 2.134 ( -4.713 0.000 9.402) 10.517 2.256 ( 4.087 0.000 -4.469) 6.056 2.332 ( 3.314 0.000 -7.436) 8.141 2.380 ( -8.945 0.000 0.812) 8.982 2.518 ( 0.590 0.000 0.803) 0.996 2.602 ( -1.595 0.000 4.705) 4.968 2.617 ( 0.205 0.000 -3.452) 3.458 2.669 ( 2.094 0.000 5.507) 5.891 2.710 ( 7.911 0.000 -0.196) 7.913 2.851 ( -4.539 0.000 -8.999) 10.079 2.941 ( 0.321 0.000 14.687) 14.691 2.977 ( 1.905 0.000 -2.541) 3.175 3.110 ( 0.170 0.000 0.007) 0.170 3.253 ( 0.673 0.000 0.807) 1.051 3.283 ( -2.677 0.000 -1.115) 2.900 3.385 ( 0.309 0.000 -2.017) 2.041 3.396 ( -4.874 0.000 -1.954) 5.251 3.632 ( 2.117 0.000 -3.556) 4.139 3.640 ( 11.062 0.000 -4.819) 12.066 3.881 ( -0.627 0.000 4.710) 4.751 3.916 ( 3.187 0.000 1.372) 3.470 4.146 ( -5.354 0.000 -5.182) 7.451 4.149 ( -2.705 0.000 2.105) 3.428 4.337 ( -2.171 0.000 2.696) 3.462 4.361 ( 1.489 0.000 -2.463) 2.878 4.446 ( -1.991 0.000 -0.851) 2.165 4.483 ( 0.466 0.000 2.642) 2.683 4.568 ( -2.079 0.000 2.345) 3.134 4.639 ( 0.736 0.000 -1.420) 1.600 5.081 ( 0.666 0.000 -3.206) 3.274 5.088 ( 1.328 0.000 2.655) 2.969 5.139 ( -1.345 0.000 -2.476) 2.818 5.345 ( 8.094 0.000 0.613) 8.117 5.618 ( -3.525 0.000 4.793) 5.950 5.621 ( -3.063 0.000 -4.366) 5.333 5.974 ( -3.638 0.000 0.610) 3.689 5.991 ( -2.260 0.000 -2.592) 3.439 6.618 ( -0.334 0.000 4.674) 4.686 6.653 ( 1.730 0.000 -4.951) 5.245 6.799 ( -0.328 0.000 2.004) 2.030 6.857 ( 3.598 0.000 -2.577) 4.426 6.974 ( -2.475 0.000 0.237) 2.486 6.982 ( -3.317 0.000 0.015) 3.317 7.174 ( -10.533 0.000 1.644) 10.660 7.538 ( -5.426 0.000 -0.451) 5.445 7.792 ( 4.506 0.000 11.318) 12.182 8.058 ( 6.263 0.000 -8.822) 10.819 8.251 ( 2.723 0.000 0.371) 2.748 8.286 ( 5.651 0.000 -2.187) 6.059 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -2.133 0.000 -0.634) 2.225 0.822 ( 2.998 0.000 -13.497) 13.826 0.890 ( 0.700 0.000 5.265) 5.312 0.920 ( 6.588 0.000 6.163) 9.021 1.061 ( 5.022 0.000 -10.161) 11.334 1.191 ( -0.483 0.000 -0.150) 0.506 1.500 ( 6.617 0.000 -6.334) 9.160 1.573 ( 0.541 0.000 3.863) 3.901 1.589 ( 4.599 0.000 -4.738) 6.603 1.776 ( -3.774 0.000 13.556) 14.071 1.809 ( -7.540 0.000 -1.751) 7.741 2.090 ( -6.293 0.000 -7.536) 9.818 2.210 ( -6.059 0.000 6.176) 8.651 2.253 ( -8.470 0.000 5.892) 10.318 2.257 ( 0.276 0.000 -9.071) 9.075 2.492 ( -2.977 0.000 -6.427) 7.083 2.584 ( 0.397 0.000 -4.436) 4.454 2.687 ( 0.137 0.000 11.501) 11.501 2.741 ( 3.147 0.000 -6.393) 7.126 2.767 ( 1.079 0.000 7.909) 7.982 2.895 ( 10.375 0.000 -3.965) 11.107 3.014 ( -2.033 0.000 3.309) 3.884 3.082 ( 6.727 0.000 6.893) 9.631 3.083 ( 1.713 0.000 1.336) 2.173 3.242 ( 0.025 0.000 0.130) 0.133 3.296 ( -1.088 0.000 -3.936) 4.083 3.342 ( 2.630 0.000 -5.842) 6.406 3.363 ( 1.691 0.000 1.810) 2.477 3.599 ( -0.141 0.000 0.838) 0.850 3.699 ( 2.178 0.000 -4.586) 5.077 3.888 ( -4.399 0.000 -0.706) 4.455 3.985 ( 1.072 0.000 1.282) 1.671 4.056 ( -0.944 0.000 3.070) 3.212 4.190 ( 2.553 0.000 3.797) 4.576 4.266 ( -4.812 0.000 -1.722) 5.111 4.346 ( -0.339 0.000 -2.238) 2.264 4.379 ( -2.812 0.000 -3.214) 4.271 4.508 ( 0.391 0.000 0.008) 0.391 4.607 ( -0.445 0.000 4.873) 4.893 4.607 ( -0.022 0.000 -4.254) 4.254 5.079 ( 2.044 0.000 -2.004) 2.862 5.132 ( 1.697 0.000 1.805) 2.478 5.142 ( 1.955 0.000 1.585) 2.517 5.457 ( 3.269 0.000 1.993) 3.828 5.513 ( -3.056 0.000 -4.105) 5.118 5.600 ( -5.372 0.000 5.577) 7.744 5.898 ( -5.459 0.000 -0.359) 5.470 5.911 ( -2.744 0.000 -3.918) 4.783 6.640 ( 2.387 0.000 -3.656) 4.367 6.673 ( 0.828 0.000 4.659) 4.732 6.788 ( -3.344 0.000 0.656) 3.408 6.884 ( 0.260 0.000 -2.192) 2.208 6.923 ( 0.054 0.000 -1.875) 1.876 6.947 ( -2.687 0.000 4.257) 5.034 7.084 ( -2.968 0.000 0.635) 3.035 7.358 ( -10.013 0.000 -2.098) 10.231 8.013 ( 3.594 0.000 8.660) 9.376 8.036 ( 3.115 0.000 -8.115) 8.692 8.338 ( 5.508 0.000 3.262) 6.402 8.349 ( 5.220 0.000 -2.986) 6.014 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -4.124 0.000 8.779) 9.699 0.714 ( 5.958 0.000 -13.972) 15.189 0.949 ( -0.233 0.000 6.549) 6.553 1.066 ( 4.446 0.000 -6.461) 7.843 1.144 ( 11.414 0.000 3.541) 11.950 1.242 ( 6.605 0.000 -0.337) 6.614 1.479 ( -2.395 0.000 3.415) 4.171 1.544 ( -9.176 0.000 -5.573) 10.736 1.639 ( 1.412 0.000 -9.217) 9.325 1.666 ( 3.655 0.000 -2.527) 4.444 1.835 ( -2.565 0.000 2.691) 3.718 1.982 ( 1.924 0.000 1.557) 2.475 2.081 ( -10.545 0.000 6.440) 12.356 2.173 ( -2.158 0.000 -5.581) 5.983 2.323 ( 1.816 0.000 4.930) 5.254 2.341 ( -1.738 0.000 -8.713) 8.885 2.513 ( -2.198 0.000 -4.813) 5.291 2.749 ( 2.626 0.000 -2.341) 3.518 2.788 ( -1.139 0.000 5.674) 5.788 2.839 ( -0.384 0.000 -11.841) 11.847 2.890 ( 0.298 0.000 11.448) 11.452 2.997 ( -0.768 0.000 -2.968) 3.066 3.145 ( 2.352 0.000 -1.009) 2.559 3.244 ( 0.613 0.000 4.272) 4.316 3.315 ( 4.609 0.000 0.425) 4.629 3.321 ( 7.463 0.000 1.897) 7.700 3.363 ( 8.210 0.000 -2.047) 8.461 3.463 ( 5.469 0.000 8.357) 9.988 3.623 ( -5.605 0.000 -3.158) 6.433 3.660 ( 2.274 0.000 5.121) 5.603 3.789 ( -2.897 0.000 -2.411) 3.769 3.943 ( -6.451 0.000 0.337) 6.459 4.112 ( -1.258 0.000 6.815) 6.930 4.146 ( -3.955 0.000 -8.269) 9.166 4.272 ( 2.039 0.000 2.017) 2.868 4.301 ( -1.357 0.000 -3.261) 3.532 4.336 ( 0.980 0.000 -0.583) 1.141 4.491 ( -0.310 0.000 -3.155) 3.170 4.577 ( 3.500 0.000 -5.814) 6.786 4.612 ( -4.179 0.000 3.014) 5.152 5.098 ( 2.029 0.000 -0.151) 2.034 5.174 ( 0.944 0.000 -0.302) 0.991 5.221 ( 2.181 0.000 6.618) 6.968 5.415 ( -3.341 0.000 -0.135) 3.344 5.542 ( 2.425 0.000 1.781) 3.009 5.565 ( -6.356 0.000 6.125) 8.827 5.798 ( -4.762 0.000 -1.913) 5.132 5.827 ( -0.956 0.000 -5.607) 5.688 6.649 ( 3.144 0.000 -3.362) 4.603 6.709 ( -3.804 0.000 1.752) 4.188 6.759 ( 1.476 0.000 2.547) 2.944 6.833 ( -1.061 0.000 -1.075) 1.511 6.951 ( 3.389 0.000 -1.675) 3.781 6.959 ( -3.180 0.000 5.526) 6.376 7.066 ( -0.581 0.000 0.410) 0.711 7.202 ( -6.215 0.000 -2.127) 6.569 8.008 ( 3.615 0.000 -6.697) 7.611 8.077 ( -1.850 0.000 2.658) 3.239 8.399 ( 4.368 0.000 -2.037) 4.819 8.456 ( 1.747 0.000 4.859) 5.164 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -9.337 0.000 12.964) 15.976 0.752 ( 9.696 0.000 -4.170) 10.554 1.036 ( 2.156 0.000 3.585) 4.183 1.047 ( 5.450 0.000 -9.438) 10.898 1.306 ( 1.297 0.000 -1.365) 1.883 1.307 ( -9.354 0.000 -3.471) 9.977 1.374 ( 8.379 0.000 -3.173) 8.959 1.454 ( -0.520 0.000 -0.800) 0.954 1.587 ( -0.547 0.000 5.603) 5.629 1.726 ( 2.384 0.000 0.262) 2.398 1.838 ( 3.049 0.000 2.238) 3.783 1.940 ( -4.504 0.000 -1.793) 4.848 2.039 ( -3.136 0.000 -7.735) 8.347 2.149 ( -0.289 0.000 6.525) 6.532 2.228 ( -4.563 0.000 -7.690) 8.942 2.285 ( 0.338 0.000 -2.638) 2.659 2.560 ( 5.261 0.000 4.199) 6.731 2.737 ( -1.694 0.000 -2.140) 2.729 2.754 ( 1.303 0.000 -4.480) 4.666 2.788 ( -2.978 0.000 1.051) 3.158 2.964 ( 1.792 0.000 -2.445) 3.031 2.967 ( -2.827 0.000 5.257) 5.969 3.187 ( 5.632 0.000 -2.510) 6.166 3.242 ( -2.766 0.000 -0.237) 2.777 3.376 ( 2.816 0.000 0.207) 2.824 3.407 ( 1.098 0.000 0.835) 1.379 3.494 ( -2.068 0.000 2.083) 2.935 3.577 ( 9.039 0.000 4.364) 10.038 3.611 ( -0.614 0.000 4.351) 4.394 3.769 ( 1.776 0.000 0.062) 1.777 3.783 ( 2.102 0.000 7.803) 8.081 3.844 ( -2.108 0.000 -0.188) 2.116 3.962 ( -4.416 0.000 -10.110) 11.033 4.113 ( -5.278 0.000 1.195) 5.412 4.259 ( 0.286 0.000 -0.932) 0.975 4.292 ( 0.740 0.000 -1.049) 1.283 4.360 ( -0.381 0.000 1.394) 1.445 4.441 ( -0.269 0.000 -4.658) 4.666 4.555 ( -5.757 0.000 2.907) 6.449 4.595 ( 5.824 0.000 -5.716) 8.160 5.136 ( 1.620 0.000 0.874) 1.841 5.174 ( 0.012 0.000 -0.842) 0.842 5.314 ( 0.173 0.000 6.101) 6.103 5.389 ( -0.246 0.000 0.330) 0.411 5.535 ( -5.099 0.000 6.619) 8.355 5.589 ( -1.061 0.000 4.875) 4.989 5.714 ( -0.388 0.000 -5.036) 5.051 5.766 ( 1.721 0.000 -6.481) 6.706 6.654 ( -3.704 0.000 0.895) 3.810 6.666 ( 3.671 0.000 -3.699) 5.211 6.823 ( 1.422 0.000 2.705) 3.056 6.846 ( 1.835 0.000 1.055) 2.116 6.963 ( -2.761 0.000 5.079) 5.781 6.985 ( 2.594 0.000 -1.023) 2.789 7.052 ( -1.428 0.000 -0.200) 1.442 7.101 ( -3.167 0.000 -2.197) 3.854 8.019 ( 4.924 0.000 -4.232) 6.493 8.039 ( -4.564 0.000 0.716) 4.620 8.453 ( 4.104 0.000 -0.776) 4.177 8.485 ( -2.477 0.000 2.198) 3.312 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -8.658 0.000 11.200) 14.156 0.885 ( 9.099 0.000 -4.072) 9.968 0.954 ( -8.316 0.000 -5.142) 9.777 1.063 ( 3.651 0.000 -4.457) 5.762 1.223 ( -4.638 0.000 3.408) 5.755 1.230 ( -4.524 0.000 5.251) 6.931 1.426 ( -0.392 0.000 -6.456) 6.468 1.430 ( 2.838 0.000 -2.520) 3.795 1.704 ( 1.778 0.000 7.322) 7.535 1.745 ( -1.350 0.000 -2.878) 3.179 1.836 ( -4.363 0.000 -2.905) 5.241 1.943 ( 8.338 0.000 -3.431) 9.017 2.009 ( -3.225 0.000 -3.423) 4.703 2.022 ( 4.053 0.000 8.373) 9.302 2.258 ( 0.320 0.000 -3.163) 3.179 2.276 ( 3.246 0.000 -0.060) 3.246 2.633 ( -7.800 0.000 -2.175) 8.098 2.651 ( -0.707 0.000 5.948) 5.990 2.732 ( -3.214 0.000 -0.944) 3.349 2.773 ( 2.535 0.000 0.762) 2.647 2.941 ( -1.498 0.000 0.255) 1.519 3.019 ( 4.805 0.000 -0.987) 4.905 3.160 ( -5.901 0.000 -0.568) 5.928 3.255 ( 4.817 0.000 -1.498) 5.045 3.363 ( -3.836 0.000 1.150) 4.005 3.420 ( 1.471 0.000 0.009) 1.471 3.556 ( -4.750 0.000 -1.281) 4.920 3.580 ( 1.602 0.000 7.058) 7.238 3.680 ( -9.025 0.000 -6.162) 10.929 3.781 ( 8.566 0.000 5.081) 9.959 3.810 ( 0.100 0.000 -3.931) 3.933 3.834 ( 5.436 0.000 0.694) 5.480 3.975 ( -6.036 0.000 -7.798) 9.861 4.035 ( 7.705 0.000 6.476) 10.064 4.272 ( -0.255 0.000 1.264) 1.290 4.284 ( -0.314 0.000 -1.794) 1.821 4.359 ( -0.927 0.000 2.895) 3.039 4.393 ( -0.721 0.000 -2.545) 2.645 4.498 ( -5.455 0.000 3.785) 6.640 4.634 ( 5.737 0.000 -4.893) 7.541 5.153 ( -1.557 0.000 -0.874) 1.785 5.160 ( 0.243 0.000 0.684) 0.725 5.357 ( -0.574 0.000 3.492) 3.538 5.393 ( 0.338 0.000 -0.990) 1.046 5.540 ( -3.835 0.000 6.473) 7.524 5.625 ( -1.509 0.000 6.770) 6.936 5.685 ( 5.015 0.000 -7.721) 9.207 5.755 ( 5.344 0.000 -5.787) 7.877 6.611 ( -3.000 0.000 1.392) 3.307 6.696 ( 4.464 0.000 -3.030) 5.395 6.840 ( -2.083 0.000 1.568) 2.608 6.869 ( 0.069 0.000 -1.438) 1.439 6.972 ( -2.304 0.000 1.609) 2.810 7.018 ( 2.280 0.000 -0.432) 2.320 7.044 ( 1.174 0.000 2.499) 2.761 7.062 ( 1.013 0.000 -1.423) 1.747 7.957 ( -6.404 0.000 1.642) 6.611 8.068 ( 4.816 0.000 -2.262) 5.321 8.440 ( -4.361 0.000 0.658) 4.411 8.513 ( 3.800 0.000 -0.585) 3.845 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -10.177 0.000 -0.084) 10.177 0.837 ( -6.701 0.000 -7.078) 9.747 0.873 ( -4.633 0.000 12.395) 13.232 1.084 ( 5.131 0.000 -3.163) 6.028 1.135 ( -11.316 0.000 3.265) 11.778 1.246 ( -4.057 0.000 -0.559) 4.096 1.407 ( 7.628 0.000 3.686) 8.471 1.447 ( -6.310 0.000 5.017) 8.062 1.620 ( -0.630 0.000 -7.993) 8.018 1.663 ( -3.674 0.000 -4.577) 5.869 1.833 ( 2.634 0.000 3.078) 4.051 2.039 ( 2.852 0.000 -3.468) 4.491 2.079 ( 7.023 0.000 6.019) 9.249 2.195 ( 6.375 0.000 2.785) 6.956 2.283 ( 0.179 0.000 -3.535) 3.539 2.305 ( 9.271 0.000 1.746) 9.434 2.481 ( -6.161 0.000 -1.395) 6.317 2.677 ( -3.320 0.000 4.620) 5.689 2.686 ( -2.006 0.000 2.246) 3.011 2.830 ( 2.060 0.000 1.749) 2.703 2.943 ( -1.394 0.000 1.241) 1.867 3.036 ( -0.931 0.000 -0.972) 1.346 3.092 ( -0.700 0.000 2.370) 2.472 3.280 ( 0.005 0.000 -4.476) 4.476 3.308 ( -4.868 0.000 1.114) 4.993 3.344 ( -8.325 0.000 -0.791) 8.362 3.442 ( -7.008 0.000 -6.388) 9.483 3.582 ( 3.001 0.000 1.138) 3.209 3.638 ( -0.299 0.000 -0.098) 0.314 3.749 ( -7.757 0.000 -8.270) 11.338 3.786 ( 2.004 0.000 -2.530) 3.228 3.947 ( 6.439 0.000 1.100) 6.533 3.983 ( 7.543 0.000 4.453) 8.759 4.205 ( 5.053 0.000 4.620) 6.846 4.240 ( -1.039 0.000 -3.929) 4.064 4.269 ( -1.048 0.000 0.797) 1.317 4.346 ( -3.089 0.000 -0.683) 3.164 4.411 ( 1.732 0.000 4.300) 4.636 4.468 ( -3.370 0.000 5.048) 6.069 4.675 ( 4.463 0.000 -3.567) 5.714 5.106 ( -2.885 0.000 -0.666) 2.961 5.165 ( -0.254 0.000 0.501) 0.562 5.359 ( -0.718 0.000 -5.350) 5.398 5.392 ( 1.257 0.000 2.260) 2.586 5.523 ( -4.763 0.000 3.439) 5.875 5.676 ( 1.085 0.000 0.964) 1.451 5.721 ( 6.596 0.000 -1.734) 6.820 5.818 ( 7.651 0.000 -3.264) 8.318 6.587 ( -2.411 0.000 2.351) 3.368 6.748 ( 5.281 0.000 -2.271) 5.749 6.813 ( -2.138 0.000 1.470) 2.594 6.825 ( -1.452 0.000 -3.418) 3.713 6.927 ( -3.527 0.000 0.402) 3.549 7.043 ( 2.698 0.000 -2.347) 3.576 7.080 ( 1.567 0.000 -1.280) 2.024 7.136 ( 4.429 0.000 4.383) 6.232 7.883 ( -6.313 0.000 5.031) 8.073 8.117 ( 3.404 0.000 -1.721) 3.814 8.369 ( -4.925 0.000 0.904) 5.007 8.548 ( 2.084 0.000 -3.394) 3.983 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -6.124 0.000 15.079) 16.275 0.639 ( -11.081 0.000 1.102) 11.136 0.907 ( -9.915 0.000 6.984) 12.128 0.993 ( -7.370 0.000 2.122) 7.669 1.023 ( -3.930 0.000 -6.200) 7.341 1.233 ( 3.805 0.000 -3.789) 5.370 1.337 ( -8.475 0.000 9.422) 12.673 1.543 ( 3.691 0.000 -1.460) 3.970 1.647 ( 4.128 0.000 -1.770) 4.492 1.692 ( 6.442 0.000 8.306) 10.511 1.948 ( 8.175 0.000 0.162) 8.177 1.982 ( -0.310 0.000 -0.281) 0.418 2.191 ( -0.541 0.000 -6.421) 6.444 2.302 ( 4.777 0.000 10.336) 11.387 2.325 ( 2.512 0.000 -2.023) 3.225 2.389 ( 11.648 0.000 -7.879) 14.063 2.496 ( 1.274 0.000 4.166) 4.357 2.642 ( -5.364 0.000 2.856) 6.077 2.754 ( 1.215 0.000 7.700) 7.795 2.841 ( -0.443 0.000 -3.128) 3.160 2.939 ( -0.465 0.000 6.336) 6.353 2.988 ( -0.612 0.000 -7.375) 7.400 3.135 ( -2.678 0.000 -0.101) 2.680 3.162 ( -11.038 0.000 -1.463) 11.135 3.206 ( -4.902 0.000 3.114) 5.808 3.249 ( 0.105 0.000 1.283) 1.287 3.303 ( -1.535 0.000 -4.777) 5.017 3.475 ( -4.774 0.000 -11.555) 12.502 3.629 ( -1.318 0.000 2.519) 2.843 3.666 ( -0.315 0.000 -1.340) 1.377 3.843 ( 5.355 0.000 1.508) 5.563 4.001 ( -1.699 0.000 0.197) 1.711 4.143 ( 4.267 0.000 6.173) 7.504 4.168 ( -1.454 0.000 -5.525) 5.713 4.247 ( -2.049 0.000 0.311) 2.072 4.291 ( 0.918 0.000 2.529) 2.690 4.334 ( 3.156 0.000 1.123) 3.350 4.472 ( 0.148 0.000 3.556) 3.559 4.523 ( 3.263 0.000 4.199) 5.318 4.687 ( 0.947 0.000 -3.437) 3.565 5.055 ( -2.775 0.000 0.409) 2.805 5.160 ( -0.729 0.000 -0.312) 0.792 5.242 ( -3.880 0.000 -8.915) 9.722 5.432 ( -3.491 0.000 3.460) 4.915 5.481 ( 0.608 0.000 0.381) 0.718 5.695 ( 2.338 0.000 -2.078) 3.128 5.833 ( 5.969 0.000 1.950) 6.279 5.916 ( 7.226 0.000 -1.947) 7.483 6.577 ( -2.217 0.000 2.661) 3.463 6.763 ( -0.840 0.000 -4.025) 4.111 6.820 ( 6.004 0.000 -2.078) 6.353 6.838 ( 2.184 0.000 3.613) 4.222 6.874 ( -3.818 0.000 1.638) 4.155 7.032 ( -0.430 0.000 -4.588) 4.608 7.098 ( 3.385 0.000 -0.613) 3.440 7.283 ( 7.553 0.000 5.455) 9.317 7.864 ( -5.215 0.000 8.470) 9.946 8.134 ( 1.539 0.000 -3.396) 3.729 8.302 ( -4.857 0.000 1.705) 5.147 8.468 ( -4.736 0.000 -9.344) 10.476 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -7.018 0.000 11.401) 13.387 0.622 ( -5.639 0.000 15.395) 16.395 0.846 ( -4.051 0.000 19.119) 19.544 0.912 ( -3.122 0.000 -3.101) 4.400 0.932 ( 2.087 0.000 -4.080) 4.583 1.226 ( 1.764 0.000 -3.908) 4.288 1.334 ( -4.794 0.000 3.145) 5.733 1.627 ( 1.951 0.000 -4.076) 4.519 1.630 ( 8.760 0.000 -3.635) 9.484 1.789 ( -2.687 0.000 -2.240) 3.498 2.073 ( 11.985 0.000 -8.016) 14.418 2.114 ( 3.651 0.000 7.615) 8.445 2.155 ( -2.056 0.000 7.711) 7.981 2.319 ( 2.974 0.000 -5.192) 5.983 2.453 ( 1.215 0.000 -6.191) 6.309 2.488 ( 3.710 0.000 6.231) 7.252 2.539 ( 0.803 0.000 2.877) 2.987 2.592 ( -4.619 0.000 6.937) 8.334 2.724 ( -7.229 0.000 -1.706) 7.428 2.754 ( -3.746 0.000 -6.521) 7.520 2.842 ( -2.426 0.000 -10.377) 10.657 2.995 ( -5.688 0.000 -0.167) 5.690 3.058 ( 5.823 0.000 3.790) 6.948 3.103 ( 0.768 0.000 0.652) 1.007 3.237 ( 0.133 0.000 5.461) 5.462 3.267 ( -1.089 0.000 -0.415) 1.165 3.306 ( 3.840 0.000 2.577) 4.624 3.375 ( 0.470 0.000 -1.303) 1.385 3.586 ( -5.708 0.000 1.279) 5.849 3.649 ( 2.047 0.000 -6.275) 6.601 3.951 ( -1.991 0.000 -0.807) 2.148 3.963 ( 5.141 0.000 0.752) 5.196 4.088 ( -0.561 0.000 -3.018) 3.070 4.177 ( -0.603 0.000 -0.368) 0.707 4.309 ( -1.826 0.000 2.576) 3.157 4.326 ( 5.004 0.000 5.917) 7.749 4.418 ( 4.250 0.000 -0.183) 4.254 4.495 ( -0.550 0.000 1.204) 1.324 4.610 ( 2.321 0.000 1.689) 2.871 4.630 ( -2.521 0.000 -3.229) 4.096 5.025 ( -1.911 0.000 1.826) 2.643 5.114 ( -1.781 0.000 -0.781) 1.945 5.133 ( -0.981 0.000 -1.672) 1.938 5.346 ( -7.186 0.000 0.549) 7.207 5.548 ( 2.729 0.000 2.842) 3.940 5.707 ( 2.333 0.000 -3.217) 3.974 5.940 ( 3.983 0.000 1.960) 4.439 6.000 ( 4.872 0.000 -1.714) 5.165 6.572 ( -1.929 0.000 3.061) 3.618 6.715 ( 0.713 0.000 -4.598) 4.653 6.821 ( -3.393 0.000 1.172) 3.589 6.873 ( 3.520 0.000 -5.050) 6.156 6.954 ( 4.677 0.000 2.586) 5.344 6.976 ( -1.145 0.000 -0.155) 1.156 7.190 ( 8.578 0.000 0.103) 8.578 7.509 ( 10.816 0.000 3.361) 11.326 7.868 ( -7.112 0.000 9.636) 11.976 8.017 ( -8.115 0.000 -11.637) 14.187 8.249 ( -3.654 0.000 1.726) 4.041 8.262 ( -5.793 0.000 -1.560) 6.000 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -1.305 5.620 11.164) 12.567 0.787 ( -0.842 9.048 9.387) 13.065 0.876 ( 1.276 2.491 -4.858) 5.606 0.916 ( 0.848 4.163 -5.464) 6.922 1.223 ( 6.946 0.263 11.012) 13.022 1.338 ( -0.228 5.344 -3.538) 6.413 1.355 ( 2.894 9.636 5.290) 11.367 1.515 ( -4.248 -1.006 -8.277) 9.358 1.654 ( -1.224 0.884 1.306) 1.996 1.759 ( -0.052 -0.885 -1.495) 1.738 2.013 ( -11.057 -2.303 3.389) 11.792 2.095 ( 6.281 -2.699 -3.701) 7.774 2.143 ( -4.680 -6.047 4.416) 8.830 2.266 ( 4.778 -4.514 -6.886) 9.519 2.361 ( 4.274 -7.729 0.470) 8.844 2.410 ( -1.948 -4.393 -2.680) 5.503 2.542 ( -1.001 -2.701 6.391) 7.010 2.649 ( -0.825 0.191 -3.453) 3.555 2.718 ( -5.199 6.171 0.709) 8.100 2.779 ( 4.658 6.217 -4.538) 8.996 2.805 ( -1.777 2.077 12.452) 12.749 3.036 ( 1.388 2.157 -1.953) 3.224 3.046 ( 4.135 2.329 -0.891) 4.829 3.086 ( -6.768 3.585 -4.677) 8.974 3.320 ( 0.928 1.712 2.078) 2.848 3.348 ( 0.287 1.685 -0.439) 1.764 3.422 ( -2.417 3.907 7.277) 8.605 3.461 ( -1.238 1.033 3.797) 4.125 3.506 ( 4.777 -1.236 -1.951) 5.307 3.601 ( 4.039 5.681 -5.716) 9.015 3.880 ( -2.710 -0.776 -1.989) 3.450 3.921 ( 0.085 -1.323 -4.649) 4.834 4.085 ( 4.117 -5.270 5.692) 8.782 4.184 ( -4.005 -3.653 -3.889) 6.672 4.243 ( 0.929 -5.008 6.054) 7.912 4.335 ( 1.146 -5.771 -3.136) 6.667 4.450 ( -0.799 -1.786 -0.076) 1.958 4.451 ( -1.957 1.821 -0.286) 2.688 4.633 ( 1.482 1.208 0.859) 2.096 4.644 ( -0.705 0.349 0.037) 0.788 5.025 ( 1.826 -1.256 2.299) 3.194 5.070 ( -2.010 -1.864 -2.060) 3.429 5.205 ( -2.574 -1.080 0.481) 2.833 5.229 ( 3.413 1.257 -2.053) 4.176 5.590 ( -1.112 -1.774 3.564) 4.133 5.664 ( 1.480 -3.091 -3.312) 4.766 5.967 ( 1.942 -2.449 1.524) 3.477 6.001 ( -1.375 -2.483 -1.689) 3.303 6.577 ( -0.593 -0.363 4.168) 4.225 6.681 ( 0.690 -0.335 -6.027) 6.075 6.806 ( -1.149 0.547 2.088) 2.445 6.853 ( 2.400 0.565 -2.122) 3.253 6.940 ( -1.516 -1.393 2.036) 2.895 6.981 ( 0.174 -2.489 -1.808) 3.081 7.351 ( 12.785 -3.089 2.177) 13.332 7.391 ( -14.207 -2.536 -2.081) 14.581 7.885 ( -6.504 5.938 9.433) 12.905 8.071 ( 6.290 5.190 -8.710) 11.932 8.265 ( 0.231 3.591 1.071) 3.754 8.289 ( 0.881 5.462 -1.991) 5.880 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 3.384 4.066 6.247) 8.186 0.860 ( 2.391 7.036 -8.867) 11.569 0.877 ( 3.469 7.168 -0.090) 7.964 0.900 ( 3.704 5.517 2.665) 7.159 1.203 ( -4.848 -1.145 -9.226) 10.485 1.332 ( -2.115 5.640 -6.627) 8.956 1.342 ( -3.230 0.318 1.701) 3.664 1.522 ( 5.445 -0.047 7.602) 9.350 1.657 ( -0.753 2.347 -1.474) 2.872 1.755 ( -0.073 4.215 -0.869) 4.305 1.877 ( -6.810 -2.562 7.730) 10.616 2.092 ( -5.095 -4.426 7.592) 10.158 2.209 ( 5.235 -4.236 -5.620) 8.771 2.293 ( 0.827 -4.120 -4.747) 6.340 2.321 ( -2.997 -4.356 -0.424) 5.304 2.457 ( 6.155 -7.856 -0.145) 9.981 2.569 ( -5.594 -3.020 6.255) 8.919 2.601 ( -1.403 2.593 -0.352) 2.969 2.631 ( -3.047 1.821 0.051) 3.550 2.803 ( 2.045 2.729 1.358) 3.670 2.887 ( -3.379 3.676 -5.645) 7.536 2.960 ( 0.023 -0.451 7.916) 7.929 2.998 ( 1.392 3.263 -1.904) 4.026 3.136 ( -0.296 1.764 -1.110) 2.105 3.278 ( -0.588 3.693 1.835) 4.166 3.299 ( -3.173 0.899 -1.586) 3.660 3.458 ( -2.181 6.354 1.402) 6.863 3.480 ( 2.799 6.912 -1.179) 7.550 3.577 ( 1.603 -3.860 -4.660) 6.259 3.651 ( 9.520 2.083 -4.627) 10.788 3.875 ( -0.665 -1.231 4.055) 4.290 3.907 ( 1.623 -0.719 -0.243) 1.791 4.040 ( -3.893 -5.456 -1.191) 6.808 4.218 ( 1.115 0.794 1.323) 1.903 4.275 ( -0.566 -2.535 -0.216) 2.606 4.308 ( 0.804 -7.587 -0.883) 7.681 4.423 ( 0.091 -1.334 1.748) 2.200 4.487 ( 0.844 1.444 0.945) 1.921 4.606 ( -2.095 0.768 -0.645) 2.323 4.648 ( -0.187 1.336 0.198) 1.363 5.037 ( 0.933 -2.822 -2.386) 3.811 5.094 ( 2.636 -0.801 2.208) 3.530 5.140 ( -3.243 0.547 0.359) 3.308 5.319 ( 6.562 -2.395 -0.564) 7.009 5.542 ( -5.550 -4.473 0.324) 7.135 5.658 ( -0.558 0.479 -1.136) 1.354 5.892 ( -4.924 -4.002 -0.696) 6.383 6.048 ( 2.082 1.499 -0.203) 2.573 6.609 ( -0.583 -0.586 1.314) 1.553 6.648 ( 1.608 -0.439 -1.286) 2.105 6.806 ( -0.755 0.998 0.657) 1.414 6.842 ( -0.478 -1.929 -1.867) 2.727 6.938 ( -0.035 0.596 1.205) 1.345 7.008 ( 2.820 -1.498 0.108) 3.195 7.143 ( -12.263 -0.677 -0.568) 12.295 7.549 ( 3.865 -1.067 0.928) 4.116 7.859 ( -3.766 6.010 8.694) 11.219 8.068 ( 2.887 0.758 -6.831) 7.454 8.260 ( 0.633 1.690 -0.259) 1.824 8.343 ( 5.073 4.291 -1.339) 6.778 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.769 9.099 -5.456) 10.638 0.851 ( -1.172 3.180 -6.459) 7.294 0.962 ( 3.538 6.437 0.360) 7.354 0.993 ( 6.052 4.063 1.668) 7.477 1.065 ( 1.517 3.800 -3.324) 5.272 1.260 ( 0.399 6.096 -2.667) 6.666 1.368 ( 5.315 -6.997 -2.307) 9.085 1.520 ( -1.661 -3.673 0.130) 4.033 1.709 ( -2.707 3.473 1.683) 4.713 1.779 ( 0.493 -0.819 2.151) 2.354 1.859 ( -1.994 7.078 4.724) 8.741 2.034 ( -5.283 -4.619 -6.574) 9.615 2.176 ( -2.881 -3.604 6.583) 8.039 2.223 ( -1.028 -2.618 -5.662) 6.322 2.271 ( -7.423 0.688 3.361) 8.177 2.464 ( -2.977 -2.866 -4.412) 6.045 2.535 ( -1.381 -4.652 -1.539) 5.091 2.616 ( 2.599 -4.541 5.070) 7.286 2.683 ( 2.734 -4.251 3.709) 6.269 2.754 ( -0.175 0.963 -4.479) 4.585 2.905 ( 3.461 -1.288 -3.966) 5.419 2.998 ( -2.136 -1.858 5.743) 6.403 3.047 ( 3.054 0.609 -0.355) 3.134 3.127 ( 2.233 2.065 1.685) 3.477 3.240 ( -1.698 -1.684 -1.322) 2.732 3.307 ( 0.904 3.866 -1.509) 4.247 3.418 ( -0.916 2.361 -1.813) 3.115 3.496 ( 0.991 8.760 1.032) 8.877 3.543 ( 1.066 -1.475 -0.538) 1.897 3.729 ( 3.961 2.558 -4.520) 6.531 3.885 ( -2.560 0.189 -0.943) 2.735 3.904 ( 0.405 -3.340 1.702) 3.770 4.062 ( 0.896 -1.975 4.517) 5.011 4.220 ( 0.455 0.273 0.384) 0.656 4.260 ( -1.655 -0.102 -0.160) 1.666 4.325 ( 1.657 -1.424 -1.597) 2.706 4.416 ( -1.242 3.475 -2.252) 4.323 4.499 ( -0.028 -2.124 2.044) 2.948 4.590 ( 1.245 -0.335 -2.828) 3.109 4.653 ( -1.258 3.456 2.967) 4.725 5.034 ( 1.166 -3.683 -2.001) 4.351 5.107 ( 0.972 -0.809 0.577) 1.390 5.170 ( 0.850 0.717 3.714) 3.877 5.407 ( 1.960 -4.156 2.247) 5.115 5.463 ( -1.395 -4.705 -2.172) 5.367 5.616 ( -3.136 2.238 0.479) 3.882 5.825 ( -1.798 -2.710 -1.725) 3.682 6.037 ( -2.900 6.348 -0.513) 6.998 6.593 ( 0.845 -2.146 -2.545) 3.435 6.689 ( -0.106 -0.954 3.034) 3.182 6.775 ( -0.305 0.735 -1.098) 1.356 6.860 ( 1.870 -1.183 1.587) 2.723 6.953 ( -1.760 -0.999 1.922) 2.791 6.984 ( -4.799 2.967 -0.951) 5.722 7.051 ( 2.079 1.016 0.206) 2.323 7.471 ( -8.987 7.999 -1.064) 12.078 7.955 ( 3.465 -4.823 1.079) 6.036 8.034 ( -0.272 -0.759 -1.248) 1.486 8.291 ( 3.357 -1.564 -0.159) 3.707 8.407 ( 3.083 2.578 0.658) 4.072 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -4.077 4.485 -3.604) 7.052 0.795 ( 4.262 6.736 -4.003) 8.920 0.994 ( 1.419 3.908 2.221) 4.714 1.063 ( 5.355 0.012 -6.258) 8.237 1.194 ( 9.305 4.756 2.711) 10.796 1.261 ( 1.629 0.385 -2.030) 2.632 1.460 ( 8.270 -3.965 -0.365) 9.178 1.475 ( -6.173 -1.088 -1.723) 6.501 1.628 ( -8.864 3.814 -2.637) 10.004 1.739 ( -0.475 -1.856 5.066) 5.416 1.843 ( 1.021 2.149 -6.426) 6.853 2.010 ( 0.865 3.536 2.214) 4.261 2.112 ( -6.667 1.390 7.745) 10.314 2.188 ( -2.796 1.190 -3.647) 4.747 2.272 ( 0.169 -3.830 5.429) 6.646 2.325 ( -3.240 -1.090 -7.763) 8.483 2.475 ( -0.463 -3.163 -4.305) 5.362 2.698 ( 5.368 -6.230 -6.734) 10.629 2.739 ( -1.039 -4.254 4.525) 6.297 2.779 ( -4.297 -4.162 5.465) 8.102 2.853 ( 1.469 -1.707 -2.578) 3.423 2.966 ( 0.861 -3.828 -6.311) 7.431 3.079 ( 1.594 -3.399 1.701) 4.122 3.207 ( 0.245 -3.575 4.617) 5.844 3.216 ( 1.165 -5.642 -1.943) 6.080 3.351 ( 3.704 0.182 1.481) 3.994 3.421 ( 2.157 0.117 -2.461) 3.275 3.539 ( 0.309 4.107 3.172) 5.199 3.610 ( 3.406 4.746 6.792) 8.959 3.703 ( 0.479 2.542 -3.242) 4.148 3.820 ( -4.454 -3.112 -0.217) 5.438 3.927 ( 1.228 6.532 -0.301) 6.653 4.099 ( -1.836 -2.363 -0.689) 3.070 4.147 ( -4.185 0.329 -1.506) 4.459 4.283 ( 1.338 1.383 2.155) 2.889 4.338 ( 0.893 1.893 -0.629) 2.186 4.392 ( 0.631 4.193 -0.419) 4.261 4.497 ( 0.032 -1.180 -2.243) 2.534 4.582 ( 2.373 1.223 -4.255) 5.023 4.639 ( -4.260 3.086 1.981) 5.621 5.051 ( 2.291 -3.283 0.368) 4.021 5.156 ( 2.219 -1.489 1.603) 3.116 5.212 ( -0.410 -1.020 4.271) 4.410 5.418 ( -2.313 -1.754 4.369) 5.245 5.467 ( 1.697 -3.254 -1.518) 3.972 5.592 ( -0.298 1.605 0.358) 1.671 5.793 ( 1.125 0.425 -3.003) 3.234 5.949 ( -6.572 9.338 -0.668) 11.438 6.592 ( 1.857 -2.872 -1.922) 3.923 6.679 ( -2.070 -2.012 0.315) 2.904 6.814 ( 2.285 2.832 2.745) 4.558 6.882 ( -0.407 2.107 0.009) 2.146 6.934 ( -1.044 -1.783 4.748) 5.178 6.978 ( 1.677 3.613 -1.188) 4.156 7.076 ( 0.579 2.153 -0.030) 2.230 7.307 ( -8.231 8.581 -1.751) 12.019 7.956 ( 3.065 -5.096 -6.189) 8.583 8.033 ( -2.723 -4.306 2.429) 5.644 8.350 ( 3.803 -3.796 -0.582) 5.405 8.452 ( -0.150 -1.119 2.437) 2.686 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -1.803 1.996 5.191) 5.847 0.830 ( 2.151 5.377 0.006) 5.791 1.043 ( 4.389 -0.560 -10.067) 10.997 1.072 ( 2.916 2.850 1.402) 4.312 1.263 ( 2.488 -4.575 -5.607) 7.653 1.265 ( -4.744 -3.304 -4.381) 7.253 1.379 ( -0.724 1.221 1.032) 1.755 1.492 ( 2.108 3.610 -2.568) 4.906 1.617 ( 0.808 3.739 10.782) 11.440 1.778 ( -0.593 3.220 5.253) 6.190 1.864 ( 5.020 2.542 -0.966) 5.709 1.978 ( -2.214 1.331 -1.786) 3.140 2.050 ( -4.781 2.443 -6.945) 8.779 2.171 ( -4.299 1.798 1.196) 4.811 2.215 ( 0.403 -0.647 -2.114) 2.247 2.268 ( -0.526 -1.200 -0.589) 1.436 2.508 ( 4.490 -4.285 2.965) 6.878 2.663 ( -5.741 -7.890 -0.501) 9.771 2.687 ( 2.249 -3.626 -5.579) 7.024 2.764 ( -1.943 -3.291 0.048) 3.822 2.876 ( -2.770 -6.608 4.442) 8.430 2.976 ( 6.113 -2.289 -4.839) 8.126 3.134 ( 1.502 -3.102 0.668) 3.510 3.182 ( -1.066 -3.330 -2.146) 4.102 3.301 ( 5.799 -11.201 3.739) 13.155 3.390 ( -3.086 -3.289 0.071) 4.510 3.415 ( 2.728 -3.971 0.149) 4.820 3.550 ( -3.917 -1.040 2.101) 4.565 3.704 ( 2.644 4.333 1.570) 5.314 3.749 ( 0.642 3.727 3.455) 5.122 3.768 ( 0.027 0.337 2.052) 2.079 3.953 ( -5.303 1.904 -7.339) 9.253 3.967 ( 5.117 6.110 -0.890) 8.019 4.114 ( -4.288 -0.246 2.023) 4.748 4.331 ( 1.745 4.089 1.375) 4.653 4.337 ( 0.334 4.306 -0.668) 4.370 4.412 ( 0.097 3.457 1.770) 3.885 4.466 ( -0.080 1.749 -2.929) 3.413 4.563 ( -5.325 2.590 0.919) 5.992 4.582 ( 3.024 -1.289 -4.594) 5.649 5.101 ( 2.087 -2.408 1.430) 3.493 5.170 ( -0.464 -0.823 -1.253) 1.569 5.281 ( 0.774 -2.274 6.861) 7.269 5.429 ( -0.626 1.485 0.109) 1.616 5.480 ( -0.586 -2.140 3.600) 4.229 5.599 ( 1.371 -2.052 -1.333) 2.805 5.797 ( 0.836 6.858 -1.730) 7.122 5.830 ( -3.745 8.176 -1.941) 9.200 6.611 ( 2.004 -2.542 -0.840) 3.344 6.645 ( -1.711 -1.200 -0.581) 2.169 6.876 ( 1.972 1.939 2.873) 3.988 6.916 ( 2.497 5.342 0.980) 5.978 6.947 ( -2.628 -0.799 3.902) 4.772 7.004 ( 1.068 2.098 -0.421) 2.392 7.075 ( 1.448 3.417 -1.070) 3.863 7.171 ( -5.826 6.347 -1.843) 8.810 7.965 ( 4.732 -5.434 -4.024) 8.253 7.986 ( -4.780 -5.199 0.800) 7.107 8.405 ( 3.608 -4.462 -0.378) 5.751 8.446 ( -2.729 -3.760 1.155) 4.787 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -8.049 3.180 7.965) 11.762 0.870 ( 4.997 -1.182 -4.117) 6.582 0.969 ( -6.115 0.891 -2.927) 6.838 1.077 ( 2.123 0.755 -3.956) 4.553 1.142 ( -3.880 -2.910 1.203) 4.997 1.284 ( 6.137 -5.034 -2.869) 8.440 1.364 ( -5.803 5.052 5.062) 9.210 1.521 ( 4.084 4.307 -6.934) 9.127 1.745 ( 0.368 2.988 8.713) 9.219 1.808 ( -0.878 3.333 -2.452) 4.230 1.879 ( -6.970 3.862 -4.584) 9.193 1.951 ( 4.573 1.727 1.568) 5.134 2.002 ( 4.230 1.718 4.870) 6.676 2.049 ( 1.718 1.275 -4.531) 5.011 2.245 ( -1.229 -0.051 -0.265) 1.258 2.290 ( 2.742 0.570 0.130) 2.803 2.538 ( -6.854 -6.586 -0.760) 9.536 2.593 ( -1.277 -5.244 4.810) 7.230 2.708 ( 0.799 -5.027 -2.658) 5.742 2.734 ( 3.497 -3.241 0.337) 4.779 2.870 ( -3.799 -5.458 4.377) 7.962 2.993 ( 2.652 -3.163 -6.886) 8.028 3.133 ( -0.455 -2.868 0.261) 2.916 3.180 ( 2.524 -6.005 -0.913) 6.577 3.327 ( -4.095 -5.614 0.126) 6.950 3.396 ( 2.401 -2.503 0.458) 3.499 3.434 ( -7.549 -7.320 -0.638) 10.534 3.542 ( 6.995 -5.765 3.917) 9.875 3.754 ( -1.861 4.950 0.174) 5.291 3.773 ( -2.330 4.344 -4.588) 6.734 3.801 ( 0.621 0.746 -0.311) 1.019 3.831 ( 6.062 1.384 2.979) 6.895 4.014 ( -6.119 2.517 -2.795) 7.183 4.100 ( 6.521 2.030 2.006) 7.119 4.333 ( -1.246 4.762 0.447) 4.943 4.346 ( -0.104 4.359 -0.915) 4.456 4.420 ( -1.658 5.246 1.020) 5.595 4.443 ( -0.322 4.654 -0.103) 4.666 4.494 ( -4.461 0.091 2.999) 5.376 4.609 ( 5.413 -1.479 -3.338) 6.529 5.130 ( -1.866 -1.923 -1.076) 2.888 5.147 ( 1.266 -1.192 0.664) 1.861 5.357 ( -0.286 -1.611 5.628) 5.861 5.392 ( -1.241 -0.086 -3.219) 3.451 5.516 ( -1.254 -0.571 4.670) 4.869 5.599 ( 2.362 -4.855 -4.755) 7.194 5.720 ( -5.510 7.786 3.106) 10.032 5.874 ( 7.752 9.029 -3.583) 12.428 6.598 ( -2.402 -0.789 0.175) 2.535 6.653 ( 3.199 -2.532 -1.205) 4.254 6.903 ( -2.638 3.066 0.598) 4.088 6.934 ( 0.384 5.088 -0.203) 5.107 6.967 ( -1.987 0.185 0.864) 2.175 7.000 ( 2.327 -0.439 1.462) 2.783 7.077 ( -2.776 3.487 -1.537) 4.715 7.140 ( 5.650 6.940 0.529) 8.965 7.905 ( -6.135 -5.126 1.566) 8.147 8.016 ( 5.108 -5.226 -2.182) 7.626 8.394 ( -3.990 -4.247 0.525) 5.851 8.466 ( 3.934 -4.510 -0.568) 6.012 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -7.296 3.201 0.785) 8.006 0.828 ( -9.248 0.298 -1.778) 9.422 0.870 ( -4.477 -0.395 9.875) 10.850 1.083 ( 1.805 0.559 -1.551) 2.445 1.175 ( -2.912 0.840 2.893) 4.190 1.259 ( -0.986 0.462 -1.708) 2.026 1.411 ( 5.445 1.764 0.990) 5.809 1.482 ( -3.030 4.876 -1.104) 5.846 1.675 ( -1.713 3.660 -7.354) 8.391 1.729 ( -5.643 4.294 -0.160) 7.093 1.844 ( 1.552 1.354 1.537) 2.570 2.045 ( 2.344 0.087 -4.190) 4.801 2.088 ( 6.696 2.199 6.303) 9.455 2.181 ( 1.724 -2.854 6.612) 7.405 2.264 ( 5.968 1.226 -2.061) 6.432 2.316 ( 3.903 -1.068 0.133) 4.049 2.449 ( -1.622 -0.950 -2.808) 3.379 2.576 ( -3.899 -5.973 4.442) 8.403 2.711 ( -3.144 -2.542 4.246) 5.863 2.787 ( 2.894 -5.899 -0.548) 6.594 2.884 ( -0.437 -1.276 -1.021) 1.691 2.954 ( 2.153 -4.759 -0.278) 5.231 3.096 ( -4.401 -3.612 -2.342) 6.156 3.194 ( -0.043 -7.938 -0.153) 7.940 3.268 ( -0.597 -1.517 -1.624) 2.302 3.349 ( -3.670 -5.183 1.638) 6.559 3.423 ( -0.518 0.520 -1.192) 1.399 3.590 ( -0.770 3.657 -2.889) 4.723 3.670 ( -2.933 3.058 -1.257) 4.420 3.798 ( -2.150 -0.540 -7.746) 8.057 3.815 ( 3.834 -4.836 0.141) 6.173 3.856 ( -3.116 5.263 5.157) 8.000 3.991 ( 5.379 1.365 3.856) 6.757 4.210 ( 4.805 -1.364 -1.365) 5.178 4.302 ( -2.361 4.138 0.017) 4.764 4.321 ( -1.050 2.659 0.109) 2.860 4.393 ( -2.699 5.094 -0.371) 5.777 4.446 ( 0.247 0.632 2.046) 2.156 4.492 ( -1.047 3.696 4.702) 6.072 4.675 ( 5.145 1.307 -1.822) 5.612 5.071 ( -3.222 -2.556 -1.318) 4.319 5.165 ( -0.467 -0.675 0.198) 0.845 5.327 ( -0.224 -2.362 -5.310) 5.816 5.391 ( -2.460 -2.351 4.326) 5.503 5.522 ( -0.829 0.792 -0.889) 1.451 5.590 ( 2.570 -5.311 -2.717) 6.495 5.709 ( -1.093 2.414 4.342) 5.087 5.972 ( 7.348 9.693 -2.256) 12.371 6.564 ( -1.976 -1.116 0.575) 2.341 6.692 ( 2.458 -3.156 -0.839) 4.088 6.862 ( -1.976 2.663 -1.229) 3.537 6.895 ( -0.946 2.182 -1.060) 2.604 6.945 ( -3.120 4.324 1.008) 5.427 7.025 ( 2.059 -1.278 -3.174) 3.993 7.070 ( 0.545 1.316 0.753) 1.612 7.263 ( 7.526 9.451 2.153) 12.272 7.838 ( -5.627 -4.452 4.808) 8.637 8.073 ( 4.158 -4.377 -1.790) 6.297 8.334 ( -3.987 -3.181 0.672) 5.145 8.511 ( 2.882 -3.467 -2.444) 5.128 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -5.096 6.346 12.745) 15.122 0.689 ( -8.736 6.143 6.170) 12.334 0.944 ( -0.877 0.607 7.458) 7.534 1.009 ( -5.414 1.275 0.791) 5.618 1.099 ( -4.429 6.021 -5.242) 9.129 1.254 ( -5.506 4.446 -2.379) 7.466 1.334 ( 0.930 0.681 1.056) 1.563 1.562 ( 4.967 -0.044 -1.910) 5.321 1.683 ( -2.511 2.221 5.471) 6.416 1.716 ( 4.979 2.687 5.295) 7.748 1.865 ( 4.533 -2.930 -3.846) 6.627 2.033 ( 0.285 1.114 0.668) 1.330 2.164 ( -1.839 -3.166 -1.310) 3.889 2.301 ( 4.469 -1.166 5.842) 7.447 2.328 ( 6.338 1.659 -5.020) 8.253 2.411 ( 4.015 -2.407 1.858) 5.036 2.433 ( 5.342 0.656 -3.627) 6.490 2.570 ( -3.879 -4.903 3.389) 7.111 2.752 ( -1.295 -2.895 7.593) 8.229 2.791 ( -0.074 -5.103 -3.195) 6.021 2.857 ( 2.242 -1.204 -0.348) 2.569 2.952 ( -1.012 -5.097 -2.305) 5.684 3.079 ( 0.439 -2.388 2.579) 3.542 3.156 ( -4.124 -1.582 -1.417) 4.639 3.261 ( 0.269 0.444 -2.206) 2.266 3.305 ( -2.292 3.226 -0.931) 4.065 3.360 ( -2.161 3.789 1.976) 4.789 3.530 ( -3.632 3.233 -1.277) 5.028 3.594 ( -4.365 1.047 -3.952) 5.981 3.674 ( -1.810 3.181 -0.258) 3.669 3.864 ( -0.530 1.920 1.564) 2.532 3.911 ( 3.031 -5.931 1.036) 6.741 4.096 ( 0.820 -3.841 3.272) 5.112 4.197 ( -1.006 1.347 -2.914) 3.364 4.301 ( 2.351 -1.717 -1.281) 3.181 4.308 ( -2.874 3.249 -0.296) 4.348 4.360 ( 0.164 4.775 2.881) 5.579 4.497 ( 2.270 -2.548 2.761) 4.390 4.534 ( 0.476 3.762 2.093) 4.332 4.713 ( 1.738 2.969 -2.656) 4.346 5.014 ( -2.229 -3.235 0.060) 3.929 5.131 ( -2.369 -1.867 -1.238) 3.261 5.267 ( 0.330 0.947 -6.420) 6.498 5.374 ( -4.997 -4.922 3.458) 7.820 5.493 ( 0.860 -0.472 -2.299) 2.500 5.626 ( 3.298 -3.652 -0.467) 4.942 5.766 ( 2.558 -1.862 3.507) 4.723 6.048 ( 3.839 6.858 -1.381) 7.979 6.548 ( -1.420 -1.387 1.579) 2.536 6.719 ( 1.824 -4.282 0.136) 4.656 6.805 ( -1.629 3.001 -2.975) 4.529 6.876 ( -2.372 0.141 -0.324) 2.398 6.956 ( 4.707 4.496 1.391) 6.656 7.018 ( 1.690 -2.177 -3.951) 4.817 7.055 ( -2.313 0.978 -0.203) 2.520 7.432 ( 9.369 10.136 2.769) 14.078 7.826 ( -4.833 -3.762 8.081) 10.140 8.106 ( 2.829 -2.686 -3.172) 5.028 8.279 ( -3.502 -1.201 0.810) 3.790 8.484 ( -0.969 0.641 -6.293) 6.400 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -5.708 5.991 12.994) 15.405 0.714 ( -3.420 8.228 12.846) 15.633 0.937 ( -3.844 3.032 1.202) 5.042 0.949 ( -1.231 4.362 -3.051) 5.464 1.031 ( 0.684 8.264 5.064) 9.716 1.226 ( 2.240 4.614 4.764) 7.000 1.371 ( 1.182 2.171 -1.531) 2.908 1.566 ( 1.893 -4.692 -5.150) 7.220 1.718 ( 2.198 5.677 2.017) 6.413 1.787 ( -2.019 1.449 -5.028) 5.609 1.969 ( 4.817 -6.068 4.350) 8.886 2.067 ( 4.364 -4.367 -0.716) 6.215 2.145 ( -2.271 -3.929 5.101) 6.827 2.292 ( 4.282 -3.221 -6.550) 8.463 2.423 ( 1.326 -2.529 -4.491) 5.322 2.433 ( -4.800 -6.091 -0.893) 7.806 2.486 ( -1.625 -3.236 5.606) 6.674 2.603 ( 2.872 3.525 8.262) 9.431 2.719 ( 2.616 2.634 -3.082) 4.825 2.784 ( 1.488 -2.803 -5.202) 6.094 2.841 ( -4.281 1.160 -4.402) 6.249 2.980 ( 0.372 -0.391 2.328) 2.390 3.074 ( -2.929 0.857 1.349) 3.337 3.106 ( 4.760 2.193 2.479) 5.797 3.257 ( 0.128 2.461 0.775) 2.584 3.293 ( 1.493 2.772 1.149) 3.352 3.424 ( -1.204 8.752 5.204) 10.253 3.459 ( -1.677 0.978 -1.284) 2.327 3.528 ( -1.359 -3.383 -0.363) 3.663 3.617 ( -3.478 3.806 -0.574) 5.188 3.896 ( 2.673 -3.540 1.494) 4.681 3.958 ( 2.706 -1.902 -1.628) 3.686 4.038 ( -5.130 -3.508 -1.824) 6.477 4.183 ( -1.279 -0.485 2.815) 3.130 4.266 ( -2.383 0.582 0.120) 2.456 4.330 ( 2.559 -5.513 -1.788) 6.336 4.421 ( 2.561 1.977 1.861) 3.732 4.510 ( -1.787 -1.252 -1.841) 2.855 4.580 ( 2.683 -1.093 2.569) 3.872 4.673 ( -2.340 2.889 -2.268) 4.355 4.997 ( -0.889 -2.142 1.405) 2.711 5.104 ( 0.103 -0.542 0.006) 0.552 5.202 ( 0.131 3.964 -5.051) 6.422 5.300 ( -6.282 -3.915 1.305) 7.516 5.528 ( 3.424 -2.066 1.365) 4.225 5.667 ( 1.879 -3.274 -0.945) 3.892 5.863 ( 5.519 -4.021 1.879) 7.082 6.058 ( -1.097 2.002 -1.073) 2.522 6.552 ( -0.982 -1.039 2.836) 3.176 6.735 ( 0.672 -0.511 -4.983) 5.054 6.779 ( 1.296 -2.264 1.884) 3.217 6.842 ( -0.644 1.066 -0.318) 1.285 6.965 ( -1.473 1.751 -2.284) 3.233 7.016 ( -1.784 -1.673 -0.767) 2.563 7.122 ( 11.004 -1.277 1.787) 11.221 7.567 ( 0.610 1.384 -0.673) 1.655 7.838 ( -3.710 -0.241 9.157) 9.883 8.088 ( 2.091 3.337 -6.924) 7.966 8.248 ( -0.932 1.856 0.866) 2.250 8.365 ( -4.417 6.670 -4.504) 9.180 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.015 6.673 6.160) 9.082 0.937 ( 0.921 4.399 -0.973) 4.598 0.952 ( 1.684 6.580 0.806) 6.840 0.984 ( -0.453 1.539 -0.557) 1.698 1.192 ( 2.940 -2.995 5.106) 6.610 1.325 ( 0.582 -5.236 -7.278) 8.984 1.499 ( 2.153 3.434 3.966) 5.671 1.588 ( -0.493 6.879 0.868) 6.951 1.702 ( 0.474 2.128 1.139) 2.459 1.826 ( -4.793 4.397 -3.498) 7.385 1.947 ( -7.411 -2.671 2.604) 8.297 1.991 ( 0.810 -6.253 0.461) 6.322 2.077 ( 3.142 -0.970 7.008) 7.741 2.168 ( -0.127 -3.161 -3.709) 4.875 2.273 ( 3.993 1.199 -1.965) 4.609 2.329 ( -2.468 -3.888 -5.739) 7.358 2.526 ( -0.314 0.930 8.633) 8.689 2.642 ( -0.103 -0.824 -0.144) 0.842 2.752 ( -1.006 -0.999 0.503) 1.505 2.843 ( -2.040 -0.628 -4.050) 4.578 2.940 ( -1.473 9.330 5.530) 10.945 3.078 ( 1.508 2.957 -1.691) 3.725 3.106 ( 6.109 3.340 0.514) 6.981 3.186 ( -2.896 5.606 -4.211) 7.587 3.330 ( 1.266 0.476 2.946) 3.242 3.368 ( -0.390 0.202 -1.305) 1.377 3.478 ( 7.158 2.883 3.051) 8.299 3.524 ( -2.215 4.275 0.420) 4.833 3.584 ( -4.599 7.964 7.433) 11.825 3.746 ( 1.590 5.179 -4.360) 6.954 3.840 ( -2.368 -2.923 0.745) 3.835 3.894 ( 0.880 -0.513 -3.075) 3.240 3.990 ( 5.183 -3.747 3.710) 7.394 4.105 ( -6.092 -3.403 -6.431) 9.490 4.122 ( 1.079 -6.447 3.216) 7.285 4.192 ( -0.375 -7.876 -3.161) 8.495 4.435 ( 0.595 -0.158 2.788) 2.855 4.491 ( -1.070 1.654 -2.266) 3.002 4.586 ( 0.986 -4.853 2.237) 5.434 4.621 ( -1.100 -3.135 -1.454) 3.627 5.039 ( 2.178 2.693 2.083) 4.041 5.060 ( -2.645 0.930 -0.597) 2.867 5.174 ( -2.383 -1.520 0.487) 2.868 5.232 ( 3.207 -0.989 -4.643) 5.728 5.531 ( -1.281 -4.103 1.731) 4.634 5.569 ( 1.887 -6.023 -1.609) 6.514 5.915 ( 3.885 -2.310 1.938) 4.917 5.946 ( -4.078 -2.789 -0.892) 5.021 6.582 ( 0.112 0.966 3.523) 3.654 6.667 ( 0.367 -1.054 -4.005) 4.158 6.792 ( 0.246 -0.847 2.436) 2.590 6.866 ( -0.655 -0.690 -3.929) 4.043 6.959 ( 0.338 1.820 0.505) 1.919 6.973 ( -0.034 3.516 -0.676) 3.581 7.279 ( 7.354 -4.092 2.089) 8.671 7.322 ( -8.178 -4.318 -2.281) 9.525 8.000 ( -1.712 5.176 7.511) 9.281 8.129 ( 1.592 1.135 -4.570) 4.971 8.351 ( 0.008 4.473 1.132) 4.614 8.398 ( 0.589 4.279 -4.338) 6.122 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 3.719 5.578 1.220) 6.814 0.962 ( 6.623 3.580 -5.082) 9.084 0.981 ( 2.084 3.750 -0.868) 4.378 1.027 ( 4.587 4.878 1.250) 6.812 1.178 ( -2.360 -1.832 -5.572) 6.323 1.301 ( -0.041 -4.117 1.210) 4.292 1.424 ( -8.012 4.050 -1.007) 9.034 1.602 ( -1.839 5.362 -3.981) 6.927 1.709 ( 1.030 2.248 0.895) 2.630 1.815 ( -4.555 0.941 4.548) 6.505 1.877 ( -0.494 2.170 8.722) 9.002 1.983 ( -2.334 -5.780 2.614) 6.760 2.129 ( 4.132 -4.423 -6.024) 8.540 2.188 ( -3.073 -1.483 -5.419) 6.404 2.251 ( 1.780 -3.531 3.553) 5.316 2.353 ( 4.611 -0.752 1.747) 4.988 2.535 ( -6.065 0.424 0.395) 6.093 2.636 ( 0.389 1.096 0.628) 1.322 2.705 ( -5.762 1.209 0.628) 5.921 2.822 ( 0.080 -0.989 -0.768) 1.255 2.893 ( -8.872 1.430 7.618) 11.781 3.026 ( -0.125 4.933 -5.111) 7.105 3.084 ( -3.012 4.920 -2.264) 6.197 3.157 ( -0.391 -0.151 -2.209) 2.249 3.319 ( -4.937 1.097 -0.408) 5.074 3.350 ( 1.588 2.994 0.148) 3.392 3.474 ( -2.231 -1.365 -6.575) 7.076 3.630 ( 3.771 7.023 -1.204) 8.061 3.654 ( 0.483 8.471 8.494) 12.006 3.720 ( 6.174 3.508 -3.651) 7.985 3.834 ( -0.765 -2.406 1.884) 3.150 3.887 ( 0.857 -1.092 -2.630) 2.974 3.962 ( -0.990 -1.482 0.410) 1.828 4.128 ( -0.685 -9.137 -1.182) 9.238 4.180 ( 6.953 -3.396 2.989) 8.295 4.221 ( 5.213 -4.392 1.628) 7.008 4.413 ( -1.843 0.426 -0.714) 2.022 4.519 ( 1.268 1.301 1.081) 2.114 4.564 ( -0.751 -4.135 -1.227) 4.378 4.652 ( 2.297 -2.150 1.448) 3.464 5.013 ( -1.424 1.611 -1.274) 2.499 5.099 ( 1.830 1.444 1.567) 2.809 5.137 ( -2.558 -0.681 2.023) 3.331 5.261 ( 4.658 -3.161 -2.713) 6.249 5.457 ( -5.216 -3.644 -0.274) 6.369 5.620 ( 2.780 -4.621 -0.787) 5.450 5.847 ( -3.830 -0.111 -0.442) 3.857 6.035 ( 5.750 -2.611 0.792) 6.364 6.606 ( -0.696 0.457 -0.935) 1.252 6.642 ( 1.081 -0.093 0.296) 1.124 6.805 ( -1.172 -1.129 -1.667) 2.330 6.833 ( -0.116 0.132 1.977) 1.985 6.926 ( -1.555 -0.183 -0.022) 1.566 7.039 ( 4.968 4.219 -0.121) 6.519 7.131 ( -8.026 -0.736 -0.615) 8.083 7.480 ( 9.419 -5.444 1.786) 11.025 7.973 ( -8.024 4.710 2.896) 9.744 8.081 ( -1.787 0.432 -2.930) 3.459 8.318 ( -2.405 3.776 -0.113) 4.479 8.416 ( 2.236 2.472 -0.462) 3.365 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 1.857 4.247 -9.995) 11.017 0.948 ( 0.360 5.362 -1.407) 5.556 1.058 ( 3.636 3.418 -4.070) 6.439 1.107 ( 7.759 6.450 -3.082) 10.550 1.167 ( 3.444 3.926 -0.707) 5.270 1.275 ( -2.923 -0.907 3.559) 4.694 1.391 ( 0.981 -2.786 3.384) 4.491 1.443 ( -2.700 3.204 -6.790) 7.979 1.732 ( -4.870 -0.533 -0.229) 4.904 1.786 ( -2.894 1.886 4.027) 5.305 1.923 ( -2.753 -4.122 -5.478) 7.387 1.992 ( 0.758 -1.648 3.952) 4.348 2.079 ( -0.182 -1.474 3.054) 3.396 2.185 ( 1.701 1.387 2.555) 3.368 2.280 ( -5.361 -0.274 4.384) 6.931 2.412 ( 0.332 -0.426 -2.509) 2.566 2.454 ( -1.920 -2.726 -0.032) 3.335 2.556 ( -4.902 -1.942 1.511) 5.485 2.691 ( -1.831 3.732 1.757) 4.512 2.742 ( -1.242 -1.511 -1.942) 2.757 2.883 ( -0.397 -1.576 -3.521) 3.878 2.965 ( -5.726 -1.288 -0.053) 5.869 3.058 ( 1.927 -1.955 -0.653) 2.821 3.097 ( -2.351 -4.628 -4.486) 6.861 3.202 ( -6.317 -1.039 -1.922) 6.684 3.336 ( -3.909 -1.276 0.497) 4.142 3.413 ( 1.817 2.347 -1.939) 3.545 3.615 ( 1.645 6.478 -2.791) 7.243 3.704 ( -0.828 9.763 4.579) 10.815 3.763 ( 0.810 1.205 -4.713) 4.932 3.850 ( -0.750 -0.988 -0.108) 1.245 3.948 ( 7.187 2.708 2.055) 7.951 4.007 ( 2.830 -2.041 1.882) 3.964 4.135 ( 2.083 -6.276 -0.994) 6.687 4.263 ( 2.009 0.339 2.880) 3.528 4.354 ( 5.167 -2.250 2.102) 6.015 4.387 ( 0.053 -0.299 -1.758) 1.784 4.471 ( -3.494 -2.319 -1.428) 4.430 4.600 ( 2.938 1.270 0.053) 3.202 4.706 ( 0.271 0.587 3.664) 3.721 4.988 ( 0.541 0.486 -1.301) 1.491 5.109 ( 0.202 0.877 -0.661) 1.116 5.159 ( -0.614 -1.282 4.566) 4.782 5.315 ( 4.806 -5.623 -2.418) 7.783 5.393 ( -2.415 -0.658 1.288) 2.815 5.633 ( 0.320 -2.284 -1.013) 2.519 5.818 ( 1.074 3.226 -0.638) 3.459 6.112 ( 2.217 0.575 0.531) 2.351 6.578 ( 0.192 0.462 -2.384) 2.436 6.659 ( -0.239 -1.505 0.070) 1.525 6.795 ( 0.376 0.600 1.975) 2.098 6.859 ( 0.642 0.132 2.402) 2.490 6.901 ( -1.919 -1.023 0.641) 2.267 7.053 ( -1.167 1.222 -0.020) 1.690 7.118 ( 4.286 6.259 -0.242) 7.590 7.583 ( -0.187 1.380 0.580) 1.508 7.859 ( -3.922 -3.145 -2.407) 5.574 8.006 ( -5.216 -2.055 -0.004) 5.607 8.288 ( -1.038 1.255 -0.172) 1.637 8.431 ( -0.838 -0.308 0.764) 1.175 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -2.091 6.852 -6.086) 9.400 0.921 ( 2.332 5.495 -4.714) 7.606 1.032 ( 3.735 0.118 -10.172) 10.836 1.132 ( 2.593 5.459 -1.887) 6.332 1.222 ( 2.930 -0.173 -3.179) 4.327 1.268 ( -3.282 -1.686 -0.843) 3.785 1.443 ( 4.412 3.344 -0.039) 5.536 1.488 ( 3.659 -1.227 3.939) 5.514 1.630 ( -3.780 -0.778 -0.244) 3.867 1.774 ( -1.496 3.534 5.887) 7.028 1.835 ( -1.008 -2.188 -1.915) 3.078 2.036 ( -2.089 -5.066 1.749) 5.752 2.112 ( 1.259 3.742 2.981) 4.947 2.198 ( -5.410 -0.409 1.866) 5.737 2.259 ( -2.277 1.608 5.132) 5.840 2.320 ( -5.044 0.427 -3.232) 6.006 2.438 ( 0.759 0.516 -0.605) 1.100 2.549 ( 1.663 -4.879 -0.990) 5.249 2.697 ( -3.052 -1.681 -1.165) 3.674 2.738 ( 0.732 -1.735 3.409) 3.895 2.818 ( -3.187 0.090 -3.777) 4.942 2.847 ( -0.060 -6.555 -5.843) 8.782 2.998 ( -2.916 -5.847 -0.214) 6.538 3.047 ( 0.614 -9.642 -4.778) 10.779 3.157 ( -2.952 -5.089 3.736) 6.970 3.304 ( -1.834 -1.383 1.992) 3.040 3.394 ( -0.958 -0.687 -3.868) 4.044 3.622 ( -0.334 2.900 -0.961) 3.073 3.714 ( -0.370 0.951 -1.692) 1.976 3.780 ( 3.462 9.217 5.442) 11.249 3.840 ( 1.828 5.159 -2.072) 5.852 4.032 ( -0.272 -3.823 0.108) 3.834 4.049 ( 2.689 2.593 -2.953) 4.762 4.147 ( -0.001 0.115 -0.118) 0.165 4.336 ( 2.465 1.308 1.754) 3.296 4.380 ( 1.166 0.303 0.629) 1.359 4.397 ( -1.381 -1.493 0.995) 2.264 4.442 ( 2.231 -0.575 -0.401) 2.339 4.631 ( 0.643 2.685 -0.968) 2.925 4.715 ( -3.409 2.876 2.556) 5.140 5.011 ( 2.453 -0.306 0.446) 2.512 5.126 ( 1.674 -1.356 1.474) 2.610 5.189 ( -0.686 -0.894 2.692) 2.918 5.357 ( 3.297 -7.029 -1.932) 8.001 5.413 ( 1.263 1.769 3.127) 3.809 5.614 ( -0.901 -0.902 -1.433) 1.918 5.865 ( 5.421 7.212 -1.106) 9.089 6.112 ( -3.016 5.741 0.697) 6.522 6.567 ( 0.964 0.301 -1.179) 1.553 6.646 ( -0.491 -1.342 -0.775) 1.626 6.838 ( 0.215 -0.084 3.636) 3.643 6.886 ( -1.317 -1.748 4.673) 5.160 6.925 ( 4.287 2.263 0.073) 4.848 7.061 ( 1.437 2.577 -0.221) 2.959 7.168 ( 2.291 7.512 -0.741) 7.889 7.489 ( -8.637 8.970 -1.291) 12.519 7.812 ( 1.740 -9.258 -4.373) 10.385 7.922 ( -5.468 -6.446 0.949) 8.505 8.281 ( 0.688 -2.528 -0.470) 2.661 8.405 ( -3.128 -3.509 0.605) 4.739 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.953 4.197 -1.560) 4.578 0.918 ( 0.657 2.822 -2.781) 4.016 1.006 ( 4.158 -2.674 -9.154) 10.404 1.128 ( 0.762 1.871 -3.807) 4.310 1.167 ( -3.783 -3.800 -3.837) 6.593 1.211 ( -0.077 -2.209 -5.301) 5.743 1.426 ( -0.186 3.929 2.615) 4.723 1.568 ( 1.604 3.084 1.233) 3.688 1.706 ( 3.336 4.477 6.772) 8.777 1.838 ( -0.608 1.798 5.225) 5.559 1.894 ( 6.498 -1.501 1.373) 6.808 1.971 ( -1.886 1.655 -1.118) 2.747 2.093 ( -6.398 -0.654 -1.570) 6.620 2.174 ( -2.379 -1.226 -1.108) 2.897 2.226 ( -0.290 1.031 2.340) 2.573 2.264 ( -2.033 0.132 3.639) 4.171 2.467 ( 3.213 0.646 -0.294) 3.291 2.543 ( -2.129 -0.974 0.085) 2.343 2.644 ( 1.118 -2.039 -5.037) 5.548 2.665 ( -3.204 -2.569 -6.818) 7.960 2.737 ( -4.305 -7.321 3.145) 9.057 2.884 ( 2.537 -5.343 -0.700) 5.956 3.002 ( -1.271 -11.168 -0.035) 11.240 3.052 ( 5.184 -8.833 1.069) 10.298 3.148 ( -0.363 -5.649 2.214) 6.078 3.284 ( -4.685 -7.383 0.417) 8.754 3.347 ( 3.424 1.303 -2.625) 4.507 3.539 ( -5.266 -1.095 -4.019) 6.714 3.760 ( 4.105 4.828 2.484) 6.807 3.854 ( 0.834 5.636 0.777) 5.750 3.894 ( 1.911 6.899 2.803) 7.688 3.976 ( -1.395 2.194 -5.109) 5.733 4.043 ( -0.828 -0.338 -0.123) 0.902 4.116 ( -1.572 1.225 -1.713) 2.628 4.365 ( 1.226 -2.653 -0.302) 2.938 4.390 ( 0.419 -4.537 -0.129) 4.559 4.436 ( 1.421 5.055 2.901) 5.999 4.519 ( 4.233 4.924 3.487) 7.371 4.586 ( -3.441 2.538 -1.982) 4.713 4.667 ( -3.507 5.226 -0.180) 6.296 5.062 ( 2.072 -1.323 1.635) 2.953 5.145 ( -0.310 -1.551 -1.776) 2.379 5.231 ( 0.369 -2.617 6.179) 6.720 5.377 ( 1.667 -6.406 -2.662) 7.134 5.476 ( 1.963 2.146 2.867) 4.083 5.578 ( -1.179 -0.104 -1.805) 2.159 5.960 ( 7.401 9.671 -1.454) 12.264 6.035 ( -7.129 10.083 1.205) 12.407 6.584 ( 1.676 -0.291 -0.116) 1.705 6.625 ( -0.917 -0.805 -1.023) 1.592 6.889 ( 1.506 -0.222 3.872) 4.160 6.923 ( -1.281 -1.081 4.469) 4.773 7.000 ( 4.284 3.348 -0.106) 5.438 7.065 ( -1.790 3.374 -0.209) 3.825 7.200 ( 4.775 8.155 -1.649) 9.593 7.325 ( -8.370 8.363 -1.788) 11.967 7.816 ( 3.964 -9.156 -3.266) 10.498 7.844 ( -5.200 -8.695 0.650) 10.152 8.301 ( 2.282 -5.272 -0.364) 5.756 8.350 ( -3.446 -5.506 -0.131) 6.497 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -4.200 1.551 3.845) 5.902 0.831 ( -0.634 -2.946 -7.220) 7.824 0.982 ( -2.495 0.666 2.007) 3.271 1.085 ( -0.477 0.506 -4.637) 4.689 1.091 ( -2.529 -2.739 1.321) 3.955 1.202 ( 6.423 -1.474 -2.480) 7.041 1.492 ( -0.808 6.358 1.754) 6.645 1.591 ( 6.123 2.689 -4.668) 8.156 1.788 ( -1.046 1.327 2.593) 3.095 1.832 ( 0.246 -0.832 -1.758) 1.961 1.912 ( -7.212 1.450 2.082) 7.645 2.028 ( 2.540 0.564 2.339) 3.499 2.054 ( 3.382 4.133 3.513) 6.392 2.075 ( -1.476 -0.017 -3.471) 3.772 2.260 ( -1.497 1.340 1.112) 2.296 2.308 ( 2.404 1.894 2.477) 3.937 2.478 ( -2.043 1.948 -2.124) 3.533 2.510 ( -3.333 -1.975 3.779) 5.412 2.594 ( 4.876 -3.377 -3.856) 7.075 2.621 ( 2.159 -7.418 -4.570) 8.977 2.761 ( -0.924 -5.341 8.807) 10.342 2.878 ( 3.098 -7.473 -6.816) 10.578 3.014 ( -1.992 -7.850 4.143) 9.097 3.060 ( -0.781 -6.418 -2.731) 7.018 3.209 ( 0.479 -5.900 -3.354) 6.803 3.243 ( 4.896 -8.089 1.324) 9.547 3.395 ( -4.366 -0.038 -3.356) 5.507 3.451 ( 5.889 -3.423 3.306) 7.572 3.812 ( -4.143 3.292 -1.549) 5.514 3.862 ( 1.360 4.047 0.668) 4.321 3.905 ( -0.569 6.486 -0.555) 6.534 3.918 ( -0.039 6.141 0.396) 6.154 4.039 ( -2.430 0.320 1.855) 3.073 4.099 ( 2.798 -1.394 -1.522) 3.476 4.358 ( -2.329 -3.641 0.481) 4.349 4.393 ( 0.740 -1.885 -0.893) 2.213 4.483 ( -3.824 2.897 -0.586) 4.833 4.517 ( 2.419 5.184 2.669) 6.313 4.580 ( -4.309 6.245 -0.481) 7.603 4.648 ( 4.684 4.427 1.245) 6.564 5.092 ( -1.969 -1.625 -0.366) 2.579 5.119 ( 1.423 -1.533 -0.205) 2.101 5.285 ( -2.260 -4.599 4.923) 7.106 5.355 ( 0.877 -4.250 -4.215) 6.050 5.523 ( -0.567 0.266 1.157) 1.316 5.544 ( 0.638 0.659 -1.317) 1.605 5.921 ( -8.130 11.446 1.996) 14.181 6.064 ( 6.574 9.066 -1.342) 11.278 6.590 ( -1.472 -0.029 -0.638) 1.605 6.618 ( 1.929 -1.149 -0.364) 2.275 6.924 ( -2.241 -0.063 1.331) 2.607 6.959 ( 1.863 -1.196 1.564) 2.710 6.998 ( -4.063 3.124 -0.000) 5.125 7.060 ( 2.094 4.169 0.002) 4.665 7.190 ( -5.267 7.341 -1.058) 9.096 7.304 ( 8.356 8.657 -0.188) 12.033 7.766 ( -5.108 -8.293 1.275) 9.823 7.870 ( 5.611 -9.129 -1.873) 10.878 8.294 ( -2.608 -5.171 0.214) 5.796 8.354 ( 4.160 -6.156 -0.503) 7.446 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -5.092 4.276 2.835) 7.228 0.814 ( -3.075 -1.478 6.744) 7.558 0.933 ( -2.668 6.052 -0.592) 6.640 1.065 ( -5.082 -2.217 3.822) 6.735 1.133 ( 3.412 -2.896 4.954) 6.675 1.298 ( 7.361 1.466 -1.695) 7.694 1.477 ( 1.562 4.454 -4.427) 6.471 1.573 ( -2.816 2.382 -6.414) 7.398 1.725 ( -2.223 1.529 -6.330) 6.881 1.789 ( -3.005 1.868 2.371) 4.259 1.868 ( -1.480 0.796 -0.375) 1.722 2.023 ( 2.187 -2.184 -0.960) 3.237 2.107 ( -1.809 -1.776 4.488) 5.154 2.189 ( 4.017 3.599 6.463) 8.417 2.275 ( 3.909 -0.118 -0.519) 3.945 2.328 ( 3.716 3.449 -3.555) 6.192 2.440 ( -2.727 -2.817 3.242) 5.087 2.536 ( 4.206 5.289 -1.035) 6.836 2.602 ( -2.658 -6.548 4.250) 8.246 2.704 ( 6.703 -0.859 0.810) 6.806 2.828 ( 1.347 -4.107 -4.314) 6.107 2.876 ( 2.834 -3.231 1.018) 4.417 2.969 ( -5.096 -8.061 -0.796) 9.570 3.028 ( 2.208 -9.397 -1.437) 9.759 3.226 ( 4.303 -2.328 -1.906) 5.250 3.281 ( -1.151 -0.183 0.939) 1.497 3.378 ( 4.491 -5.165 -0.994) 6.917 3.591 ( 5.016 -5.831 2.848) 8.202 3.722 ( -2.710 4.145 -2.236) 5.434 3.803 ( -5.222 6.616 0.555) 8.446 3.870 ( -4.476 2.850 -2.618) 5.917 3.939 ( -1.090 4.097 3.607) 5.566 4.033 ( -0.484 1.726 1.674) 2.453 4.153 ( 3.179 -3.866 0.185) 5.008 4.320 ( -2.036 -2.748 0.566) 3.467 4.403 ( 0.780 -2.542 0.779) 2.771 4.421 ( -2.824 4.830 -0.747) 5.645 4.470 ( -4.388 4.270 -3.101) 6.863 4.588 ( 0.434 4.748 2.803) 5.530 4.739 ( 4.234 2.943 0.544) 5.185 5.031 ( -3.390 -0.913 -1.309) 3.747 5.135 ( -0.874 -2.097 0.012) 2.271 5.265 ( -0.512 -3.644 -1.528) 3.984 5.325 ( -1.829 -3.442 -0.750) 3.969 5.485 ( -0.676 -1.687 -3.321) 3.786 5.572 ( 0.504 0.281 2.154) 2.230 5.826 ( -5.882 9.052 2.371) 11.053 6.132 ( 2.711 5.411 -0.995) 6.134 6.560 ( -1.150 0.633 -0.458) 1.390 6.642 ( 1.100 -1.973 -0.263) 2.274 6.892 ( -0.943 0.332 -1.165) 1.535 6.918 ( -3.916 2.279 0.213) 4.536 6.987 ( 0.594 -2.140 -3.630) 4.256 7.051 ( -1.676 3.283 0.570) 3.730 7.152 ( -0.996 7.136 0.623) 7.233 7.459 ( 9.392 9.670 1.214) 13.535 7.717 ( -3.984 -7.449 3.965) 9.332 7.950 ( 6.199 -7.739 -1.595) 10.043 8.270 ( -0.636 -2.497 0.441) 2.614 8.423 ( 4.614 -5.118 -0.905) 6.950 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -4.039 4.780 10.669) 12.369 0.879 ( -1.139 11.055 7.301) 13.298 0.914 ( -1.408 -1.775 6.077) 6.486 1.042 ( -3.838 2.266 5.182) 6.835 1.186 ( -0.208 1.845 -2.733) 3.304 1.354 ( -4.651 1.925 -5.268) 7.286 1.389 ( 4.753 5.075 -0.636) 6.982 1.501 ( 0.685 -4.506 -5.469) 7.119 1.695 ( 3.464 -0.445 -0.066) 3.493 1.783 ( -2.602 2.026 5.425) 6.349 1.861 ( 3.500 0.487 -0.964) 3.663 2.053 ( -1.072 -5.912 0.101) 6.009 2.074 ( -3.232 3.962 0.262) 5.120 2.269 ( 0.846 1.166 2.486) 2.873 2.375 ( 2.096 -2.936 4.916) 6.098 2.386 ( 8.206 3.433 -7.735) 11.788 2.457 ( 0.324 0.148 -5.539) 5.550 2.532 ( 1.559 1.685 2.307) 3.255 2.660 ( 1.336 -4.019 6.092) 7.420 2.762 ( 1.550 1.179 -0.029) 1.948 2.838 ( -0.521 -0.930 -3.777) 3.924 2.876 ( 5.443 -2.373 2.012) 6.269 2.988 ( 2.163 -4.765 5.328) 7.468 3.083 ( 3.933 -5.395 -0.192) 6.679 3.254 ( 2.934 -3.229 -4.863) 6.533 3.316 ( 2.708 2.937 3.811) 5.521 3.405 ( -0.102 -0.162 -1.441) 1.454 3.614 ( -2.133 1.673 -2.424) 3.636 3.676 ( -3.998 6.468 2.608) 8.039 3.773 ( -1.646 5.431 -0.231) 5.680 3.805 ( 2.058 -2.723 2.413) 4.180 3.931 ( -6.097 3.669 3.221) 7.811 4.016 ( -2.105 -4.018 0.592) 4.575 4.162 ( -0.335 -5.133 -3.159) 6.037 4.312 ( -1.813 2.132 -0.354) 2.820 4.355 ( -1.460 -0.559 0.004) 1.564 4.394 ( -3.224 2.567 -1.371) 4.343 4.444 ( 2.809 -3.405 1.284) 4.597 4.590 ( -2.584 2.419 0.963) 3.668 4.773 ( -0.119 0.670 -2.086) 2.194 4.974 ( -1.774 0.574 0.153) 1.871 5.103 ( -1.454 -0.975 -0.143) 1.756 5.259 ( 2.904 -1.628 -4.554) 5.641 5.275 ( -3.979 -4.292 0.721) 5.896 5.448 ( 1.128 -1.712 -3.422) 3.989 5.598 ( -0.582 -1.935 2.397) 3.135 5.787 ( -1.703 4.549 2.173) 5.321 6.125 ( -2.360 0.439 -0.633) 2.483 6.546 ( -0.659 0.980 0.562) 1.308 6.652 ( 0.537 -2.615 0.244) 2.681 6.859 ( -1.378 1.982 -2.508) 3.481 6.881 ( -0.505 1.237 -0.286) 1.366 6.951 ( 1.565 -2.348 -3.823) 4.752 7.050 ( 1.222 1.725 -0.046) 2.114 7.114 ( -4.038 5.610 0.123) 6.913 7.591 ( 2.405 3.229 -0.184) 4.030 7.739 ( 1.189 -2.340 7.370) 7.823 8.037 ( 6.377 -4.206 -1.718) 7.830 8.281 ( 1.233 1.494 0.440) 1.987 8.471 ( 3.097 -2.015 -2.730) 4.594 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -1.069 6.830 10.065) 12.211 0.898 ( -3.636 8.674 6.964) 11.703 0.983 ( -0.317 1.020 1.367) 1.735 0.994 ( -3.688 2.116 2.097) 4.741 1.126 ( -0.295 2.748 -1.890) 3.349 1.344 ( 2.375 -1.640 1.370) 3.195 1.438 ( 2.424 4.335 -0.633) 5.007 1.484 ( 5.176 0.771 -2.842) 5.955 1.756 ( -0.264 -0.231 2.256) 2.283 1.874 ( 0.632 -0.405 11.065) 11.090 1.919 ( 5.280 -0.810 -4.779) 7.168 1.985 ( -2.157 -2.452 -2.022) 3.842 2.031 ( -3.938 -0.118 0.938) 4.050 2.248 ( 0.363 0.512 -7.925) 7.949 2.341 ( -5.038 -0.948 -1.404) 5.315 2.367 ( -1.224 -3.420 0.367) 3.651 2.462 ( 1.478 -0.002 0.379) 1.525 2.627 ( 1.555 -3.407 -0.592) 3.792 2.746 ( 3.315 3.033 5.293) 6.943 2.821 ( 2.649 0.191 4.653) 5.358 2.845 ( 6.431 4.390 -3.698) 8.620 2.991 ( 2.625 0.752 5.125) 5.807 3.092 ( 2.505 0.224 -3.726) 4.495 3.130 ( 5.316 -0.041 3.277) 6.245 3.288 ( 5.708 -0.302 1.090) 5.819 3.360 ( -3.656 3.481 -0.475) 5.071 3.401 ( 2.944 1.056 -0.652) 3.195 3.567 ( -1.214 5.740 2.761) 6.485 3.634 ( -8.369 7.337 5.151) 12.264 3.743 ( -2.043 7.277 -0.351) 7.566 3.840 ( -0.677 -2.401 1.977) 3.183 3.898 ( 3.266 -3.642 -1.774) 5.203 3.975 ( -3.290 -3.256 -0.853) 4.706 4.108 ( -1.329 -6.668 -1.711) 7.011 4.246 ( -2.627 -1.505 -2.151) 3.713 4.283 ( -6.328 -1.834 -4.346) 7.893 4.386 ( 1.618 -0.892 1.701) 2.511 4.513 ( 2.633 -1.566 1.625) 3.468 4.549 ( -2.315 -0.598 0.666) 2.482 4.697 ( -4.337 -1.667 -2.660) 5.354 4.986 ( 1.493 1.960 1.513) 2.892 5.095 ( -0.765 -0.391 0.417) 0.955 5.211 ( -2.680 -2.566 -1.109) 3.873 5.251 ( 1.450 -0.742 -4.329) 4.625 5.467 ( 4.265 -3.305 -1.033) 5.493 5.599 ( -1.997 -4.126 1.361) 4.781 5.820 ( 3.018 0.228 1.981) 3.617 6.050 ( -5.689 -2.731 -0.437) 6.325 6.552 ( -0.225 0.983 2.047) 2.282 6.672 ( 1.104 -3.241 0.411) 3.448 6.803 ( -1.029 1.761 -3.110) 3.719 6.885 ( 1.673 2.920 -1.203) 3.574 6.943 ( 0.784 -3.188 -2.276) 3.995 7.037 ( -4.856 4.670 0.011) 6.737 7.118 ( 7.029 -0.515 0.696) 7.082 7.514 ( -8.854 -5.975 -1.325) 10.763 7.889 ( 4.556 4.640 7.315) 9.787 8.111 ( 4.869 -0.634 -2.415) 5.472 8.315 ( 2.267 4.364 0.249) 4.924 8.457 ( -0.024 2.170 -4.425) 4.929 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.973 3.186 4.801) 5.843 0.967 ( -1.671 -1.944 3.406) 4.263 1.029 ( 0.670 4.698 0.162) 4.748 1.085 ( 2.723 6.210 -1.391) 6.922 1.119 ( 0.401 -3.848 0.438) 3.894 1.210 ( 2.463 -5.978 -6.904) 9.459 1.568 ( 2.112 3.948 6.763) 8.111 1.649 ( 2.969 -3.171 6.520) 7.834 1.721 ( -2.403 3.231 -4.827) 6.286 1.795 ( -2.411 -3.843 -3.850) 5.951 1.927 ( 1.171 -0.130 -0.208) 1.196 1.954 ( -1.143 -0.302 -3.065) 3.285 2.039 ( 1.427 0.522 2.836) 3.218 2.124 ( -4.813 -4.855 -4.224) 8.036 2.348 ( -1.557 6.135 2.257) 6.720 2.379 ( 0.076 4.584 0.271) 4.593 2.554 ( 0.544 1.777 10.710) 10.870 2.607 ( 0.820 -2.953 6.957) 7.602 2.748 ( -2.279 0.862 -6.261) 6.719 2.786 ( -2.014 -3.274 -7.174) 8.139 3.079 ( -0.787 3.514 1.601) 3.940 3.137 ( 3.087 -1.790 -3.166) 4.770 3.154 ( 2.145 5.574 6.255) 8.648 3.230 ( 4.614 -1.299 0.988) 4.894 3.394 ( -2.948 4.740 0.677) 5.623 3.408 ( 1.674 3.424 -0.337) 3.826 3.545 ( 6.351 3.200 0.282) 7.117 3.595 ( -3.696 1.048 -3.157) 4.972 3.701 ( -1.562 2.381 2.343) 3.688 3.713 ( -1.550 -2.592 0.549) 3.069 3.820 ( -3.070 0.065 4.963) 5.836 3.877 ( 0.156 -4.273 1.497) 4.531 3.944 ( 2.465 -0.143 4.117) 4.801 3.999 ( 4.674 -5.270 2.499) 7.474 4.095 ( -1.786 1.469 -9.047) 9.338 4.102 ( -3.961 0.310 -7.698) 8.663 4.425 ( -1.029 -0.657 2.918) 3.163 4.461 ( -0.174 -4.402 0.543) 4.439 4.535 ( -0.253 0.677 -0.019) 0.723 4.559 ( -0.273 -2.044 -1.693) 2.668 5.082 ( -2.574 0.738 4.071) 4.873 5.087 ( -0.585 0.768 4.489) 4.592 5.176 ( 2.532 2.237 -5.071) 6.093 5.211 ( 3.110 -0.816 -6.480) 7.234 5.448 ( 0.417 -3.077 0.106) 3.107 5.459 ( -0.577 -4.061 -0.724) 4.165 5.887 ( 1.502 -0.409 1.606) 2.236 5.900 ( -2.536 -1.647 0.401) 3.050 6.610 ( 0.286 1.643 2.616) 3.102 6.642 ( 0.452 -1.485 0.468) 1.621 6.794 ( -0.141 1.089 -1.751) 2.067 6.829 ( -0.055 -2.220 -4.229) 4.776 7.027 ( 0.200 3.779 1.097) 3.940 7.047 ( -0.235 2.744 -0.840) 2.879 7.204 ( 2.488 -2.486 1.373) 3.776 7.231 ( -3.143 -4.292 -1.322) 5.481 8.083 ( -0.124 3.274 3.582) 4.854 8.128 ( 0.455 -1.174 -0.579) 1.386 8.423 ( -0.090 2.552 -0.100) 2.555 8.445 ( 0.074 0.485 -2.392) 2.442 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 2.483 2.497 4.152) 5.444 1.017 ( 3.431 0.244 3.214) 4.708 1.037 ( 3.297 4.399 -3.926) 6.755 1.093 ( 4.764 1.340 -2.429) 5.513 1.138 ( 0.866 -1.001 -3.504) 3.745 1.199 ( 2.636 -5.180 -2.028) 6.156 1.531 ( -8.343 5.975 -4.341) 11.143 1.633 ( -5.796 -2.900 -5.193) 8.305 1.727 ( 3.238 1.810 3.940) 5.412 1.789 ( 2.419 -3.153 4.497) 6.002 1.896 ( -2.996 -1.380 -0.626) 3.358 1.904 ( -3.212 -1.054 0.213) 3.387 2.069 ( 1.836 1.092 -1.300) 2.501 2.152 ( 3.502 -5.665 5.586) 8.693 2.318 ( -2.766 10.102 1.588) 10.593 2.411 ( 1.206 2.575 1.448) 3.190 2.571 ( -6.412 2.321 -3.503) 7.666 2.616 ( -5.236 -3.065 -3.503) 7.006 2.691 ( -1.045 -0.605 6.385) 6.498 2.731 ( -0.201 -4.878 5.654) 7.470 3.028 ( -10.247 5.586 -2.937) 12.035 3.054 ( -5.516 -0.219 -1.233) 5.657 3.116 ( -1.444 1.170 -4.814) 5.160 3.191 ( -6.523 -0.172 -4.753) 8.073 3.335 ( -4.927 1.892 1.779) 5.569 3.378 ( -5.528 -0.746 -0.604) 5.611 3.541 ( 2.117 7.488 -4.699) 9.090 3.683 ( 3.341 -4.779 2.190) 6.228 3.749 ( 2.123 2.537 0.870) 3.421 3.766 ( 7.336 2.613 1.046) 7.858 3.815 ( 0.912 0.097 2.645) 2.799 3.896 ( 1.248 -1.541 0.357) 2.015 3.955 ( -2.408 -0.381 -3.599) 4.347 3.988 ( 1.495 -1.123 -2.170) 2.864 4.132 ( 7.468 -1.086 2.686) 8.010 4.146 ( 7.025 -2.228 3.172) 8.024 4.404 ( -1.786 -0.657 0.812) 2.069 4.447 ( -2.418 -5.197 0.470) 5.751 4.564 ( 3.772 1.995 0.434) 4.289 4.602 ( 3.616 -2.111 1.027) 4.311 5.074 ( -2.470 2.927 1.097) 3.985 5.102 ( -2.459 -0.649 4.111) 4.834 5.164 ( 2.019 2.485 -3.769) 4.946 5.205 ( 3.599 -2.209 -5.019) 6.559 5.420 ( -1.049 0.717 0.288) 1.303 5.500 ( 2.988 -6.366 -0.040) 7.032 5.882 ( 0.611 3.212 0.396) 3.293 5.961 ( 4.842 -4.385 1.041) 6.615 6.624 ( -0.551 1.090 -0.926) 1.532 6.640 ( 0.195 -0.343 -0.495) 0.633 6.792 ( -0.021 -0.037 0.145) 0.151 6.808 ( 0.672 -1.545 0.606) 1.790 6.973 ( -3.213 3.793 0.038) 4.972 7.048 ( -2.658 -3.204 0.068) 4.164 7.198 ( 4.225 7.099 0.013) 8.262 7.348 ( 8.417 -7.543 1.013) 11.347 8.043 ( -7.199 2.591 0.042) 7.651 8.078 ( -5.018 -0.905 -0.815) 5.164 8.391 ( -2.915 3.192 0.128) 4.325 8.432 ( -0.909 -0.774 0.043) 1.194 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.907 6.131 -9.223) 11.450 1.037 ( 0.413 3.713 1.242) 3.937 1.075 ( 4.270 -1.099 -6.309) 7.697 1.154 ( 3.091 -4.954 -2.614) 6.398 1.218 ( 8.418 3.529 2.378) 9.433 1.276 ( 7.695 -3.059 1.783) 8.471 1.360 ( -8.079 6.452 -0.675) 10.361 1.472 ( -5.966 -3.245 -4.069) 7.917 1.724 ( -3.607 1.105 -4.966) 6.237 1.797 ( -4.389 -4.472 -5.063) 8.055 1.846 ( 0.601 0.209 2.966) 3.033 1.890 ( 0.974 -3.560 3.166) 4.863 2.165 ( 2.483 5.555 7.887) 9.962 2.250 ( -0.093 -2.118 5.034) 5.462 2.304 ( -4.435 8.506 5.098) 10.863 2.422 ( -2.748 -1.173 -2.540) 3.922 2.448 ( -4.240 1.649 0.556) 4.584 2.500 ( -1.846 -2.636 2.655) 4.172 2.716 ( -4.680 -1.786 1.852) 5.340 2.756 ( -2.037 -6.422 1.336) 6.869 2.804 ( -6.931 5.606 -3.977) 9.761 2.917 ( -7.638 -4.886 -7.949) 12.058 3.019 ( -5.851 -1.037 -2.620) 6.494 3.033 ( -3.921 -0.513 -1.750) 4.324 3.229 ( -7.128 2.491 -2.482) 7.948 3.286 ( -5.486 -3.349 1.875) 6.695 3.516 ( 0.786 7.983 -4.548) 9.221 3.677 ( -0.945 -5.645 -5.226) 7.751 3.769 ( 1.421 5.643 0.131) 5.821 3.871 ( 5.259 1.601 1.452) 5.686 3.882 ( 1.471 1.800 0.063) 2.325 3.923 ( 1.918 2.168 0.051) 2.895 4.011 ( 7.764 -3.641 1.388) 8.687 4.021 ( 3.944 -1.912 -1.306) 4.573 4.258 ( 2.727 -1.000 3.259) 4.365 4.278 ( 3.338 -2.512 3.071) 5.185 4.405 ( 0.525 0.359 0.474) 0.793 4.429 ( 1.602 -0.910 0.445) 1.895 4.629 ( 2.592 1.818 1.466) 3.489 4.675 ( 2.078 -2.615 2.827) 4.376 5.043 ( -0.828 3.624 -0.532) 3.755 5.100 ( -1.481 -1.937 1.167) 2.704 5.167 ( 1.141 1.672 -0.108) 2.027 5.213 ( 2.100 -3.771 -2.287) 4.885 5.431 ( 1.420 4.212 0.950) 4.545 5.540 ( 2.189 -5.997 -0.462) 6.401 5.931 ( 4.699 7.002 0.339) 8.439 6.060 ( 5.596 -5.294 0.763) 7.741 6.600 ( 0.123 1.532 -1.899) 2.444 6.631 ( 0.105 -1.461 -1.301) 1.959 6.806 ( -0.443 0.737 2.838) 2.966 6.829 ( -0.923 -1.667 2.962) 3.522 6.949 ( 0.562 3.964 0.043) 4.003 7.025 ( 0.446 -3.229 0.198) 3.266 7.288 ( 5.595 10.096 -0.094) 11.543 7.488 ( 6.983 -9.179 0.639) 11.551 7.878 ( -10.523 3.639 -2.336) 11.377 7.952 ( -8.783 -3.423 -0.753) 9.456 8.335 ( -3.995 3.201 0.059) 5.120 8.398 ( -3.648 -2.766 0.383) 4.594 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 3.454 4.562 -12.611) 13.849 1.011 ( 1.014 -1.187 -12.626) 12.722 1.035 ( -2.021 6.086 0.780) 6.460 1.168 ( -0.106 -5.617 -2.067) 5.986 1.229 ( -1.469 2.797 -6.982) 7.664 1.252 ( -3.926 0.468 -2.988) 4.956 1.435 ( 6.865 0.440 2.739) 7.404 1.488 ( 5.954 -2.441 4.091) 7.625 1.642 ( -0.858 2.539 2.125) 3.420 1.731 ( 0.768 -5.425 0.563) 5.508 1.873 ( -0.218 4.580 2.412) 5.181 1.957 ( 2.015 -3.410 3.155) 5.064 2.196 ( -9.486 3.087 4.913) 11.119 2.221 ( -3.703 3.241 1.560) 5.162 2.262 ( -3.770 -0.322 -0.263) 3.792 2.310 ( -5.828 -1.628 -0.603) 6.081 2.494 ( 1.604 3.960 4.953) 6.542 2.556 ( 1.291 2.744 0.037) 3.033 2.630 ( -2.125 -2.632 -0.469) 3.415 2.702 ( -2.793 -2.818 5.557) 6.828 2.729 ( -4.780 -4.136 -4.935) 8.019 2.754 ( 0.638 -6.991 -2.459) 7.438 2.907 ( -4.184 -1.212 -2.766) 5.160 2.947 ( -5.272 -1.544 -2.068) 5.869 3.106 ( -4.430 2.295 -1.692) 5.268 3.214 ( -5.256 -6.393 0.736) 8.309 3.469 ( 0.291 6.534 -5.511) 8.552 3.593 ( -1.253 -4.799 -6.295) 8.014 3.806 ( 2.900 6.367 0.336) 7.004 3.910 ( 2.438 -0.729 -0.517) 2.597 3.939 ( 2.756 3.969 -1.279) 4.998 3.969 ( 1.464 0.222 2.862) 3.222 4.061 ( 2.552 1.294 -1.561) 3.259 4.128 ( 4.675 -3.138 -0.181) 5.633 4.274 ( -0.431 -2.282 -1.382) 2.702 4.300 ( -1.513 -4.366 0.486) 4.646 4.476 ( 3.480 4.289 4.474) 7.108 4.496 ( 3.265 2.436 2.623) 4.845 4.670 ( 0.018 1.641 1.277) 2.080 4.714 ( -0.705 -2.300 2.399) 3.398 5.041 ( 0.741 2.938 0.074) 3.031 5.098 ( 0.441 -2.010 0.396) 2.096 5.185 ( -0.023 0.531 0.980) 1.115 5.230 ( 1.566 -4.732 -0.078) 4.985 5.478 ( 2.737 4.320 0.885) 5.190 5.563 ( 1.401 -3.816 -0.661) 4.118 6.031 ( 6.531 8.218 0.250) 10.500 6.145 ( 3.205 -2.486 0.856) 4.145 6.590 ( 0.512 1.622 -1.081) 2.015 6.621 ( 0.225 -1.350 -1.171) 1.801 6.837 ( -0.363 0.258 4.146) 4.169 6.853 ( -0.528 -1.360 4.554) 4.782 6.990 ( 4.129 3.913 -0.159) 5.691 7.059 ( 3.122 -2.391 0.014) 3.932 7.359 ( 3.150 11.240 -0.920) 11.709 7.584 ( 4.508 -9.236 -0.509) 10.290 7.666 ( -11.290 4.795 -2.744) 12.569 7.793 ( -8.727 -6.496 -0.839) 10.912 8.269 ( -3.325 1.375 -0.594) 3.646 8.326 ( -4.721 -3.963 -0.329) 6.172 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.578 2.766 -9.814) 10.517 0.888 ( -0.015 -4.324 -13.295) 13.980 1.021 ( -1.797 3.764 2.050) 4.647 1.096 ( -4.432 -3.239 0.525) 5.515 1.159 ( 0.964 0.902 -5.628) 5.781 1.179 ( 2.222 -1.120 -7.567) 7.966 1.526 ( 2.339 5.226 2.790) 6.369 1.593 ( 1.917 -0.795 1.904) 2.816 1.747 ( 5.398 0.168 3.084) 6.219 1.794 ( 3.234 -4.047 -0.050) 5.180 1.918 ( 1.003 4.498 5.707) 7.335 2.002 ( -0.068 -2.200 1.569) 2.703 2.094 ( -5.100 3.934 0.993) 6.517 2.176 ( -4.068 -0.038 -2.521) 4.786 2.206 ( -1.379 -2.081 5.329) 5.885 2.237 ( -1.723 -1.976 3.297) 4.212 2.496 ( -2.823 -0.805 -0.814) 3.046 2.542 ( -0.178 -1.762 -3.549) 3.966 2.602 ( -1.594 1.890 -3.027) 3.908 2.670 ( 0.833 5.003 2.937) 5.861 2.728 ( -0.897 -0.678 -2.593) 2.826 2.787 ( -4.275 -3.367 -4.997) 7.388 2.832 ( 1.917 -3.349 7.860) 8.756 2.891 ( 1.547 -6.116 2.846) 6.921 3.049 ( -0.781 -1.788 -1.099) 2.239 3.130 ( -3.499 -7.549 -2.088) 8.578 3.419 ( 0.620 4.547 -4.345) 6.320 3.499 ( -2.267 -3.123 -5.838) 6.998 3.870 ( 3.279 5.420 1.243) 6.455 3.934 ( 0.758 0.970 -0.829) 1.484 3.968 ( 1.715 1.583 -0.253) 2.348 3.996 ( -0.683 -2.283 1.217) 2.676 4.078 ( 1.014 6.261 -0.576) 6.369 4.142 ( -0.187 0.769 -2.978) 3.081 4.265 ( 1.337 -4.912 -0.783) 5.151 4.284 ( -0.806 -5.018 -0.133) 5.084 4.543 ( 0.763 4.821 3.628) 6.082 4.591 ( 1.473 0.657 3.675) 4.014 4.660 ( -1.047 4.234 0.921) 4.457 4.715 ( -1.427 -0.617 0.731) 1.717 5.061 ( 0.746 1.414 0.965) 1.868 5.106 ( 0.076 -2.483 -0.708) 2.583 5.199 ( -0.038 0.105 2.276) 2.279 5.251 ( 1.168 -5.142 -0.623) 5.309 5.530 ( 2.174 2.742 0.704) 3.570 5.570 ( 0.088 -1.127 -0.685) 1.322 6.132 ( 4.953 6.389 0.147) 8.086 6.172 ( -1.346 2.798 0.971) 3.254 6.591 ( 0.577 0.814 -0.470) 1.103 6.609 ( -0.267 -0.908 -1.000) 1.377 6.888 ( 0.810 0.337 4.318) 4.406 6.902 ( -0.163 -1.012 4.418) 4.535 7.068 ( 4.892 3.412 0.001) 5.965 7.108 ( 1.373 0.149 0.335) 1.421 7.369 ( 1.735 8.687 -2.634) 9.242 7.461 ( -9.059 3.446 -2.848) 10.102 7.637 ( 3.057 -6.724 -0.845) 7.435 7.675 ( -4.666 -7.380 -0.043) 8.731 8.228 ( -0.466 -1.494 -0.660) 1.699 8.252 ( -3.026 -3.685 -0.739) 4.825 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.029 -1.276 -0.472) 1.361 0.761 ( -0.017 -3.324 -6.401) 7.213 1.007 ( -4.414 1.643 4.837) 6.752 1.041 ( -4.671 -1.923 3.014) 5.882 1.129 ( 1.802 3.416 -5.175) 6.457 1.185 ( 6.936 -1.550 -4.422) 8.370 1.591 ( 1.496 3.381 -1.053) 3.844 1.623 ( 4.662 0.204 -2.364) 5.231 1.794 ( -0.757 -0.393 -1.814) 2.004 1.801 ( 0.205 -1.375 -1.153) 1.807 1.961 ( -4.766 3.166 4.643) 7.369 2.014 ( -0.243 -1.813 4.133) 4.520 2.067 ( -3.793 0.712 -2.809) 4.773 2.083 ( 0.601 -0.445 1.652) 1.814 2.299 ( 2.887 2.497 2.096) 4.355 2.327 ( 4.767 -0.380 2.327) 5.318 2.427 ( -1.584 -3.344 1.441) 3.971 2.463 ( 0.331 -6.161 -3.155) 6.930 2.616 ( -2.332 5.909 -2.268) 6.746 2.659 ( -2.247 1.441 2.057) 3.369 2.693 ( 5.215 3.824 0.799) 6.516 2.771 ( 5.614 -2.375 -2.050) 6.431 2.907 ( -2.015 -2.373 4.530) 5.496 2.939 ( -1.076 -4.897 -1.137) 5.141 3.076 ( 4.748 -5.701 -1.510) 7.572 3.092 ( 4.768 -6.673 -3.052) 8.751 3.404 ( -2.424 0.732 -3.129) 4.026 3.417 ( 1.493 -0.601 1.231) 2.026 3.891 ( -3.223 4.047 -0.301) 5.183 3.926 ( 0.472 1.754 -0.748) 1.965 3.974 ( -2.088 0.312 -0.212) 2.122 3.994 ( 0.510 -0.877 0.520) 1.140 4.082 ( -1.015 4.867 1.930) 5.334 4.101 ( -0.991 3.009 -1.985) 3.739 4.261 ( -0.992 -4.441 -0.416) 4.569 4.290 ( 1.840 -6.160 -0.675) 6.465 4.576 ( -2.464 4.510 1.646) 5.396 4.605 ( 0.802 2.358 1.371) 2.843 4.673 ( -2.748 2.847 0.183) 3.961 4.700 ( 1.073 0.273 1.798) 2.112 5.075 ( -1.140 0.053 0.532) 1.259 5.091 ( 0.103 -1.245 -0.421) 1.318 5.218 ( -0.756 -1.093 1.662) 2.129 5.257 ( 1.635 -4.423 -2.096) 5.160 5.545 ( -1.709 1.461 -0.401) 2.283 5.560 ( 0.381 0.139 -0.060) 0.410 6.123 ( -5.639 7.647 0.988) 9.553 6.183 ( 0.832 1.911 -0.019) 2.084 6.592 ( -0.384 0.232 -0.544) 0.705 6.601 ( 0.802 -0.663 -0.262) 1.073 6.926 ( -0.784 0.381 1.235) 1.511 6.938 ( 0.845 -0.839 1.536) 1.943 7.068 ( -5.387 3.618 0.035) 6.490 7.111 ( -1.696 0.191 0.127) 1.712 7.343 ( -1.586 7.835 -0.726) 8.027 7.434 ( 8.384 2.186 -0.816) 8.702 7.621 ( -2.682 -3.953 0.580) 4.812 7.687 ( 4.802 -8.147 -1.067) 9.517 8.221 ( 0.340 -1.474 -0.124) 1.518 8.248 ( 3.291 -3.941 -0.363) 5.147 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -4.301 2.182 5.493) 7.310 0.779 ( 0.242 -2.012 6.499) 6.807 1.001 ( -3.055 1.338 4.938) 5.959 1.051 ( 2.006 -3.271 7.313) 8.258 1.136 ( 2.165 7.222 -0.513) 7.557 1.269 ( 7.185 -4.734 -2.604) 8.990 1.557 ( -1.552 3.097 -7.913) 8.639 1.590 ( -3.532 -0.040 -5.485) 6.524 1.742 ( -0.252 0.874 -5.986) 6.055 1.782 ( 0.612 -2.430 -3.727) 4.491 1.907 ( -2.588 3.500 -1.203) 4.516 1.983 ( -2.122 -2.888 -0.059) 3.584 2.093 ( 0.016 1.870 9.762) 9.940 2.168 ( 1.126 -4.385 10.355) 11.301 2.328 ( 7.051 3.816 -6.481) 10.310 2.360 ( 6.189 -0.152 -5.497) 8.279 2.457 ( -3.287 3.308 3.815) 6.025 2.516 ( 1.576 -1.518 4.866) 5.336 2.623 ( -0.740 0.136 2.876) 2.973 2.671 ( 4.269 -4.462 1.972) 6.482 2.804 ( 2.811 1.679 -4.254) 5.368 2.837 ( 2.823 -0.992 -4.235) 5.185 2.887 ( 3.617 -0.563 -4.422) 5.741 2.908 ( 4.932 1.953 1.929) 5.644 3.125 ( 6.014 -4.475 -3.907) 8.453 3.204 ( 6.815 -9.096 1.347) 11.446 3.375 ( -0.679 5.287 2.459) 5.870 3.481 ( 1.577 -5.219 4.671) 7.179 3.818 ( -3.803 4.880 -0.762) 6.233 3.887 ( -4.747 -1.222 0.772) 4.962 3.924 ( -2.915 4.839 -0.261) 5.655 4.004 ( -0.877 -2.877 0.832) 3.121 4.044 ( -2.991 3.809 -1.128) 4.972 4.099 ( -2.031 -1.517 2.605) 3.635 4.257 ( 0.856 -1.246 0.055) 1.512 4.309 ( 1.612 -5.113 -0.485) 5.383 4.533 ( -2.984 4.839 -0.759) 5.735 4.558 ( -5.310 2.750 -2.516) 6.488 4.664 ( -0.923 3.090 1.655) 3.625 4.731 ( 0.359 -3.214 1.227) 3.459 5.045 ( -1.818 1.932 -0.170) 2.658 5.090 ( -1.050 -2.391 0.507) 2.660 5.218 ( 0.630 -0.323 -0.749) 1.030 5.255 ( 1.101 -3.411 -3.050) 4.706 5.500 ( -2.337 2.594 -0.948) 3.618 5.554 ( -1.249 -2.133 0.197) 2.480 6.022 ( -7.372 9.474 1.045) 12.050 6.156 ( -3.900 -3.175 -0.087) 5.030 6.582 ( -0.408 1.354 -0.226) 1.432 6.609 ( 0.195 -1.424 -0.024) 1.437 6.906 ( -0.542 1.233 -2.036) 2.441 6.940 ( 0.262 -2.021 -2.777) 3.445 6.983 ( -4.185 3.762 0.292) 5.635 7.054 ( -3.439 -2.532 0.444) 4.293 7.336 ( -1.958 10.703 0.980) 10.925 7.545 ( -1.639 -9.652 2.554) 10.118 7.635 ( 8.383 7.824 0.183) 11.468 7.789 ( 8.705 -7.990 -0.542) 11.829 8.258 ( 3.676 1.478 0.336) 3.976 8.322 ( 5.509 -4.646 0.013) 7.207 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -4.878 4.004 12.725) 14.204 0.848 ( -3.177 -4.982 11.184) 12.649 1.066 ( 1.609 6.948 5.552) 9.038 1.152 ( -2.077 8.424 0.851) 8.718 1.171 ( 3.346 -3.043 0.846) 4.601 1.313 ( -2.529 -6.787 -2.496) 7.661 1.426 ( 2.771 2.971 -5.407) 6.763 1.484 ( -0.087 -1.117 -4.674) 4.807 1.691 ( 1.341 1.048 -3.064) 3.505 1.752 ( 0.955 -3.918 -1.810) 4.420 1.884 ( 0.445 2.473 -0.921) 2.676 1.946 ( -1.630 -3.648 -1.819) 4.390 2.201 ( -0.604 5.584 8.926) 10.546 2.294 ( 1.015 -4.082 5.689) 7.075 2.355 ( 1.682 6.064 -2.236) 6.678 2.435 ( 7.228 0.103 -6.857) 9.964 2.472 ( -2.315 2.133 -1.513) 3.493 2.537 ( -1.578 -2.849 2.456) 4.079 2.641 ( 3.918 1.664 4.781) 6.402 2.713 ( 1.452 -4.360 -0.641) 4.640 2.808 ( 3.964 -0.246 0.848) 4.061 2.859 ( 8.023 -2.454 -3.574) 9.120 2.988 ( 7.547 2.513 -0.113) 7.956 3.044 ( 7.307 2.084 -0.694) 7.630 3.192 ( 5.987 0.427 -0.986) 6.083 3.316 ( 5.909 -7.687 -0.644) 9.717 3.420 ( 0.881 6.497 4.674) 8.052 3.557 ( 1.648 -6.360 4.966) 8.235 3.771 ( -1.739 3.887 0.518) 4.290 3.837 ( -3.616 0.122 3.779) 5.232 3.866 ( -4.444 5.188 0.707) 6.868 3.953 ( -4.103 -1.928 -1.975) 4.944 3.987 ( -4.855 2.271 1.549) 5.579 4.049 ( -4.548 -5.218 -1.301) 7.043 4.282 ( 1.210 -0.250 0.059) 1.237 4.343 ( 2.591 -5.409 -0.646) 6.033 4.427 ( -5.601 4.110 -3.060) 7.591 4.458 ( -4.246 1.660 -1.998) 4.978 4.638 ( -3.605 2.979 0.896) 4.762 4.719 ( -2.798 -4.587 -0.637) 5.411 5.024 ( -0.997 3.051 1.129) 3.403 5.077 ( -1.290 -2.063 1.341) 2.778 5.221 ( 0.843 -0.660 -2.124) 2.379 5.230 ( 1.913 -1.234 -4.864) 5.370 5.457 ( -1.258 2.558 -1.272) 3.121 5.531 ( -1.825 -4.190 0.471) 4.595 5.921 ( -5.858 8.004 1.221) 9.994 6.067 ( -6.430 -5.896 0.176) 8.726 6.574 ( -0.523 1.689 0.475) 1.831 6.609 ( -0.278 -1.873 0.519) 1.964 6.878 ( 0.216 0.969 -3.170) 3.322 6.907 ( 0.913 -1.934 -4.101) 4.625 6.945 ( -0.719 4.196 0.277) 4.266 7.025 ( -0.431 -3.330 0.117) 3.360 7.281 ( -5.278 10.140 0.550) 11.445 7.485 ( -6.508 -9.747 1.071) 11.769 7.819 ( 9.848 6.577 2.593) 12.123 7.941 ( 9.032 -5.528 0.325) 10.594 8.334 ( 4.755 3.642 0.131) 5.991 8.411 ( 5.101 -3.763 -0.726) 6.380 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.952 3.490 12.874) 13.373 0.928 ( -2.437 -3.256 10.621) 11.373 1.056 ( -5.132 4.071 0.086) 6.551 1.093 ( -0.440 4.594 -6.332) 7.836 1.140 ( -2.930 1.774 1.618) 3.788 1.256 ( 2.198 -5.808 -7.828) 9.992 1.474 ( 4.251 3.093 0.523) 5.283 1.537 ( 4.852 -1.287 2.061) 5.426 1.732 ( 1.824 0.644 3.250) 3.782 1.803 ( 1.619 -4.921 4.478) 6.847 1.888 ( 2.747 -0.330 -1.721) 3.258 1.909 ( 0.482 -2.319 -1.501) 2.805 2.179 ( -5.257 7.054 -8.267) 12.072 2.284 ( -2.403 -3.519 -3.764) 5.686 2.332 ( -3.766 5.796 -1.286) 7.031 2.393 ( -2.038 1.322 3.847) 4.550 2.453 ( 0.545 1.043 4.374) 4.530 2.538 ( 0.168 -5.144 1.949) 5.503 2.785 ( 3.265 1.281 -0.279) 3.518 2.821 ( 4.332 -1.261 0.976) 4.616 2.929 ( 10.516 5.154 4.554) 12.566 3.006 ( 8.537 -1.291 4.559) 9.764 3.088 ( 4.192 0.262 -4.392) 6.077 3.113 ( 5.674 -1.440 1.035) 5.945 3.321 ( 7.052 3.642 2.610) 8.355 3.386 ( 3.429 -1.997 -0.849) 4.058 3.479 ( 1.639 7.691 1.724) 8.050 3.639 ( 0.825 -3.322 4.401) 5.575 3.760 ( -1.300 0.988 0.520) 1.714 3.766 ( -7.330 3.694 0.772) 8.245 3.834 ( -4.784 -1.683 -0.024) 5.071 3.866 ( -2.389 1.911 2.693) 4.075 3.927 ( -2.871 -1.283 2.227) 3.853 3.961 ( -2.088 -6.295 -2.337) 7.032 4.243 ( -3.528 0.288 -5.935) 6.911 4.259 ( -4.779 0.975 -6.762) 8.338 4.396 ( -0.314 0.048 1.064) 1.111 4.427 ( 2.114 -4.314 2.011) 5.208 4.576 ( -4.013 2.426 -0.105) 4.690 4.635 ( -4.871 -3.415 -1.699) 6.186 5.042 ( 0.315 2.483 3.051) 3.947 5.079 ( -1.863 -1.426 3.419) 4.147 5.194 ( 1.264 1.102 -4.315) 4.630 5.225 ( 3.119 -1.585 -5.267) 6.323 5.436 ( 0.317 0.779 -1.063) 1.355 5.501 ( -2.309 -5.065 -0.028) 5.567 5.869 ( -1.956 4.221 1.517) 4.893 5.967 ( -5.670 -5.105 0.504) 7.646 6.581 ( 0.004 1.778 1.764) 2.504 6.620 ( 0.302 -2.160 1.489) 2.641 6.835 ( -0.529 1.712 -3.821) 4.220 6.876 ( 0.382 -2.439 -4.266) 4.929 6.969 ( 2.878 4.136 0.373) 5.053 7.047 ( 2.513 -3.350 0.112) 4.189 7.195 ( -4.590 7.939 0.220) 9.173 7.364 ( -8.264 -8.561 -0.404) 11.906 7.989 ( 6.142 4.995 3.731) 8.752 8.072 ( 5.800 -3.203 0.583) 6.651 8.400 ( 3.154 3.891 -0.566) 5.041 8.458 ( 2.193 -1.723 -2.134) 3.512 =================== 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 3/18900 10.0 3.573 2.835 6.364 0.000 -0.464 0.000 3/18900 20.0 1.043 1.074 1.963 0.000 -0.086 0.000 3/18900 30.0 0.620 0.664 1.132 0.000 -0.038 0.000 3/18900 40.0 0.461 0.497 0.803 0.000 -0.022 0.000 3/18900 50.0 0.378 0.408 0.627 0.000 -0.014 0.000 3/18900 60.0 0.325 0.352 0.518 0.000 -0.011 0.000 3/18900 70.0 0.289 0.314 0.443 0.000 -0.008 0.000 3/18900 80.0 0.263 0.285 0.389 0.000 -0.007 0.000 3/18900 90.0 0.242 0.262 0.347 0.000 -0.006 0.000 3/18900 100.0 0.224 0.243 0.314 0.000 -0.006 0.000 3/18900 110.0 0.209 0.227 0.287 0.000 -0.005 0.000 3/18900 120.0 0.196 0.213 0.264 0.000 -0.005 0.000 3/18900 130.0 0.185 0.201 0.245 0.000 -0.005 0.000 3/18900 140.0 0.175 0.190 0.229 0.000 -0.005 0.000 3/18900 150.0 0.166 0.180 0.214 0.000 -0.004 0.000 3/18900 160.0 0.158 0.171 0.202 0.000 -0.004 0.000 3/18900 170.0 0.150 0.163 0.190 0.000 -0.004 0.000 3/18900 180.0 0.143 0.155 0.180 0.000 -0.004 0.000 3/18900 190.0 0.137 0.148 0.171 0.000 -0.004 0.000 3/18900 200.0 0.131 0.142 0.163 0.000 -0.004 0.000 3/18900 210.0 0.126 0.136 0.156 0.000 -0.003 0.000 3/18900 220.0 0.121 0.131 0.149 0.000 -0.003 0.000 3/18900 230.0 0.116 0.126 0.143 0.000 -0.003 0.000 3/18900 240.0 0.112 0.121 0.137 0.000 -0.003 0.000 3/18900 250.0 0.108 0.117 0.132 0.000 -0.003 0.000 3/18900 260.0 0.104 0.113 0.127 0.000 -0.003 0.000 3/18900 270.0 0.101 0.109 0.122 0.000 -0.003 0.000 3/18900 280.0 0.098 0.106 0.118 0.000 -0.003 0.000 3/18900 290.0 0.095 0.102 0.114 0.000 -0.003 0.000 3/18900 300.0 0.092 0.099 0.110 0.000 -0.003 0.000 3/18900 310.0 0.089 0.096 0.107 0.000 -0.003 0.000 3/18900 320.0 0.086 0.093 0.104 0.000 -0.002 0.000 3/18900 330.0 0.084 0.091 0.101 0.000 -0.002 0.000 3/18900 340.0 0.082 0.088 0.098 0.000 -0.002 0.000 3/18900 350.0 0.079 0.086 0.095 0.000 -0.002 0.000 3/18900 360.0 0.077 0.084 0.092 0.000 -0.002 0.000 3/18900 370.0 0.075 0.082 0.090 0.000 -0.002 0.000 3/18900 380.0 0.074 0.080 0.088 0.000 -0.002 0.000 3/18900 390.0 0.072 0.078 0.085 0.000 -0.002 0.000 3/18900 400.0 0.070 0.076 0.083 0.000 -0.002 0.000 3/18900 410.0 0.068 0.074 0.081 0.000 -0.002 0.000 3/18900 420.0 0.067 0.072 0.079 0.000 -0.002 0.000 3/18900 430.0 0.065 0.071 0.078 0.000 -0.002 0.000 3/18900 440.0 0.064 0.069 0.076 0.000 -0.002 0.000 3/18900 450.0 0.063 0.068 0.074 0.000 -0.002 0.000 3/18900 460.0 0.061 0.066 0.073 0.000 -0.002 0.000 3/18900 470.0 0.060 0.065 0.071 0.000 -0.002 0.000 3/18900 480.0 0.059 0.064 0.070 0.000 -0.002 0.000 3/18900 490.0 0.058 0.062 0.068 0.000 -0.002 0.000 3/18900 500.0 0.057 0.061 0.067 0.000 -0.002 0.000 3/18900 510.0 0.056 0.060 0.066 0.000 -0.002 0.000 3/18900 520.0 0.054 0.059 0.064 0.000 -0.002 0.000 3/18900 530.0 0.053 0.058 0.063 0.000 -0.002 0.000 3/18900 540.0 0.053 0.057 0.062 0.000 -0.002 0.000 3/18900 550.0 0.052 0.056 0.061 0.000 -0.002 0.000 3/18900 560.0 0.051 0.055 0.060 0.000 -0.001 0.000 3/18900 570.0 0.050 0.054 0.059 0.000 -0.001 0.000 3/18900 580.0 0.049 0.053 0.058 0.000 -0.001 0.000 3/18900 590.0 0.048 0.052 0.057 0.000 -0.001 0.000 3/18900 600.0 0.047 0.051 0.056 0.000 -0.001 0.000 3/18900 610.0 0.047 0.050 0.055 0.000 -0.001 0.000 3/18900 620.0 0.046 0.050 0.054 0.000 -0.001 0.000 3/18900 630.0 0.045 0.049 0.053 0.000 -0.001 0.000 3/18900 640.0 0.045 0.048 0.052 0.000 -0.001 0.000 3/18900 650.0 0.044 0.047 0.052 0.000 -0.001 0.000 3/18900 660.0 0.043 0.047 0.051 0.000 -0.001 0.000 3/18900 670.0 0.043 0.046 0.050 0.000 -0.001 0.000 3/18900 680.0 0.042 0.045 0.049 0.000 -0.001 0.000 3/18900 690.0 0.041 0.045 0.049 0.000 -0.001 0.000 3/18900 700.0 0.041 0.044 0.048 0.000 -0.001 0.000 3/18900 710.0 0.040 0.043 0.047 0.000 -0.001 0.000 3/18900 720.0 0.040 0.043 0.047 0.000 -0.001 0.000 3/18900 730.0 0.039 0.042 0.046 0.000 -0.001 0.000 3/18900 740.0 0.039 0.042 0.045 0.000 -0.001 0.000 3/18900 750.0 0.038 0.041 0.045 0.000 -0.001 0.000 3/18900 760.0 0.038 0.041 0.044 0.000 -0.001 0.000 3/18900 770.0 0.037 0.040 0.044 0.000 -0.001 0.000 3/18900 780.0 0.037 0.040 0.043 0.000 -0.001 0.000 3/18900 790.0 0.036 0.039 0.043 0.000 -0.001 0.000 3/18900 800.0 0.036 0.039 0.042 0.000 -0.001 0.000 3/18900 810.0 0.035 0.038 0.041 0.000 -0.001 0.000 3/18900 820.0 0.035 0.038 0.041 0.000 -0.001 0.000 3/18900 830.0 0.035 0.037 0.040 0.000 -0.001 0.000 3/18900 840.0 0.034 0.037 0.040 0.000 -0.001 0.000 3/18900 850.0 0.034 0.036 0.040 0.000 -0.001 0.000 3/18900 860.0 0.033 0.036 0.039 0.000 -0.001 0.000 3/18900 870.0 0.033 0.036 0.039 0.000 -0.001 0.000 3/18900 880.0 0.033 0.035 0.038 0.000 -0.001 0.000 3/18900 890.0 0.032 0.035 0.038 0.000 -0.001 0.000 3/18900 900.0 0.032 0.034 0.037 0.000 -0.001 0.000 3/18900 910.0 0.032 0.034 0.037 0.000 -0.001 0.000 3/18900 920.0 0.031 0.034 0.037 0.000 -0.001 0.000 3/18900 930.0 0.031 0.033 0.036 0.000 -0.001 0.000 3/18900 940.0 0.031 0.033 0.036 0.000 -0.001 0.000 3/18900 950.0 0.030 0.033 0.035 0.000 -0.001 0.000 3/18900 960.0 0.030 0.032 0.035 0.000 -0.001 0.000 3/18900 970.0 0.030 0.032 0.035 0.000 -0.001 0.000 3/18900 980.0 0.029 0.032 0.034 0.000 -0.001 0.000 3/18900 990.0 0.029 0.031 0.034 0.000 -0.001 0.000 3/18900 1000.0 0.029 0.031 0.034 0.000 -0.001 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:21:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|