----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 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 5.434335300034414 0.000000000000000 0.000000000000000 b 0.000000000000000 5.505704810000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): *1 O 0.24332404583499 0.80423662270474 0.45354806305681 15.999 2 O 0.75667595416501 0.30423662270474 0.04645193694320 15.999 3 O 0.75667595416501 0.19576337729526 0.54645193694320 15.999 4 O 0.24332404583499 0.69576337729526 0.95354806305680 15.999 *5 O 0.14273238006010 0.28827696145385 0.45121648663305 15.999 6 O 0.85726761993990 0.78827696145385 0.04878351336695 15.999 7 O 0.85726761993990 0.71172303854615 0.54878351336695 15.999 8 O 0.14273238006010 0.21172303854615 0.95121648663305 15.999 *9 O 0.33353886023293 0.47275766281061 0.24136390085759 15.999 10 O 0.66646113976707 0.97275766281061 0.25863609914241 15.999 11 O 0.66646113976707 0.52724233718939 0.75863609914241 15.999 12 O 0.33353886023293 0.02724233718939 0.74136390085759 15.999 *13 Na 0.24141139478034 0.04125734022544 0.25037658138068 22.990 14 Na 0.75858860521966 0.54125734022544 0.24962341861932 22.990 15 Na 0.24141139478034 0.45874265977456 0.75037658138068 22.990 16 Na 0.75858860521966 0.95874265977456 0.74962341861932 22.990 *17 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 *19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.434335300034414 0.000000000000000 0.000000000000000 b 0.000000000000000 5.505704810000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): *1 O 0.24332404583499 0.80423662270474 0.45354806305681 15.999 > 1 2 O 0.75667595416501 0.30423662270474 0.04645193694320 15.999 > 2 3 O 0.75667595416501 0.19576337729526 0.54645193694320 15.999 > 3 4 O 0.24332404583499 0.69576337729526 0.95354806305680 15.999 > 4 *5 O 0.14273238006010 0.28827696145385 0.45121648663305 15.999 > 5 6 O 0.85726761993990 0.78827696145385 0.04878351336695 15.999 > 6 7 O 0.85726761993990 0.71172303854615 0.54878351336695 15.999 > 7 8 O 0.14273238006010 0.21172303854615 0.95121648663305 15.999 > 8 *9 O 0.33353886023293 0.47275766281061 0.24136390085759 15.999 > 9 10 O 0.66646113976707 0.97275766281061 0.25863609914241 15.999 > 10 11 O 0.66646113976707 0.52724233718939 0.75863609914241 15.999 > 11 12 O 0.33353886023293 0.02724233718939 0.74136390085759 15.999 > 12 *13 Na 0.24141139478034 0.04125734022544 0.25037658138068 22.990 > 13 14 Na 0.75858860521966 0.54125734022544 0.24962341861932 22.990 > 14 15 Na 0.24141139478034 0.45874265977456 0.75037658138068 22.990 > 15 16 Na 0.75858860521966 0.95874265977456 0.74962341861932 22.990 > 16 *17 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 18 *19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 19 20 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.868670600068828 0.000000000000000 0.000000000000000 b 0.000000000000000 11.011409620000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): *1 O 0.12166202291750 0.40211831135237 0.45354806305681 15.999 > 1 2 O 0.62166202291750 0.40211831135237 0.45354806305681 15.999 > 1 3 O 0.12166202291750 0.90211831135237 0.45354806305681 15.999 > 1 4 O 0.62166202291750 0.90211831135237 0.45354806305681 15.999 > 1 5 O 0.37833797708250 0.15211831135237 0.04645193694320 15.999 > 2 6 O 0.87833797708250 0.15211831135237 0.04645193694320 15.999 > 2 7 O 0.37833797708250 0.65211831135237 0.04645193694320 15.999 > 2 8 O 0.87833797708250 0.65211831135237 0.04645193694320 15.999 > 2 9 O 0.37833797708250 0.09788168864763 0.54645193694320 15.999 > 3 10 O 0.87833797708250 0.09788168864763 0.54645193694320 15.999 > 3 11 O 0.37833797708250 0.59788168864763 0.54645193694320 15.999 > 3 12 O 0.87833797708250 0.59788168864763 0.54645193694320 15.999 > 3 13 O 0.12166202291750 0.34788168864763 0.95354806305680 15.999 > 4 14 O 0.62166202291750 0.34788168864763 0.95354806305680 15.999 > 4 15 O 0.12166202291750 0.84788168864763 0.95354806305680 15.999 > 4 16 O 0.62166202291750 0.84788168864763 0.95354806305680 15.999 > 4 *17 O 0.07136619003005 0.14413848072693 0.45121648663305 15.999 > 5 18 O 0.57136619003005 0.14413848072693 0.45121648663305 15.999 > 5 19 O 0.07136619003005 0.64413848072693 0.45121648663305 15.999 > 5 20 O 0.57136619003005 0.64413848072693 0.45121648663305 15.999 > 5 21 O 0.42863380996995 0.39413848072693 0.04878351336695 15.999 > 6 22 O 0.92863380996995 0.39413848072693 0.04878351336695 15.999 > 6 23 O 0.42863380996995 0.89413848072693 0.04878351336695 15.999 > 6 24 O 0.92863380996995 0.89413848072693 0.04878351336695 15.999 > 6 25 O 0.42863380996995 0.35586151927307 0.54878351336695 15.999 > 7 26 O 0.92863380996995 0.35586151927307 0.54878351336695 15.999 > 7 27 O 0.42863380996995 0.85586151927307 0.54878351336695 15.999 > 7 28 O 0.92863380996995 0.85586151927307 0.54878351336695 15.999 > 7 29 O 0.07136619003005 0.10586151927307 0.95121648663305 15.999 > 8 30 O 0.57136619003005 0.10586151927307 0.95121648663305 15.999 > 8 31 O 0.07136619003005 0.60586151927307 0.95121648663305 15.999 > 8 32 O 0.57136619003005 0.60586151927307 0.95121648663305 15.999 > 8 *33 O 0.16676943011646 0.23637883140531 0.24136390085759 15.999 > 9 34 O 0.66676943011646 0.23637883140531 0.24136390085759 15.999 > 9 35 O 0.16676943011646 0.73637883140531 0.24136390085759 15.999 > 9 36 O 0.66676943011646 0.73637883140531 0.24136390085759 15.999 > 9 37 O 0.33323056988354 0.48637883140531 0.25863609914241 15.999 > 10 38 O 0.83323056988354 0.48637883140531 0.25863609914241 15.999 > 10 39 O 0.33323056988354 0.98637883140531 0.25863609914241 15.999 > 10 40 O 0.83323056988354 0.98637883140531 0.25863609914241 15.999 > 10 41 O 0.33323056988354 0.26362116859469 0.75863609914241 15.999 > 11 42 O 0.83323056988354 0.26362116859469 0.75863609914241 15.999 > 11 43 O 0.33323056988354 0.76362116859469 0.75863609914241 15.999 > 11 44 O 0.83323056988354 0.76362116859469 0.75863609914241 15.999 > 11 45 O 0.16676943011646 0.01362116859469 0.74136390085759 15.999 > 12 46 O 0.66676943011646 0.01362116859469 0.74136390085759 15.999 > 12 47 O 0.16676943011646 0.51362116859469 0.74136390085759 15.999 > 12 48 O 0.66676943011646 0.51362116859469 0.74136390085759 15.999 > 12 *49 Na 0.12070569739017 0.02062867011272 0.25037658138068 22.990 > 13 50 Na 0.62070569739017 0.02062867011272 0.25037658138068 22.990 > 13 51 Na 0.12070569739017 0.52062867011272 0.25037658138068 22.990 > 13 52 Na 0.62070569739017 0.52062867011272 0.25037658138068 22.990 > 13 53 Na 0.37929430260983 0.27062867011272 0.24962341861932 22.990 > 14 54 Na 0.87929430260983 0.27062867011272 0.24962341861932 22.990 > 14 55 Na 0.37929430260983 0.77062867011272 0.24962341861932 22.990 > 14 56 Na 0.87929430260983 0.77062867011272 0.24962341861932 22.990 > 14 57 Na 0.12070569739017 0.22937132988728 0.75037658138068 22.990 > 15 58 Na 0.62070569739017 0.22937132988728 0.75037658138068 22.990 > 15 59 Na 0.12070569739017 0.72937132988728 0.75037658138068 22.990 > 15 60 Na 0.62070569739017 0.72937132988728 0.75037658138068 22.990 > 15 61 Na 0.37929430260983 0.47937132988728 0.74962341861932 22.990 > 16 62 Na 0.87929430260983 0.47937132988728 0.74962341861932 22.990 > 16 63 Na 0.37929430260983 0.97937132988728 0.74962341861932 22.990 > 16 64 Na 0.87929430260983 0.97937132988728 0.74962341861932 22.990 > 16 *65 Sn 0.25000000000000 0.25000000000000 0.50000000000000 118.710 > 17 66 Sn 0.75000000000000 0.25000000000000 0.50000000000000 118.710 > 17 67 Sn 0.25000000000000 0.75000000000000 0.50000000000000 118.710 > 17 68 Sn 0.75000000000000 0.75000000000000 0.50000000000000 118.710 > 17 69 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 18 70 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 18 71 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 18 72 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 18 *73 Te 0.00000000000000 0.25000000000000 0.00000000000000 127.600 > 19 74 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 19 75 Te 0.00000000000000 0.75000000000000 0.00000000000000 127.600 > 19 76 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 19 77 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 20 78 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 20 79 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 20 80 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3417673 0.0000000 -0.0031867 0.0000000 4.4784576 0.0000000 -0.0031864 0.0000000 4.4080892 -------------------------- Born effective charges -------------------------- 1 O -2.3419189 0.8691551 0.1348704 1.0266204 -2.3220595 -0.0091952 0.0715269 -0.0072530 -1.3928373 2 O -2.3419189 -0.8691551 0.1348704 -1.0266204 -2.3220595 0.0091952 0.0715269 0.0072530 -1.3928373 3 O -2.3419189 0.8691551 0.1348704 1.0266204 -2.3220595 -0.0091952 0.0715269 -0.0072530 -1.3928373 4 O -2.3419189 -0.8691551 0.1348704 -1.0266204 -2.3220595 0.0091952 0.0715269 0.0072530 -1.3928373 5 O -2.1911372 -0.9526460 0.0757609 -0.8512529 -2.4360138 0.1525350 -0.0915309 0.0491031 -1.4019004 6 O -2.1911372 0.9526460 0.0757609 0.8512529 -2.4360138 -0.1525350 -0.0915309 -0.0491031 -1.4019004 7 O -2.1911372 -0.9526460 0.0757609 -0.8512529 -2.4360138 0.1525350 -0.0915309 0.0491031 -1.4019004 8 O -2.1911372 0.9526460 0.0757609 0.8512529 -2.4360138 -0.1525350 -0.0915309 -0.0491031 -1.4019004 9 O -1.4652368 0.0953406 -0.0060972 -0.0724605 -1.3159576 0.0089542 -0.1718318 0.0524216 -3.2428292 10 O -1.4652368 -0.0953406 -0.0060972 0.0724605 -1.3159576 -0.0089542 -0.1718318 -0.0524216 -3.2428292 11 O -1.4652368 0.0953406 -0.0060972 -0.0724605 -1.3159576 0.0089542 -0.1718318 0.0524216 -3.2428292 12 O -1.4652368 -0.0953406 -0.0060972 0.0724605 -1.3159576 -0.0089542 -0.1718318 -0.0524216 -3.2428292 13 Na 1.0697239 0.0318282 -0.0104125 0.1118858 1.0728038 -0.0055653 0.0059168 -0.0160327 1.0868208 14 Na 1.0697239 -0.0318282 -0.0104125 -0.1118858 1.0728038 0.0055653 0.0059168 0.0160327 1.0868208 15 Na 1.0697239 -0.0318282 -0.0104125 -0.1118858 1.0728038 0.0055653 0.0059168 0.0160327 1.0868208 16 Na 1.0697239 0.0318282 -0.0104125 0.1118858 1.0728038 -0.0055653 0.0059168 -0.0160327 1.0868208 17 Sn 4.5031018 -0.5000476 0.7762337 0.6636476 4.5648557 -0.1056257 -0.7632309 0.1768458 4.5228340 18 Sn 4.5031018 0.5000476 0.7762337 -0.6636476 4.5648557 0.1056257 -0.7632309 -0.1768458 4.5228340 19 Te 5.3540362 -0.7015316 -1.1644769 1.0450171 5.4375985 0.1621890 1.1350691 -0.2555274 5.3786582 20 Te 5.3540362 0.7015316 -1.1644769 -1.0450171 5.4375985 -0.1621890 1.1350691 0.2555274 5.3786582 ---------------------------------------------------------------------------- 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, 392), data: True |-- (404, 393), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.165 Solver_block: 200 / 640 - Time: 2.160 Solver_block: 300 / 640 - Time: 2.161 Solver_block: 400 / 640 - Time: 2.157 Solver_block: 500 / 640 - Time: 2.158 Solver_block: 600 / 640 - Time: 2.155 Solver_block: 640 / 640 - Time: 0.923 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.926 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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, 392), data: True |-- (404, 393), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:41:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:22]------------------------- 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 5.434335300034414 0.000000000000000 0.000000000000000 b 0.000000000000000 5.505704810000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): 1 O 0.24332404583499 0.80423662270474 0.45354806305681 15.999 2 O 0.75667595416501 0.30423662270474 0.04645193694320 15.999 3 O 0.75667595416501 0.19576337729526 0.54645193694320 15.999 4 O 0.24332404583499 0.69576337729526 0.95354806305680 15.999 5 O 0.14273238006010 0.28827696145385 0.45121648663305 15.999 6 O 0.85726761993990 0.78827696145385 0.04878351336695 15.999 7 O 0.85726761993990 0.71172303854615 0.54878351336695 15.999 8 O 0.14273238006010 0.21172303854615 0.95121648663305 15.999 9 O 0.33353886023293 0.47275766281061 0.24136390085759 15.999 10 O 0.66646113976707 0.97275766281061 0.25863609914241 15.999 11 O 0.66646113976707 0.52724233718939 0.75863609914241 15.999 12 O 0.33353886023293 0.02724233718939 0.74136390085759 15.999 13 Na 0.24141139478034 0.04125734022544 0.25037658138068 22.990 14 Na 0.75858860521966 0.54125734022544 0.24962341861932 22.990 15 Na 0.24141139478034 0.45874265977456 0.75037658138068 22.990 16 Na 0.75858860521966 0.95874265977456 0.74962341861932 22.990 17 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.868670600068828 0.000000000000000 0.000000000000000 b 0.000000000000000 11.011409620000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): 1 O 0.12166202291750 0.40211831135237 0.45354806305681 15.999 > 1 2 O 0.62166202291750 0.40211831135237 0.45354806305681 15.999 > 1 3 O 0.12166202291750 0.90211831135237 0.45354806305681 15.999 > 1 4 O 0.62166202291750 0.90211831135237 0.45354806305681 15.999 > 1 5 O 0.37833797708250 0.15211831135237 0.04645193694320 15.999 > 5 6 O 0.87833797708250 0.15211831135237 0.04645193694320 15.999 > 5 7 O 0.37833797708250 0.65211831135237 0.04645193694320 15.999 > 5 8 O 0.87833797708250 0.65211831135237 0.04645193694320 15.999 > 5 9 O 0.37833797708250 0.09788168864763 0.54645193694320 15.999 > 9 10 O 0.87833797708250 0.09788168864763 0.54645193694320 15.999 > 9 11 O 0.37833797708250 0.59788168864763 0.54645193694320 15.999 > 9 12 O 0.87833797708250 0.59788168864763 0.54645193694320 15.999 > 9 13 O 0.12166202291750 0.34788168864763 0.95354806305680 15.999 > 13 14 O 0.62166202291750 0.34788168864763 0.95354806305680 15.999 > 13 15 O 0.12166202291750 0.84788168864763 0.95354806305680 15.999 > 13 16 O 0.62166202291750 0.84788168864763 0.95354806305680 15.999 > 13 17 O 0.07136619003005 0.14413848072693 0.45121648663305 15.999 > 17 18 O 0.57136619003005 0.14413848072693 0.45121648663305 15.999 > 17 19 O 0.07136619003005 0.64413848072693 0.45121648663305 15.999 > 17 20 O 0.57136619003005 0.64413848072693 0.45121648663305 15.999 > 17 21 O 0.42863380996995 0.39413848072693 0.04878351336695 15.999 > 21 22 O 0.92863380996995 0.39413848072693 0.04878351336695 15.999 > 21 23 O 0.42863380996995 0.89413848072693 0.04878351336695 15.999 > 21 24 O 0.92863380996995 0.89413848072693 0.04878351336695 15.999 > 21 25 O 0.42863380996995 0.35586151927307 0.54878351336695 15.999 > 25 26 O 0.92863380996995 0.35586151927307 0.54878351336695 15.999 > 25 27 O 0.42863380996995 0.85586151927307 0.54878351336695 15.999 > 25 28 O 0.92863380996995 0.85586151927307 0.54878351336695 15.999 > 25 29 O 0.07136619003005 0.10586151927307 0.95121648663305 15.999 > 29 30 O 0.57136619003005 0.10586151927307 0.95121648663305 15.999 > 29 31 O 0.07136619003005 0.60586151927307 0.95121648663305 15.999 > 29 32 O 0.57136619003005 0.60586151927307 0.95121648663305 15.999 > 29 33 O 0.16676943011646 0.23637883140531 0.24136390085759 15.999 > 33 34 O 0.66676943011646 0.23637883140531 0.24136390085759 15.999 > 33 35 O 0.16676943011646 0.73637883140531 0.24136390085759 15.999 > 33 36 O 0.66676943011646 0.73637883140531 0.24136390085759 15.999 > 33 37 O 0.33323056988354 0.48637883140531 0.25863609914241 15.999 > 37 38 O 0.83323056988354 0.48637883140531 0.25863609914241 15.999 > 37 39 O 0.33323056988354 0.98637883140531 0.25863609914241 15.999 > 37 40 O 0.83323056988354 0.98637883140531 0.25863609914241 15.999 > 37 41 O 0.33323056988354 0.26362116859469 0.75863609914241 15.999 > 41 42 O 0.83323056988354 0.26362116859469 0.75863609914241 15.999 > 41 43 O 0.33323056988354 0.76362116859469 0.75863609914241 15.999 > 41 44 O 0.83323056988354 0.76362116859469 0.75863609914241 15.999 > 41 45 O 0.16676943011646 0.01362116859469 0.74136390085759 15.999 > 45 46 O 0.66676943011646 0.01362116859469 0.74136390085759 15.999 > 45 47 O 0.16676943011646 0.51362116859469 0.74136390085759 15.999 > 45 48 O 0.66676943011646 0.51362116859469 0.74136390085759 15.999 > 45 49 Na 0.12070569739017 0.02062867011272 0.25037658138068 22.990 > 49 50 Na 0.62070569739017 0.02062867011272 0.25037658138068 22.990 > 49 51 Na 0.12070569739017 0.52062867011272 0.25037658138068 22.990 > 49 52 Na 0.62070569739017 0.52062867011272 0.25037658138068 22.990 > 49 53 Na 0.37929430260983 0.27062867011272 0.24962341861932 22.990 > 53 54 Na 0.87929430260983 0.27062867011272 0.24962341861932 22.990 > 53 55 Na 0.37929430260983 0.77062867011272 0.24962341861932 22.990 > 53 56 Na 0.87929430260983 0.77062867011272 0.24962341861932 22.990 > 53 57 Na 0.12070569739017 0.22937132988728 0.75037658138068 22.990 > 57 58 Na 0.62070569739017 0.22937132988728 0.75037658138068 22.990 > 57 59 Na 0.12070569739017 0.72937132988728 0.75037658138068 22.990 > 57 60 Na 0.62070569739017 0.72937132988728 0.75037658138068 22.990 > 57 61 Na 0.37929430260983 0.47937132988728 0.74962341861932 22.990 > 61 62 Na 0.87929430260983 0.47937132988728 0.74962341861932 22.990 > 61 63 Na 0.37929430260983 0.97937132988728 0.74962341861932 22.990 > 61 64 Na 0.87929430260983 0.97937132988728 0.74962341861932 22.990 > 61 65 Sn 0.25000000000000 0.25000000000000 0.50000000000000 118.710 > 65 66 Sn 0.75000000000000 0.25000000000000 0.50000000000000 118.710 > 65 67 Sn 0.25000000000000 0.75000000000000 0.50000000000000 118.710 > 65 68 Sn 0.75000000000000 0.75000000000000 0.50000000000000 118.710 > 65 69 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 69 70 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 69 71 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 69 72 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 69 73 Te 0.00000000000000 0.25000000000000 0.00000000000000 127.600 > 73 74 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 73 75 Te 0.00000000000000 0.75000000000000 0.00000000000000 127.600 > 73 76 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 73 77 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 77 78 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 77 79 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 77 80 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3417673 0.0000000 -0.0031867 0.0000000 4.4784576 0.0000000 -0.0031864 0.0000000 4.4080892 -------------------------- Born effective charges -------------------------- 1 O -2.3419189 0.8691551 0.1348704 1.0266204 -2.3220595 -0.0091952 0.0715269 -0.0072530 -1.3928373 2 O -2.3419189 -0.8691551 0.1348704 -1.0266204 -2.3220595 0.0091952 0.0715269 0.0072530 -1.3928373 3 O -2.3419189 0.8691551 0.1348704 1.0266204 -2.3220595 -0.0091952 0.0715269 -0.0072530 -1.3928373 4 O -2.3419189 -0.8691551 0.1348704 -1.0266204 -2.3220595 0.0091952 0.0715269 0.0072530 -1.3928373 5 O -2.1911372 -0.9526460 0.0757609 -0.8512529 -2.4360138 0.1525350 -0.0915309 0.0491031 -1.4019004 6 O -2.1911372 0.9526460 0.0757609 0.8512529 -2.4360138 -0.1525350 -0.0915309 -0.0491031 -1.4019004 7 O -2.1911372 -0.9526460 0.0757609 -0.8512529 -2.4360138 0.1525350 -0.0915309 0.0491031 -1.4019004 8 O -2.1911372 0.9526460 0.0757609 0.8512529 -2.4360138 -0.1525350 -0.0915309 -0.0491031 -1.4019004 9 O -1.4652368 0.0953406 -0.0060972 -0.0724605 -1.3159576 0.0089542 -0.1718318 0.0524216 -3.2428292 10 O -1.4652368 -0.0953406 -0.0060972 0.0724605 -1.3159576 -0.0089542 -0.1718318 -0.0524216 -3.2428292 11 O -1.4652368 0.0953406 -0.0060972 -0.0724605 -1.3159576 0.0089542 -0.1718318 0.0524216 -3.2428292 12 O -1.4652368 -0.0953406 -0.0060972 0.0724605 -1.3159576 -0.0089542 -0.1718318 -0.0524216 -3.2428292 13 Na 1.0697239 0.0318282 -0.0104125 0.1118858 1.0728038 -0.0055653 0.0059168 -0.0160327 1.0868208 14 Na 1.0697239 -0.0318282 -0.0104125 -0.1118858 1.0728038 0.0055653 0.0059168 0.0160327 1.0868208 15 Na 1.0697239 -0.0318282 -0.0104125 -0.1118858 1.0728038 0.0055653 0.0059168 0.0160327 1.0868208 16 Na 1.0697239 0.0318282 -0.0104125 0.1118858 1.0728038 -0.0055653 0.0059168 -0.0160327 1.0868208 17 Sn 4.5031018 -0.5000476 0.7762337 0.6636476 4.5648557 -0.1056257 -0.7632309 0.1768458 4.5228340 18 Sn 4.5031018 0.5000476 0.7762337 -0.6636476 4.5648557 0.1056257 -0.7632309 -0.1768458 4.5228340 19 Te 5.3540362 -0.7015316 -1.1644769 1.0450171 5.4375985 0.1621890 1.1350691 -0.2555274 5.3786582 20 Te 5.3540362 0.7015316 -1.1644769 -1.0450171 5.4375985 -0.1621890 1.1350691 0.2555274 5.3786582 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000030 (xz) 0.00000030 (xz) 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 2026-01-07 23:41:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:38]------------------------- 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 5.434335300034414 0.000000000000000 0.000000000000000 b 0.000000000000000 5.505704810000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): 1 O 0.24332404583499 0.80423662270474 0.45354806305681 15.999 2 O 0.75667595416501 0.30423662270474 0.04645193694320 15.999 3 O 0.75667595416501 0.19576337729526 0.54645193694320 15.999 4 O 0.24332404583499 0.69576337729526 0.95354806305680 15.999 5 O 0.14273238006010 0.28827696145385 0.45121648663305 15.999 6 O 0.85726761993990 0.78827696145385 0.04878351336695 15.999 7 O 0.85726761993990 0.71172303854615 0.54878351336695 15.999 8 O 0.14273238006010 0.21172303854615 0.95121648663305 15.999 9 O 0.33353886023293 0.47275766281061 0.24136390085759 15.999 10 O 0.66646113976707 0.97275766281061 0.25863609914241 15.999 11 O 0.66646113976707 0.52724233718939 0.75863609914241 15.999 12 O 0.33353886023293 0.02724233718939 0.74136390085759 15.999 13 Na 0.24141139478034 0.04125734022544 0.25037658138068 22.990 14 Na 0.75858860521966 0.54125734022544 0.24962341861932 22.990 15 Na 0.24141139478034 0.45874265977456 0.75037658138068 22.990 16 Na 0.75858860521966 0.95874265977456 0.74962341861932 22.990 17 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 19 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.868670600068828 0.000000000000000 0.000000000000000 b 0.000000000000000 11.011409620000000 0.000000000000000 c -5.434003027656848 0.000000000000000 7.739116578866502 Atomic positions (fractional): 1 O 0.12166202291750 0.40211831135237 0.45354806305681 15.999 > 1 2 O 0.62166202291750 0.40211831135237 0.45354806305681 15.999 > 1 3 O 0.12166202291750 0.90211831135237 0.45354806305681 15.999 > 1 4 O 0.62166202291750 0.90211831135237 0.45354806305681 15.999 > 1 5 O 0.37833797708250 0.15211831135237 0.04645193694320 15.999 > 5 6 O 0.87833797708250 0.15211831135237 0.04645193694320 15.999 > 5 7 O 0.37833797708250 0.65211831135237 0.04645193694320 15.999 > 5 8 O 0.87833797708250 0.65211831135237 0.04645193694320 15.999 > 5 9 O 0.37833797708250 0.09788168864763 0.54645193694320 15.999 > 9 10 O 0.87833797708250 0.09788168864763 0.54645193694320 15.999 > 9 11 O 0.37833797708250 0.59788168864763 0.54645193694320 15.999 > 9 12 O 0.87833797708250 0.59788168864763 0.54645193694320 15.999 > 9 13 O 0.12166202291750 0.34788168864763 0.95354806305680 15.999 > 13 14 O 0.62166202291750 0.34788168864763 0.95354806305680 15.999 > 13 15 O 0.12166202291750 0.84788168864763 0.95354806305680 15.999 > 13 16 O 0.62166202291750 0.84788168864763 0.95354806305680 15.999 > 13 17 O 0.07136619003005 0.14413848072693 0.45121648663305 15.999 > 17 18 O 0.57136619003005 0.14413848072693 0.45121648663305 15.999 > 17 19 O 0.07136619003005 0.64413848072693 0.45121648663305 15.999 > 17 20 O 0.57136619003005 0.64413848072693 0.45121648663305 15.999 > 17 21 O 0.42863380996995 0.39413848072693 0.04878351336695 15.999 > 21 22 O 0.92863380996995 0.39413848072693 0.04878351336695 15.999 > 21 23 O 0.42863380996995 0.89413848072693 0.04878351336695 15.999 > 21 24 O 0.92863380996995 0.89413848072693 0.04878351336695 15.999 > 21 25 O 0.42863380996995 0.35586151927307 0.54878351336695 15.999 > 25 26 O 0.92863380996995 0.35586151927307 0.54878351336695 15.999 > 25 27 O 0.42863380996995 0.85586151927307 0.54878351336695 15.999 > 25 28 O 0.92863380996995 0.85586151927307 0.54878351336695 15.999 > 25 29 O 0.07136619003005 0.10586151927307 0.95121648663305 15.999 > 29 30 O 0.57136619003005 0.10586151927307 0.95121648663305 15.999 > 29 31 O 0.07136619003005 0.60586151927307 0.95121648663305 15.999 > 29 32 O 0.57136619003005 0.60586151927307 0.95121648663305 15.999 > 29 33 O 0.16676943011646 0.23637883140531 0.24136390085759 15.999 > 33 34 O 0.66676943011646 0.23637883140531 0.24136390085759 15.999 > 33 35 O 0.16676943011646 0.73637883140531 0.24136390085759 15.999 > 33 36 O 0.66676943011646 0.73637883140531 0.24136390085759 15.999 > 33 37 O 0.33323056988354 0.48637883140531 0.25863609914241 15.999 > 37 38 O 0.83323056988354 0.48637883140531 0.25863609914241 15.999 > 37 39 O 0.33323056988354 0.98637883140531 0.25863609914241 15.999 > 37 40 O 0.83323056988354 0.98637883140531 0.25863609914241 15.999 > 37 41 O 0.33323056988354 0.26362116859469 0.75863609914241 15.999 > 41 42 O 0.83323056988354 0.26362116859469 0.75863609914241 15.999 > 41 43 O 0.33323056988354 0.76362116859469 0.75863609914241 15.999 > 41 44 O 0.83323056988354 0.76362116859469 0.75863609914241 15.999 > 41 45 O 0.16676943011646 0.01362116859469 0.74136390085759 15.999 > 45 46 O 0.66676943011646 0.01362116859469 0.74136390085759 15.999 > 45 47 O 0.16676943011646 0.51362116859469 0.74136390085759 15.999 > 45 48 O 0.66676943011646 0.51362116859469 0.74136390085759 15.999 > 45 49 Na 0.12070569739017 0.02062867011272 0.25037658138068 22.990 > 49 50 Na 0.62070569739017 0.02062867011272 0.25037658138068 22.990 > 49 51 Na 0.12070569739017 0.52062867011272 0.25037658138068 22.990 > 49 52 Na 0.62070569739017 0.52062867011272 0.25037658138068 22.990 > 49 53 Na 0.37929430260983 0.27062867011272 0.24962341861932 22.990 > 53 54 Na 0.87929430260983 0.27062867011272 0.24962341861932 22.990 > 53 55 Na 0.37929430260983 0.77062867011272 0.24962341861932 22.990 > 53 56 Na 0.87929430260983 0.77062867011272 0.24962341861932 22.990 > 53 57 Na 0.12070569739017 0.22937132988728 0.75037658138068 22.990 > 57 58 Na 0.62070569739017 0.22937132988728 0.75037658138068 22.990 > 57 59 Na 0.12070569739017 0.72937132988728 0.75037658138068 22.990 > 57 60 Na 0.62070569739017 0.72937132988728 0.75037658138068 22.990 > 57 61 Na 0.37929430260983 0.47937132988728 0.74962341861932 22.990 > 61 62 Na 0.87929430260983 0.47937132988728 0.74962341861932 22.990 > 61 63 Na 0.37929430260983 0.97937132988728 0.74962341861932 22.990 > 61 64 Na 0.87929430260983 0.97937132988728 0.74962341861932 22.990 > 61 65 Sn 0.25000000000000 0.25000000000000 0.50000000000000 118.710 > 65 66 Sn 0.75000000000000 0.25000000000000 0.50000000000000 118.710 > 65 67 Sn 0.25000000000000 0.75000000000000 0.50000000000000 118.710 > 65 68 Sn 0.75000000000000 0.75000000000000 0.50000000000000 118.710 > 65 69 Sn 0.25000000000000 0.00000000000000 0.00000000000000 118.710 > 69 70 Sn 0.75000000000000 0.00000000000000 0.00000000000000 118.710 > 69 71 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 69 72 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 69 73 Te 0.00000000000000 0.25000000000000 0.00000000000000 127.600 > 73 74 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 73 75 Te 0.00000000000000 0.75000000000000 0.00000000000000 127.600 > 73 76 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 73 77 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 77 78 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 77 79 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 77 80 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3417673 0.0000000 -0.0031867 0.0000000 4.4784576 0.0000000 -0.0031864 0.0000000 4.4080892 -------------------------- Born effective charges -------------------------- 1 O -2.3419189 0.8691551 0.1348704 1.0266204 -2.3220595 -0.0091952 0.0715269 -0.0072530 -1.3928373 2 O -2.3419189 -0.8691551 0.1348704 -1.0266204 -2.3220595 0.0091952 0.0715269 0.0072530 -1.3928373 3 O -2.3419189 0.8691551 0.1348704 1.0266204 -2.3220595 -0.0091952 0.0715269 -0.0072530 -1.3928373 4 O -2.3419189 -0.8691551 0.1348704 -1.0266204 -2.3220595 0.0091952 0.0715269 0.0072530 -1.3928373 5 O -2.1911372 -0.9526460 0.0757609 -0.8512529 -2.4360138 0.1525350 -0.0915309 0.0491031 -1.4019004 6 O -2.1911372 0.9526460 0.0757609 0.8512529 -2.4360138 -0.1525350 -0.0915309 -0.0491031 -1.4019004 7 O -2.1911372 -0.9526460 0.0757609 -0.8512529 -2.4360138 0.1525350 -0.0915309 0.0491031 -1.4019004 8 O -2.1911372 0.9526460 0.0757609 0.8512529 -2.4360138 -0.1525350 -0.0915309 -0.0491031 -1.4019004 9 O -1.4652368 0.0953406 -0.0060972 -0.0724605 -1.3159576 0.0089542 -0.1718318 0.0524216 -3.2428292 10 O -1.4652368 -0.0953406 -0.0060972 0.0724605 -1.3159576 -0.0089542 -0.1718318 -0.0524216 -3.2428292 11 O -1.4652368 0.0953406 -0.0060972 -0.0724605 -1.3159576 0.0089542 -0.1718318 0.0524216 -3.2428292 12 O -1.4652368 -0.0953406 -0.0060972 0.0724605 -1.3159576 -0.0089542 -0.1718318 -0.0524216 -3.2428292 13 Na 1.0697239 0.0318282 -0.0104125 0.1118858 1.0728038 -0.0055653 0.0059168 -0.0160327 1.0868208 14 Na 1.0697239 -0.0318282 -0.0104125 -0.1118858 1.0728038 0.0055653 0.0059168 0.0160327 1.0868208 15 Na 1.0697239 -0.0318282 -0.0104125 -0.1118858 1.0728038 0.0055653 0.0059168 0.0160327 1.0868208 16 Na 1.0697239 0.0318282 -0.0104125 0.1118858 1.0728038 -0.0055653 0.0059168 -0.0160327 1.0868208 17 Sn 4.5031018 -0.5000476 0.7762337 0.6636476 4.5648557 -0.1056257 -0.7632309 0.1768458 4.5228340 18 Sn 4.5031018 0.5000476 0.7762337 -0.6636476 4.5648557 0.1056257 -0.7632309 -0.1768458 4.5228340 19 Te 5.3540362 -0.7015316 -1.1644769 1.0450171 5.4375985 0.1621890 1.1350691 -0.2555274 5.3786582 20 Te 5.3540362 0.7015316 -1.1644769 -1.0450171 5.4375985 -0.1621890 1.1350691 0.2555274 5.3786582 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 319, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 13.612 ( 0.000 0.000 0.000) 0.000 16.909 ( 0.000 0.000 0.000) 0.000 16.942 ( 0.000 0.000 0.000) 0.000 17.093 ( 0.000 0.000 0.000) 0.000 19.792 ( 0.000 0.000 0.000) 0.000 19.805 ( 0.000 0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 20.023 ( 0.000 0.000 0.000) 0.000 20.219 ( 0.000 0.000 0.000) 0.000 20.419 ( 0.000 0.000 0.000) 0.000 21.915 ( 0.000 0.000 0.000) 0.000 22.690 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 31.633 0.000 25.669) 40.737 0.858 ( 37.467 0.000 18.678) 41.865 1.331 ( 50.742 0.000 38.299) 63.573 3.050 ( 8.059 0.000 -6.310) 10.235 3.165 ( 7.626 0.000 0.517) 7.644 3.972 ( 2.506 0.000 -4.849) 5.458 4.240 ( -4.394 0.000 15.693) 16.297 4.436 ( -3.854 0.000 4.211) 5.708 4.472 ( -3.086 0.000 -5.962) 6.713 4.592 ( -12.506 0.000 4.975) 13.459 4.996 ( -1.799 0.000 -1.399) 2.279 5.068 ( -0.907 0.000 -0.521) 1.046 5.264 ( -4.042 0.000 -4.676) 6.181 5.307 ( 2.293 0.000 -0.096) 2.295 5.405 ( -10.346 0.000 16.025) 19.074 5.680 ( -1.465 0.000 6.434) 6.599 5.844 ( -0.286 0.000 -1.561) 1.587 5.871 ( -9.076 0.000 -2.926) 9.536 6.094 ( 1.137 0.000 4.282) 4.431 6.302 ( 14.750 0.000 -5.013) 15.579 6.493 ( 11.880 0.000 1.690) 12.000 6.506 ( -9.160 0.000 2.748) 9.564 6.591 ( 0.212 0.000 -7.897) 7.900 6.626 ( 5.920 0.000 -9.264) 10.994 6.865 ( 3.048 0.000 5.410) 6.209 7.082 ( -11.825 0.000 -7.686) 14.103 7.385 ( -6.258 0.000 9.353) 11.254 7.736 ( 2.131 0.000 0.135) 2.135 7.793 ( -6.173 0.000 -1.399) 6.330 8.364 ( -0.819 0.000 9.309) 9.345 8.499 ( 4.354 0.000 3.105) 5.348 8.545 ( 13.842 0.000 -13.286) 19.187 8.838 ( -8.705 0.000 -1.993) 8.930 9.258 ( 4.038 0.000 2.064) 4.535 9.551 ( -0.080 0.000 0.644) 0.649 9.606 ( 3.224 0.000 2.249) 3.931 10.679 ( -6.411 0.000 4.795) 8.006 10.782 ( -3.204 0.000 -3.073) 4.439 10.878 ( -0.464 0.000 0.517) 0.694 11.240 ( -2.261 0.000 2.277) 3.209 11.412 ( -1.361 0.000 -1.722) 2.195 11.581 ( -3.437 0.000 0.556) 3.481 12.603 ( -2.428 0.000 -0.605) 2.502 12.616 ( -7.098 0.000 -0.043) 7.098 12.840 ( 2.863 0.000 0.220) 2.871 13.257 ( 8.495 0.000 -2.324) 8.807 13.591 ( -0.224 0.000 -2.993) 3.002 13.622 ( 17.973 0.000 -25.201) 30.953 16.989 ( 3.899 0.000 7.863) 8.777 17.015 ( 8.199 0.000 0.687) 8.228 17.158 ( 8.305 0.000 -0.930) 8.357 19.756 ( -4.334 0.000 0.034) 4.335 19.785 ( -5.469 0.000 0.844) 5.533 19.819 ( -0.909 0.000 -12.025) 12.059 20.074 ( -15.583 0.000 -0.867) 15.607 20.096 ( -12.855 0.000 11.436) 17.206 22.020 ( 7.908 0.000 5.128) 9.425 22.740 ( 2.156 0.000 5.186) 5.616 22.938 ( -1.970 0.000 -0.644) 2.073 23.208 ( 5.522 0.000 -4.715) 7.261 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 28.257 0.000 24.143) 37.167 1.680 ( 34.609 0.000 18.153) 39.081 2.558 ( 44.434 0.000 32.893) 55.284 3.093 ( 9.130 0.000 -11.586) 14.751 3.331 ( 16.904 0.000 -8.972) 19.137 3.962 ( 3.576 0.000 -5.296) 6.390 4.283 ( -4.191 0.000 -7.479) 8.573 4.379 ( -7.141 0.000 1.839) 7.374 4.383 ( -10.792 0.000 16.307) 19.554 4.505 ( -7.293 0.000 13.140) 15.028 4.908 ( -6.679 0.000 1.250) 6.795 5.072 ( 0.744 0.000 1.952) 2.089 5.150 ( -1.973 0.000 -3.874) 4.347 5.346 ( 0.393 0.000 -1.462) 1.514 5.458 ( -0.459 0.000 10.502) 10.513 5.581 ( -18.786 0.000 -1.484) 18.844 5.716 ( -0.901 0.000 -0.424) 0.996 5.878 ( 3.898 0.000 -1.669) 4.240 6.115 ( -2.080 0.000 5.300) 5.693 6.305 ( -15.155 0.000 0.706) 15.171 6.384 ( 1.501 0.000 -13.329) 13.413 6.501 ( 12.082 0.000 -1.363) 12.158 6.622 ( 6.394 0.000 -16.712) 17.894 6.833 ( 10.156 0.000 0.929) 10.199 6.868 ( -8.378 0.000 6.509) 10.610 7.077 ( 16.408 0.000 9.423) 18.922 7.346 ( -8.625 0.000 3.929) 9.478 7.613 ( -6.557 0.000 -7.986) 10.334 7.791 ( 3.740 0.000 1.094) 3.897 8.424 ( 4.580 0.000 -5.509) 7.164 8.560 ( 6.187 0.000 -5.945) 8.580 8.581 ( -18.134 0.000 -3.180) 18.411 8.727 ( 8.296 0.000 8.184) 11.653 9.367 ( 5.307 0.000 1.955) 5.656 9.568 ( 1.074 0.000 1.051) 1.503 9.712 ( 6.231 0.000 1.542) 6.419 10.593 ( -9.186 0.000 2.658) 9.563 10.665 ( -5.977 0.000 -3.780) 7.072 10.876 ( 0.841 0.000 -0.743) 1.122 11.218 ( 0.178 0.000 -3.996) 4.000 11.381 ( -2.221 0.000 3.101) 3.814 11.516 ( -5.120 0.000 0.913) 5.201 12.491 ( -7.183 0.000 0.565) 7.205 12.526 ( -4.700 0.000 -2.207) 5.192 12.918 ( 4.942 0.000 1.690) 5.223 13.364 ( 8.560 0.000 -5.883) 10.387 13.544 ( -0.059 0.000 -3.604) 3.605 13.626 ( 8.563 0.000 -12.077) 14.805 17.218 ( 7.528 0.000 14.481) 16.321 17.227 ( 15.422 0.000 1.336) 15.480 17.342 ( 15.256 0.000 -1.709) 15.352 19.605 ( -2.049 0.000 -18.270) 18.385 19.650 ( -8.059 0.000 -1.644) 8.225 19.664 ( -9.709 0.000 0.303) 9.714 19.727 ( -23.025 0.000 -1.010) 23.047 19.974 ( -10.176 0.000 0.588) 10.193 22.255 ( 9.322 0.000 8.630) 12.703 22.872 ( 4.074 0.000 7.849) 8.843 22.889 ( -2.847 0.000 -0.544) 2.899 23.251 ( 3.023 0.000 -0.392) 3.048 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 22.109 0.000 21.482) 30.826 2.431 ( 29.979 0.000 17.206) 34.566 3.104 ( 9.387 0.000 -11.077) 14.520 3.469 ( 17.294 0.000 -9.253) 19.614 3.507 ( 26.989 0.000 11.683) 29.409 3.972 ( 1.851 0.000 -0.174) 1.859 4.053 ( -7.218 0.000 -11.905) 13.922 4.286 ( -4.707 0.000 2.770) 5.462 4.379 ( -22.236 0.000 8.019) 23.638 4.469 ( 1.873 0.000 7.643) 7.869 4.991 ( 0.979 0.000 19.840) 19.865 5.037 ( -12.587 0.000 -5.625) 13.787 5.119 ( 0.331 0.000 -0.228) 0.402 5.200 ( -2.344 0.000 3.150) 3.926 5.426 ( 2.725 0.000 -2.049) 3.409 5.626 ( -1.316 0.000 -13.032) 13.098 5.713 ( 9.795 0.000 15.560) 18.386 5.848 ( 0.954 0.000 -6.353) 6.424 6.064 ( -14.125 0.000 1.396) 14.194 6.098 ( -2.309 0.000 -3.544) 4.230 6.411 ( 6.336 0.000 4.883) 7.999 6.443 ( -4.985 0.000 -10.431) 11.561 6.682 ( 8.517 0.000 1.897) 8.726 6.905 ( 0.353 0.000 3.782) 3.799 6.922 ( 6.084 0.000 -4.107) 7.340 7.155 ( -11.045 0.000 -6.974) 13.063 7.472 ( -5.323 0.000 2.206) 5.762 7.507 ( 16.873 0.000 8.162) 18.743 7.908 ( 8.635 0.000 3.465) 9.304 8.179 ( -25.185 0.000 -1.892) 25.256 8.356 ( 2.152 0.000 -17.811) 17.940 8.583 ( 0.977 0.000 1.278) 1.609 8.976 ( 9.919 0.000 7.501) 12.435 9.447 ( 3.023 0.000 -1.416) 3.338 9.619 ( 2.755 0.000 2.514) 3.729 9.829 ( 7.287 0.000 -2.018) 7.561 10.444 ( -12.070 0.000 3.092) 12.460 10.496 ( -8.270 0.000 -4.528) 9.428 10.895 ( 2.849 0.000 -1.642) 3.288 11.153 ( -1.492 0.000 -4.052) 4.317 11.423 ( 2.155 0.000 3.438) 4.057 11.445 ( -4.452 0.000 1.471) 4.689 12.402 ( -6.114 0.000 -3.232) 6.916 12.409 ( -4.085 0.000 1.961) 4.531 13.036 ( 5.541 0.000 3.025) 6.313 13.360 ( 1.453 0.000 -8.231) 8.358 13.538 ( 3.619 0.000 -3.182) 4.819 13.621 ( 4.693 0.000 -7.751) 9.061 17.552 ( 20.706 0.000 1.915) 20.795 17.568 ( 10.549 0.000 18.578) 21.364 17.616 ( 19.629 0.000 -2.037) 19.735 19.310 ( -21.630 0.000 -3.649) 21.936 19.342 ( -2.543 0.000 -18.762) 18.933 19.467 ( -13.200 0.000 -0.310) 13.204 19.471 ( -13.705 0.000 0.385) 13.711 19.770 ( -10.612 0.000 -5.683) 12.038 22.501 ( 6.766 0.000 9.405) 11.586 22.836 ( -2.804 0.000 -0.289) 2.819 23.047 ( 5.155 0.000 8.005) 9.521 23.294 ( 1.744 0.000 0.799) 1.918 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 12.057 0.000 16.881) 20.745 3.059 ( 21.311 0.000 11.312) 24.128 3.186 ( 13.268 0.000 -3.320) 13.677 3.502 ( 8.465 0.000 -14.341) 16.653 3.785 ( -8.647 0.000 -9.802) 13.071 3.788 ( 4.810 0.000 -6.371) 7.983 4.008 ( -3.493 0.000 5.024) 6.118 4.057 ( -18.779 0.000 0.622) 18.789 4.340 ( 2.647 0.000 2.959) 3.970 4.640 ( 6.585 0.000 6.917) 9.550 4.812 ( -5.386 0.000 1.374) 5.559 5.087 ( -6.264 0.000 -0.639) 6.296 5.252 ( 2.117 0.000 14.252) 14.408 5.267 ( 1.299 0.000 2.999) 3.268 5.435 ( -1.747 0.000 -6.948) 7.164 5.523 ( 10.482 0.000 -0.607) 10.500 5.796 ( 2.024 0.000 -8.317) 8.559 5.873 ( -10.138 0.000 2.495) 10.440 6.038 ( 2.385 0.000 -4.272) 4.893 6.144 ( 16.035 0.000 14.912) 21.897 6.283 ( -1.917 0.000 -2.510) 3.158 6.568 ( 3.197 0.000 5.563) 6.416 6.795 ( 3.714 0.000 -0.424) 3.738 6.870 ( -9.877 0.000 -8.008) 12.715 6.912 ( -2.088 0.000 -0.120) 2.091 6.989 ( 7.401 0.000 -4.530) 8.677 7.471 ( -1.999 0.000 6.688) 6.981 7.698 ( -6.842 0.000 -2.865) 7.417 7.770 ( -14.716 0.000 8.429) 16.959 8.069 ( -10.567 0.000 -18.207) 21.051 8.208 ( 16.498 0.000 6.877) 17.874 8.623 ( 2.724 0.000 -0.403) 2.754 9.222 ( 10.532 0.000 4.855) 11.597 9.438 ( 0.596 0.000 -4.251) 4.293 9.710 ( 3.278 0.000 3.779) 5.002 9.878 ( 3.449 0.000 -6.181) 7.078 10.292 ( -8.892 0.000 -4.975) 10.189 10.295 ( -10.265 0.000 5.035) 11.434 10.910 ( 1.487 0.000 -2.692) 3.076 11.091 ( -1.309 0.000 -2.274) 2.624 11.421 ( -1.101 0.000 2.645) 2.865 11.513 ( 4.027 0.000 2.339) 4.657 12.258 ( -6.101 0.000 -3.074) 6.832 12.398 ( -0.940 0.000 2.526) 2.695 13.163 ( 4.664 0.000 3.444) 5.798 13.273 ( -1.164 0.000 -5.463) 5.586 13.551 ( 2.717 0.000 -4.208) 5.009 13.600 ( 2.007 0.000 -5.375) 5.738 17.932 ( 20.140 0.000 -1.945) 20.234 17.947 ( 23.006 0.000 2.334) 23.124 17.985 ( 12.015 0.000 19.128) 22.589 18.950 ( -15.628 0.000 -3.174) 15.948 19.102 ( -3.262 0.000 -13.319) 13.712 19.209 ( -15.716 0.000 -1.683) 15.806 19.224 ( -16.040 0.000 0.587) 16.051 19.493 ( -10.910 0.000 -10.044) 14.829 22.687 ( 3.645 0.000 7.039) 7.927 22.792 ( -2.033 0.000 -0.118) 2.037 23.214 ( 4.247 0.000 6.159) 7.481 23.326 ( 0.862 0.000 0.850) 1.210 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 1.621 0.000 6.786) 6.977 3.272 ( 8.848 0.000 -2.641) 9.234 3.469 ( 2.384 0.000 -4.838) 5.393 3.470 ( -0.833 0.000 3.505) 3.603 3.626 ( 5.120 0.000 -1.564) 5.353 3.748 ( 1.353 0.000 -5.180) 5.353 3.836 ( -8.412 0.000 2.724) 8.842 3.993 ( -1.458 0.000 0.992) 1.763 4.368 ( 0.543 0.000 -0.241) 0.595 4.802 ( 4.341 0.000 2.533) 5.026 4.817 ( -0.925 0.000 3.249) 3.378 4.887 ( -6.059 0.000 -7.249) 9.447 5.297 ( 0.732 0.000 -0.043) 0.733 5.347 ( 2.218 0.000 -0.317) 2.241 5.485 ( -3.561 0.000 14.135) 14.577 5.662 ( 5.196 0.000 -1.409) 5.384 5.704 ( 1.118 0.000 -10.229) 10.290 5.768 ( -5.323 0.000 2.086) 5.717 6.082 ( 4.606 0.000 -1.273) 4.779 6.322 ( 8.766 0.000 4.446) 9.829 6.499 ( 3.794 0.000 4.216) 5.672 6.592 ( -10.423 0.000 -8.544) 13.477 6.627 ( -0.474 0.000 1.325) 1.407 6.833 ( 3.609 0.000 -2.669) 4.489 6.995 ( -2.221 0.000 -1.130) 2.492 7.067 ( 14.177 0.000 14.343) 20.167 7.478 ( -6.754 0.000 1.408) 6.899 7.512 ( -3.641 0.000 3.270) 4.894 7.609 ( -14.819 0.000 -18.504) 23.707 7.783 ( -1.270 0.000 2.897) 3.163 8.497 ( 7.954 0.000 3.449) 8.669 8.652 ( 1.166 0.000 -0.410) 1.236 9.394 ( -0.194 0.000 -2.574) 2.581 9.420 ( 6.625 0.000 2.333) 7.024 9.803 ( 2.360 0.000 2.859) 3.707 9.809 ( -2.260 0.000 -4.068) 4.654 10.111 ( -5.311 0.000 -3.390) 6.300 10.234 ( -2.996 0.000 2.589) 3.960 10.891 ( -0.027 0.000 -1.484) 1.484 11.059 ( -0.432 0.000 -0.711) 0.832 11.449 ( 0.439 0.000 1.533) 1.594 11.592 ( 2.318 0.000 0.982) 2.517 12.148 ( -3.016 0.000 -1.409) 3.329 12.417 ( 0.111 0.000 1.090) 1.096 13.214 ( -0.683 0.000 -1.640) 1.777 13.256 ( 2.013 0.000 1.852) 2.736 13.538 ( 0.775 0.000 -2.163) 2.297 13.570 ( 0.326 0.000 -2.351) 2.374 18.198 ( 11.210 0.000 -0.792) 11.238 18.341 ( 18.284 0.000 2.233) 18.420 18.367 ( 8.767 0.000 11.557) 14.507 18.742 ( -4.003 0.000 -2.991) 4.997 18.864 ( -16.208 0.000 -0.503) 16.215 18.981 ( -11.038 0.000 -0.285) 11.042 18.997 ( -2.209 0.000 -4.671) 5.167 19.214 ( -6.894 0.000 -7.706) 10.340 22.768 ( -0.742 0.000 -0.030) 0.743 22.784 ( 1.138 0.000 2.572) 2.813 23.316 ( 1.585 0.000 2.352) 2.837 23.343 ( 0.252 0.000 0.342) 0.424 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 37.238 0.000) 37.238 0.918 ( 0.000 44.324 0.000) 44.324 1.340 ( 0.000 64.989 0.000) 64.989 3.164 ( 0.000 14.135 0.000) 14.135 3.171 ( 0.000 11.756 0.000) 11.756 4.022 ( 0.000 3.201 0.000) 3.201 4.139 ( 0.000 -4.213 0.000) 4.213 4.190 ( 0.000 -13.927 0.000) 13.927 4.645 ( 0.000 -9.437 0.000) 9.437 4.683 ( 0.000 -5.393 0.000) 5.393 4.941 ( 0.000 2.434 0.000) 2.434 5.027 ( 0.000 -5.442 0.000) 5.442 5.205 ( 0.000 -7.456 0.000) 7.456 5.314 ( 0.000 8.524 0.000) 8.524 5.386 ( 0.000 2.810 0.000) 2.810 5.712 ( 0.000 -2.589 0.000) 2.589 5.736 ( 0.000 -17.038 0.000) 17.038 5.919 ( 0.000 1.316 0.000) 1.316 6.055 ( 0.000 8.929 0.000) 8.929 6.207 ( 0.000 -3.620 0.000) 3.620 6.467 ( 0.000 4.028 0.000) 4.028 6.514 ( 0.000 -4.259 0.000) 4.259 6.650 ( 0.000 8.390 0.000) 8.390 6.792 ( 0.000 6.304 0.000) 6.304 6.851 ( 0.000 5.398 0.000) 5.398 7.200 ( 0.000 -1.115 0.000) 1.115 7.471 ( 0.000 10.797 0.000) 10.797 7.644 ( 0.000 -3.737 0.000) 3.737 8.012 ( 0.000 -1.763 0.000) 1.763 8.267 ( 0.000 -2.174 0.000) 2.174 8.321 ( 0.000 6.603 0.000) 6.603 8.469 ( 0.000 4.490 0.000) 4.490 9.041 ( 0.000 -5.672 0.000) 5.672 9.214 ( 0.000 0.539 0.000) 0.539 9.594 ( 0.000 2.691 0.000) 2.691 10.510 ( 0.000 -13.024 0.000) 13.024 10.683 ( 0.000 -1.525 0.000) 1.525 10.712 ( 0.000 -7.168 0.000) 7.168 11.276 ( 0.000 11.142 0.000) 11.142 11.360 ( 0.000 1.826 0.000) 1.826 11.418 ( 0.000 -0.926 0.000) 0.926 11.574 ( 0.000 -0.511 0.000) 0.511 11.759 ( 0.000 7.775 0.000) 7.775 12.589 ( 0.000 -4.541 0.000) 4.541 12.615 ( 0.000 -6.062 0.000) 6.062 12.793 ( 0.000 -2.313 0.000) 2.313 13.194 ( 0.000 0.688 0.000) 0.688 13.892 ( 0.000 -3.784 0.000) 3.784 16.960 ( 0.000 4.985 0.000) 4.985 17.076 ( 0.000 13.071 0.000) 13.071 17.247 ( 0.000 14.804 0.000) 14.804 19.634 ( 0.000 -16.420 0.000) 16.420 19.900 ( 0.000 -0.086 0.000) 0.086 20.004 ( 0.000 -1.088 0.000) 1.088 20.160 ( 0.000 -5.817 0.000) 5.817 20.361 ( 0.000 -5.749 0.000) 5.749 22.015 ( 0.000 8.718 0.000) 8.718 22.726 ( 0.000 3.552 0.000) 3.552 22.910 ( 0.000 -3.904 0.000) 3.904 23.111 ( 0.000 2.979 0.000) 2.979 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 9.110 27.475 17.044) 33.591 1.215 ( 19.558 22.992 31.035) 43.294 1.986 ( 44.485 48.045 15.770) 67.349 3.144 ( 4.230 9.753 -3.717) 11.262 3.292 ( 12.066 11.449 -5.708) 17.585 3.997 ( -0.153 1.968 -2.722) 3.363 4.169 ( -3.927 -8.060 10.280) 13.641 4.226 ( -0.528 -8.193 5.952) 10.140 4.537 ( -6.998 -0.945 -3.458) 7.863 4.621 ( -8.811 -6.447 6.014) 12.464 4.879 ( -5.454 -0.706 -2.118) 5.893 5.039 ( 1.117 -2.582 1.044) 3.001 5.238 ( 0.751 -5.669 1.404) 5.888 5.290 ( -2.629 0.687 -1.233) 2.983 5.467 ( -1.258 4.923 4.380) 6.708 5.649 ( -1.011 -14.158 -2.782) 14.464 5.732 ( 0.575 -0.327 5.820) 5.857 5.891 ( -6.388 1.760 -2.493) 7.080 6.085 ( -4.714 1.454 4.519) 6.690 6.315 ( 8.548 -0.184 0.948) 8.602 6.399 ( 4.421 -3.655 -4.606) 7.357 6.619 ( 7.011 -0.857 -9.102) 11.521 6.698 ( -5.193 7.499 2.017) 9.342 6.769 ( 8.450 0.470 3.852) 9.299 6.803 ( 4.926 12.528 -9.338) 16.384 7.056 ( -11.324 -0.701 -3.200) 11.788 7.487 ( -6.960 8.247 7.135) 12.937 7.651 ( 2.306 -1.748 -0.014) 2.894 7.920 ( -8.579 2.844 -0.463) 9.050 8.354 ( 5.759 -0.446 -1.741) 6.033 8.370 ( 7.891 -2.376 2.214) 8.533 8.539 ( 3.853 3.652 3.063) 6.129 8.919 ( -11.028 -2.622 -2.768) 11.668 9.259 ( 3.803 0.076 1.458) 4.074 9.634 ( 3.095 2.558 2.018) 4.494 10.032 ( -16.113 25.885 -15.380) 34.149 10.577 ( -10.059 -8.533 5.231) 14.190 10.705 ( -0.392 -5.397 -1.015) 5.506 10.862 ( -1.027 0.215 -2.504) 2.714 11.347 ( -3.769 6.984 2.176) 8.229 11.431 ( 1.152 2.360 -4.414) 5.137 11.608 ( -4.815 2.609 2.333) 5.953 12.548 ( -4.458 -5.621 -0.468) 7.190 12.577 ( -1.941 -4.166 -0.350) 4.609 12.778 ( 22.227 -19.091 3.294) 29.485 12.846 ( 19.316 -15.095 5.080) 25.035 13.260 ( 8.342 0.240 -2.151) 8.619 13.818 ( -0.687 -0.539 -9.125) 9.167 16.988 ( 0.281 3.116 6.129) 6.881 17.198 ( 11.366 14.512 2.410) 18.590 17.310 ( 8.145 14.722 -0.872) 16.848 19.555 ( -10.185 -18.515 0.907) 21.151 19.824 ( 0.071 0.264 -12.794) 12.797 19.886 ( -2.873 2.729 -12.501) 13.114 20.086 ( -7.698 -1.640 -0.451) 7.884 20.226 ( -11.770 6.656 4.496) 14.249 22.094 ( 5.241 6.639 5.191) 9.925 22.769 ( 1.357 2.833 5.134) 6.019 22.883 ( -3.209 -5.123 0.691) 6.084 23.131 ( 0.048 -2.092 3.322) 3.927 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 28.688 2.149 20.563) 35.362 1.914 ( 20.534 14.438 27.553) 37.273 2.952 ( 40.669 32.295 20.777) 55.934 3.179 ( 9.128 8.917 -9.529) 15.926 3.411 ( 13.937 5.800 -11.045) 18.705 3.972 ( 1.024 0.561 -2.539) 2.794 4.201 ( -2.227 -5.736 2.083) 6.496 4.277 ( -2.865 -3.884 3.707) 6.086 4.449 ( -11.000 -1.699 11.576) 16.059 4.530 ( -6.942 1.466 5.482) 8.966 4.766 ( -5.477 -6.075 1.157) 8.262 5.061 ( 3.466 -5.324 -3.572) 7.288 5.152 ( -6.367 2.251 3.209) 7.477 5.365 ( 4.107 -4.973 4.375) 7.793 5.420 ( -0.833 -2.917 -6.137) 6.846 5.557 ( -16.747 -1.638 -3.392) 17.166 5.679 ( -2.732 -4.255 0.125) 5.058 5.854 ( -0.301 5.765 6.840) 8.950 6.123 ( 0.962 1.537 8.233) 8.430 6.249 ( -5.428 -3.044 -11.736) 13.284 6.514 ( 9.269 -2.179 -3.882) 10.282 6.525 ( 2.934 -2.563 -9.215) 10.005 6.652 ( -5.409 13.434 -3.573) 14.917 6.758 ( -0.955 -3.365 0.148) 3.501 6.937 ( -1.440 1.328 4.939) 5.313 7.084 ( 15.715 1.148 4.938) 16.512 7.427 ( -5.555 6.829 2.044) 9.037 7.637 ( -3.322 3.819 -3.524) 6.168 7.837 ( 0.891 4.237 2.736) 5.121 8.390 ( 2.351 -2.655 -7.723) 8.499 8.510 ( 2.833 -0.551 4.322) 5.198 8.579 ( -5.906 -1.124 -7.250) 9.418 8.747 ( -0.630 0.394 7.414) 7.451 9.351 ( 4.548 -1.453 1.018) 4.882 9.724 ( 4.056 4.258 0.812) 5.937 9.822 ( 1.195 16.468 -5.130) 17.289 10.457 ( -9.753 -10.040 2.963) 14.307 10.658 ( -3.188 -2.067 -2.671) 4.644 10.854 ( 1.747 -1.309 -1.287) 2.534 11.276 ( -2.736 4.295 -4.131) 6.557 11.425 ( -0.292 3.626 2.473) 4.398 11.543 ( -4.840 3.277 1.120) 5.952 12.447 ( -6.103 -4.191 0.330) 7.411 12.506 ( -4.399 -2.101 -2.080) 5.300 12.892 ( 5.576 -2.602 1.433) 6.318 13.237 ( 12.632 -16.538 -1.631) 20.874 13.385 ( 10.410 -0.976 -4.234) 11.280 13.700 ( 0.856 0.358 -10.051) 10.094 17.131 ( 5.453 -0.592 10.178) 11.562 17.483 ( 16.504 17.035 5.592) 24.369 17.492 ( 15.174 14.418 -1.852) 21.013 19.326 ( -18.375 -20.139 1.942) 27.331 19.617 ( 0.470 0.313 -22.386) 22.393 19.676 ( -6.069 1.078 -10.463) 12.144 19.918 ( -12.109 6.409 0.706) 13.719 20.091 ( -10.597 9.324 2.593) 14.352 22.283 ( 6.741 2.562 8.481) 11.132 22.831 ( -3.766 -5.791 0.837) 6.959 22.883 ( 2.733 1.043 7.790) 8.321 23.180 ( 0.808 -4.776 3.368) 5.900 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 30.030 -4.006 19.847) 36.218 2.516 ( 16.367 8.150 21.623) 28.317 3.172 ( 8.295 7.033 -10.403) 15.050 3.490 ( 13.014 0.542 -14.327) 19.363 3.765 ( 24.397 21.293 9.683) 33.799 3.956 ( -3.445 -1.614 -0.133) 3.807 4.111 ( 1.379 5.509 -7.890) 9.722 4.243 ( -4.176 -3.227 4.072) 6.666 4.365 ( -18.848 -1.978 9.780) 21.326 4.494 ( 0.652 2.034 5.018) 5.454 4.818 ( 1.177 -9.620 7.822) 12.454 5.034 ( -7.510 -2.709 -1.742) 8.172 5.133 ( -5.800 -0.294 -4.906) 7.603 5.240 ( -1.877 4.205 12.381) 13.210 5.339 ( 2.100 -11.173 -9.840) 15.036 5.537 ( 5.769 -7.979 4.305) 10.746 5.686 ( -0.010 2.091 -0.400) 2.129 5.823 ( -5.696 -1.064 -5.806) 8.203 6.045 ( 1.424 3.778 0.948) 4.147 6.300 ( 0.548 3.447 6.496) 7.375 6.364 ( -3.076 -3.393 -10.036) 11.031 6.511 ( -4.376 10.376 -1.214) 11.326 6.674 ( 4.616 -0.551 0.993) 4.753 6.792 ( 2.924 -4.932 5.132) 7.695 6.970 ( -0.876 -1.786 -1.270) 2.360 7.204 ( -5.321 2.841 -1.739) 6.277 7.439 ( 4.655 -0.362 3.127) 5.620 7.596 ( 2.076 6.413 1.331) 6.871 7.996 ( 11.288 8.663 5.598) 15.291 8.137 ( -21.526 -2.442 -2.846) 21.850 8.378 ( -0.176 1.054 -15.727) 15.763 8.592 ( 2.608 1.039 1.456) 3.163 8.933 ( 6.539 -2.795 9.232) 11.653 9.404 ( 1.892 -3.934 -2.262) 4.917 9.761 ( 3.220 10.852 -1.480) 11.416 9.875 ( 6.805 4.577 -2.566) 8.593 10.335 ( -9.729 -7.094 4.613) 12.894 10.528 ( -7.140 0.480 -4.517) 8.462 10.883 ( 3.908 -0.382 -2.185) 4.494 11.182 ( -2.794 2.089 -3.642) 5.044 11.465 ( -0.323 3.617 2.711) 4.532 11.493 ( -1.024 4.928 1.578) 5.274 12.376 ( -3.599 -3.129 1.430) 4.979 12.389 ( -5.498 -1.373 -2.883) 6.358 13.018 ( 5.920 -1.798 3.061) 6.903 13.306 ( 2.270 -5.737 -5.055) 7.976 13.489 ( 7.954 -2.487 -5.127) 9.785 13.626 ( 2.770 -0.687 -7.867) 8.368 17.403 ( 10.483 -4.106 12.947) 17.157 17.758 ( 19.270 13.594 -2.732) 23.740 17.865 ( 19.318 18.520 7.571) 27.812 19.022 ( -20.832 -17.977 3.634) 27.756 19.344 ( 1.541 0.606 -25.506) 25.560 19.429 ( -9.420 -2.571 -9.617) 13.706 19.705 ( -15.052 12.069 1.847) 19.381 19.912 ( -12.088 11.480 -1.186) 16.712 22.489 ( 5.083 -1.130 8.950) 10.355 22.780 ( -3.281 -5.548 0.689) 6.482 23.033 ( 3.663 -1.299 8.027) 8.918 23.230 ( 0.686 -5.361 2.814) 6.093 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 13.003 5.021 16.121) 21.311 2.990 ( 20.273 -5.366 16.303) 26.563 3.226 ( 9.617 4.514 -5.973) 12.188 3.490 ( 7.544 -0.927 -14.116) 16.032 3.761 ( -10.040 -1.278 -5.234) 11.395 3.903 ( 1.816 7.686 -6.692) 10.352 4.086 ( -15.129 2.700 1.448) 15.436 4.165 ( -1.735 12.805 1.217) 12.979 4.379 ( 5.410 4.036 2.909) 7.350 4.631 ( 5.852 -1.023 5.855) 8.341 4.748 ( -5.122 -5.429 -2.629) 7.913 4.964 ( -1.056 -12.328 4.391) 13.129 5.115 ( -2.163 -2.218 1.850) 3.608 5.275 ( 2.628 -8.258 -6.206) 10.658 5.433 ( 1.827 1.195 11.895) 12.094 5.487 ( -5.368 -6.372 -4.634) 9.534 5.705 ( 5.271 3.010 -3.161) 6.844 5.806 ( 4.243 -8.205 1.814) 9.414 6.175 ( -0.209 3.978 0.612) 4.030 6.216 ( -2.343 1.727 -5.228) 5.983 6.310 ( 3.152 5.308 6.373) 8.873 6.548 ( 3.578 0.372 6.780) 7.675 6.706 ( 1.830 -5.934 -2.192) 6.586 6.832 ( -9.170 -3.220 -2.173) 9.959 6.930 ( 2.887 0.871 1.707) 3.465 7.117 ( 1.004 10.665 -2.896) 11.097 7.522 ( -0.826 4.058 5.511) 6.894 7.682 ( 2.851 -3.742 3.470) 5.846 7.760 ( -19.069 2.914 1.422) 19.343 8.111 ( -8.471 3.911 -16.831) 19.244 8.303 ( 14.005 8.099 5.970) 17.244 8.642 ( 2.934 1.711 -1.085) 3.566 9.148 ( 7.327 -5.751 7.194) 11.770 9.358 ( -1.358 -6.634 -5.189) 8.531 9.822 ( 4.435 9.188 0.328) 10.208 9.932 ( 4.466 4.038 -4.105) 7.287 10.249 ( -6.976 -2.215 4.071) 8.375 10.331 ( -9.464 1.598 -3.836) 10.336 10.914 ( 2.854 0.870 -3.211) 4.384 11.104 ( -1.817 0.988 -2.323) 3.110 11.468 ( -0.616 4.415 2.331) 5.030 11.558 ( 3.277 4.256 2.351) 5.864 12.250 ( -5.688 -0.802 -3.202) 6.577 12.375 ( -0.430 -2.184 2.517) 3.360 13.149 ( 4.611 -1.319 3.623) 6.011 13.253 ( -0.589 -1.917 -4.154) 4.613 13.528 ( 4.026 -1.865 -4.807) 6.542 13.590 ( 2.193 -0.928 -5.994) 6.450 17.770 ( 13.734 -6.628 14.242) 20.866 18.048 ( 18.774 10.874 -3.442) 21.968 18.278 ( 18.345 17.422 6.808) 26.200 18.749 ( -16.236 -13.089 4.236) 21.281 19.092 ( -1.923 -0.062 -17.449) 17.554 19.157 ( -5.519 -1.873 -12.017) 13.356 19.462 ( -16.981 15.130 2.775) 22.912 19.657 ( -14.127 13.138 -4.666) 19.848 22.648 ( 2.742 -3.766 6.512) 8.006 22.740 ( -2.246 -5.039 0.551) 5.544 23.177 ( 3.172 -3.486 6.075) 7.689 23.266 ( 0.338 -5.442 1.899) 5.774 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 1.056 2.327 5.990) 6.513 3.292 ( 4.819 1.456 -1.377) 5.219 3.413 ( 2.005 -0.568 -1.644) 2.654 3.505 ( 12.696 -3.972 1.256) 13.362 3.597 ( -4.583 3.400 0.242) 5.711 3.843 ( -1.188 5.660 -1.765) 6.047 3.917 ( -5.197 6.944 0.650) 8.697 4.123 ( -1.299 9.220 -1.900) 9.503 4.430 ( 1.505 5.858 -0.533) 6.072 4.636 ( -3.969 -9.289 -4.573) 11.089 4.786 ( 4.419 -1.621 1.906) 5.078 4.949 ( -0.971 -1.760 -0.489) 2.069 5.144 ( 0.336 -9.190 5.582) 10.758 5.243 ( -0.540 -9.478 -3.090) 9.984 5.440 ( -0.196 -3.008 2.250) 3.762 5.517 ( -1.297 -7.773 1.981) 8.125 5.770 ( 5.333 3.736 0.216) 6.515 5.853 ( -0.814 -0.994 -1.026) 1.644 6.042 ( -4.335 -1.817 -3.922) 6.121 6.259 ( 6.918 -8.924 0.099) 11.292 6.395 ( -3.193 -6.099 3.842) 7.883 6.637 ( -4.884 5.274 -3.990) 8.221 6.729 ( 2.365 -6.778 -2.156) 7.495 6.745 ( 1.965 6.343 5.914) 8.892 6.950 ( -0.055 0.173 0.251) 0.310 7.232 ( 12.156 12.446 8.795) 19.494 7.532 ( -4.795 3.913 1.160) 6.297 7.596 ( -5.891 7.725 3.245) 10.242 7.705 ( -7.659 6.186 -12.756) 16.113 7.757 ( -3.027 0.274 -0.745) 3.129 8.554 ( 7.164 4.376 4.473) 9.512 8.654 ( 0.597 0.918 -2.665) 2.881 9.275 ( -0.958 -8.334 -3.447) 9.070 9.322 ( 3.913 -7.961 4.017) 9.738 9.900 ( 3.174 7.365 1.066) 8.090 9.935 ( 0.919 8.508 -2.131) 8.818 10.122 ( -5.597 1.720 -3.807) 6.985 10.229 ( -3.073 -0.488 2.696) 4.117 10.903 ( 0.282 1.283 -1.796) 2.225 11.075 ( -0.014 1.299 -0.670) 1.462 11.492 ( 0.189 4.159 1.376) 4.384 11.628 ( 2.024 3.495 0.998) 4.160 12.144 ( -2.840 -0.395 -1.482) 3.228 12.400 ( 0.310 -1.614 1.079) 1.966 13.205 ( -0.443 -0.762 -0.506) 1.017 13.250 ( 1.984 -0.524 1.340) 2.451 13.525 ( 1.027 -1.219 -2.122) 2.654 13.558 ( 0.587 -1.142 -2.905) 3.176 18.168 ( 12.841 -7.989 13.068) 19.987 18.260 ( 9.198 5.344 -2.525) 10.933 18.487 ( -0.611 0.962 -3.701) 3.872 18.599 ( -6.622 -7.052 -0.412) 9.682 18.953 ( 5.495 10.878 0.113) 12.188 19.046 ( 4.941 5.911 -7.171) 10.525 19.225 ( -14.036 16.491 2.945) 21.855 19.353 ( -12.471 12.332 -5.820) 18.479 22.715 ( -0.441 -5.042 0.311) 5.071 22.734 ( 0.483 -4.789 2.253) 5.314 23.266 ( 1.300 -4.757 2.252) 5.421 23.285 ( 0.005 -5.461 0.707) 5.507 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 34.911 0.000) 34.911 1.767 ( 0.000 39.297 0.000) 39.297 2.584 ( 0.000 56.766 0.000) 56.766 3.345 ( 0.000 3.362 0.000) 3.362 3.514 ( 0.000 18.038 0.000) 18.038 3.961 ( 0.000 -8.812 0.000) 8.812 4.047 ( 0.000 -0.400 0.000) 0.400 4.148 ( 0.000 3.846 0.000) 3.846 4.492 ( 0.000 -1.570 0.000) 1.570 4.535 ( 0.000 -7.191 0.000) 7.191 4.871 ( 0.000 -9.918 0.000) 9.918 4.988 ( 0.000 1.408 0.000) 1.408 5.049 ( 0.000 -6.700 0.000) 6.700 5.325 ( 0.000 -21.120 0.000) 21.120 5.452 ( 0.000 0.947 0.000) 0.947 5.466 ( 0.000 4.755 0.000) 4.755 5.589 ( 0.000 -5.240 0.000) 5.240 5.914 ( 0.000 -2.068 0.000) 2.068 6.187 ( 0.000 0.912 0.000) 0.912 6.204 ( 0.000 4.916 0.000) 4.916 6.495 ( 0.000 3.291 0.000) 3.291 6.566 ( 0.000 5.208 0.000) 5.208 6.825 ( 0.000 5.382 0.000) 5.382 6.835 ( 0.000 -1.047 0.000) 1.047 7.038 ( 0.000 13.503 0.000) 13.503 7.189 ( 0.000 -1.000 0.000) 1.000 7.536 ( 0.000 -6.084 0.000) 6.084 7.737 ( 0.000 14.576 0.000) 14.576 7.983 ( 0.000 -0.945 0.000) 0.945 8.185 ( 0.000 -5.352 0.000) 5.352 8.500 ( 0.000 9.649 0.000) 9.649 8.582 ( 0.000 6.160 0.000) 6.160 8.885 ( 0.000 -9.131 0.000) 9.131 9.224 ( 0.000 0.119 0.000) 0.119 9.657 ( 0.000 3.088 0.000) 3.088 10.193 ( 0.000 -16.703 0.000) 16.703 10.580 ( 0.000 -5.980 0.000) 5.980 10.634 ( 0.000 -3.380 0.000) 3.380 11.401 ( 0.000 -0.509 0.000) 0.509 11.414 ( 0.000 3.298 0.000) 3.298 11.493 ( 0.000 9.701 0.000) 9.701 11.603 ( 0.000 3.697 0.000) 3.697 11.934 ( 0.000 9.241 0.000) 9.241 12.402 ( 0.000 -11.755 0.000) 11.755 12.502 ( 0.000 -6.625 0.000) 6.625 12.724 ( 0.000 -4.545 0.000) 4.545 13.216 ( 0.000 1.616 0.000) 1.616 13.785 ( 0.000 -6.566 0.000) 6.566 17.111 ( 0.000 10.002 0.000) 10.002 17.450 ( 0.000 23.286 0.000) 23.286 17.661 ( 0.000 25.254 0.000) 25.254 19.202 ( 0.000 -24.844 0.000) 24.844 19.883 ( 0.000 -3.447 0.000) 3.447 19.985 ( 0.000 -1.039 0.000) 1.039 19.997 ( 0.000 -8.544 0.000) 8.544 20.186 ( 0.000 -11.538 0.000) 11.538 22.209 ( 0.000 9.485 0.000) 9.485 22.824 ( 0.000 -4.498 0.000) 4.498 22.830 ( 0.000 6.480 0.000) 6.480 23.166 ( 0.000 2.156 0.000) 2.156 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -9.900 37.499 8.847) 39.780 1.752 ( 11.527 28.762 21.366) 37.638 2.978 ( 33.330 46.529 6.250) 57.575 3.354 ( 3.978 5.801 -3.054) 7.669 3.538 ( 5.352 15.127 -6.774) 17.417 3.937 ( -3.573 -8.283 3.617) 9.719 4.089 ( -0.616 -0.078 5.788) 5.822 4.180 ( 3.563 2.953 0.789) 4.695 4.410 ( -6.627 -9.373 -3.666) 12.050 4.509 ( -4.091 -0.324 7.659) 8.689 4.791 ( -6.526 -8.702 -1.273) 10.951 5.025 ( 1.723 -2.791 1.205) 3.494 5.152 ( 2.070 0.803 7.951) 8.255 5.251 ( -0.251 -20.021 -10.206) 22.473 5.333 ( -5.378 3.781 -6.767) 9.435 5.529 ( 3.509 -2.957 2.811) 5.381 5.760 ( 6.154 2.603 13.952) 15.470 5.919 ( -0.720 -0.260 -3.817) 3.893 6.113 ( 0.033 -0.216 1.936) 1.948 6.273 ( -11.982 0.100 3.560) 12.500 6.372 ( 5.616 1.202 -5.658) 8.062 6.603 ( 1.476 0.396 -7.903) 8.049 6.750 ( -6.352 0.983 3.590) 7.362 6.861 ( 1.990 2.980 -1.120) 3.755 7.064 ( -8.240 1.622 -5.109) 9.830 7.076 ( 5.331 10.427 -2.286) 11.932 7.537 ( -1.667 -1.192 2.737) 3.419 7.793 ( 0.920 13.146 4.767) 14.014 7.894 ( -6.771 -2.704 2.230) 7.624 8.330 ( 8.474 -2.698 4.295) 9.876 8.465 ( 3.385 9.161 -7.615) 12.384 8.626 ( 2.879 4.118 0.272) 5.032 8.797 ( -8.804 -7.546 -0.746) 11.619 9.258 ( 3.116 -0.524 0.458) 3.193 9.694 ( 3.126 2.968 1.577) 4.590 10.133 ( -4.064 -11.281 -2.593) 12.268 10.532 ( -8.459 1.116 -1.853) 8.731 10.606 ( -2.227 -3.657 2.492) 4.954 10.940 ( -8.450 8.123 -9.130) 14.858 11.419 ( 0.254 1.200 -1.820) 2.195 11.530 ( -2.742 5.528 -3.830) 7.263 11.695 ( -3.659 6.288 4.972) 8.812 12.355 ( 14.103 -10.818 1.645) 17.850 12.419 ( 11.947 -6.792 2.295) 13.933 12.516 ( 3.124 -6.390 3.469) 7.913 12.750 ( 4.005 -4.555 0.158) 6.067 13.271 ( 7.680 0.910 -2.487) 8.124 13.744 ( -0.034 -5.692 -6.430) 8.587 17.112 ( -3.125 9.047 6.444) 11.539 17.584 ( 13.249 23.212 1.837) 26.790 17.723 ( 8.093 25.274 -0.996) 26.557 19.111 ( -11.266 -24.350 1.493) 26.871 19.827 ( 0.598 -0.190 -12.014) 12.031 19.898 ( -1.848 -0.800 -11.574) 11.748 19.976 ( -0.694 -8.839 -0.873) 8.909 20.208 ( 1.929 -7.587 -0.198) 7.831 22.248 ( 0.863 7.855 5.177) 9.447 22.777 ( -7.191 -4.745 3.260) 9.212 22.854 ( -0.602 5.253 4.715) 7.084 23.135 ( -5.043 1.298 4.017) 6.576 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 8.746 21.461 16.862) 28.660 2.264 ( 13.916 19.783 24.854) 34.681 3.398 ( 9.693 7.185 -7.824) 14.380 3.482 ( 1.441 9.425 -9.475) 13.442 3.665 ( 31.237 28.136 8.411) 42.874 3.927 ( -2.899 -4.957 2.906) 6.436 4.152 ( 2.413 1.882 4.454) 5.404 4.244 ( 2.564 1.342 -2.825) 4.045 4.333 ( -8.189 -8.998 10.091) 15.806 4.539 ( -4.289 1.813 8.314) 9.529 4.670 ( -3.423 -6.732 -1.394) 7.679 5.026 ( -0.598 1.883 -8.470) 8.698 5.116 ( -0.710 -14.506 -5.583) 15.560 5.154 ( 1.373 -5.213 -2.010) 5.753 5.312 ( -2.568 1.537 9.235) 9.708 5.625 ( 3.335 2.027 0.180) 3.907 5.703 ( -16.586 6.001 -3.562) 17.994 5.987 ( 0.878 4.698 6.612) 8.158 6.080 ( -4.427 -7.614 -8.743) 12.410 6.196 ( 6.884 1.837 2.861) 7.678 6.395 ( -2.610 -5.675 -2.232) 6.633 6.528 ( 0.219 -1.445 5.010) 5.219 6.736 ( -2.279 1.578 -0.016) 2.772 6.842 ( -1.533 4.532 -3.696) 6.045 6.924 ( -4.897 -1.639 3.900) 6.471 7.111 ( 1.574 1.205 0.374) 2.017 7.507 ( -3.438 -0.463 -2.132) 4.072 7.818 ( -2.295 12.442 1.538) 12.745 7.939 ( 6.729 6.748 6.946) 11.792 8.427 ( -5.391 3.300 -4.859) 7.973 8.462 ( 2.396 -2.754 -3.363) 4.963 8.552 ( 0.314 -0.669 -4.276) 4.339 8.767 ( 2.181 1.799 5.846) 6.494 9.312 ( 2.557 -2.612 -0.517) 3.691 9.785 ( 5.438 2.449 1.069) 6.059 10.051 ( -1.635 -1.078 -2.000) 2.800 10.342 ( -9.671 3.700 -0.007) 10.355 10.596 ( -0.674 -3.397 -2.171) 4.088 10.862 ( 3.679 2.963 -3.737) 6.023 11.330 ( -5.770 0.463 -2.578) 6.336 11.515 ( 2.577 5.700 0.155) 6.258 11.656 ( -3.927 7.268 0.902) 8.310 12.331 ( -3.229 -7.002 -0.558) 7.731 12.440 ( -3.292 -4.444 -1.632) 5.766 12.813 ( 9.367 -5.063 0.775) 10.676 12.951 ( 15.957 -10.192 3.707) 19.294 13.383 ( 10.271 0.165 -5.473) 11.639 13.654 ( 1.243 -4.098 -9.405) 10.334 17.188 ( 0.141 6.043 11.373) 12.879 17.885 ( 17.096 23.345 0.161) 28.936 17.909 ( 16.466 24.809 1.582) 29.818 18.895 ( -16.754 -21.892 3.354) 27.771 19.627 ( 0.425 0.745 -21.887) 21.903 19.674 ( -4.253 -1.175 -16.857) 17.425 19.952 ( -3.174 -2.999 1.121) 4.509 20.213 ( -1.728 0.563 -0.344) 1.850 22.347 ( 1.094 3.505 8.087) 8.881 22.690 ( -8.351 -6.815 5.189) 11.963 22.917 ( -0.838 2.326 7.705) 8.092 23.117 ( -3.740 -1.583 5.240) 6.629 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 21.047 5.436 20.212) 29.683 2.740 ( 10.783 13.384 19.579) 26.053 3.370 ( 1.710 10.465 -8.341) 13.491 3.478 ( 9.473 -0.408 -9.757) 13.605 3.850 ( -3.021 -5.269 -2.570) 6.595 4.142 ( -3.469 -0.804 -4.449) 5.698 4.182 ( 9.722 6.132 5.174) 12.605 4.255 ( -7.596 -3.071 6.714) 10.592 4.361 ( 6.805 13.168 9.133) 17.411 4.531 ( 0.393 2.235 1.173) 2.554 4.685 ( -0.145 -5.124 -0.160) 5.128 4.914 ( -0.416 -8.667 -6.852) 11.056 5.036 ( -5.124 -10.276 -7.535) 13.734 5.159 ( 0.330 -0.063 -4.529) 4.542 5.360 ( -3.303 4.225 15.779) 16.666 5.494 ( -0.190 5.463 1.705) 5.726 5.682 ( -0.592 -0.989 -1.761) 2.105 5.794 ( -5.406 -3.783 -11.685) 13.419 6.115 ( 3.426 3.086 5.389) 7.092 6.235 ( -1.915 -4.843 -0.823) 5.273 6.367 ( -1.953 0.302 -1.925) 2.759 6.662 ( -3.826 0.659 -0.052) 3.883 6.687 ( -1.629 -3.921 7.335) 8.475 6.742 ( -3.178 6.377 5.883) 9.240 6.907 ( -1.895 -2.676 1.274) 3.518 7.207 ( 5.343 -1.272 3.420) 6.470 7.444 ( -1.147 -0.665 2.557) 2.881 7.760 ( -4.243 9.179 -2.287) 10.367 8.126 ( -14.322 0.386 -4.732) 15.088 8.202 ( 11.565 10.522 5.849) 16.693 8.409 ( 1.573 3.713 -10.511) 11.258 8.622 ( 5.096 1.680 -0.369) 5.378 8.894 ( 2.727 -1.203 7.670) 8.229 9.307 ( -1.045 -5.531 -3.066) 6.409 9.888 ( 6.165 2.446 -0.195) 6.636 10.028 ( 1.720 6.078 -2.790) 6.906 10.235 ( -6.185 -0.308 4.073) 7.413 10.511 ( -4.142 -1.767 -5.306) 6.959 10.911 ( 6.470 3.609 -3.625) 8.247 11.215 ( -4.034 1.084 -3.122) 5.215 11.565 ( 0.964 6.010 1.133) 6.191 11.620 ( -0.525 6.979 1.599) 7.179 12.289 ( -1.638 -5.289 1.025) 5.631 12.346 ( -4.194 -2.896 -3.068) 5.949 12.969 ( 7.055 -2.808 3.194) 8.238 13.159 ( 6.209 -7.599 -0.101) 9.813 13.461 ( 8.562 -0.703 -8.248) 11.909 13.591 ( 3.951 -2.367 -8.315) 9.506 17.387 ( 4.721 2.290 15.247) 16.125 18.127 ( 16.738 21.352 -4.264) 27.464 18.288 ( 19.620 22.262 5.295) 30.142 18.668 ( -14.832 -15.489 5.136) 22.052 19.355 ( -2.986 -0.548 -20.908) 21.127 19.391 ( -1.248 0.014 -20.605) 20.643 19.880 ( -8.026 4.725 2.416) 9.622 20.129 ( -7.370 7.914 -1.236) 10.884 22.458 ( 0.538 -1.903 7.956) 8.198 22.630 ( -5.680 -8.233 4.570) 10.997 23.001 ( -0.324 -1.650 7.966) 8.141 23.124 ( -2.617 -4.494 4.743) 7.039 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 21.804 -2.640 19.552) 29.405 3.067 ( 5.883 8.113 12.621) 16.116 3.334 ( 0.698 4.843 -2.290) 5.403 3.489 ( 6.616 1.197 -11.333) 13.177 3.744 ( -2.834 0.835 -5.239) 6.015 4.007 ( -5.187 2.388 -0.485) 5.730 4.136 ( -8.085 1.054 0.405) 8.163 4.367 ( -0.537 3.933 2.603) 4.747 4.461 ( 3.107 -2.315 -9.489) 10.250 4.599 ( 6.643 0.312 -1.135) 6.746 4.649 ( 0.483 -0.838 2.394) 2.582 4.790 ( -4.446 -5.320 2.031) 7.224 4.956 ( 3.661 -11.617 -2.435) 12.421 5.159 ( -3.809 -1.175 -2.337) 4.621 5.373 ( -3.151 -3.787 -6.837) 8.427 5.488 ( -6.662 -0.338 11.375) 13.187 5.674 ( 0.599 0.068 6.922) 6.949 5.772 ( 6.716 1.688 -4.429) 8.220 6.143 ( -8.958 -4.242 0.504) 9.924 6.224 ( 2.664 -2.931 -0.401) 3.981 6.252 ( -7.107 -7.559 -5.907) 11.939 6.601 ( -1.649 -2.289 1.174) 3.056 6.647 ( 4.238 3.393 3.025) 6.214 6.829 ( -4.004 4.136 3.986) 7.002 6.982 ( 4.633 3.967 4.737) 7.723 7.319 ( 3.007 7.657 5.948) 10.151 7.549 ( 4.719 -3.556 6.086) 8.483 7.635 ( -8.664 3.547 2.493) 9.688 7.904 ( -5.896 9.169 -2.654) 11.220 8.229 ( -3.469 8.219 -14.159) 16.735 8.472 ( 9.544 7.523 3.914) 12.767 8.687 ( 4.019 2.482 -1.454) 4.942 9.030 ( 2.666 -5.662 7.788) 9.991 9.216 ( -3.300 -6.809 -4.779) 8.949 9.984 ( 5.228 3.494 -0.303) 6.296 10.031 ( 2.928 7.768 -3.492) 9.006 10.209 ( -4.299 -1.611 5.402) 7.090 10.354 ( -6.007 0.564 -5.533) 8.187 10.961 ( 4.455 3.860 -4.864) 7.642 11.123 ( -1.947 0.962 -2.861) 3.592 11.582 ( 0.278 6.387 1.659) 6.605 11.670 ( 2.068 6.369 2.521) 7.155 12.226 ( -4.220 -1.634 -3.463) 5.698 12.314 ( 0.825 -3.620 2.297) 4.366 13.114 ( 4.564 -1.937 4.174) 6.482 13.201 ( 1.451 -3.010 -0.725) 3.419 13.490 ( 5.564 -1.648 -6.607) 8.794 13.567 ( 3.401 -1.253 -7.476) 8.308 17.693 ( 8.275 -1.179 17.614) 19.496 18.304 ( 6.219 9.228 -0.415) 11.136 18.463 ( -3.570 -3.956 -0.623) 5.365 18.704 ( 13.126 15.655 -2.352) 20.565 19.074 ( -2.480 0.652 -10.274) 10.590 19.215 ( 7.751 7.141 -16.949) 19.959 19.741 ( -12.495 11.671 3.506) 17.454 19.937 ( -12.581 13.006 -2.932) 18.331 22.542 ( 0.000 -6.591 5.218) 8.406 22.603 ( -3.038 -7.781 3.210) 8.948 23.084 ( 0.232 -5.431 5.774) 7.931 23.136 ( -1.794 -6.809 3.373) 7.807 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 0.870 4.449 6.724) 8.109 3.302 ( -1.455 -0.395 -1.108) 1.871 3.426 ( 11.767 -0.379 10.293) 15.638 3.459 ( 4.297 1.694 -4.067) 6.154 3.673 ( 0.078 4.112 -3.546) 5.430 3.957 ( -2.568 5.106 2.525) 6.248 4.023 ( -4.309 2.116 -0.280) 4.809 4.174 ( -4.194 -4.960 -10.719) 12.533 4.542 ( 4.072 3.544 0.302) 5.406 4.598 ( -1.274 3.773 -3.963) 5.618 4.738 ( 5.649 -3.103 0.797) 6.494 4.820 ( -0.376 -6.641 4.081) 7.804 5.008 ( -4.263 -5.995 -1.285) 7.468 5.059 ( 7.113 -8.338 1.458) 11.057 5.301 ( -2.697 -7.421 -2.949) 8.428 5.437 ( -8.407 -5.479 4.662) 11.065 5.748 ( -0.524 -0.484 5.374) 5.422 5.815 ( 2.652 -4.479 -4.453) 6.850 6.007 ( -4.399 -5.966 -1.229) 7.513 6.031 ( -5.514 -5.431 -4.150) 8.782 6.273 ( 1.423 -4.023 1.465) 4.512 6.590 ( 0.645 -4.715 -1.036) 4.870 6.761 ( 0.138 3.720 0.222) 3.729 6.862 ( 2.482 4.146 3.400) 5.908 7.042 ( 0.668 7.687 0.352) 7.724 7.504 ( 8.395 12.594 9.067) 17.644 7.588 ( -3.030 1.771 4.986) 6.097 7.658 ( 0.772 -2.162 1.876) 2.964 7.823 ( -3.185 11.942 -1.053) 12.404 7.969 ( -5.591 14.571 -11.810) 19.572 8.608 ( 2.279 1.617 1.954) 3.410 8.730 ( 3.273 5.357 -1.860) 6.548 9.118 ( -3.195 -7.170 -0.071) 7.850 9.150 ( 3.078 -8.496 1.604) 9.178 10.030 ( 1.511 2.893 -1.353) 3.533 10.049 ( 1.413 4.853 -0.434) 5.074 10.201 ( 0.110 2.720 -1.321) 3.026 10.225 ( -4.663 2.598 1.130) 5.456 10.944 ( 0.290 2.700 -2.635) 3.784 11.098 ( 0.709 0.796 -1.008) 1.467 11.607 ( 0.135 6.869 1.280) 6.989 11.725 ( 1.439 5.682 0.994) 5.946 12.134 ( -2.271 -0.590 -1.697) 2.896 12.353 ( 0.790 -2.969 0.981) 3.225 13.189 ( 0.289 -0.579 1.946) 2.051 13.239 ( 2.023 -0.484 0.904) 2.267 13.495 ( 1.572 -1.587 -2.264) 3.180 13.529 ( 1.097 -1.559 -4.414) 4.808 18.044 ( 8.031 -4.159 15.413) 17.871 18.349 ( -9.877 -3.321 16.596) 19.596 18.394 ( 8.831 0.435 -18.590) 20.585 18.565 ( -5.871 -0.091 -15.440) 16.518 19.250 ( 10.514 14.709 -6.675) 19.273 19.262 ( 16.823 17.620 5.772) 25.036 19.566 ( -11.836 16.392 3.050) 20.447 19.651 ( -15.139 15.826 -4.424) 22.343 22.576 ( -0.190 -8.270 1.134) 8.349 22.602 ( -0.830 -7.898 1.802) 8.143 23.134 ( 0.351 -7.995 1.513) 8.145 23.143 ( -0.838 -7.877 1.805) 8.124 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 31.162 0.000) 31.162 2.489 ( 0.000 31.996 0.000) 31.996 3.400 ( 0.000 5.004 0.000) 5.004 3.475 ( 0.000 22.396 0.000) 22.396 3.620 ( 0.000 -10.717 0.000) 10.717 3.902 ( 0.000 -0.905 0.000) 0.905 4.055 ( 0.000 0.970 0.000) 0.970 4.196 ( 0.000 13.949 0.000) 13.949 4.560 ( 0.000 4.097 0.000) 4.097 4.577 ( 0.000 5.678 0.000) 5.678 4.647 ( 0.000 -6.200 0.000) 6.200 4.912 ( 0.000 -12.084 0.000) 12.084 5.001 ( 0.000 -3.515 0.000) 3.515 5.024 ( 0.000 2.056 0.000) 2.056 5.279 ( 0.000 -11.352 0.000) 11.352 5.568 ( 0.000 -2.767 0.000) 2.767 5.576 ( 0.000 5.723 0.000) 5.723 5.861 ( 0.000 -2.772 0.000) 2.772 6.233 ( 0.000 3.492 0.000) 3.492 6.274 ( 0.000 2.507 0.000) 2.507 6.615 ( 0.000 7.034 0.000) 7.034 6.660 ( 0.000 3.872 0.000) 3.872 6.791 ( 0.000 -2.680 0.000) 2.680 6.877 ( 0.000 0.283 0.000) 0.283 7.148 ( 0.000 -2.791 0.000) 2.791 7.174 ( 0.000 -4.148 0.000) 4.148 7.538 ( 0.000 9.490 0.000) 9.490 7.963 ( 0.000 -0.281 0.000) 0.281 8.010 ( 0.000 9.573 0.000) 9.573 8.074 ( 0.000 -4.833 0.000) 4.833 8.671 ( 0.000 6.557 0.000) 6.557 8.674 ( 0.000 -1.149 0.000) 1.149 8.739 ( 0.000 0.265 0.000) 0.265 9.187 ( 0.000 -4.926 0.000) 4.926 9.708 ( 0.000 1.854 0.000) 1.854 9.895 ( 0.000 -11.370 0.000) 11.370 10.482 ( 0.000 -3.382 0.000) 3.382 10.555 ( 0.000 -4.102 0.000) 4.102 11.405 ( 0.000 1.044 0.000) 1.044 11.476 ( 0.000 2.383 0.000) 2.383 11.662 ( 0.000 7.993 0.000) 7.993 11.724 ( 0.000 7.302 0.000) 7.302 12.123 ( 0.000 9.272 0.000) 9.272 12.159 ( 0.000 -11.523 0.000) 11.523 12.334 ( 0.000 -9.936 0.000) 9.936 12.613 ( 0.000 -6.374 0.000) 6.374 13.264 ( 0.000 3.226 0.000) 3.226 13.637 ( 0.000 -7.792 0.000) 7.792 17.364 ( 0.000 15.115 0.000) 15.115 17.982 ( 0.000 28.404 0.000) 28.404 18.222 ( 0.000 29.139 0.000) 29.139 18.679 ( 0.000 -26.150 0.000) 26.150 19.641 ( 0.000 -17.776 0.000) 17.776 19.867 ( 0.000 -16.594 0.000) 16.594 19.937 ( 0.000 0.011 0.000) 0.011 19.986 ( 0.000 -2.267 0.000) 2.267 22.380 ( 0.000 7.451 0.000) 7.451 22.730 ( 0.000 -4.815 0.000) 4.815 22.971 ( 0.000 7.021 0.000) 7.021 23.191 ( 0.000 0.262 0.000) 0.262 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 4.142 28.186 13.985) 31.736 2.379 ( -9.188 32.310 4.926) 33.950 3.394 ( 2.221 2.379 -3.761) 4.973 3.604 ( 8.815 2.451 0.747) 9.180 3.726 ( 7.098 -3.658 5.993) 9.984 3.911 ( 2.060 7.612 -1.907) 8.113 4.081 ( 2.507 -6.156 -0.142) 6.648 4.203 ( 0.125 17.443 2.824) 17.670 4.395 ( -5.118 4.946 -6.078) 9.359 4.576 ( -3.406 -9.614 -3.186) 10.686 4.631 ( -1.346 9.825 3.365) 10.472 4.869 ( 3.601 -13.256 -8.724) 16.273 4.975 ( -0.155 -2.879 1.959) 3.486 5.196 ( 1.890 -0.627 11.852) 12.019 5.419 ( 9.472 -3.755 7.635) 12.733 5.449 ( -4.049 7.337 -9.253) 12.483 5.773 ( 9.584 -2.998 8.863) 13.393 5.880 ( 1.532 -2.056 0.706) 2.659 6.127 ( -4.899 2.448 -0.295) 5.484 6.316 ( -4.910 1.341 4.033) 6.493 6.453 ( -10.688 6.682 -5.025) 13.570 6.603 ( -6.713 -0.522 -7.219) 9.872 6.746 ( -6.650 -1.700 8.067) 10.592 6.879 ( 3.285 -1.381 -3.717) 5.149 7.052 ( -8.447 -1.750 0.388) 8.635 7.153 ( -3.403 -2.612 1.474) 4.536 7.589 ( 1.576 6.373 -4.639) 8.039 7.887 ( 0.489 2.746 4.285) 5.113 8.038 ( 0.927 8.423 1.884) 8.681 8.260 ( 10.952 -3.947 2.389) 11.884 8.575 ( -4.692 -2.979 -5.623) 7.906 8.674 ( 0.916 6.267 -4.064) 7.525 8.749 ( 0.564 2.574 1.670) 3.119 9.208 ( 1.929 -5.360 -0.086) 5.698 9.742 ( 3.275 1.687 0.680) 3.746 9.898 ( -1.262 -9.077 3.157) 9.693 10.496 ( 2.007 -2.323 -1.511) 3.422 10.555 ( -2.728 -2.588 2.884) 4.739 11.125 ( -12.065 8.594 -6.933) 16.355 11.422 ( -2.752 -1.066 -4.718) 5.565 11.643 ( -1.077 6.671 -1.650) 6.956 11.844 ( -0.402 7.776 3.935) 8.724 12.169 ( 5.900 -8.599 -3.422) 10.976 12.328 ( 6.045 -5.012 0.920) 7.906 12.390 ( 12.463 -3.296 5.519) 14.023 12.644 ( 5.056 -5.714 -0.277) 7.634 13.301 ( 6.481 2.228 -3.129) 7.534 13.612 ( 1.160 -6.996 -5.648) 9.066 17.348 ( -5.248 14.283 6.177) 16.423 18.107 ( 12.815 27.718 1.406) 30.570 18.280 ( 7.044 27.587 -0.935) 28.487 18.614 ( -8.391 -23.152 2.393) 24.742 19.683 ( 4.266 -16.045 -0.072) 16.603 19.849 ( -0.006 -2.700 -11.842) 12.145 19.867 ( 0.327 -3.845 -10.402) 11.095 19.979 ( 5.444 -11.520 -1.903) 12.883 22.393 ( -2.174 6.325 4.977) 8.337 22.687 ( -7.678 -4.257 3.923) 9.616 22.972 ( -3.079 5.935 4.506) 8.063 23.156 ( -6.245 0.373 3.866) 7.354 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -4.366 26.533 10.197) 28.758 2.686 ( 9.124 21.523 19.391) 30.372 3.382 ( 1.237 -4.444 -3.767) 5.956 3.713 ( 2.974 -1.606 -0.077) 3.380 3.784 ( -1.457 5.474 -2.430) 6.164 3.978 ( 3.467 -1.322 3.172) 4.882 4.113 ( -2.908 -9.613 4.606) 11.049 4.237 ( 2.690 4.545 0.216) 5.286 4.418 ( 7.622 6.987 1.756) 10.488 4.483 ( 0.010 -6.639 -5.688) 8.743 4.675 ( 2.548 8.629 0.542) 9.014 4.815 ( 4.006 -5.548 -8.130) 10.626 5.056 ( 4.140 -0.984 4.390) 6.114 5.199 ( -7.244 6.263 -11.603) 15.045 5.347 ( -2.347 -0.820 11.725) 11.986 5.656 ( 5.330 4.588 6.434) 9.533 5.829 ( 0.283 -1.607 -7.744) 7.914 5.897 ( -9.951 0.845 -8.203) 12.924 6.125 ( -5.813 4.380 7.288) 10.300 6.222 ( -6.067 -0.907 1.829) 6.402 6.281 ( 3.382 -3.678 12.691) 13.639 6.500 ( -4.865 -0.932 1.598) 5.205 6.735 ( -2.577 -2.823 4.040) 5.561 6.858 ( -3.453 -4.282 -1.342) 5.662 6.912 ( -7.284 2.615 -0.518) 7.757 7.126 ( -1.071 -0.150 2.057) 2.324 7.475 ( -5.136 0.603 -2.303) 5.661 8.002 ( -3.053 0.720 1.738) 3.586 8.116 ( 11.347 10.178 1.563) 15.323 8.315 ( -6.046 -3.042 -1.763) 6.994 8.533 ( 9.011 -0.457 -4.091) 9.907 8.619 ( 0.441 8.319 -5.677) 10.082 8.801 ( 1.405 1.328 3.736) 4.206 9.224 ( -0.079 -6.501 -0.668) 6.536 9.819 ( 5.180 1.073 0.082) 5.290 9.946 ( 0.231 -4.479 6.630) 8.004 10.449 ( -5.105 3.443 -2.653) 6.704 10.539 ( -0.394 -2.087 -1.352) 2.517 10.982 ( 3.028 7.961 -5.632) 10.211 11.306 ( -4.562 -2.396 -2.021) 5.535 11.654 ( 3.435 7.883 -1.267) 8.692 11.810 ( -4.111 7.556 -0.100) 8.603 12.183 ( 0.900 -7.183 -2.557) 7.678 12.326 ( -2.026 -6.857 -0.728) 7.187 12.720 ( 13.703 -3.317 1.197) 14.149 12.805 ( 12.057 -5.295 3.698) 13.678 13.390 ( 9.923 0.596 -6.402) 11.824 13.559 ( 3.474 -4.863 -8.898) 10.719 17.367 ( -4.259 11.497 11.510) 16.817 18.348 ( -2.953 0.989 2.471) 3.976 18.402 ( 15.862 23.486 2.795) 28.478 18.559 ( 6.242 9.310 -0.163) 11.210 19.622 ( -3.299 -4.193 -18.060) 18.831 19.651 ( 0.803 1.262 -19.936) 19.992 19.807 ( 4.645 -10.601 -0.352) 11.579 20.094 ( 8.107 -11.603 -1.433) 14.227 22.415 ( -4.373 3.136 7.678) 9.376 22.583 ( -11.734 -3.824 7.311) 14.344 22.973 ( -5.054 3.105 7.312) 9.416 23.097 ( -7.025 -0.752 5.542) 8.979 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 7.856 14.277 16.579) 23.247 3.023 ( 6.068 13.425 13.752) 20.154 3.357 ( -3.007 -5.890 4.144) 7.804 3.670 ( 4.146 12.717 -12.932) 18.605 3.788 ( 2.025 0.230 -0.007) 2.038 4.046 ( -6.586 -8.889 4.089) 11.795 4.110 ( 3.606 -5.576 6.141) 9.045 4.265 ( -1.437 2.695 -1.761) 3.525 4.462 ( 2.308 -1.358 -0.862) 2.813 4.510 ( 1.613 -10.625 -2.941) 11.142 4.678 ( 0.683 -0.710 0.470) 1.092 4.831 ( 3.534 5.496 -5.443) 8.504 4.929 ( -10.022 -0.507 -12.945) 16.379 5.179 ( 6.079 1.170 -0.086) 6.192 5.360 ( -7.478 -2.685 7.569) 10.973 5.566 ( -7.356 -5.796 -9.659) 13.453 5.721 ( 0.417 5.524 -4.396) 7.072 5.845 ( -1.759 12.918 8.305) 15.458 6.074 ( -6.509 -8.038 4.658) 11.343 6.181 ( -0.161 1.914 3.277) 3.798 6.360 ( -9.814 -1.139 -1.087) 9.940 6.641 ( -0.351 -1.158 10.963) 11.029 6.662 ( -1.340 -1.150 -0.826) 1.950 6.811 ( -1.224 2.251 4.044) 4.788 6.868 ( 1.218 -1.701 5.565) 5.945 7.187 ( 5.469 -1.143 2.790) 6.245 7.439 ( -0.343 1.879 3.945) 4.383 7.874 ( -9.440 -1.762 -1.817) 9.773 8.151 ( -3.105 5.525 -3.285) 7.138 8.393 ( 11.643 6.864 2.825) 13.808 8.535 ( 1.211 7.091 -8.233) 10.933 8.658 ( 6.562 2.621 -1.682) 7.264 8.868 ( -0.110 -1.578 5.358) 5.587 9.181 ( -3.060 -6.841 -1.959) 7.746 9.919 ( 5.765 1.348 1.226) 6.047 10.047 ( 1.576 -1.399 7.118) 7.423 10.320 ( -4.163 5.225 -4.789) 8.220 10.472 ( -2.807 -1.901 -5.462) 6.428 11.023 ( 7.337 6.732 -5.152) 11.211 11.228 ( -1.990 0.218 -3.369) 3.919 11.693 ( 1.341 6.380 -0.344) 6.528 11.757 ( -1.335 6.238 1.285) 6.508 12.178 ( 1.228 -5.127 -0.149) 5.274 12.271 ( -1.760 -4.485 -2.824) 5.584 12.916 ( 8.227 -2.068 3.502) 9.177 13.023 ( 7.833 -5.731 2.303) 9.975 13.452 ( 8.629 -0.101 -9.725) 13.002 13.542 ( 6.695 -2.398 -8.740) 11.268 17.487 ( -0.729 7.477 16.139) 17.802 18.246 ( -13.575 -14.176 10.267) 22.151 18.642 ( 14.359 21.256 -10.002) 27.533 18.819 ( 19.724 24.216 1.428) 31.265 19.312 ( -4.524 -2.789 -21.100) 21.759 19.450 ( 5.003 5.474 -18.728) 20.142 19.881 ( 1.364 -4.786 2.703) 5.663 20.172 ( 3.314 -4.351 -2.865) 6.174 22.416 ( -6.422 -1.957 7.760) 10.261 22.495 ( -8.835 -4.580 7.765) 12.622 22.975 ( -5.188 -0.760 7.551) 9.193 23.051 ( -6.224 -2.960 5.191) 8.628 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 14.246 3.326 19.220) 24.155 3.181 ( -1.582 0.638 9.092) 9.251 3.411 ( -2.073 5.559 9.216) 10.961 3.579 ( 5.607 7.684 -15.992) 18.607 3.823 ( 5.230 6.375 -5.382) 9.847 3.991 ( -5.010 -4.616 5.679) 8.869 4.140 ( -5.190 0.734 -4.534) 6.930 4.276 ( 5.147 -10.369 -8.101) 14.129 4.384 ( -3.597 -1.481 0.819) 3.975 4.556 ( 5.573 -3.489 0.549) 6.598 4.642 ( -5.896 -5.925 -3.022) 8.889 4.713 ( -2.370 -5.769 5.586) 8.373 4.824 ( 2.911 2.174 -3.364) 4.951 5.128 ( -8.196 -3.364 -10.408) 13.668 5.338 ( -1.953 -0.808 0.389) 2.149 5.382 ( -9.396 -7.378 5.717) 13.244 5.732 ( 2.071 -1.086 -3.528) 4.232 5.816 ( -7.325 2.772 3.476) 8.569 6.002 ( -11.012 -2.429 4.621) 12.187 6.165 ( -0.530 1.355 -5.404) 5.596 6.237 ( -1.033 1.406 -2.318) 2.901 6.601 ( -1.891 3.090 -0.283) 3.633 6.647 ( 3.608 -3.750 1.650) 5.459 6.901 ( -1.769 1.180 2.346) 3.167 7.075 ( 6.503 5.253 11.114) 13.907 7.380 ( 9.092 -1.017 7.758) 11.995 7.527 ( 1.813 2.253 7.835) 8.352 7.721 ( -6.871 2.479 1.378) 7.433 8.091 ( -0.442 10.031 -1.650) 10.176 8.433 ( -0.762 10.266 -10.313) 14.571 8.590 ( 7.478 4.198 1.647) 8.733 8.729 ( 4.187 1.838 -0.598) 4.612 8.920 ( -1.184 -5.179 5.671) 7.771 9.091 ( -3.125 -5.773 -3.773) 7.572 10.025 ( 3.808 1.740 1.928) 4.609 10.150 ( 1.479 0.972 5.394) 5.677 10.203 ( -2.905 3.048 -5.074) 6.593 10.352 ( -2.268 -0.776 -5.381) 5.891 11.055 ( 3.849 4.814 -6.853) 9.217 11.145 ( -1.429 1.147 -4.484) 4.845 11.711 ( 0.993 6.185 1.701) 6.491 11.792 ( 1.262 5.114 2.689) 5.914 12.186 ( -1.157 -2.122 -3.227) 4.031 12.238 ( 1.810 -3.654 1.004) 4.200 13.079 ( 4.787 -1.313 5.062) 7.090 13.141 ( 3.807 -2.766 3.155) 5.665 13.469 ( 6.516 -0.310 -8.673) 10.852 13.541 ( 4.938 -1.399 -9.084) 10.433 17.716 ( 2.747 3.283 19.314) 19.783 18.183 ( -11.833 -10.654 15.707) 22.366 18.626 ( 7.659 9.949 -22.709) 25.949 18.889 ( -2.866 0.768 -22.841) 23.033 19.268 ( 16.897 18.119 4.541) 25.188 19.446 ( 13.328 15.519 -9.103) 22.390 19.901 ( -3.974 3.529 4.214) 6.782 20.123 ( -4.327 4.219 -4.094) 7.300 22.400 ( -4.469 -6.420 5.797) 9.736 22.459 ( -5.275 -6.209 5.301) 9.720 22.977 ( -3.618 -4.671 5.223) 7.886 23.010 ( -4.888 -5.429 3.805) 8.237 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -3.227 0.463 11.931) 12.368 3.330 ( 8.789 1.316 8.294) 12.156 3.428 ( 4.319 2.562 -0.736) 5.076 3.522 ( 1.561 3.833 -3.638) 5.510 3.778 ( -2.371 5.076 -9.554) 11.075 3.995 ( -6.401 -2.087 6.736) 9.524 4.018 ( 2.683 -3.496 -9.991) 10.920 4.082 ( -2.811 1.113 -3.413) 4.560 4.550 ( 5.605 -2.417 4.802) 7.766 4.601 ( 1.411 -3.182 -1.905) 3.968 4.660 ( 8.473 -5.023 -3.838) 10.571 4.723 ( -6.268 -4.361 8.594) 11.497 4.847 ( -3.592 -8.103 -3.734) 9.618 4.936 ( 4.843 -6.003 2.593) 8.137 5.194 ( -10.503 -4.430 -5.875) 12.824 5.258 ( -9.368 -9.000 0.531) 13.001 5.687 ( -0.009 -5.867 -2.326) 6.311 5.753 ( -3.358 -0.883 1.634) 3.838 5.931 ( -3.535 5.078 4.002) 7.369 6.078 ( 0.135 2.548 -4.650) 5.304 6.271 ( 2.407 3.858 0.605) 4.587 6.559 ( -0.266 2.160 -1.433) 2.605 6.749 ( 2.549 -4.783 0.537) 5.446 6.892 ( -0.532 -1.258 0.482) 1.448 7.206 ( 1.197 7.938 2.305) 8.352 7.569 ( 1.853 -2.607 3.693) 4.886 7.651 ( 1.936 2.255 4.937) 5.762 7.712 ( 1.177 5.845 4.696) 7.590 8.102 ( 0.980 14.989 3.037) 15.325 8.273 ( -2.753 14.419 -9.872) 17.691 8.658 ( 0.564 3.442 0.355) 3.506 8.806 ( 4.292 1.574 -0.328) 4.583 8.963 ( -3.568 -8.154 7.844) 11.864 9.006 ( 1.046 -6.016 -6.897) 9.212 10.052 ( -1.130 0.811 -0.667) 1.542 10.126 ( -0.049 1.248 -2.373) 2.681 10.212 ( 0.163 1.670 2.635) 3.124 10.307 ( 0.720 2.516 -1.068) 2.826 11.004 ( -0.358 2.958 -3.495) 4.593 11.104 ( 0.509 -0.225 -2.146) 2.217 11.754 ( 0.741 7.315 1.758) 7.560 11.837 ( 1.043 4.910 1.000) 5.118 12.124 ( -1.302 -0.258 -1.978) 2.383 12.283 ( 1.202 -3.991 0.585) 4.209 13.186 ( 1.211 0.325 4.230) 4.412 13.230 ( 2.096 -0.384 1.938) 2.880 13.468 ( 2.169 -0.978 -3.358) 4.115 13.499 ( 1.573 -1.404 -6.084) 6.439 17.999 ( 3.620 -0.357 16.187) 16.591 18.215 ( -6.541 -6.488 14.132) 16.870 18.460 ( 3.880 2.855 -17.035) 17.703 18.557 ( -3.954 -0.716 -18.423) 18.856 19.591 ( 10.339 17.712 -4.220) 20.939 19.623 ( 16.105 16.856 5.640) 23.986 19.852 ( -6.441 11.195 3.126) 13.288 19.939 ( -10.709 11.386 -4.581) 16.288 22.405 ( -0.786 -7.933 2.230) 8.278 22.436 ( -2.388 -8.018 1.740) 8.545 22.972 ( -1.389 -7.233 1.189) 7.460 22.986 ( -1.846 -7.263 2.024) 7.763 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.000 26.644 0.000) 26.644 3.059 ( 0.000 24.769 0.000) 24.769 3.235 ( 0.000 -21.703 0.000) 21.703 3.492 ( 0.000 -17.109 0.000) 17.109 3.577 ( 0.000 11.509 0.000) 11.509 3.783 ( 0.000 -6.916 0.000) 6.916 4.127 ( 0.000 6.601 0.000) 6.601 4.324 ( 0.000 -12.887 0.000) 12.887 4.635 ( 0.000 1.089 0.000) 1.089 4.648 ( 0.000 8.931 0.000) 8.931 4.738 ( 0.000 4.588 0.000) 4.588 4.918 ( 0.000 15.854 0.000) 15.854 4.954 ( 0.000 -9.433 0.000) 9.433 5.108 ( 0.000 14.259 0.000) 14.259 5.129 ( 0.000 -5.490 0.000) 5.490 5.428 ( 0.000 -11.683 0.000) 11.683 5.682 ( 0.000 4.737 0.000) 4.737 5.781 ( 0.000 -5.162 0.000) 5.162 6.303 ( 0.000 2.459 0.000) 2.459 6.312 ( 0.000 1.164 0.000) 1.164 6.718 ( 0.000 2.221 0.000) 2.221 6.718 ( 0.000 1.675 0.000) 1.675 6.759 ( 0.000 0.794 0.000) 0.794 6.830 ( 0.000 -4.621 0.000) 4.621 7.071 ( 0.000 -2.041 0.000) 2.041 7.090 ( 0.000 -2.598 0.000) 2.598 7.766 ( 0.000 10.519 0.000) 10.519 7.919 ( 0.000 -4.325 0.000) 4.325 8.025 ( 0.000 0.471 0.000) 0.471 8.078 ( 0.000 -2.772 0.000) 2.772 8.688 ( 0.000 5.221 0.000) 5.221 8.748 ( 0.000 0.760 0.000) 0.760 8.826 ( 0.000 5.823 0.000) 5.823 9.010 ( 0.000 -11.258 0.000) 11.258 9.732 ( 0.000 0.785 0.000) 0.785 9.760 ( 0.000 -2.804 0.000) 2.804 10.449 ( 0.000 0.119 0.000) 0.119 10.482 ( 0.000 -2.868 0.000) 2.868 11.444 ( 0.000 2.641 0.000) 2.641 11.490 ( 0.000 -1.196 0.000) 1.196 11.826 ( 0.000 7.133 0.000) 7.133 11.885 ( 0.000 9.736 0.000) 9.736 11.963 ( 0.000 -7.689 0.000) 7.689 12.111 ( 0.000 -11.768 0.000) 11.768 12.304 ( 0.000 8.650 0.000) 8.650 12.470 ( 0.000 -7.713 0.000) 7.713 13.351 ( 0.000 5.471 0.000) 5.471 13.482 ( 0.000 -7.326 0.000) 7.326 17.719 ( 0.000 19.984 0.000) 19.984 18.164 ( 0.000 -23.780 0.000) 23.780 18.556 ( 0.000 26.192 0.000) 26.192 18.758 ( 0.000 18.294 0.000) 18.294 19.263 ( 0.000 -14.311 0.000) 14.311 19.460 ( 0.000 -21.954 0.000) 21.954 19.946 ( 0.000 0.687 0.000) 0.687 19.962 ( 0.000 -0.891 0.000) 0.891 22.515 ( 0.000 6.039 0.000) 6.039 22.628 ( 0.000 -5.269 0.000) 5.269 23.096 ( 0.000 5.108 0.000) 5.108 23.171 ( 0.000 -2.318 0.000) 2.318 ======================= Grid point 45 (26/170) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 2.943 24.558 10.142) 26.732 2.961 ( -8.272 25.030 0.882) 26.376 3.296 ( -0.648 -18.012 3.667) 18.393 3.373 ( -3.631 -14.206 1.481) 14.737 3.735 ( 10.404 4.999 1.956) 11.707 3.877 ( 7.058 -5.327 2.557) 9.205 4.057 ( -5.197 3.836 -2.099) 6.792 4.225 ( -6.845 -12.648 -3.482) 14.797 4.545 ( 0.285 5.154 -10.132) 11.372 4.626 ( -0.355 -1.873 -12.709) 12.852 4.747 ( 2.202 12.011 3.527) 12.710 4.865 ( 3.428 6.294 -6.144) 9.440 4.982 ( 0.697 2.423 2.165) 3.323 5.080 ( 2.974 -7.427 8.171) 11.435 5.478 ( 13.097 8.717 14.831) 21.621 5.585 ( 4.725 3.802 -1.666) 6.290 5.702 ( 2.973 -2.011 8.184) 8.937 5.789 ( 1.434 -7.714 2.578) 8.259 6.202 ( -9.598 4.771 1.321) 10.800 6.296 ( -7.598 -3.476 3.086) 8.907 6.555 ( -16.240 3.281 -3.766) 16.990 6.635 ( -11.212 0.653 -0.085) 11.231 6.683 ( -1.578 -0.445 -1.205) 2.035 6.790 ( 1.475 -6.258 -5.515) 8.471 7.041 ( -4.795 1.073 3.698) 6.150 7.084 ( -4.355 -3.035 5.826) 7.882 7.753 ( -3.964 9.493 -5.980) 11.899 7.920 ( 2.050 -3.798 -1.039) 4.440 8.092 ( 5.137 1.606 0.705) 5.428 8.175 ( 12.315 -4.739 1.190) 13.249 8.612 ( -4.251 6.687 -2.673) 8.362 8.723 ( -0.953 -2.549 -2.988) 4.042 8.855 ( 2.447 7.727 0.002) 8.106 9.039 ( 1.809 -10.111 0.738) 10.298 9.766 ( 2.837 0.984 1.191) 3.231 9.794 ( 1.334 -2.252 3.921) 4.715 10.475 ( 2.387 0.308 0.088) 2.408 10.503 ( 0.756 -2.254 1.462) 2.791 11.269 ( -10.684 5.899 -3.386) 12.665 11.370 ( -8.088 -3.996 -3.407) 9.643 11.812 ( 3.626 9.595 -4.878) 11.358 11.993 ( -1.638 1.661 2.197) 3.204 12.004 ( 9.027 -2.717 -4.017) 10.247 12.162 ( 0.287 -8.985 4.149) 9.901 12.424 ( 13.085 4.192 1.767) 13.853 12.527 ( 7.866 -5.724 0.074) 9.729 13.366 ( 4.722 4.316 -4.022) 7.556 13.475 ( 2.797 -6.297 -4.928) 8.471 17.685 ( -6.972 18.982 5.361) 20.921 18.107 ( -8.817 -22.515 4.142) 24.532 18.665 ( 11.438 25.680 0.864) 28.125 18.847 ( 10.714 19.685 -1.260) 22.447 19.323 ( 6.270 -14.663 0.512) 15.956 19.519 ( 7.460 -21.772 -2.015) 23.102 19.869 ( -0.452 0.919 -11.752) 11.797 19.892 ( -0.155 -1.453 -10.420) 10.522 22.506 ( -4.405 5.046 4.667) 8.164 22.601 ( -6.332 -4.392 4.321) 8.834 23.079 ( -4.940 4.366 4.169) 7.801 23.142 ( -5.988 -1.868 3.921) 7.397 ======================= Grid point 46 (27/170) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -8.079 22.702 3.878) 24.407 3.100 ( 2.375 13.660 9.791) 16.974 3.210 ( -3.283 -7.525 4.156) 9.202 3.512 ( 2.466 -16.003 12.160) 20.250 3.912 ( 6.398 6.468 0.774) 9.130 3.948 ( -1.506 2.415 -0.679) 2.926 3.989 ( -2.130 -3.914 1.965) 4.870 4.151 ( 4.229 -12.988 0.895) 13.688 4.433 ( 3.169 5.314 -13.054) 14.446 4.495 ( 1.032 -1.263 -9.471) 9.610 4.758 ( 0.360 6.745 -4.743) 8.253 4.882 ( 6.492 -1.322 -8.803) 11.018 5.093 ( 2.739 4.528 7.582) 9.246 5.209 ( -0.699 -5.755 5.621) 8.075 5.418 ( -10.147 10.478 -5.525) 15.597 5.645 ( -7.963 -10.605 -8.680) 15.850 5.860 ( 4.733 11.001 14.831) 19.063 5.974 ( -2.397 0.844 3.370) 4.221 6.121 ( -7.105 -0.150 -0.035) 7.107 6.202 ( 7.047 -4.874 13.618) 16.089 6.319 ( -13.125 7.571 7.839) 17.060 6.463 ( -12.627 -4.686 6.509) 14.959 6.665 ( 2.801 -1.275 -4.142) 5.160 6.728 ( -0.981 -6.194 -3.289) 7.081 6.997 ( -4.921 4.937 1.739) 7.184 7.088 ( -1.917 -3.579 3.578) 5.411 7.592 ( -5.969 10.203 -2.579) 12.099 7.837 ( -6.768 -12.690 -1.750) 14.488 8.280 ( 11.900 5.373 0.235) 13.059 8.335 ( 4.163 0.395 -1.546) 4.458 8.568 ( 5.641 4.940 -3.865) 8.435 8.678 ( 1.583 -3.510 -4.193) 5.693 8.884 ( -0.602 7.871 2.074) 8.161 9.061 ( -0.743 -8.966 0.930) 9.045 9.847 ( 4.274 1.850 2.291) 5.190 9.888 ( 2.911 -2.115 5.409) 6.496 10.488 ( -1.232 1.135 -1.800) 2.459 10.509 ( -0.780 -1.106 -1.054) 1.715 11.134 ( 0.492 6.533 -3.960) 7.655 11.241 ( -2.056 -4.139 -2.483) 5.247 11.823 ( 2.549 8.340 -3.352) 9.343 11.929 ( -4.585 1.475 -1.755) 5.126 12.071 ( 4.398 -1.319 -2.829) 5.393 12.173 ( -0.618 -7.786 0.131) 7.812 12.688 ( 13.073 0.138 1.858) 13.205 12.721 ( 11.874 -3.006 2.713) 12.545 13.414 ( 8.579 1.912 -7.338) 11.450 13.471 ( 6.255 -3.723 -8.181) 10.951 17.646 ( -8.035 15.961 10.494) 20.723 18.003 ( -11.542 -19.179 8.503) 23.944 18.912 ( 15.467 23.486 0.002) 28.121 19.047 ( 15.897 21.519 -4.679) 27.160 19.435 ( 5.000 -12.425 -4.525) 14.137 19.573 ( 6.377 -13.772 -10.096) 18.228 19.694 ( 1.766 3.136 -16.730) 17.113 19.822 ( 8.190 -11.568 -5.717) 15.283 22.472 ( -8.317 2.583 7.488) 11.485 22.522 ( -10.965 -2.512 7.533) 13.538 23.033 ( -7.916 2.669 6.667) 10.688 23.076 ( -8.557 -1.515 6.015) 10.568 ======================= Grid point 47 (28/170) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -1.485 15.869 10.912) 19.315 3.078 ( -5.194 -10.092 4.969) 12.390 3.405 ( 4.497 12.721 12.721) 18.543 3.674 ( 2.369 -11.290 7.261) 13.631 3.897 ( 0.711 3.819 -1.267) 4.086 3.971 ( -0.874 -0.119 0.225) 0.910 4.027 ( 6.090 5.149 -2.585) 8.383 4.263 ( 4.774 -12.626 -3.957) 14.067 4.357 ( -0.410 5.489 -2.890) 6.217 4.437 ( 1.661 -1.926 -3.416) 4.259 4.663 ( -5.097 1.725 -2.237) 5.828 4.765 ( -8.970 -7.126 -9.836) 15.099 5.074 ( -6.373 9.227 -6.941) 13.189 5.201 ( 0.320 0.342 0.643) 0.796 5.306 ( -3.560 -2.232 2.872) 5.089 5.372 ( -8.175 -10.475 -7.995) 15.507 5.851 ( -4.605 6.371 -1.879) 8.082 5.943 ( -8.949 -3.442 1.224) 9.666 6.134 ( -3.142 11.176 8.411) 14.336 6.251 ( -2.166 4.110 3.178) 5.629 6.310 ( -8.927 -2.315 5.401) 10.687 6.470 ( -4.649 -11.713 4.626) 13.424 6.720 ( 6.899 4.285 5.262) 9.677 6.802 ( 5.046 -3.539 5.669) 8.374 6.948 ( 1.295 9.090 2.658) 9.559 7.119 ( 3.473 -6.302 2.669) 7.675 7.541 ( -1.059 7.871 3.374) 8.629 7.729 ( -5.160 -9.789 1.435) 11.158 8.316 ( -0.310 8.236 -2.286) 8.553 8.434 ( 5.847 -2.732 -0.159) 6.455 8.640 ( 6.860 4.383 -4.687) 9.394 8.714 ( 7.793 -1.048 -4.064) 8.852 8.882 ( -3.706 5.564 3.640) 7.612 9.033 ( -3.079 -7.801 0.064) 8.387 9.958 ( 4.653 2.463 3.615) 6.386 10.009 ( 3.258 -2.319 6.038) 7.242 10.398 ( -3.582 2.613 -5.166) 6.808 10.437 ( -3.010 -1.605 -5.252) 6.263 11.149 ( 5.263 5.091 -5.154) 8.954 11.217 ( 1.820 -1.695 -4.248) 4.923 11.807 ( -0.600 4.486 -1.114) 4.661 11.846 ( -2.745 1.540 0.220) 3.155 12.114 ( 3.996 -0.218 -1.361) 4.226 12.173 ( 1.680 -4.839 -2.044) 5.515 12.896 ( 8.527 0.264 3.766) 9.325 12.931 ( 8.296 -3.223 3.442) 9.543 13.462 ( 8.997 1.149 -9.935) 13.453 13.496 ( 8.602 -2.082 -9.402) 12.913 17.681 ( -5.767 11.512 15.499) 20.149 17.945 ( -10.435 -14.415 13.474) 22.321 19.014 ( 6.185 13.575 -19.455) 24.516 19.174 ( 3.513 -0.270 -21.375) 21.664 19.352 ( 11.215 15.980 -1.555) 19.585 19.629 ( 11.781 9.020 -6.912) 16.368 19.701 ( 9.000 -8.817 0.934) 12.634 19.964 ( 11.558 -15.063 -3.276) 19.267 22.400 ( -11.139 0.542 8.319) 13.913 22.431 ( -10.595 -2.291 8.136) 13.554 22.974 ( -8.460 0.704 6.701) 10.816 23.001 ( -8.617 -1.930 5.776) 10.552 ======================= Grid point 48 (29/170) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 4.869 6.052 16.559) 18.290 3.115 ( -2.376 -5.255 12.332) 13.614 3.578 ( 2.457 9.211 5.378) 10.945 3.710 ( 0.485 0.010 -7.984) 7.999 3.906 ( 0.326 2.325 -3.106) 3.893 3.968 ( 4.946 6.521 0.438) 8.196 4.073 ( -2.190 -7.470 -11.639) 14.002 4.141 ( 2.199 -5.674 -7.917) 9.985 4.347 ( -2.457 1.617 4.519) 5.392 4.461 ( -0.587 -7.128 2.280) 7.506 4.566 ( -3.092 0.928 3.557) 4.804 4.615 ( -2.700 -3.448 5.267) 6.850 4.880 ( -7.367 3.673 -5.462) 9.879 5.011 ( -14.547 -8.203 -6.167) 17.803 5.268 ( -2.251 -1.667 -2.471) 3.735 5.295 ( -1.134 -2.914 -3.520) 4.708 5.727 ( -5.784 2.387 -2.473) 6.728 5.795 ( -8.163 -3.240 0.110) 8.783 6.092 ( -7.406 6.380 4.267) 10.666 6.180 ( -3.808 -1.792 -3.992) 5.801 6.322 ( 3.317 7.412 1.872) 8.333 6.501 ( 4.553 -9.221 2.026) 10.482 6.728 ( -2.747 7.833 -1.174) 8.383 6.864 ( -1.907 -4.731 -0.024) 5.101 7.197 ( 8.628 6.569 11.020) 15.461 7.318 ( 9.099 -4.855 8.518) 13.376 7.606 ( 1.204 4.908 6.762) 8.442 7.701 ( -1.808 -3.756 4.140) 5.875 8.314 ( 1.416 11.194 1.022) 11.329 8.498 ( 1.811 -5.413 0.623) 5.742 8.690 ( 5.770 6.314 -4.903) 9.858 8.778 ( 5.365 -0.095 -4.560) 7.042 8.851 ( -4.965 1.652 3.892) 6.521 8.969 ( -2.821 -6.592 -2.265) 7.519 10.068 ( 2.186 2.499 3.516) 4.836 10.120 ( 0.605 -2.424 5.379) 5.931 10.278 ( -1.318 3.078 -6.204) 7.050 10.326 ( -0.946 -1.790 -5.357) 5.727 11.134 ( 1.588 2.718 -7.665) 8.287 11.160 ( -0.356 0.000 -6.597) 6.607 11.819 ( 1.179 4.044 2.624) 4.963 11.856 ( 0.795 0.748 3.043) 3.233 12.155 ( 1.986 -0.486 -2.503) 3.233 12.176 ( 2.107 -2.356 -1.389) 3.453 13.069 ( 5.216 0.370 5.960) 7.928 13.093 ( 5.075 -1.914 5.622) 7.812 13.479 ( 6.841 1.163 -10.005) 12.177 13.509 ( 6.226 -1.664 -10.082) 11.965 17.818 ( -2.536 6.687 19.401) 20.677 17.980 ( -7.458 -9.180 18.033) 21.566 18.774 ( 1.221 5.214 -26.692) 27.224 18.855 ( -2.347 -3.035 -26.419) 26.696 19.632 ( 14.144 15.857 4.759) 21.774 19.795 ( 12.901 17.095 -4.780) 21.944 19.869 ( 6.766 -6.571 4.268) 10.353 20.077 ( 6.709 -8.859 -4.741) 12.082 22.322 ( -8.278 -0.875 6.877) 10.798 22.356 ( -8.262 -3.780 6.136) 10.963 22.913 ( -6.581 -1.358 4.522) 8.100 22.926 ( -6.999 -2.606 3.962) 8.454 ======================= Grid point 49 (30/170) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 0.526 1.896 17.234) 17.345 3.314 ( 7.529 -1.792 16.292) 18.037 3.513 ( -1.601 5.436 -16.700) 17.635 3.610 ( -2.656 0.604 -4.716) 5.446 3.775 ( -5.648 0.493 -11.728) 13.026 3.906 ( 0.077 -7.267 0.105) 7.268 4.063 ( 4.916 6.868 -1.920) 8.661 4.130 ( 0.298 1.102 -1.379) 1.790 4.467 ( 6.239 -2.610 6.506) 9.384 4.513 ( 2.948 -4.834 2.841) 6.335 4.605 ( -3.137 0.327 4.456) 5.460 4.654 ( -6.193 -3.639 8.675) 11.263 4.716 ( -4.771 -2.497 -7.664) 9.367 4.777 ( 0.033 -7.710 -0.446) 7.723 5.123 ( -6.195 -1.583 -7.384) 9.767 5.139 ( -6.393 -3.076 -5.355) 8.889 5.664 ( -0.902 2.552 0.428) 2.740 5.726 ( -1.226 -2.496 0.716) 2.871 6.046 ( -3.047 4.609 2.713) 6.155 6.098 ( -1.015 -0.604 -2.391) 2.667 6.402 ( 3.197 8.498 0.370) 9.087 6.590 ( 3.361 -8.989 0.413) 9.605 6.675 ( -1.612 7.184 -1.208) 7.461 6.818 ( -1.457 -5.851 -0.959) 6.105 7.357 ( 1.818 6.954 2.602) 7.644 7.484 ( 2.176 -5.472 2.250) 6.304 7.718 ( 1.630 3.418 5.238) 6.463 7.762 ( 1.184 -0.407 4.135) 4.320 8.386 ( 2.202 11.976 5.269) 13.268 8.492 ( -0.577 4.508 -3.926) 6.006 8.727 ( 2.208 2.835 -0.614) 3.645 8.803 ( 4.070 -1.465 -2.954) 5.238 8.821 ( -3.623 -3.594 4.403) 6.740 8.887 ( -2.108 -5.654 -4.624) 7.602 10.076 ( -1.661 1.574 -0.547) 2.353 10.111 ( -1.767 -1.716 -0.879) 2.615 10.269 ( 1.779 3.097 0.582) 3.619 10.317 ( 1.890 -1.294 -0.266) 2.306 11.056 ( -0.762 2.147 -3.848) 4.472 11.090 ( -0.348 -1.160 -3.380) 3.591 11.878 ( 1.188 4.213 2.265) 4.928 11.905 ( 0.948 1.427 1.472) 2.259 12.134 ( -0.051 1.678 -1.869) 2.512 12.197 ( 1.032 -4.181 -0.495) 4.335 13.201 ( 1.808 0.956 5.158) 5.549 13.219 ( 2.033 -0.777 4.071) 4.616 13.460 ( 2.441 0.208 -5.436) 5.963 13.473 ( 2.109 -1.045 -6.653) 7.057 18.024 ( -0.100 2.638 16.087) 16.302 18.100 ( -3.373 -4.813 15.263) 16.356 18.505 ( 0.875 1.822 -18.221) 18.333 18.536 ( -1.498 -1.276 -18.886) 18.988 19.882 ( 7.914 9.420 1.744) 12.427 19.910 ( 4.633 9.650 2.719) 11.044 19.996 ( 3.808 3.704 0.155) 5.314 20.065 ( -0.990 0.429 -4.694) 4.817 22.290 ( -2.542 -2.800 2.786) 4.697 22.306 ( -3.490 -4.180 2.272) 5.900 22.867 ( -2.599 -2.695 1.232) 3.942 22.874 ( -2.779 -3.277 1.644) 4.601 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 3.110 0.000 35.474) 35.610 0.791 ( 0.354 0.000 36.042) 36.044 1.526 ( -1.492 0.000 69.170) 69.186 2.918 ( -1.906 0.000 -8.865) 9.067 3.061 ( 0.142 0.000 -11.054) 11.055 3.987 ( -3.424 0.000 0.627) 3.481 4.260 ( 6.989 0.000 -4.047) 8.076 4.569 ( 0.536 0.000 17.417) 17.425 4.575 ( -5.398 0.000 4.977) 7.342 4.855 ( -6.114 0.000 8.756) 10.679 4.924 ( 3.771 0.000 -3.883) 5.413 5.080 ( -1.147 0.000 -0.408) 1.217 5.217 ( 8.856 0.000 -4.344) 9.864 5.360 ( -10.633 0.000 -0.687) 10.655 5.568 ( 9.611 0.000 7.348) 12.098 5.743 ( 3.614 0.000 4.992) 6.163 5.765 ( 3.150 0.000 -13.641) 14.000 5.910 ( -4.831 0.000 -0.938) 4.921 5.990 ( 11.772 0.000 4.563) 12.626 6.152 ( -4.733 0.000 -4.477) 6.515 6.384 ( 2.845 0.000 3.028) 4.154 6.454 ( -5.378 0.000 -9.245) 10.695 6.634 ( -9.262 0.000 -2.790) 9.673 6.685 ( -3.857 0.000 -0.459) 3.884 6.888 ( 0.396 0.000 6.513) 6.525 7.226 ( -4.377 0.000 -7.475) 8.662 7.470 ( 11.535 0.000 1.069) 11.584 7.714 ( 0.872 0.000 0.243) 0.906 7.741 ( 9.625 0.000 -14.540) 17.437 8.104 ( -2.583 0.000 -10.069) 10.395 8.538 ( -1.074 0.000 3.627) 3.783 8.721 ( -15.793 0.000 11.166) 19.341 8.889 ( -0.430 0.000 -2.898) 2.930 9.248 ( 0.212 0.000 3.267) 3.274 9.559 ( 0.260 0.000 0.694) 0.741 9.610 ( -0.046 0.000 3.441) 3.441 10.760 ( 4.335 0.000 -1.119) 4.477 10.797 ( -2.298 0.000 -2.043) 3.075 10.915 ( -1.453 0.000 2.460) 2.857 11.132 ( 9.289 0.000 -3.681) 9.992 11.569 ( -9.812 0.000 -2.735) 10.186 11.580 ( 2.564 0.000 -2.440) 3.540 12.656 ( -3.590 0.000 2.250) 4.237 12.670 ( 1.019 0.000 -1.355) 1.696 12.793 ( 3.629 0.000 -1.377) 3.881 13.099 ( 3.648 0.000 2.922) 4.674 13.153 ( -0.614 0.000 -3.077) 3.138 13.559 ( -0.575 0.000 -4.588) 4.624 16.952 ( 0.230 0.000 0.890) 0.920 17.064 ( -0.112 0.000 8.455) 8.456 17.094 ( -1.249 0.000 5.726) 5.861 19.625 ( 1.795 0.000 -23.892) 23.959 19.795 ( -0.066 0.000 0.316) 0.322 19.830 ( 0.318 0.000 -0.160) 0.356 20.230 ( -1.198 0.000 1.201) 1.696 20.406 ( -0.214 0.000 -1.128) 1.148 22.013 ( 0.076 0.000 8.470) 8.470 22.792 ( -0.162 0.000 8.229) 8.230 22.916 ( -0.076 0.000 -4.649) 4.649 23.074 ( -0.304 0.000 1.359) 1.392 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 22.547 0.000 29.594) 37.205 1.454 ( 24.172 0.000 29.161) 37.877 2.465 ( 18.933 0.000 57.768) 60.792 2.820 ( 6.591 0.000 -14.855) 16.252 2.980 ( 9.896 0.000 -15.659) 18.524 3.916 ( -3.107 0.000 -0.142) 3.111 4.236 ( 0.128 0.000 -8.506) 8.507 4.536 ( -7.101 0.000 4.512) 8.413 4.698 ( -16.350 0.000 4.519) 16.963 4.827 ( 0.148 0.000 18.786) 18.786 4.954 ( -3.427 0.000 5.776) 6.716 5.073 ( 0.746 0.000 1.026) 1.269 5.194 ( -5.496 0.000 -0.541) 5.523 5.284 ( 4.534 0.000 -0.930) 4.628 5.650 ( -8.231 0.000 6.867) 10.719 5.670 ( 2.979 0.000 -14.057) 14.369 5.827 ( -8.863 0.000 -0.583) 8.882 5.878 ( 2.055 0.000 8.408) 8.655 6.054 ( 4.580 0.000 -9.184) 10.263 6.281 ( 10.874 0.000 7.859) 13.417 6.303 ( 7.437 0.000 -14.880) 16.635 6.350 ( -8.027 0.000 -8.854) 11.951 6.551 ( -10.840 0.000 -0.337) 10.846 6.634 ( 12.851 0.000 6.218) 14.276 7.019 ( 4.670 0.000 8.673) 9.851 7.033 ( -7.776 0.000 -2.606) 8.201 7.500 ( -7.171 0.000 -3.562) 8.007 7.628 ( -1.790 0.000 -6.292) 6.542 7.755 ( 2.273 0.000 1.955) 2.998 8.045 ( 14.852 0.000 -25.390) 29.415 8.528 ( -1.095 0.000 5.270) 5.383 8.771 ( -8.693 0.000 -4.026) 9.580 8.785 ( -0.307 0.000 15.622) 15.625 9.317 ( 3.160 0.000 2.613) 4.101 9.575 ( 0.271 0.000 1.657) 1.679 9.659 ( 2.024 0.000 1.607) 2.584 10.710 ( -4.229 0.000 -3.405) 5.430 10.754 ( -4.390 0.000 2.459) 5.032 10.899 ( -2.707 0.000 1.248) 2.981 11.162 ( 1.757 0.000 -5.231) 5.518 11.434 ( -3.668 0.000 -0.280) 3.678 11.568 ( -1.110 0.000 -1.597) 1.945 12.590 ( -5.004 0.000 -1.037) 5.110 12.608 ( -5.862 0.000 -0.440) 5.879 12.863 ( 4.214 0.000 2.511) 4.906 13.169 ( 7.042 0.000 -5.625) 9.013 13.314 ( 14.547 0.000 -4.623) 15.264 13.494 ( 0.405 0.000 -5.574) 5.589 17.039 ( 8.434 0.000 1.438) 8.556 17.131 ( 7.869 0.000 -1.544) 8.019 17.306 ( 2.673 0.000 21.224) 21.392 19.331 ( 1.893 0.000 -30.334) 30.393 19.761 ( -4.530 0.000 0.309) 4.540 19.789 ( -4.903 0.000 -0.128) 4.905 20.091 ( -16.402 0.000 1.907) 16.512 20.231 ( -15.543 0.000 1.870) 15.655 22.202 ( 7.674 0.000 11.023) 13.431 22.877 ( 1.786 0.000 -5.831) 6.099 22.908 ( 1.721 0.000 8.815) 8.981 23.147 ( 5.916 0.000 -0.912) 5.985 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 26.471 0.000 24.152) 35.833 2.178 ( 23.785 0.000 24.209) 33.938 2.790 ( 11.967 0.000 -16.080) 20.045 3.008 ( 17.378 0.000 -19.656) 26.236 3.365 ( 17.748 0.000 34.993) 39.237 3.929 ( 2.943 0.000 5.559) 6.290 4.059 ( -6.614 0.000 -10.977) 12.816 4.443 ( -8.475 0.000 3.512) 9.174 4.556 ( -6.527 0.000 4.432) 7.890 4.782 ( -16.849 0.000 -2.332) 17.010 4.994 ( 7.127 0.000 1.911) 7.378 5.117 ( -0.220 0.000 1.237) 1.257 5.276 ( -5.230 0.000 20.819) 21.466 5.303 ( -4.824 0.000 -3.069) 5.717 5.420 ( -10.613 0.000 -4.479) 11.519 5.522 ( 0.082 0.000 -13.132) 13.132 5.784 ( 0.153 0.000 11.833) 11.834 5.874 ( -6.582 0.000 2.701) 7.115 6.072 ( -0.663 0.000 -13.510) 13.526 6.204 ( 10.552 0.000 -2.352) 10.811 6.309 ( 7.472 0.000 -11.355) 13.592 6.341 ( -14.697 0.000 2.504) 14.909 6.594 ( 10.641 0.000 12.281) 16.250 6.841 ( 3.831 0.000 0.353) 3.848 6.924 ( -1.734 0.000 -2.900) 3.379 7.236 ( -9.549 0.000 -12.737) 15.919 7.315 ( 16.128 0.000 12.272) 20.266 7.584 ( -3.807 0.000 4.016) 5.533 7.835 ( 3.945 0.000 2.870) 4.878 7.992 ( 14.862 0.000 -24.088) 28.304 8.514 ( -16.679 0.000 -2.770) 16.907 8.573 ( -0.244 0.000 0.856) 0.890 8.988 ( 2.996 0.000 13.790) 14.112 9.383 ( 2.900 0.000 -1.290) 3.174 9.620 ( 1.464 0.000 4.066) 4.321 9.708 ( 4.161 0.000 -2.247) 4.729 10.574 ( -6.533 0.000 -4.538) 7.955 10.675 ( -9.886 0.000 4.559) 10.887 10.874 ( -1.044 0.000 0.429) 1.129 11.122 ( 0.369 0.000 -3.944) 3.961 11.406 ( 1.034 0.000 -1.196) 1.581 11.514 ( -3.174 0.000 -0.766) 3.265 12.473 ( -6.108 0.000 -2.674) 6.668 12.509 ( -5.640 0.000 1.320) 5.792 12.988 ( 5.088 0.000 4.874) 7.046 13.206 ( 6.171 0.000 -8.108) 10.189 13.449 ( 8.179 0.000 -3.876) 9.051 13.458 ( 2.414 0.000 -4.104) 4.761 17.262 ( 15.690 0.000 1.855) 15.799 17.302 ( 14.814 0.000 -1.951) 14.942 17.651 ( 5.417 0.000 25.187) 25.762 18.998 ( 2.976 0.000 -32.619) 32.755 19.647 ( -9.605 0.000 0.066) 9.606 19.667 ( -9.426 0.000 0.007) 9.426 19.782 ( -22.626 0.000 3.697) 22.926 19.969 ( -16.368 0.000 -1.195) 16.412 22.478 ( 8.084 0.000 11.329) 13.917 22.832 ( 0.779 0.000 -5.359) 5.415 23.050 ( 3.647 0.000 7.553) 8.388 23.224 ( 5.202 0.000 -1.932) 5.549 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 18.125 0.000 19.533) 26.646 2.803 ( 19.883 0.000 4.440) 20.373 2.898 ( 20.210 0.000 3.810) 20.566 3.079 ( 18.791 0.000 -20.118) 27.529 3.704 ( 2.136 0.000 1.695) 2.727 3.820 ( -6.480 0.000 -9.314) 11.346 4.134 ( -2.224 0.000 11.507) 11.720 4.362 ( -18.454 0.000 -4.758) 19.058 4.387 ( -3.603 0.000 5.763) 6.797 4.626 ( 1.262 0.000 2.531) 2.828 4.919 ( -8.377 0.000 -3.158) 8.952 5.149 ( 8.454 0.000 1.196) 8.539 5.179 ( -7.744 0.000 -12.339) 14.568 5.321 ( -1.222 0.000 6.774) 6.883 5.336 ( 6.445 0.000 -5.109) 8.224 5.575 ( -1.093 0.000 17.644) 17.678 5.774 ( -6.679 0.000 -2.673) 7.194 5.927 ( 1.375 0.000 -8.803) 8.909 6.060 ( 11.676 0.000 14.759) 18.819 6.133 ( -13.905 0.000 3.815) 14.418 6.263 ( 0.282 0.000 -4.968) 4.976 6.365 ( 14.031 0.000 -7.764) 16.036 6.779 ( -3.331 0.000 0.139) 3.334 6.871 ( 0.901 0.000 -9.192) 9.236 6.940 ( 6.326 0.000 11.492) 13.118 6.943 ( -7.114 0.000 -8.283) 10.918 7.581 ( -3.287 0.000 5.421) 6.339 7.681 ( 7.762 0.000 5.920) 9.762 7.949 ( 6.164 0.000 -16.927) 18.014 7.998 ( 11.294 0.000 7.178) 13.382 8.186 ( -19.230 0.000 1.545) 19.292 8.534 ( 0.128 0.000 -5.128) 5.129 9.194 ( 3.784 0.000 11.449) 12.058 9.378 ( 1.168 0.000 -4.557) 4.704 9.714 ( 2.509 0.000 5.540) 6.082 9.739 ( 5.026 0.000 -5.759) 7.644 10.389 ( -8.563 0.000 -4.930) 9.881 10.545 ( -12.204 0.000 5.382) 13.338 10.875 ( 0.667 0.000 -0.186) 0.692 11.085 ( -0.496 0.000 -2.004) 2.065 11.438 ( 4.768 0.000 -1.999) 5.170 11.463 ( -2.144 0.000 0.341) 2.171 12.333 ( -6.444 0.000 -2.917) 7.074 12.461 ( -3.232 0.000 2.943) 4.371 13.136 ( 4.485 0.000 6.064) 7.542 13.188 ( 3.332 0.000 -7.476) 8.185 13.472 ( 3.244 0.000 -2.212) 3.927 13.512 ( 3.885 0.000 -1.993) 4.367 17.570 ( 19.543 0.000 -1.999) 19.645 17.595 ( 20.970 0.000 2.059) 21.071 18.057 ( 6.385 0.000 25.952) 26.726 18.681 ( 4.759 0.000 -31.431) 31.789 19.430 ( -17.307 0.000 3.058) 17.576 19.477 ( -13.288 0.000 0.208) 13.289 19.488 ( -17.755 0.000 4.085) 18.219 19.653 ( -16.747 0.000 -4.987) 17.474 22.699 ( 3.952 0.000 8.185) 9.089 22.782 ( 0.648 0.000 -4.999) 5.041 23.200 ( 4.437 0.000 5.664) 7.195 23.274 ( 4.041 0.000 -2.684) 4.851 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 16.577 0.000 -6.004) 17.631 3.160 ( 13.249 0.000 -9.385) 16.236 3.203 ( 7.994 0.000 6.887) 10.551 3.396 ( 15.603 0.000 11.366) 19.304 3.643 ( -6.115 0.000 -2.826) 6.736 3.670 ( 0.154 0.000 -4.183) 4.186 4.043 ( -13.219 0.000 -0.754) 13.241 4.083 ( -5.744 0.000 1.242) 5.876 4.385 ( -2.548 0.000 3.152) 4.053 4.715 ( 5.911 0.000 -0.649) 5.946 4.880 ( -2.562 0.000 2.521) 3.594 4.892 ( -4.988 0.000 -11.705) 12.723 5.276 ( 0.439 0.000 -3.161) 3.192 5.311 ( 4.554 0.000 5.502) 7.142 5.521 ( 8.896 0.000 2.012) 9.120 5.575 ( -5.891 0.000 -12.464) 13.786 5.752 ( -1.141 0.000 13.978) 14.024 5.917 ( 7.251 0.000 -4.951) 8.780 5.968 ( -11.871 0.000 4.924) 12.852 6.241 ( 4.686 0.000 1.803) 5.021 6.440 ( 9.174 0.000 6.930) 11.498 6.483 ( 11.785 0.000 -9.880) 15.379 6.652 ( -6.337 0.000 -11.007) 12.701 6.690 ( -2.049 0.000 -4.428) 4.879 6.975 ( 9.913 0.000 6.989) 12.129 7.117 ( -2.602 0.000 10.293) 10.617 7.582 ( -2.927 0.000 2.257) 3.696 7.697 ( -6.778 0.000 2.017) 7.072 7.724 ( -13.296 0.000 -11.279) 17.436 7.913 ( -13.493 0.000 3.671) 13.983 8.370 ( 13.773 0.000 8.583) 16.229 8.514 ( 7.369 0.000 -8.493) 11.244 9.340 ( 1.571 0.000 -4.406) 4.677 9.383 ( 4.376 0.000 8.976) 9.986 9.739 ( 3.427 0.000 -6.218) 7.100 9.825 ( 2.266 0.000 6.237) 6.636 10.184 ( -8.721 0.000 -4.522) 9.824 10.406 ( -11.171 0.000 4.616) 12.087 10.883 ( 0.309 0.000 0.460) 0.554 11.062 ( -0.579 0.000 -0.219) 0.619 11.451 ( -0.097 0.000 -0.059) 0.113 11.506 ( 6.288 0.000 -2.987) 6.961 12.202 ( -5.255 0.000 -1.860) 5.575 12.456 ( -2.156 0.000 2.943) 3.648 13.161 ( 2.688 0.000 -5.032) 5.705 13.260 ( 1.784 0.000 5.192) 5.490 13.511 ( 2.237 0.000 1.327) 2.601 13.545 ( 1.624 0.000 0.628) 1.741 17.891 ( 20.670 0.000 -1.620) 20.733 17.992 ( 23.082 0.000 1.706) 23.145 18.428 ( 3.081 0.000 20.157) 20.391 18.443 ( 8.495 0.000 -26.673) 27.993 19.177 ( -17.527 0.000 0.490) 17.534 19.230 ( -16.295 0.000 -0.174) 16.296 19.282 ( -15.251 0.000 11.890) 19.338 19.327 ( -13.254 0.000 -4.001) 13.845 22.741 ( 1.315 0.000 -4.681) 4.862 22.799 ( 0.366 0.000 2.915) 2.938 23.298 ( 3.175 0.000 -3.506) 4.730 23.307 ( 2.199 0.000 2.252) 3.147 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -9.021 0.000 -1.814) 9.201 3.228 ( 14.049 0.000 -2.415) 14.255 3.311 ( 15.028 0.000 -8.537) 17.284 3.516 ( -7.599 0.000 2.816) 8.104 3.657 ( 6.950 0.000 4.067) 8.053 3.760 ( 7.275 0.000 4.920) 8.782 3.840 ( -12.751 0.000 -4.098) 13.393 4.039 ( -2.835 0.000 2.519) 3.792 4.389 ( -1.867 0.000 2.897) 3.447 4.767 ( 4.575 0.000 -2.656) 5.290 4.805 ( -3.874 0.000 -4.427) 5.883 4.855 ( 4.084 0.000 2.316) 4.695 5.273 ( 2.753 0.000 -2.498) 3.717 5.306 ( -3.721 0.000 -17.168) 17.567 5.415 ( 0.177 0.000 6.145) 6.148 5.651 ( 4.713 0.000 1.673) 5.001 5.838 ( -9.645 0.000 3.246) 10.176 5.851 ( -3.169 0.000 10.717) 11.175 6.059 ( 11.295 0.000 -1.607) 11.408 6.388 ( -1.774 0.000 -6.214) 6.462 6.448 ( 5.829 0.000 2.233) 6.242 6.474 ( 2.264 0.000 -10.362) 10.606 6.568 ( 0.450 0.000 3.609) 3.637 6.688 ( 11.476 0.000 -7.794) 13.872 7.107 ( -9.068 0.000 7.682) 11.884 7.197 ( -14.136 0.000 -9.913) 17.266 7.403 ( 5.320 0.000 2.971) 6.093 7.597 ( -8.418 0.000 2.158) 8.690 7.600 ( 3.697 0.000 8.114) 8.916 7.786 ( -5.614 0.000 2.085) 5.989 8.553 ( 7.565 0.000 -7.400) 10.583 8.560 ( -0.411 0.000 1.805) 1.851 9.360 ( 4.690 0.000 -0.513) 4.718 9.512 ( -1.628 0.000 4.573) 4.854 9.746 ( 5.506 0.000 -1.029) 5.601 9.888 ( -5.981 0.000 4.509) 7.491 10.059 ( 2.018 0.000 -0.972) 2.240 10.283 ( -7.979 0.000 1.719) 8.162 10.910 ( 0.502 0.000 3.213) 3.252 11.062 ( 0.039 0.000 1.033) 1.034 11.433 ( -0.401 0.000 -2.814) 2.843 11.554 ( 3.781 0.000 -4.334) 5.752 12.137 ( -0.824 0.000 0.427) 0.928 12.440 ( -2.687 0.000 0.691) 2.774 13.174 ( 3.778 0.000 -1.470) 4.054 13.295 ( -2.663 0.000 1.863) 3.251 13.577 ( 0.742 0.000 5.182) 5.235 13.599 ( 1.162 0.000 4.474) 4.622 18.177 ( 12.690 0.000 -1.096) 12.737 18.310 ( 13.620 0.000 -12.569) 18.533 18.421 ( 18.491 0.000 -6.578) 19.626 18.477 ( -11.823 0.000 -2.183) 12.023 18.875 ( -15.823 0.000 0.026) 15.823 18.986 ( -10.785 0.000 0.801) 10.815 19.246 ( 0.586 0.000 11.151) 11.166 19.265 ( -8.785 0.000 18.323) 20.320 22.720 ( 2.473 0.000 -4.203) 4.877 22.787 ( -2.038 0.000 -2.163) 2.972 23.300 ( 2.579 0.000 -4.139) 4.877 23.315 ( -1.128 0.000 -2.324) 2.583 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -11.960 0.000 -8.935) 14.929 3.280 ( -12.542 0.000 -5.877) 13.850 3.420 ( -10.875 0.000 3.955) 11.572 3.504 ( 14.002 0.000 -1.159) 14.050 3.657 ( 10.849 0.000 -3.397) 11.368 3.843 ( 7.599 0.000 6.864) 10.240 3.921 ( 1.195 0.000 8.026) 8.114 4.019 ( -4.234 0.000 3.430) 5.449 4.366 ( -3.346 0.000 -0.667) 3.412 4.678 ( -6.084 0.000 -8.587) 10.524 4.720 ( 2.056 0.000 -4.095) 4.582 4.944 ( 4.203 0.000 -11.022) 11.797 5.145 ( 0.376 0.000 -2.266) 2.297 5.277 ( -0.655 0.000 -1.838) 1.952 5.539 ( 3.016 0.000 13.956) 14.278 5.668 ( -6.969 0.000 -1.177) 7.067 5.763 ( 1.398 0.000 1.153) 1.812 5.921 ( -1.643 0.000 7.766) 7.938 6.122 ( -4.150 0.000 2.349) 4.769 6.272 ( -0.369 0.000 -1.133) 1.192 6.359 ( -20.715 0.000 -6.187) 21.619 6.405 ( 6.177 0.000 -14.287) 15.565 6.743 ( 11.181 0.000 3.579) 11.740 6.838 ( 8.137 0.000 -2.298) 8.455 6.888 ( -1.519 0.000 -0.807) 1.720 7.074 ( -0.308 0.000 4.220) 4.231 7.384 ( 0.398 0.000 -7.607) 7.617 7.483 ( 1.150 0.000 -6.437) 6.539 7.768 ( -4.301 0.000 7.808) 8.914 8.005 ( 16.442 0.000 16.191) 23.076 8.404 ( -13.615 0.000 -5.556) 14.705 8.574 ( 4.242 0.000 -6.387) 7.667 9.410 ( -11.680 0.000 0.217) 11.682 9.454 ( 3.523 0.000 2.487) 4.312 9.782 ( -7.575 0.000 0.988) 7.639 9.909 ( 7.834 0.000 5.055) 9.323 10.183 ( -3.170 0.000 -1.989) 3.742 10.189 ( 8.443 0.000 3.632) 9.191 10.967 ( -0.379 0.000 5.265) 5.278 11.089 ( 1.139 0.000 1.960) 2.267 11.378 ( -0.325 0.000 -4.612) 4.623 11.519 ( -0.827 0.000 -5.413) 5.475 12.191 ( 4.761 0.000 2.499) 5.377 12.385 ( -2.189 0.000 -2.248) 3.138 13.231 ( -5.616 0.000 -0.206) 5.620 13.259 ( 5.058 0.000 3.066) 5.915 13.640 ( -1.614 0.000 5.956) 6.171 13.676 ( 0.048 0.000 6.315) 6.315 18.061 ( -15.775 0.000 -12.399) 20.064 18.253 ( -12.683 0.000 1.819) 12.813 18.258 ( -11.722 0.000 -5.521) 12.957 18.547 ( 14.344 0.000 -8.708) 16.781 18.910 ( 16.314 0.000 1.655) 16.398 18.974 ( 10.087 0.000 -0.891) 10.127 19.395 ( -4.260 0.000 21.420) 21.840 19.481 ( 5.466 0.000 14.817) 15.793 22.687 ( -4.036 0.000 -5.869) 7.123 22.726 ( 3.690 0.000 -3.423) 5.033 23.223 ( -3.870 0.000 -5.726) 6.911 23.289 ( 2.059 0.000 -4.296) 4.764 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -20.782 0.000 -12.299) 24.149 2.788 ( -28.192 0.000 -10.564) 30.106 3.336 ( -8.178 0.000 7.812) 11.309 3.684 ( 1.887 0.000 -0.625) 1.987 3.876 ( -15.579 0.000 2.524) 15.782 3.906 ( 20.522 0.000 -10.975) 23.272 3.979 ( -5.336 0.000 1.317) 5.496 4.066 ( 6.328 0.000 11.629) 13.239 4.273 ( -2.630 0.000 1.284) 2.926 4.479 ( -4.687 0.000 -5.251) 7.038 4.787 ( 0.932 0.000 -17.489) 17.514 4.846 ( 13.953 0.000 2.775) 14.226 5.147 ( -1.338 0.000 2.087) 2.479 5.184 ( -4.689 0.000 -4.513) 6.508 5.506 ( -7.757 0.000 -2.421) 8.126 5.772 ( -0.966 0.000 13.908) 13.942 5.834 ( -8.065 0.000 -8.481) 11.703 5.889 ( -3.762 0.000 0.781) 3.842 5.964 ( -3.026 0.000 6.933) 7.564 6.091 ( -0.626 0.000 1.141) 1.301 6.329 ( 4.739 0.000 -9.971) 11.040 6.395 ( 8.057 0.000 6.434) 10.311 6.804 ( -6.869 0.000 -0.073) 6.869 6.852 ( 2.678 0.000 -4.300) 5.066 7.025 ( 9.361 0.000 2.910) 9.803 7.080 ( -6.145 0.000 0.103) 6.146 7.368 ( 5.775 0.000 -0.373) 5.787 7.588 ( 11.203 0.000 -6.047) 12.731 7.835 ( 5.009 0.000 5.837) 7.692 8.068 ( -13.718 0.000 -4.530) 14.447 8.415 ( 11.429 0.000 12.616) 17.023 8.539 ( 0.932 0.000 -6.829) 6.892 9.171 ( -15.623 0.000 -0.893) 15.649 9.500 ( -1.168 0.000 1.249) 1.710 9.680 ( -5.857 0.000 0.805) 5.912 9.969 ( -6.723 0.000 1.421) 6.871 10.232 ( 11.049 0.000 -0.029) 11.049 10.387 ( 9.462 0.000 3.698) 10.159 10.989 ( -4.310 0.000 4.486) 6.221 11.150 ( 2.732 0.000 2.983) 4.045 11.349 ( 3.511 0.000 -3.818) 5.187 11.418 ( -2.678 0.000 -6.023) 6.591 12.327 ( 6.588 0.000 3.290) 7.364 12.341 ( 1.207 0.000 -2.810) 3.059 13.118 ( -6.650 0.000 -0.939) 6.716 13.396 ( 4.624 0.000 5.446) 7.144 13.649 ( -4.605 0.000 4.129) 6.185 13.742 ( -1.236 0.000 6.635) 6.749 17.634 ( -15.777 0.000 -12.508) 20.133 17.897 ( -22.101 0.000 -2.171) 22.207 17.983 ( -20.688 0.000 2.370) 20.824 18.821 ( 26.107 0.000 -5.725) 26.727 19.208 ( 16.488 0.000 -0.808) 16.508 19.215 ( 16.673 0.000 0.791) 16.692 19.600 ( -1.199 0.000 20.072) 20.107 19.723 ( 5.112 0.000 10.391) 11.580 22.525 ( -5.924 0.000 -7.180) 9.308 22.762 ( 4.529 0.000 -2.303) 5.081 23.067 ( -5.704 0.000 -6.592) 8.717 23.270 ( 1.441 0.000 -3.746) 4.013 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -29.986 0.000 -10.908) 31.908 2.145 ( -34.828 0.000 -8.471) 35.843 3.140 ( -45.531 0.000 -12.058) 47.101 3.319 ( -6.152 0.000 8.256) 10.296 3.675 ( -16.118 0.000 1.185) 16.161 3.974 ( 12.331 0.000 -20.210) 23.674 4.009 ( 4.793 0.000 1.825) 5.129 4.312 ( 5.355 0.000 11.778) 12.938 4.332 ( -0.496 0.000 7.521) 7.537 4.399 ( -2.384 0.000 -4.174) 4.806 4.712 ( 10.442 0.000 -5.581) 11.840 5.054 ( -0.274 0.000 -3.345) 3.356 5.168 ( 0.758 0.000 3.233) 3.321 5.201 ( 19.416 0.000 -3.245) 19.685 5.355 ( -4.090 0.000 -3.204) 5.196 5.541 ( -9.159 0.000 0.217) 9.162 5.765 ( -5.543 0.000 -0.559) 5.571 5.959 ( -5.228 0.000 -1.217) 5.368 6.064 ( -0.086 0.000 -0.301) 0.313 6.079 ( 12.525 0.000 2.051) 12.692 6.458 ( 6.961 0.000 10.706) 12.770 6.628 ( 11.410 0.000 -1.629) 11.526 6.664 ( -7.919 0.000 -1.961) 8.158 6.814 ( -1.114 0.000 4.918) 5.043 6.941 ( -7.429 0.000 -2.177) 7.742 7.170 ( 7.980 0.000 -3.123) 8.569 7.381 ( -23.344 0.000 -4.058) 23.694 7.559 ( 9.237 0.000 7.569) 11.942 7.827 ( -0.699 0.000 -3.435) 3.506 8.261 ( 21.725 0.000 4.762) 22.241 8.440 ( -2.172 0.000 -8.139) 8.424 8.658 ( 2.702 0.000 5.993) 6.574 8.900 ( -14.389 0.000 0.496) 14.397 9.445 ( -5.212 0.000 -0.752) 5.266 9.605 ( -3.955 0.000 0.439) 3.979 9.826 ( -8.689 0.000 -1.461) 8.811 10.427 ( 10.078 0.000 0.931) 10.121 10.579 ( 8.344 0.000 3.260) 8.958 10.946 ( -5.126 0.000 3.078) 5.979 11.247 ( 2.561 0.000 4.462) 5.145 11.304 ( -0.442 0.000 -7.038) 7.051 11.396 ( 6.241 0.000 -2.986) 6.919 12.371 ( 5.581 0.000 -1.720) 5.840 12.469 ( 5.473 0.000 3.165) 6.323 12.997 ( -6.147 0.000 -1.064) 6.238 13.519 ( 1.064 0.000 5.764) 5.861 13.583 ( -5.858 0.000 0.757) 5.907 13.792 ( -1.564 0.000 6.066) 6.264 17.272 ( -12.335 0.000 -8.277) 14.855 17.517 ( -20.299 0.000 -1.237) 20.336 17.660 ( -20.098 0.000 1.706) 20.170 19.237 ( 28.125 0.000 -2.400) 28.227 19.462 ( 14.053 0.000 -0.440) 14.060 19.469 ( 12.861 0.000 0.222) 12.863 19.800 ( 0.833 0.000 13.494) 13.520 19.887 ( 3.983 0.000 4.609) 6.092 22.332 ( -7.980 0.000 -5.384) 9.626 22.821 ( 4.671 0.000 -0.970) 4.771 22.896 ( -6.101 0.000 -4.760) 7.738 23.252 ( 0.739 0.000 -2.251) 2.369 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -36.981 0.000 -0.244) 36.981 1.445 ( -40.354 0.000 -2.289) 40.419 2.131 ( -59.362 0.000 -4.792) 59.555 3.266 ( -10.161 0.000 4.013) 10.925 3.370 ( -16.767 0.000 -3.553) 17.139 3.965 ( 10.757 0.000 -11.040) 15.414 4.076 ( -2.224 0.000 3.287) 3.969 4.349 ( 5.479 0.000 -5.104) 7.488 4.379 ( 0.891 0.000 1.904) 2.102 4.528 ( 4.961 0.000 10.925) 11.999 4.873 ( 9.821 0.000 -3.274) 10.352 5.048 ( 2.589 0.000 -0.241) 2.601 5.178 ( 1.605 0.000 -11.416) 11.528 5.267 ( 4.708 0.000 6.372) 7.922 5.401 ( -5.221 0.000 4.549) 6.925 5.636 ( -3.756 0.000 -5.673) 6.804 5.648 ( 16.874 0.000 2.336) 17.035 5.862 ( -3.386 0.000 0.198) 3.392 6.060 ( 0.155 0.000 -2.723) 2.727 6.309 ( 12.173 0.000 0.977) 12.212 6.484 ( -8.156 0.000 -3.489) 8.871 6.625 ( 3.745 0.000 -9.522) 10.232 6.695 ( 0.282 0.000 14.157) 14.160 6.785 ( -10.975 0.000 -3.008) 11.380 6.925 ( -18.339 0.000 -4.495) 18.882 7.086 ( 9.139 0.000 17.866) 20.068 7.230 ( 5.214 0.000 -3.722) 6.406 7.755 ( 3.063 0.000 3.493) 4.645 7.780 ( -2.823 0.000 -0.422) 2.854 8.290 ( -1.981 0.000 -8.668) 8.892 8.580 ( -8.698 0.000 -2.412) 9.026 8.636 ( 17.116 0.000 1.560) 17.187 8.802 ( -6.358 0.000 6.011) 8.750 9.334 ( -6.254 0.000 -0.609) 6.283 9.559 ( -1.746 0.000 -0.004) 1.746 9.677 ( -6.762 0.000 -0.702) 6.798 10.568 ( 5.871 0.000 -0.181) 5.874 10.735 ( 5.814 0.000 2.719) 6.418 10.909 ( -3.085 0.000 2.305) 3.851 11.188 ( -1.229 0.000 -6.557) 6.671 11.391 ( 5.536 0.000 4.630) 7.217 11.471 ( 6.763 0.000 -3.143) 7.458 12.475 ( 8.303 0.000 -1.050) 8.369 12.575 ( 3.075 0.000 2.600) 4.027 12.895 ( -4.450 0.000 -1.045) 4.571 13.434 ( -10.045 0.000 0.475) 10.057 13.601 ( 1.284 0.000 1.347) 1.861 13.825 ( -0.344 0.000 0.497) 0.604 17.042 ( -8.068 0.000 -1.282) 8.170 17.207 ( -15.133 0.000 -0.473) 15.140 17.370 ( -15.678 0.000 0.692) 15.694 19.646 ( 11.216 0.000 0.047) 11.216 19.655 ( 9.420 0.000 -0.390) 9.428 19.661 ( 20.212 0.000 -2.044) 20.315 19.932 ( 3.804 0.000 3.258) 5.009 19.969 ( 2.577 0.000 0.796) 2.697 22.144 ( -9.597 0.000 -0.934) 9.642 22.770 ( -4.752 0.000 -0.559) 4.784 22.889 ( 3.897 0.000 0.045) 3.897 23.247 ( 0.289 0.000 0.028) 0.291 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -35.959 0.000 20.806) 41.545 0.819 ( -38.780 0.000 15.779) 41.867 1.251 ( -52.526 0.000 35.042) 63.142 3.091 ( -10.072 0.000 -2.517) 10.382 3.133 ( -6.185 0.000 2.001) 6.500 4.005 ( -3.488 0.000 -1.351) 3.741 4.096 ( 10.578 0.000 1.524) 10.687 4.435 ( 7.641 0.000 -2.072) 7.917 4.501 ( 6.379 0.000 8.811) 10.877 4.734 ( 3.418 0.000 11.432) 11.933 4.921 ( 4.699 0.000 -6.943) 8.384 5.076 ( 2.657 0.000 -3.706) 4.560 5.106 ( 1.022 0.000 -1.593) 1.893 5.386 ( -3.666 0.000 8.442) 9.204 5.428 ( -1.601 0.000 10.125) 10.251 5.588 ( 7.246 0.000 -3.186) 7.915 5.856 ( 1.933 0.000 0.935) 2.147 5.910 ( 10.505 0.000 -0.615) 10.523 5.960 ( -5.102 0.000 -9.180) 10.502 6.307 ( -7.464 0.000 -3.973) 8.456 6.454 ( -15.293 0.000 0.208) 15.294 6.548 ( 12.687 0.000 7.839) 14.913 6.597 ( 2.618 0.000 -6.738) 7.228 6.739 ( -3.378 0.000 1.038) 3.534 6.849 ( -2.777 0.000 6.497) 7.066 7.161 ( 3.948 0.000 -9.833) 10.596 7.468 ( 4.830 0.000 6.046) 7.738 7.683 ( -3.206 0.000 -3.117) 4.472 7.728 ( -1.890 0.000 -0.902) 2.094 8.262 ( -0.717 0.000 0.812) 1.083 8.466 ( -0.457 0.000 1.192) 1.277 8.769 ( -3.876 0.000 7.815) 8.724 8.850 ( 8.008 0.000 -0.954) 8.065 9.249 ( -3.839 0.000 1.450) 4.104 9.548 ( 0.100 0.000 0.296) 0.313 9.601 ( -3.154 0.000 1.841) 3.652 10.633 ( 3.678 0.000 1.041) 3.822 10.821 ( 1.473 0.000 0.457) 1.543 10.899 ( -1.171 0.000 2.567) 2.821 11.096 ( -0.388 0.000 -5.714) 5.727 11.541 ( 5.688 0.000 -3.040) 6.450 11.557 ( 6.939 0.000 5.624) 8.932 12.603 ( 7.743 0.000 -1.239) 7.841 12.637 ( 0.743 0.000 2.877) 2.972 12.822 ( -2.257 0.000 -2.159) 3.124 13.266 ( -8.548 0.000 -1.423) 8.666 13.606 ( -0.331 0.000 -1.705) 1.737 13.609 ( -17.348 0.000 -29.119) 33.895 16.980 ( -3.878 0.000 7.705) 8.626 17.010 ( -7.954 0.000 0.241) 7.958 17.166 ( -8.658 0.000 -0.214) 8.660 19.757 ( 4.246 0.000 0.165) 4.249 19.774 ( 5.376 0.000 0.811) 5.437 19.800 ( 4.585 0.000 -12.825) 13.619 20.094 ( 11.121 0.000 11.655) 16.109 20.106 ( 12.642 0.000 1.003) 12.682 22.010 ( -7.874 0.000 4.243) 8.944 22.734 ( -2.389 0.000 4.685) 5.259 22.940 ( 1.999 0.000 -0.374) 2.033 23.223 ( -4.403 0.000 -4.428) 6.244 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.042 33.217 22.497) 40.119 1.340 ( 0.621 34.693 26.297) 43.537 1.849 ( -0.381 33.961 50.462) 60.827 3.066 ( 1.181 12.826 -9.209) 15.833 3.116 ( -3.071 8.604 -7.490) 11.813 4.011 ( -3.076 2.840 -0.366) 4.202 4.173 ( 6.320 -7.601 -3.403) 10.454 4.305 ( 0.965 -13.109 10.635) 16.908 4.625 ( -0.019 -5.015 9.280) 10.548 4.872 ( -3.763 -8.915 1.408) 9.778 4.935 ( -2.419 1.597 2.157) 3.613 5.029 ( -2.698 2.097 2.639) 4.317 5.161 ( 5.502 -3.090 -3.255) 7.100 5.349 ( 0.700 -4.271 5.172) 6.744 5.516 ( 1.982 1.026 4.662) 5.169 5.586 ( 0.697 -15.237 -7.902) 17.178 5.801 ( 1.173 0.738 2.735) 3.066 5.874 ( -2.433 -2.557 -2.250) 4.186 6.059 ( 12.289 7.316 0.719) 14.320 6.223 ( -6.431 2.119 -2.748) 7.307 6.382 ( 8.725 3.449 -1.329) 9.475 6.474 ( -12.041 0.323 -2.718) 12.348 6.660 ( 3.764 2.022 0.744) 4.337 6.741 ( 0.255 0.160 -2.931) 2.947 6.831 ( -6.416 8.191 -1.402) 10.498 7.198 ( -6.196 -1.230 -3.035) 7.008 7.536 ( 8.251 9.324 2.474) 12.694 7.635 ( -1.240 -2.320 -2.901) 3.916 7.971 ( 4.199 5.818 -5.529) 9.058 8.187 ( -5.184 8.099 -9.047) 13.203 8.410 ( 0.257 -10.410 10.068) 14.485 8.580 ( -1.253 0.741 8.757) 8.877 8.981 ( -0.362 -2.787 -4.336) 5.167 9.250 ( -0.240 0.157 2.859) 2.873 9.632 ( 0.087 2.038 2.817) 3.478 10.008 ( -4.109 24.822 -22.702) 33.888 10.636 ( 4.653 -10.426 -2.604) 11.710 10.731 ( 1.466 -3.911 -1.196) 4.345 10.879 ( -2.229 -1.475 0.902) 2.821 11.273 ( 5.273 9.643 -3.826) 11.637 11.498 ( -4.398 -2.965 -2.007) 5.671 11.696 ( -3.328 7.157 -3.937) 8.821 12.484 ( 2.749 -24.372 25.033) 35.046 12.598 ( 0.206 -8.311 0.173) 8.315 12.656 ( -0.003 -5.127 7.207) 8.844 12.772 ( 1.114 -3.041 -1.435) 3.542 13.159 ( -0.398 0.363 -3.173) 3.219 13.710 ( -0.065 1.840 -12.229) 12.367 17.088 ( -0.620 13.130 1.164) 13.196 17.119 ( 0.431 4.740 14.409) 15.175 17.236 ( -0.449 14.572 -0.885) 14.606 19.593 ( 3.676 -8.807 -14.474) 17.338 19.676 ( -1.503 -6.782 -8.734) 11.160 19.814 ( -0.821 -0.563 -8.309) 8.369 20.170 ( -1.115 -5.996 1.184) 6.213 20.348 ( 0.305 -5.764 -1.139) 5.884 22.114 ( 0.118 8.725 8.483) 12.170 22.826 ( -0.092 3.312 8.015) 8.672 22.909 ( -0.117 -1.553 -1.180) 1.954 23.158 ( -0.306 5.187 1.317) 5.360 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 7.094 16.577 28.397) 33.638 1.883 ( 18.057 25.297 25.823) 40.408 2.700 ( 23.479 23.080 46.835) 57.249 2.946 ( 3.664 11.733 -14.353) 18.897 3.075 ( 10.607 8.857 -13.984) 19.659 3.947 ( -2.261 2.927 -0.935) 3.815 4.175 ( 1.201 -4.577 -6.532) 8.066 4.407 ( -3.347 -11.155 8.997) 14.717 4.707 ( -3.417 -7.658 8.637) 12.038 4.778 ( -14.715 1.926 5.901) 15.970 4.895 ( -4.215 -3.385 5.690) 7.849 4.976 ( 0.814 -5.324 -4.656) 7.119 5.213 ( 2.526 -2.425 1.999) 4.032 5.350 ( -7.093 1.837 -0.982) 7.393 5.425 ( 1.210 -12.808 -3.066) 13.226 5.666 ( -1.295 -3.108 4.750) 5.823 5.830 ( -4.721 0.240 -2.278) 5.247 5.939 ( 2.798 4.820 8.794) 10.412 6.081 ( 2.147 -2.634 -10.807) 11.329 6.229 ( -7.869 0.663 -4.704) 9.192 6.293 ( 11.002 1.612 0.585) 11.134 6.411 ( -0.446 4.100 -6.718) 7.883 6.699 ( 5.606 6.607 1.381) 8.774 6.705 ( -4.010 8.794 -3.013) 10.124 6.907 ( 10.943 -5.854 7.296) 14.396 7.051 ( -5.938 1.626 -0.979) 6.234 7.522 ( -4.702 0.577 -7.818) 9.141 7.648 ( 0.954 7.126 3.194) 7.867 7.902 ( -5.396 9.574 0.068) 10.990 8.112 ( 10.958 3.873 -17.048) 20.633 8.495 ( 1.304 -3.203 4.759) 5.883 8.662 ( -3.663 -3.599 4.280) 6.685 8.884 ( -5.174 1.117 4.348) 6.850 9.303 ( 2.493 -1.188 1.873) 3.337 9.680 ( 2.322 2.045 1.408) 3.399 9.765 ( -1.915 16.290 -7.769) 18.149 10.591 ( -3.928 -9.068 -1.491) 9.994 10.709 ( -2.731 -4.189 0.036) 5.001 10.874 ( -3.101 -2.282 3.292) 5.065 11.251 ( -0.309 6.789 -6.406) 9.339 11.431 ( -0.525 -0.424 0.122) 0.685 11.615 ( -2.941 4.531 -2.061) 5.782 12.541 ( -4.440 -5.401 -0.091) 6.992 12.570 ( -4.878 -3.204 -0.864) 5.900 12.823 ( 4.694 -4.632 2.837) 7.179 13.000 ( 15.539 -17.261 7.231) 24.325 13.179 ( 7.694 -0.587 -5.043) 9.218 13.575 ( 1.083 0.830 -11.493) 11.574 17.143 ( 4.076 9.274 4.678) 11.159 17.281 ( 7.675 14.461 -1.720) 16.462 17.380 ( 6.819 8.110 17.668) 20.602 19.334 ( 1.932 0.010 -29.984) 30.046 19.578 ( -9.350 -17.033 0.986) 19.455 19.691 ( -4.809 -5.029 -5.318) 8.758 20.102 ( -8.290 -1.537 1.629) 8.588 20.268 ( -7.638 0.662 -0.046) 7.666 22.276 ( 4.885 6.502 10.851) 13.560 22.865 ( -1.261 -1.240 -3.148) 3.611 22.936 ( 0.961 2.731 8.798) 9.262 23.178 ( 1.548 2.694 0.654) 3.175 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 21.523 1.964 26.113) 33.896 2.470 ( 16.764 16.338 23.062) 32.860 2.873 ( 10.363 8.529 -17.291) 21.889 3.105 ( 14.162 8.033 -16.288) 23.030 3.548 ( 19.319 16.527 25.705) 36.154 3.966 ( 3.806 3.544 7.219) 8.897 4.053 ( -4.272 -0.086 -9.441) 10.362 4.402 ( -7.425 -4.374 5.987) 10.493 4.573 ( -7.582 1.301 1.469) 7.832 4.746 ( -14.606 -5.607 1.222) 15.693 4.876 ( 2.339 -7.555 8.611) 11.692 4.999 ( 5.048 -8.588 -0.172) 9.963 5.162 ( -1.183 -8.668 -13.980) 16.491 5.277 ( -6.468 -3.795 0.567) 7.520 5.474 ( -3.922 -3.010 -4.934) 6.985 5.484 ( -7.854 3.274 12.622) 15.222 5.773 ( -3.597 1.933 6.350) 7.550 5.884 ( -6.862 -6.280 -7.189) 11.756 6.072 ( -2.988 5.349 2.931) 6.792 6.211 ( 9.949 -0.175 -5.199) 11.227 6.278 ( 4.281 1.348 -8.332) 9.464 6.519 ( -0.920 10.366 1.589) 10.527 6.657 ( 3.129 5.615 7.023) 9.521 6.763 ( 1.750 -3.864 -1.064) 4.374 6.990 ( -1.453 3.204 -1.120) 3.692 7.205 ( 8.189 -6.097 1.212) 10.281 7.356 ( 0.944 7.252 -2.008) 7.584 7.660 ( -3.367 6.835 3.919) 8.568 7.910 ( 4.460 8.968 3.140) 10.497 8.080 ( 9.723 4.815 -17.351) 20.464 8.460 ( -15.677 -4.890 -3.548) 16.801 8.558 ( 0.933 -1.333 0.557) 1.719 8.999 ( 1.131 0.447 13.969) 14.022 9.345 ( 2.013 -3.174 -2.366) 4.441 9.713 ( 1.680 8.595 -0.647) 8.782 9.746 ( 4.965 3.657 -2.243) 6.561 10.501 ( -5.620 -6.114 -0.446) 8.317 10.632 ( -7.347 -3.628 1.174) 8.277 10.853 ( -1.910 -1.745 1.288) 2.890 11.169 ( -0.775 3.661 -4.847) 6.124 11.453 ( 2.415 3.729 -0.082) 4.443 11.538 ( -3.245 2.848 -1.604) 4.606 12.452 ( -5.785 -2.121 -2.860) 6.793 12.466 ( -4.900 -4.226 1.571) 6.659 12.960 ( 5.719 -2.673 5.091) 8.110 13.180 ( 6.128 -3.618 -5.453) 8.965 13.303 ( 9.778 -7.180 -0.693) 12.150 13.493 ( 3.476 -1.280 -8.431) 9.209 17.333 ( 10.636 6.469 6.529) 14.057 17.444 ( 14.466 13.697 -2.460) 20.073 17.745 ( 9.629 9.649 20.198) 24.367 19.003 ( 2.655 0.302 -32.024) 32.135 19.381 ( -15.600 -17.341 2.651) 23.475 19.516 ( -9.208 -9.128 -4.814) 13.831 19.951 ( -12.004 6.722 2.188) 13.931 20.105 ( -11.252 8.109 -0.795) 13.892 22.497 ( 5.322 1.678 10.543) 11.928 22.804 ( -0.943 -2.559 -3.822) 4.695 23.061 ( 2.302 1.072 7.575) 7.990 23.216 ( 2.305 -0.560 -0.167) 2.378 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 24.011 -1.842 20.529) 31.644 2.891 ( 15.567 5.272 -11.924) 20.305 2.973 ( 12.319 6.691 15.968) 21.248 3.154 ( 13.571 6.852 -14.937) 21.313 3.796 ( 2.923 6.508 -1.950) 7.396 3.853 ( -6.026 3.095 -7.041) 9.771 4.226 ( -0.848 8.362 7.987) 11.594 4.333 ( -9.461 -1.227 1.497) 9.657 4.422 ( -7.986 1.525 2.526) 8.514 4.636 ( -0.358 0.264 4.657) 4.678 4.803 ( -7.234 -11.117 -8.591) 15.803 5.020 ( -3.640 -7.422 -7.979) 11.490 5.106 ( 2.264 -8.491 7.100) 11.297 5.182 ( 5.943 -3.576 1.849) 7.178 5.476 ( 5.136 3.369 -3.600) 7.120 5.535 ( -7.992 -7.640 0.799) 11.085 5.658 ( -2.235 -0.263 3.416) 4.090 5.841 ( -1.617 -4.438 4.138) 6.279 6.154 ( 1.814 1.749 5.776) 6.302 6.199 ( 1.297 1.595 -2.237) 3.039 6.350 ( 9.153 -0.010 -4.701) 10.289 6.423 ( -3.185 14.959 -1.925) 15.415 6.698 ( -1.579 -3.480 -2.024) 4.324 6.888 ( -0.843 -0.137 -1.298) 1.554 6.939 ( 1.324 0.355 4.777) 4.970 7.113 ( -2.736 11.982 -2.892) 12.627 7.554 ( 4.511 -3.214 4.765) 7.307 7.673 ( 0.605 2.359 3.715) 4.442 8.009 ( 2.291 3.600 -14.102) 14.733 8.083 ( -0.937 4.000 5.339) 6.736 8.178 ( -4.952 2.828 3.139) 6.510 8.545 ( 1.504 1.039 -4.794) 5.131 9.170 ( 1.480 -2.387 9.075) 9.500 9.315 ( 0.309 -4.881 -3.631) 6.091 9.772 ( 3.699 5.893 2.320) 7.334 9.802 ( 5.596 4.941 -3.468) 8.231 10.373 ( -7.051 -1.584 -3.880) 8.203 10.514 ( -10.620 -2.746 5.207) 12.142 10.854 ( 1.309 -1.246 -0.309) 1.833 11.108 ( -1.315 1.553 -2.738) 3.412 11.488 ( 1.402 3.813 -1.923) 4.495 11.503 ( 1.682 4.570 0.616) 4.908 12.316 ( -5.977 -1.680 -3.067) 6.925 12.431 ( -2.715 -2.926 3.171) 5.098 13.120 ( 4.867 -1.451 6.343) 8.125 13.175 ( 3.370 -1.321 -6.890) 7.783 13.422 ( 5.267 -4.145 -0.478) 6.719 13.487 ( 4.173 -2.600 -4.268) 6.511 17.641 ( 15.811 4.530 7.497) 18.075 17.692 ( 18.500 11.242 -3.128) 21.873 18.152 ( 10.018 9.453 19.468) 23.848 18.692 ( 4.231 0.939 -29.372) 29.690 19.162 ( -15.103 -13.548 5.151) 20.933 19.277 ( -12.238 -10.997 -4.127) 16.963 19.757 ( -14.677 12.631 2.839) 19.571 19.871 ( -14.508 13.068 -2.437) 19.677 22.669 ( 2.527 -2.825 6.573) 7.587 22.749 ( -0.252 -3.116 -3.409) 4.626 23.182 ( 2.865 -1.602 5.141) 6.100 23.246 ( 2.273 -2.521 -1.371) 3.661 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.11 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 17.663 -0.551 -12.895) 21.876 3.206 ( 11.356 5.476 -8.915) 15.441 3.230 ( 2.567 2.947 10.526) 11.228 3.335 ( 14.900 -3.493 11.952) 19.419 3.718 ( -5.534 4.773 1.719) 7.507 3.782 ( 1.550 8.134 -3.841) 9.128 4.085 ( -10.256 3.954 -3.128) 11.428 4.157 ( -5.703 4.865 0.313) 7.503 4.425 ( -0.667 3.296 2.584) 4.241 4.645 ( -3.235 -11.196 -7.019) 13.605 4.716 ( 4.130 0.122 1.101) 4.276 4.941 ( 0.254 -3.281 -0.957) 3.427 5.197 ( -0.909 -7.332 5.025) 8.935 5.283 ( -2.209 -4.921 3.198) 6.271 5.371 ( -0.516 -12.059 -6.316) 13.623 5.511 ( 5.338 1.799 -5.896) 8.155 5.770 ( 1.746 1.485 8.506) 8.809 5.849 ( 2.713 -5.539 -0.270) 6.174 6.092 ( -6.373 3.482 -1.540) 7.423 6.196 ( -1.425 -3.695 -2.629) 4.753 6.422 ( 3.905 -1.184 2.002) 4.545 6.570 ( 10.300 3.607 -0.751) 10.939 6.661 ( 3.540 2.665 -3.792) 5.832 6.729 ( -6.182 5.959 -5.349) 10.116 7.005 ( -3.910 -6.470 4.766) 8.937 7.161 ( 5.579 13.928 8.008) 17.007 7.576 ( -2.097 -0.684 -1.514) 2.676 7.708 ( -1.372 0.407 -0.744) 1.613 7.795 ( -10.815 5.299 -7.307) 14.087 7.917 ( -13.187 1.911 6.978) 15.042 8.445 ( 12.183 6.413 7.649) 15.750 8.533 ( 6.018 2.013 -7.378) 9.732 9.184 ( 1.901 -9.155 -6.883) 11.610 9.372 ( 0.498 -4.230 8.428) 9.443 9.853 ( 4.919 8.572 -2.618) 10.224 9.874 ( 3.850 4.435 3.817) 7.004 10.191 ( -7.706 0.780 -4.597) 9.007 10.400 ( -10.625 -0.642 5.319) 11.899 10.879 ( 1.490 -0.035 0.299) 1.520 11.073 ( -0.351 0.723 -0.323) 0.867 11.495 ( 0.365 4.069 -0.185) 4.089 11.551 ( 5.135 4.391 -2.835) 7.327 12.192 ( -4.812 -0.974 -1.883) 5.258 12.435 ( -1.798 -2.003 3.127) 4.126 13.154 ( 2.865 -0.663 -5.029) 5.826 13.252 ( 1.902 -0.743 5.234) 5.618 13.486 ( 3.164 -2.293 0.583) 3.951 13.525 ( 2.314 -1.940 1.425) 3.339 17.943 ( 17.735 4.409 -6.530) 19.406 18.033 ( 18.374 3.343 8.288) 20.432 18.436 ( 2.373 2.165 -0.317) 3.228 18.517 ( 7.959 5.626 -11.564) 15.124 18.998 ( -9.702 -6.671 5.360) 12.937 19.096 ( -7.890 -5.413 6.042) 11.316 19.535 ( -16.281 15.351 3.382) 22.630 19.570 ( -16.756 14.997 -2.586) 22.635 22.695 ( 0.902 -4.381 -3.897) 5.933 22.754 ( -0.270 -4.347 2.030) 4.806 23.249 ( 2.150 -4.442 -2.048) 5.343 23.269 ( 1.337 -3.709 0.607) 3.989 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.11 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 14.351 -6.659 -8.883) 18.144 3.178 ( -9.014 1.786 -1.756) 9.356 3.311 ( 10.880 3.955 -4.969) 12.597 3.613 ( 2.495 1.368 4.677) 5.475 3.677 ( -5.642 4.905 6.490) 9.900 3.788 ( -0.896 3.258 -3.366) 4.770 3.914 ( -1.049 5.524 -2.306) 6.077 4.149 ( -1.359 8.168 4.494) 9.421 4.464 ( -0.530 6.902 3.911) 7.951 4.612 ( 4.115 -8.843 2.535) 10.077 4.781 ( 2.135 -1.555 -1.865) 3.233 4.915 ( 1.351 0.048 -3.066) 3.351 5.119 ( -5.786 -11.410 -8.891) 15.580 5.256 ( 1.571 -4.311 -1.508) 4.830 5.363 ( 0.686 -2.916 1.402) 3.307 5.545 ( 1.127 -8.909 2.030) 9.207 5.863 ( -3.191 -1.634 2.520) 4.382 5.914 ( -3.507 4.647 6.313) 8.587 5.980 ( 5.893 -6.903 -1.577) 9.212 6.218 ( 6.332 -12.281 -3.974) 14.378 6.439 ( -6.979 -2.863 -0.501) 7.560 6.576 ( 2.398 7.672 -0.419) 8.049 6.642 ( 2.111 6.257 -3.442) 7.446 6.747 ( 9.189 5.037 -7.029) 12.619 6.932 ( -7.717 -9.720 2.229) 12.610 7.321 ( -10.117 9.394 -11.145) 17.743 7.509 ( 6.893 4.054 9.373) 12.321 7.545 ( -5.901 1.523 -4.716) 7.705 7.718 ( 2.725 5.174 1.404) 6.014 7.838 ( -7.911 7.278 10.663) 15.141 8.552 ( 4.093 1.026 -5.026) 6.562 8.636 ( 2.039 5.787 1.712) 6.370 9.188 ( 6.587 -11.520 -2.792) 13.561 9.416 ( -4.680 -8.089 2.565) 9.691 9.915 ( 4.044 11.082 0.747) 11.820 9.970 ( -1.122 5.803 4.782) 7.602 10.069 ( 0.972 1.813 -0.917) 2.252 10.282 ( -8.427 0.027 2.062) 8.676 10.920 ( 1.185 1.114 3.346) 3.720 11.084 ( 0.281 1.752 1.501) 2.324 11.476 ( -0.513 4.127 -2.737) 4.979 11.588 ( 3.521 3.380 -4.445) 6.601 12.133 ( -0.602 -0.319 0.542) 0.871 12.425 ( -2.609 -1.398 0.929) 3.103 13.161 ( 3.409 -1.084 -2.167) 4.182 13.287 ( -2.350 -0.772 1.531) 2.909 13.560 ( 1.454 -1.380 5.125) 5.503 13.596 ( 1.097 -0.390 5.464) 5.587 18.090 ( 14.424 -6.135 -12.463) 20.025 18.282 ( -13.677 -9.177 -8.952) 18.746 18.425 ( 15.237 5.172 6.417) 17.323 18.541 ( 8.027 9.361 -2.409) 12.564 19.022 ( -0.674 6.466 6.330) 9.073 19.098 ( -9.795 13.371 2.383) 16.745 19.312 ( -3.429 7.816 7.523) 11.377 19.381 ( -11.177 10.541 9.902) 18.278 22.671 ( 2.070 -4.680 -4.117) 6.568 22.732 ( -1.930 -5.363 -2.446) 6.203 23.243 ( 1.981 -5.391 -4.159) 7.091 23.261 ( -1.046 -5.124 -2.865) 5.963 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -10.257 3.427 -8.408) 13.698 3.213 ( -16.327 -5.345 -9.905) 19.831 3.305 ( 5.050 -7.131 -1.747) 8.911 3.597 ( 2.991 2.411 0.487) 3.872 3.649 ( 6.412 4.284 2.788) 8.200 3.881 ( 4.253 3.026 6.829) 8.595 4.003 ( 3.599 4.919 5.278) 8.062 4.168 ( -1.491 11.526 2.198) 11.829 4.458 ( -4.283 8.822 0.966) 9.854 4.652 ( -0.198 -1.808 -4.572) 4.921 4.714 ( -2.965 -0.844 -3.331) 4.539 4.903 ( -0.727 -8.033 -14.636) 16.711 5.017 ( 4.186 -2.673 4.385) 6.626 5.277 ( 4.354 -2.816 -2.329) 5.684 5.460 ( -1.195 -8.745 11.213) 14.270 5.519 ( -3.887 -9.410 1.381) 10.275 5.756 ( -3.992 -2.036 0.171) 4.485 5.979 ( -5.685 -1.883 6.997) 9.210 6.117 ( 8.339 2.470 1.836) 8.889 6.231 ( -1.039 -7.086 -4.706) 8.570 6.305 ( -3.910 0.080 -0.973) 4.030 6.507 ( -7.997 5.723 -11.619) 15.222 6.676 ( 9.355 -1.825 -0.773) 9.562 6.809 ( -3.552 -4.383 1.858) 5.940 6.896 ( 6.250 0.754 -1.549) 6.483 7.108 ( 0.643 6.435 -3.039) 7.146 7.414 ( 3.222 -0.323 -7.855) 8.496 7.510 ( -0.989 2.654 -8.974) 9.410 7.823 ( -4.777 5.904 11.166) 13.504 8.072 ( 13.356 6.419 14.685) 20.862 8.467 ( -10.644 5.460 -3.919) 12.588 8.617 ( 2.290 3.818 -5.556) 7.120 9.258 ( -6.882 -11.063 -0.671) 13.046 9.340 ( 3.530 -8.567 1.138) 9.335 9.929 ( -6.027 10.493 3.176) 12.511 9.995 ( 1.620 5.297 3.319) 6.457 10.176 ( -3.539 -0.658 -2.093) 4.164 10.217 ( 9.521 3.106 4.513) 10.985 10.989 ( -0.295 2.230 5.765) 6.188 11.107 ( 0.088 1.646 2.170) 2.725 11.427 ( 0.229 4.686 -4.254) 6.333 11.553 ( -0.435 3.321 -5.506) 6.445 12.190 ( 4.584 -0.132 2.616) 5.280 12.371 ( -2.556 -1.317 -1.994) 3.499 13.201 ( -2.092 -2.533 0.289) 3.299 13.252 ( 1.073 -0.999 1.440) 2.055 13.634 ( -1.490 -0.461 6.685) 6.865 13.675 ( -0.428 -0.004 6.561) 6.575 17.887 ( -16.533 -10.508 -11.921) 22.932 18.188 ( 10.303 -5.722 -7.863) 14.168 18.483 ( -9.061 10.678 1.020) 14.041 18.619 ( -10.431 13.572 -0.855) 17.138 18.992 ( 9.847 7.322 4.406) 13.038 19.158 ( 14.241 14.402 -1.743) 20.329 19.418 ( -5.010 2.580 19.384) 20.187 19.541 ( 7.850 6.310 11.083) 14.976 22.637 ( -3.249 -4.932 -5.880) 8.334 22.670 ( 3.315 -5.491 -3.858) 7.485 23.171 ( -3.154 -4.916 -5.952) 8.340 23.221 ( 1.663 -6.264 -4.766) 8.045 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -22.236 5.114 -12.108) 25.830 2.664 ( -25.483 -7.791 -12.722) 29.528 3.354 ( -3.503 1.577 5.807) 6.963 3.683 ( 4.735 -2.459 1.633) 5.580 3.887 ( 13.533 1.712 -1.072) 13.683 3.974 ( -0.053 0.183 -0.188) 0.267 4.067 ( -6.635 10.258 3.684) 12.760 4.166 ( -0.972 7.360 2.186) 7.739 4.295 ( -9.518 5.106 -0.874) 10.837 4.506 ( -4.710 2.626 -3.842) 6.622 4.740 ( -0.196 -3.585 -12.642) 13.142 4.847 ( 14.844 0.331 4.505) 15.516 5.045 ( 0.406 -0.895 -3.544) 3.678 5.267 ( -6.460 -2.300 -0.682) 6.891 5.373 ( -0.998 -10.257 -1.982) 10.494 5.676 ( -7.268 -8.779 8.382) 14.148 5.741 ( 0.572 -1.721 3.584) 4.017 5.851 ( -6.659 -0.838 3.446) 7.544 6.092 ( -5.298 4.366 -2.849) 7.434 6.248 ( 0.505 8.207 -1.451) 8.349 6.345 ( 9.730 2.525 0.286) 10.057 6.373 ( 5.410 0.292 0.442) 5.436 6.729 ( 1.089 -9.697 -7.565) 12.347 6.766 ( -4.984 -3.320 1.083) 6.086 6.950 ( 3.634 -4.504 0.290) 5.795 7.157 ( 2.235 3.988 -0.148) 4.574 7.389 ( 2.358 0.405 -5.842) 6.313 7.574 ( 15.042 -0.014 -1.889) 15.161 7.905 ( 1.923 6.667 8.936) 11.314 8.163 ( -14.680 8.571 -6.671) 18.261 8.420 ( 9.264 0.458 10.437) 13.963 8.582 ( 0.162 3.793 -4.610) 5.971 9.051 ( -12.426 -7.382 -2.562) 14.679 9.430 ( 1.775 -6.400 1.566) 6.824 9.863 ( -6.158 12.614 3.458) 14.456 9.999 ( -5.463 3.044 1.089) 6.348 10.161 ( 6.083 -4.608 -1.920) 7.869 10.440 ( 9.495 3.180 4.791) 11.101 11.002 ( -5.673 1.847 4.697) 7.593 11.158 ( 2.849 0.666 2.416) 3.794 11.403 ( 2.442 5.165 -3.964) 6.954 11.469 ( -1.129 4.653 -4.897) 6.849 12.320 ( 4.735 -0.986 2.041) 5.249 12.322 ( 2.016 -1.423 -1.201) 2.744 13.101 ( -6.574 -1.617 -1.037) 6.849 13.346 ( 2.848 -4.642 4.219) 6.889 13.651 ( -5.166 0.265 5.241) 7.364 13.734 ( -1.488 -0.692 6.466) 6.671 17.488 ( -14.434 -8.117 -10.652) 19.690 18.093 ( -15.974 12.157 -0.117) 20.074 18.182 ( -22.711 18.577 -1.382) 29.373 18.627 ( 18.167 -12.184 -4.929) 22.423 19.308 ( 15.148 7.602 7.135) 18.389 19.417 ( 17.182 14.355 -1.172) 22.420 19.604 ( -1.257 0.492 19.520) 19.567 19.773 ( 7.281 5.710 6.147) 11.109 22.492 ( -4.666 -3.227 -7.109) 9.096 22.694 ( 4.386 -6.934 -3.206) 8.809 23.029 ( -4.496 -3.534 -6.679) 8.793 23.189 ( 1.014 -7.071 -4.544) 8.466 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -35.386 -6.145 -8.342) 36.871 2.102 ( -26.108 7.710 -13.829) 30.534 3.348 ( -7.583 7.009 5.232) 11.576 3.532 ( -34.205 27.192 -6.712) 44.209 3.719 ( -11.224 0.769 5.114) 12.358 3.906 ( 4.665 -1.912 -11.526) 12.580 4.066 ( 7.786 2.142 -8.322) 11.596 4.198 ( -1.893 -5.752 4.432) 7.504 4.360 ( 3.033 -0.497 9.034) 9.543 4.445 ( -0.323 1.913 -1.644) 2.543 4.657 ( 5.225 -1.703 -3.484) 6.507 5.012 ( 4.359 -0.704 -4.453) 6.271 5.164 ( -3.436 -6.182 -0.863) 7.125 5.230 ( 18.978 1.928 3.221) 19.346 5.324 ( 0.115 -1.261 -1.631) 2.065 5.579 ( -8.220 3.138 4.229) 9.762 5.711 ( -2.342 -10.287 3.156) 11.012 5.820 ( -2.603 2.196 -6.839) 7.640 6.087 ( -1.950 2.177 -1.915) 3.494 6.215 ( 5.006 3.614 2.392) 6.621 6.547 ( 2.324 -6.335 -9.073) 11.307 6.571 ( 10.599 8.746 5.531) 14.813 6.643 ( 4.647 -6.356 10.091) 12.799 6.706 ( -3.766 -2.084 2.784) 5.126 6.964 ( -3.530 -2.857 -1.538) 4.795 7.127 ( 2.408 -1.945 -5.968) 6.723 7.472 ( -1.453 2.186 3.104) 4.065 7.618 ( -4.407 8.896 1.437) 10.031 7.860 ( -3.350 4.529 -5.085) 7.589 8.240 ( 18.305 -0.978 4.741) 18.935 8.493 ( -1.735 3.002 -5.901) 6.844 8.624 ( 1.532 -3.168 6.669) 7.541 8.809 ( -11.615 -2.187 -3.103) 12.220 9.419 ( -3.660 -2.582 -0.080) 4.480 9.802 ( -5.340 7.470 1.271) 9.270 9.900 ( -4.818 12.189 0.128) 13.107 10.283 ( 8.659 -10.170 -0.158) 13.358 10.623 ( 5.836 1.405 3.901) 7.160 10.943 ( -5.914 0.495 3.225) 6.755 11.241 ( 3.989 -0.447 1.143) 4.174 11.366 ( 1.250 5.585 -5.646) 8.040 11.463 ( 3.558 5.951 -0.882) 6.989 12.345 ( 4.834 -2.448 -1.336) 5.580 12.455 ( 4.968 -1.453 3.099) 6.033 12.979 ( -6.309 -1.779 -1.046) 6.638 13.395 ( -3.287 -10.718 2.922) 11.585 13.581 ( -8.611 0.550 2.739) 9.053 13.788 ( -0.315 -1.076 5.588) 5.699 17.176 ( -10.258 -4.569 -6.685) 13.068 17.756 ( -20.138 18.400 -2.628) 27.404 17.815 ( -20.721 14.948 1.682) 25.605 18.949 ( 23.132 -19.038 -2.519) 30.065 19.631 ( 12.818 11.729 7.908) 19.089 19.676 ( 14.112 11.743 -0.066) 18.359 19.802 ( 1.265 0.214 13.063) 13.126 19.922 ( 6.050 4.781 0.010) 7.711 22.324 ( -6.215 -0.723 -5.359) 8.238 22.740 ( 4.853 -8.578 -2.153) 10.088 22.882 ( -4.541 -1.340 -4.756) 6.711 23.151 ( 0.057 -7.643 -3.294) 8.323 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -35.315 0.099 -1.685) 35.355 1.499 ( -31.088 16.708 -2.376) 35.373 2.704 ( -48.135 41.623 -2.436) 63.682 3.286 ( -9.323 6.086 0.217) 11.136 3.560 ( -13.458 11.552 2.457) 17.905 3.910 ( 8.707 -4.602 -6.923) 12.038 4.076 ( 4.697 -2.268 -3.868) 6.494 4.149 ( -5.443 -6.496 -0.870) 8.519 4.407 ( 4.839 -2.670 -1.937) 5.856 4.595 ( 4.597 -0.014 11.271) 12.173 4.768 ( 8.305 -3.000 -0.095) 8.831 5.043 ( -0.917 -4.933 -2.886) 5.788 5.130 ( 6.893 -2.626 -6.361) 9.740 5.303 ( 0.234 0.301 7.515) 7.524 5.471 ( -4.196 8.298 -4.876) 10.499 5.624 ( 14.086 -4.090 2.794) 14.931 5.653 ( -3.168 0.621 -5.753) 6.597 5.801 ( 3.798 -4.393 7.195) 9.246 6.013 ( -1.706 -0.033 -1.978) 2.612 6.313 ( 2.093 -7.256 -7.970) 10.980 6.414 ( 3.320 0.760 -6.123) 7.007 6.659 ( -0.881 1.415 -0.246) 1.685 6.765 ( -4.335 3.031 5.677) 7.759 6.859 ( 5.283 5.197 -0.040) 7.411 6.941 ( -7.475 -2.310 4.357) 8.955 7.106 ( -2.408 4.524 15.294) 16.129 7.304 ( 1.968 8.132 -6.834) 10.803 7.704 ( -2.033 -1.473 0.705) 2.607 7.816 ( 4.384 0.223 0.939) 4.489 8.345 ( -2.911 3.971 -8.087) 9.468 8.518 ( -0.841 -4.251 5.113) 6.703 8.626 ( -6.823 3.255 -2.564) 7.983 8.720 ( 10.543 -4.379 1.393) 11.501 9.334 ( -5.548 -0.190 -0.001) 5.551 9.698 ( -5.999 2.077 -0.747) 6.393 9.906 ( 5.147 22.773 1.140) 23.376 10.415 ( 6.849 -12.027 -0.801) 13.864 10.716 ( 1.060 -2.676 2.158) 3.598 10.903 ( -2.855 0.330 2.860) 4.054 11.271 ( 2.187 5.797 -4.732) 7.796 11.398 ( 6.483 1.291 -0.195) 6.614 11.526 ( 3.948 5.104 0.728) 6.494 12.438 ( 7.155 -3.552 -0.805) 8.028 12.552 ( 2.635 -2.361 2.557) 4.365 12.874 ( -4.657 -2.046 -0.965) 5.177 13.256 ( -16.974 -23.070 -0.451) 28.645 13.438 ( -10.369 0.357 0.546) 10.390 13.845 ( 1.686 -1.330 1.020) 2.378 17.000 ( -5.302 -0.567 -0.639) 5.370 17.419 ( -16.783 17.092 -1.145) 23.982 17.520 ( -15.814 14.565 0.705) 21.510 19.291 ( 19.310 -20.822 -1.332) 28.429 19.854 ( 5.501 4.559 -0.371) 7.154 19.923 ( 9.750 12.843 8.571) 18.262 19.960 ( 8.570 4.120 3.103) 10.002 19.973 ( 5.150 4.579 -7.031) 9.845 22.172 ( -7.092 2.579 -1.005) 7.613 22.776 ( -2.322 -0.534 -0.774) 2.505 22.811 ( 3.643 -7.476 -0.076) 8.317 23.120 ( -0.799 -7.120 -0.409) 7.177 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -9.496 29.172 13.599) 33.558 1.180 ( -21.879 23.641 29.722) 43.829 1.949 ( -44.679 49.356 12.164) 67.677 3.144 ( -4.139 8.167 -2.737) 9.556 3.326 ( -13.183 14.755 -2.365) 19.927 4.032 ( 6.395 -2.770 2.258) 7.326 4.054 ( 0.172 0.140 -1.689) 1.704 4.167 ( 5.499 -12.481 2.738) 13.911 4.508 ( 6.767 -5.823 0.618) 8.949 4.796 ( 4.985 -0.335 10.817) 11.915 4.925 ( 6.451 3.216 0.985) 7.275 4.956 ( -1.776 -10.544 -0.861) 10.728 5.151 ( 2.970 -1.298 -5.782) 6.629 5.323 ( -4.148 -0.562 -2.479) 4.865 5.454 ( 0.590 2.897 8.944) 9.420 5.594 ( 3.908 -4.704 -4.310) 7.481 5.778 ( 2.740 -7.705 2.147) 8.455 5.946 ( -0.294 4.465 2.872) 5.317 5.985 ( -0.011 -0.687 -3.939) 3.998 6.212 ( 7.627 -4.047 -8.915) 12.411 6.439 ( -6.312 0.108 2.977) 6.980 6.562 ( -3.428 3.176 -5.753) 7.412 6.712 ( -4.948 6.730 -1.632) 8.511 6.751 ( -3.214 1.430 2.300) 4.203 6.940 ( -1.887 8.999 0.752) 9.226 7.230 ( 3.763 -1.712 -0.417) 4.155 7.424 ( 0.791 8.726 4.839) 10.010 7.635 ( 1.227 -3.766 0.035) 3.961 7.941 ( 4.326 5.868 1.036) 7.364 8.255 ( 1.709 -3.498 0.560) 3.933 8.442 ( -9.735 0.404 -5.055) 10.976 8.524 ( -3.676 1.297 7.572) 8.516 8.928 ( 10.571 -3.546 -1.744) 11.286 9.259 ( -3.893 0.623 1.487) 4.213 9.625 ( -2.777 2.299 1.488) 3.900 10.110 ( 22.451 29.151 -11.757) 38.627 10.484 ( 4.047 -13.232 0.755) 13.858 10.728 ( -0.595 -5.913 0.339) 5.953 10.909 ( 0.037 1.297 0.560) 1.414 11.246 ( 1.598 10.559 -3.750) 11.319 11.506 ( 6.267 -1.381 -2.409) 6.854 11.635 ( 6.239 5.111 5.105) 9.545 12.543 ( 5.658 -5.735 -1.191) 8.144 12.608 ( 0.560 -2.854 2.963) 4.152 12.734 ( -38.657 -29.450 1.086) 48.609 12.812 ( -8.192 -7.042 1.647) 10.928 13.268 ( -8.432 0.138 -1.437) 8.554 13.832 ( 1.048 -0.529 -8.043) 8.128 16.984 ( -0.648 3.100 6.111) 6.883 17.185 ( -10.840 14.427 1.230) 18.087 17.317 ( -8.511 14.700 -0.191) 16.987 19.532 ( 11.052 -18.352 -1.792) 21.497 19.834 ( 1.028 0.897 -11.006) 11.090 19.921 ( 2.186 2.687 -11.113) 11.640 20.104 ( 6.947 -1.694 1.021) 7.223 20.221 ( 12.135 6.733 4.380) 14.552 22.083 ( -5.152 6.552 4.231) 9.347 22.762 ( -1.502 2.675 4.544) 5.482 22.883 ( 3.168 -5.296 0.926) 6.240 23.130 ( -0.160 -2.460 3.531) 4.307 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.303 34.620 13.880) 37.300 1.938 ( -1.963 27.678 29.752) 40.683 2.744 ( 1.089 46.223 17.041) 49.276 3.262 ( 1.712 6.672 -7.179) 9.949 3.444 ( -4.173 19.739 -7.336) 21.468 3.998 ( -0.052 -7.596 2.811) 8.099 4.055 ( 6.663 -4.612 -0.587) 8.125 4.168 ( -1.959 4.261 1.138) 4.826 4.447 ( 0.939 -10.569 2.709) 10.951 4.727 ( -4.821 -3.650 7.521) 9.650 4.858 ( -1.582 -7.788 0.986) 8.008 5.001 ( 1.476 -7.567 3.487) 8.461 5.128 ( 5.490 -9.652 -1.417) 11.194 5.163 ( -1.893 -1.925 -8.700) 9.109 5.366 ( 2.667 -3.892 5.679) 7.383 5.540 ( -2.143 -2.833 2.627) 4.418 5.793 ( 3.344 1.281 10.468) 11.063 5.818 ( 0.358 -2.730 -6.766) 7.305 6.161 ( 7.151 2.768 -0.073) 7.668 6.280 ( -6.227 2.132 2.998) 7.232 6.480 ( 2.433 7.525 -5.897) 9.865 6.517 ( -8.173 5.045 0.996) 9.656 6.729 ( 0.743 2.312 -7.214) 7.612 6.816 ( 7.436 5.036 -1.553) 9.115 7.037 ( -8.374 11.188 -0.666) 13.990 7.204 ( -5.225 1.303 0.266) 5.392 7.556 ( 1.104 -5.488 0.647) 5.635 7.779 ( 4.498 13.048 1.941) 13.937 7.980 ( -1.460 -2.563 -1.316) 3.230 8.242 ( 7.422 -7.255 5.689) 11.836 8.396 ( -4.877 10.899 -7.276) 13.982 8.629 ( -1.316 3.470 3.637) 5.196 8.858 ( 0.332 -7.705 -1.734) 7.905 9.249 ( -0.834 -0.612 1.871) 2.137 9.678 ( 0.443 2.234 1.512) 2.734 10.167 ( -3.241 -7.580 -2.828) 8.716 10.516 ( 1.782 -1.968 -4.591) 5.304 10.676 ( 4.146 -1.759 -0.623) 4.547 10.900 ( -1.295 5.794 -13.001) 14.292 11.423 ( -3.109 0.736 -0.100) 3.196 11.486 ( 1.313 5.889 -6.820) 9.106 11.855 ( -4.948 8.208 -4.833) 10.733 12.137 ( 5.449 -9.929 25.523) 27.923 12.402 ( 0.191 -10.811 0.170) 10.814 12.561 ( -1.387 -5.772 4.991) 7.756 12.690 ( 1.538 -5.093 -2.671) 5.953 13.172 ( -0.151 0.987 -4.034) 4.156 13.659 ( -0.220 -5.393 -10.668) 11.956 17.258 ( -0.640 9.232 13.497) 16.365 17.466 ( 0.664 23.461 1.394) 23.512 17.647 ( -0.333 25.157 -1.249) 25.190 19.208 ( 1.648 -23.576 0.061) 23.633 19.654 ( -0.104 0.396 -20.884) 20.888 19.797 ( -0.893 -1.147 -13.319) 13.398 19.987 ( -0.962 -12.057 0.922) 12.130 20.172 ( 0.662 -11.765 -1.222) 11.847 22.306 ( 0.223 9.274 8.234) 12.404 22.854 ( 0.372 -3.028 1.775) 3.530 22.929 ( -0.533 6.040 7.859) 9.927 23.236 ( -0.264 2.597 4.384) 5.102 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -6.519 28.822 19.006) 35.134 2.361 ( 7.769 22.230 27.480) 36.189 3.180 ( 7.832 10.597 -5.035) 14.106 3.309 ( 9.722 15.698 -6.224) 19.486 3.327 ( 15.292 30.603 11.249) 36.013 3.992 ( -2.795 -1.771 0.997) 3.456 4.116 ( 4.717 -0.811 -4.513) 6.578 4.197 ( 0.568 -4.953 5.837) 7.677 4.497 ( -0.564 -12.426 6.602) 14.082 4.737 ( -3.743 -9.790 1.645) 10.609 4.772 ( -8.837 -4.018 4.234) 10.591 4.984 ( -4.792 3.885 -5.772) 8.448 5.020 ( -0.982 -15.977 -6.433) 17.251 5.174 ( 1.069 -2.584 1.865) 3.361 5.466 ( -6.317 3.777 10.029) 12.440 5.618 ( 4.040 -1.237 7.629) 8.721 5.781 ( 5.020 -5.227 -7.546) 10.462 6.003 ( -13.498 1.359 -3.330) 13.969 6.048 ( 9.430 2.287 5.864) 11.337 6.323 ( -12.376 6.559 3.962) 14.556 6.366 ( 0.609 4.567 -7.429) 8.742 6.445 ( 9.312 -0.582 0.131) 9.331 6.722 ( 5.845 -0.891 -3.835) 7.048 6.872 ( -10.193 8.048 -0.217) 12.989 6.960 ( 5.821 4.943 -0.732) 7.671 7.121 ( -2.439 5.580 1.836) 6.361 7.533 ( -1.789 -0.437 -2.360) 2.993 7.835 ( 0.540 9.256 2.136) 9.514 7.993 ( 0.183 -0.376 1.626) 1.679 8.258 ( 2.595 10.692 -11.041) 15.587 8.407 ( 5.372 -5.248 2.890) 8.047 8.606 ( -6.202 -2.945 -2.843) 7.431 8.854 ( -1.315 -2.074 8.700) 9.040 9.272 ( 1.394 -2.045 0.235) 2.486 9.722 ( 2.972 2.042 0.911) 3.719 10.048 ( -2.924 6.447 -6.389) 9.536 10.450 ( -3.409 -2.217 -3.186) 5.166 10.637 ( -3.113 -1.663 -1.633) 3.889 10.821 ( -1.617 -2.006 1.785) 3.134 11.356 ( -3.266 1.001 -7.030) 7.816 11.448 ( 3.527 4.321 -0.365) 5.589 11.735 ( -4.352 6.931 -2.478) 8.551 12.374 ( -1.853 -10.788 1.029) 10.994 12.482 ( -1.712 -5.184 0.829) 5.522 12.645 ( 11.251 -9.386 8.203) 16.792 12.791 ( 9.299 -5.960 5.264) 12.236 13.174 ( 6.971 -0.049 -6.320) 9.409 13.523 ( 1.208 -4.979 -12.842) 13.827 17.353 ( -4.440 10.847 13.932) 18.206 17.662 ( 12.155 21.102 5.119) 24.884 17.695 ( 9.454 24.307 0.206) 26.081 19.144 ( -8.442 -21.332 -0.479) 22.946 19.373 ( -0.044 0.437 -25.224) 25.228 19.598 ( -4.309 -4.156 -13.098) 14.401 19.991 ( -0.529 -9.404 1.759) 9.582 20.191 ( 2.431 -8.461 -1.422) 8.917 22.423 ( 0.429 7.237 10.019) 12.367 22.829 ( -4.416 -2.202 0.636) 4.975 23.016 ( -1.025 5.049 8.777) 10.178 23.235 ( -3.947 2.558 3.432) 5.822 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 8.788 15.001 23.219) 29.006 2.794 ( 8.329 15.675 22.022) 28.285 3.120 ( 6.783 14.693 -17.547) 23.870 3.276 ( 7.800 8.625 -9.058) 14.740 3.830 ( 6.372 3.092 1.748) 7.295 4.065 ( 5.318 2.913 0.881) 6.127 4.092 ( 5.057 8.451 5.536) 11.298 4.317 ( 1.938 -1.231 9.299) 9.578 4.520 ( -3.056 -11.813 1.998) 12.365 4.604 ( -9.869 -2.869 -0.875) 10.315 4.731 ( -3.460 -8.585 0.388) 9.264 4.835 ( 0.178 -4.649 -5.424) 7.146 5.009 ( 3.749 -4.742 3.043) 6.768 5.183 ( -5.334 -4.268 -1.528) 7.000 5.468 ( -2.117 4.299 -4.833) 6.806 5.578 ( -9.473 1.088 4.855) 10.700 5.733 ( -4.733 -2.385 -1.536) 5.518 5.797 ( -3.231 -0.121 0.651) 3.298 6.196 ( -0.117 3.810 2.569) 4.597 6.215 ( -3.080 3.371 -0.444) 4.588 6.355 ( 2.249 4.067 -0.553) 4.680 6.667 ( 12.537 2.257 2.897) 13.064 6.729 ( -5.287 3.368 0.078) 6.269 6.736 ( 0.058 -0.519 -3.062) 3.106 7.031 ( -1.973 0.151 5.188) 5.553 7.138 ( 3.253 1.770 1.672) 4.064 7.484 ( -1.648 2.354 0.755) 2.971 7.826 ( -4.082 8.858 0.283) 9.757 8.061 ( 6.824 2.728 0.634) 7.377 8.209 ( 6.757 9.482 -10.621) 15.760 8.351 ( -13.091 -4.035 -3.912) 14.247 8.527 ( 4.093 -1.526 -0.388) 4.386 8.992 ( -0.266 -1.000 13.420) 13.460 9.273 ( 0.451 -3.867 -3.610) 5.310 9.799 ( 4.758 2.987 1.129) 5.730 9.954 ( 1.172 11.419 -6.487) 13.185 10.381 ( -4.210 -4.546 2.507) 6.684 10.558 ( -5.424 -3.159 -1.023) 6.360 10.824 ( 0.447 -0.430 0.637) 0.889 11.225 ( -2.267 1.134 -6.263) 6.756 11.532 ( 4.309 4.464 1.778) 6.454 11.639 ( -2.635 6.520 -3.152) 7.706 12.344 ( -3.051 -7.469 1.970) 8.305 12.388 ( -4.590 -4.287 -3.106) 7.007 12.884 ( 8.051 -4.474 6.081) 11.037 13.045 ( 9.135 -7.560 4.369) 12.637 13.229 ( 9.269 -1.628 -7.612) 12.104 13.427 ( 4.577 -4.613 -10.741) 12.554 17.495 ( 1.362 9.221 15.248) 17.871 17.825 ( 13.085 23.007 -3.939) 26.759 18.045 ( 16.510 19.655 10.394) 27.694 18.933 ( -8.533 -12.748 -10.234) 18.441 19.110 ( -2.649 -3.342 -13.689) 14.338 19.349 ( -7.601 -7.320 -12.085) 16.044 19.994 ( -2.777 -2.648 2.633) 4.653 20.185 ( -1.453 -1.246 -2.112) 2.850 22.538 ( -0.400 2.188 8.636) 8.918 22.745 ( -5.089 -2.837 -0.294) 5.834 23.093 ( -1.321 2.129 7.513) 7.920 23.210 ( -3.003 0.019 2.347) 3.812 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 18.120 3.945 21.554) 28.433 3.050 ( 11.348 10.807 -19.414) 24.949 3.134 ( 4.714 8.628 16.184) 18.937 3.331 ( 8.180 10.033 -5.374) 14.016 3.803 ( -4.830 -4.366 -0.399) 6.523 3.972 ( 1.039 5.441 -7.731) 9.511 4.292 ( -3.424 -5.888 -1.636) 7.005 4.359 ( -1.183 -0.632 -2.782) 3.089 4.434 ( -6.436 1.513 0.366) 6.622 4.537 ( -1.306 -6.047 -1.690) 6.413 4.691 ( 2.040 1.512 9.953) 10.271 4.900 ( -7.597 -5.414 -6.523) 11.383 4.903 ( -0.512 -8.745 3.667) 9.497 5.175 ( 3.743 -1.188 4.447) 5.933 5.352 ( -3.892 -1.257 -6.229) 7.452 5.589 ( 2.788 -0.295 -4.560) 5.353 5.671 ( 1.177 3.569 5.435) 6.608 5.776 ( -3.470 -0.236 3.121) 4.673 6.154 ( -3.003 0.962 -2.060) 3.767 6.237 ( -1.034 0.242 2.072) 2.328 6.348 ( -1.732 -1.683 2.104) 3.203 6.595 ( -2.981 1.707 -7.044) 7.837 6.688 ( -1.461 0.929 0.226) 1.747 6.896 ( 4.411 1.476 2.166) 5.131 6.993 ( -5.747 5.898 5.713) 10.023 7.290 ( 7.148 3.186 4.724) 9.141 7.518 ( 1.621 0.336 3.631) 3.991 7.739 ( -4.265 2.620 -1.645) 5.268 8.047 ( -3.145 0.251 -6.137) 6.901 8.137 ( -5.601 7.309 -3.311) 9.786 8.343 ( 10.641 8.727 4.355) 14.435 8.572 ( 4.213 1.530 -3.797) 5.874 9.105 ( -1.700 -3.723 5.033) 6.487 9.214 ( -1.424 -5.060 -1.247) 5.403 9.902 ( 5.182 4.941 1.754) 7.371 9.938 ( 3.721 9.455 -3.381) 10.708 10.329 ( -4.083 -2.728 -1.731) 5.207 10.451 ( -8.211 -3.083 4.371) 9.800 10.853 ( 3.400 1.531 -1.333) 3.960 11.128 ( -2.072 0.322 -4.109) 4.614 11.579 ( 0.611 5.416 -0.382) 5.464 11.629 ( 3.591 6.927 -0.424) 7.814 12.264 ( -4.495 -3.376 -3.178) 6.458 12.348 ( -1.311 -5.047 3.509) 6.285 13.081 ( 5.909 -2.238 7.035) 9.456 13.134 ( 4.056 -2.563 -4.252) 6.411 13.334 ( 7.992 -4.077 -0.772) 9.005 13.418 ( 5.992 -3.818 -6.815) 9.845 17.754 ( 6.349 6.477 17.335) 19.564 17.991 ( 14.177 16.921 -8.969) 23.828 18.423 ( 13.807 16.236 6.738) 22.352 18.687 ( -2.471 -3.426 -11.841) 12.572 18.970 ( -3.031 -2.697 -2.761) 4.908 19.093 ( -6.792 -6.551 -6.857) 11.665 19.946 ( -7.484 5.452 3.480) 9.892 20.079 ( -7.666 6.362 -3.117) 10.438 22.596 ( -1.468 -3.956 3.426) 5.435 22.672 ( -3.104 -4.064 0.056) 5.114 23.142 ( -1.284 -2.150 4.056) 4.767 23.188 ( -1.858 -2.909 0.845) 3.554 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.22 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 13.035 2.455 -18.749) 22.966 3.281 ( 16.016 0.691 13.588) 21.015 3.309 ( -0.839 4.407 8.812) 9.888 3.401 ( 6.804 10.788 -3.767) 13.299 3.752 ( -5.196 -1.520 7.527) 9.272 3.922 ( 1.151 4.282 -5.419) 7.002 4.109 ( -3.762 -7.308 -13.447) 15.760 4.178 ( -7.464 1.238 2.572) 7.991 4.442 ( 3.724 -0.439 -3.845) 5.371 4.586 ( 0.029 2.847 4.799) 5.579 4.723 ( -1.803 -1.804 0.922) 2.712 4.852 ( 1.772 -1.389 3.613) 4.257 5.007 ( 3.896 -10.864 6.719) 13.355 5.075 ( -7.511 -9.803 -5.285) 13.433 5.303 ( -1.454 1.224 -1.347) 2.329 5.574 ( -1.564 1.909 -4.485) 5.119 5.754 ( -1.295 -3.270 3.455) 4.931 5.797 ( 5.093 1.526 0.518) 5.342 6.048 ( -3.275 -4.090 -4.280) 6.765 6.111 ( -10.308 -4.892 -4.688) 12.335 6.323 ( -4.516 -7.470 5.116) 10.117 6.567 ( 2.071 -2.619 -0.119) 3.341 6.747 ( 4.915 2.700 1.889) 5.917 6.881 ( -2.483 5.238 0.465) 5.815 6.981 ( -0.732 7.307 -3.158) 7.994 7.471 ( 5.686 14.013 8.205) 17.205 7.537 ( 1.766 -3.288 -5.063) 6.290 7.696 ( -0.194 -0.709 -1.686) 1.839 7.915 ( -5.988 7.334 -5.244) 10.823 8.042 ( -6.922 9.983 6.872) 13.958 8.554 ( 5.499 3.776 0.881) 6.729 8.617 ( 8.410 5.633 0.015) 10.122 9.030 ( 0.063 -5.978 -9.151) 10.931 9.248 ( -2.391 -7.292 7.286) 10.582 9.980 ( 3.667 5.440 -0.862) 6.617 10.000 ( 3.874 5.075 1.265) 6.509 10.224 ( -3.457 2.538 -2.552) 4.990 10.381 ( -9.012 -1.182 6.594) 11.229 10.897 ( 3.034 1.975 -0.506) 3.655 11.081 ( 0.403 0.014 -0.560) 0.690 11.603 ( 1.617 6.336 -0.375) 6.550 11.667 ( 3.164 6.518 -2.504) 7.666 12.164 ( -3.473 -1.688 -1.809) 4.264 12.377 ( -0.838 -3.685 3.485) 5.141 13.139 ( 3.650 -0.702 -4.890) 6.142 13.234 ( 2.386 -1.003 4.906) 5.547 13.431 ( 5.062 -2.829 -0.531) 5.823 13.476 ( 3.860 -2.688 2.947) 5.551 18.027 ( 9.916 3.287 -16.571) 19.589 18.097 ( 7.605 2.535 16.158) 18.037 18.490 ( -2.710 1.687 -10.174) 10.663 18.619 ( -0.152 2.583 2.769) 3.790 18.998 ( 7.191 7.805 2.857) 10.991 19.109 ( 8.275 8.329 7.897) 14.150 19.823 ( -12.164 12.314 3.371) 17.634 19.858 ( -13.462 12.409 -3.576) 18.655 22.577 ( -0.600 -6.786 -2.252) 7.175 22.636 ( -2.165 -6.873 -0.125) 7.206 23.137 ( -0.634 -6.120 -1.638) 6.368 23.170 ( -1.369 -5.721 0.020) 5.883 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.22 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 12.052 -3.643 -13.741) 18.637 3.247 ( -6.338 4.708 -2.611) 8.316 3.426 ( 3.715 5.689 -6.695) 9.539 3.606 ( -0.246 0.858 4.291) 4.383 3.761 ( -2.463 2.103 4.617) 5.639 3.841 ( 0.715 0.404 -2.480) 2.612 4.019 ( 0.163 3.747 1.505) 4.041 4.215 ( 0.730 -2.407 10.157) 10.464 4.499 ( 9.508 -1.830 -1.626) 9.818 4.610 ( -0.787 3.018 1.993) 3.701 4.749 ( 0.715 -3.028 -0.162) 3.115 4.854 ( -3.316 -1.529 -3.548) 5.092 4.955 ( -0.637 -4.180 -2.216) 4.774 5.152 ( 0.930 -5.171 5.890) 7.892 5.278 ( 1.467 -8.028 3.642) 8.936 5.406 ( -9.187 -3.568 -5.684) 11.377 5.723 ( -4.141 -9.860 -2.600) 11.005 5.840 ( 5.224 -4.058 0.218) 6.619 5.968 ( 0.113 -10.396 -4.111) 11.180 6.032 ( -0.750 5.731 5.944) 8.291 6.315 ( -4.103 -7.236 3.152) 8.896 6.615 ( 0.459 -4.071 3.270) 5.242 6.780 ( -0.491 4.608 0.230) 4.640 6.867 ( -0.288 4.066 -2.974) 5.046 6.923 ( 4.671 10.949 -9.218) 15.055 7.444 ( 1.055 -1.351 -10.683) 10.820 7.540 ( -8.163 6.243 -11.932) 15.747 7.655 ( -0.032 3.571 0.795) 3.659 7.851 ( 3.209 10.835 5.964) 12.778 8.068 ( -3.372 13.648 12.829) 19.032 8.590 ( 2.554 2.652 -1.692) 4.052 8.760 ( 1.366 5.597 1.689) 6.004 8.978 ( 6.185 -8.987 -5.625) 12.274 9.243 ( -4.789 -8.377 1.489) 9.763 10.019 ( 2.244 0.853 0.192) 2.408 10.079 ( 2.671 4.025 2.435) 5.410 10.188 ( -0.506 7.447 1.863) 7.694 10.295 ( -8.013 1.742 3.567) 8.943 10.957 ( 2.277 2.479 3.771) 5.054 11.115 ( 1.121 1.097 2.664) 3.092 11.591 ( -0.533 6.919 -2.675) 7.437 11.683 ( 2.967 5.651 -4.559) 7.844 12.126 ( 0.007 -0.305 1.009) 1.054 12.384 ( -2.303 -2.727 1.531) 3.884 13.138 ( 2.729 -1.030 -3.859) 4.837 13.264 ( -1.514 -1.552 -0.110) 2.171 13.533 ( 2.366 -1.001 6.420) 6.915 13.583 ( 1.481 -0.746 7.044) 7.237 17.972 ( 10.215 -5.180 -18.071) 21.394 18.092 ( -11.292 -8.267 -11.805) 18.309 18.561 ( 10.053 6.642 15.297) 19.472 18.726 ( -2.264 6.808 15.081) 16.700 19.191 ( 12.045 12.325 2.179) 17.371 19.401 ( 8.306 15.975 6.411) 19.112 19.553 ( -12.605 14.438 -2.773) 19.366 19.657 ( -12.895 15.442 4.420) 20.598 22.541 ( 0.811 -7.855 -4.172) 8.932 22.581 ( -1.537 -9.155 -3.759) 10.016 23.101 ( 0.647 -8.146 -4.196) 9.186 23.126 ( -1.544 -7.716 -3.421) 8.580 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -8.269 -1.722 -10.355) 13.363 3.141 ( -13.666 -2.934 -11.175) 17.895 3.188 ( 6.281 0.177 -6.721) 9.201 3.642 ( 7.593 4.009 -1.099) 8.656 3.794 ( -3.668 7.290 7.201) 10.883 3.914 ( -0.603 0.300 5.332) 5.375 4.075 ( 3.864 2.086 3.091) 5.370 4.334 ( 2.379 2.275 1.822) 3.763 4.593 ( -3.523 -0.958 1.521) 3.955 4.619 ( 3.192 -1.654 -2.019) 4.123 4.703 ( -1.117 -1.706 -1.679) 2.642 4.753 ( -5.191 -0.195 -1.259) 5.345 5.004 ( 5.751 -2.161 -0.985) 6.222 5.118 ( -3.353 -12.788 3.961) 13.801 5.342 ( 1.445 1.001 -1.781) 2.503 5.376 ( 3.240 -5.271 8.215) 10.284 5.648 ( -2.214 -4.976 -2.160) 5.859 5.930 ( -0.075 -3.428 3.158) 4.662 5.979 ( 4.315 -12.203 -0.826) 12.969 6.171 ( 8.021 -0.954 6.233) 10.202 6.245 ( -2.689 -3.204 -0.063) 4.183 6.598 ( -4.186 0.526 -3.891) 5.739 6.753 ( -6.817 2.167 -3.209) 7.840 6.774 ( -0.622 8.028 -0.621) 8.076 6.927 ( 4.321 2.571 -8.192) 9.612 7.278 ( -3.277 6.678 -10.190) 12.616 7.390 ( 8.213 0.984 -7.617) 11.244 7.547 ( -2.803 0.912 -8.874) 9.351 7.982 ( -2.025 8.657 10.356) 13.649 8.255 ( 6.291 11.350 11.701) 17.473 8.584 ( -5.345 5.416 0.013) 7.610 8.696 ( -0.750 2.979 -6.585) 7.267 9.044 ( -0.767 -9.211 0.106) 9.244 9.183 ( 1.622 -6.420 -0.495) 6.641 10.048 ( -0.804 1.063 0.988) 1.659 10.130 ( -1.567 7.558 5.191) 9.302 10.159 ( -4.803 -0.451 -1.729) 5.124 10.308 ( 5.372 4.875 4.933) 8.773 11.055 ( 1.017 4.022 6.859) 8.016 11.150 ( -1.818 2.485 3.578) 4.721 11.550 ( 0.796 6.947 -3.719) 7.920 11.645 ( 0.194 5.509 -5.772) 7.981 12.188 ( 3.887 -0.015 3.016) 4.920 12.334 ( -3.373 -2.243 -1.153) 4.212 13.142 ( -0.599 -2.979 -0.671) 3.112 13.216 ( -1.510 -2.443 -0.771) 2.974 13.628 ( -1.821 0.003 8.166) 8.367 13.677 ( -0.937 0.218 7.524) 7.586 17.712 ( -12.528 -6.527 -13.510) 19.547 18.015 ( 15.195 -9.589 -13.259) 22.330 18.750 ( -11.495 14.329 13.170) 22.603 18.933 ( -1.451 12.880 13.403) 18.645 19.182 ( -9.735 12.491 1.277) 15.888 19.435 ( 9.495 11.067 5.780) 15.686 19.547 ( -3.297 11.871 5.625) 13.544 19.745 ( 12.714 13.387 4.150) 18.923 22.492 ( -0.572 -9.416 -6.295) 11.341 22.515 ( 1.808 -9.275 -5.950) 11.167 23.041 ( -1.684 -7.429 -6.080) 9.746 23.065 ( 1.648 -8.466 -5.133) 10.037 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -25.607 -3.426 -14.428) 29.591 2.792 ( -13.807 11.376 -11.439) 21.234 3.336 ( 9.779 -4.811 1.456) 10.995 3.680 ( -2.398 3.866 -0.285) 4.559 3.905 ( 10.223 0.433 1.797) 10.388 3.920 ( -4.822 -4.530 3.384) 7.431 4.177 ( 3.288 1.936 2.700) 4.674 4.248 ( -5.769 0.321 -5.758) 8.157 4.481 ( -7.209 2.459 -2.872) 8.140 4.588 ( -6.251 10.511 -2.453) 12.473 4.719 ( -0.701 -1.641 2.410) 2.999 4.857 ( 14.866 0.201 8.962) 17.360 5.006 ( -0.599 -8.653 0.636) 8.697 5.155 ( 3.323 0.222 -9.656) 10.214 5.303 ( -5.788 4.191 4.429) 8.408 5.505 ( -5.442 -6.548 1.849) 8.713 5.695 ( 9.112 -3.363 9.496) 13.584 5.851 ( -6.075 -0.175 2.274) 6.489 6.087 ( 4.593 -5.394 -4.397) 8.339 6.213 ( 1.599 -5.563 3.262) 6.644 6.368 ( -1.654 -1.862 -0.336) 2.513 6.499 ( 9.227 3.742 -3.588) 10.584 6.596 ( -3.092 0.690 -10.673) 11.134 6.726 ( -3.962 1.217 0.894) 4.240 6.878 ( 0.587 -2.460 -2.389) 3.479 7.211 ( 1.376 1.283 -3.956) 4.381 7.360 ( 0.959 -1.780 -9.448) 9.662 7.622 ( 16.390 3.700 0.849) 16.824 8.061 ( -0.915 7.346 8.947) 11.613 8.361 ( -12.982 10.006 -7.218) 17.910 8.458 ( 3.636 4.206 6.403) 8.479 8.664 ( -0.035 3.573 -0.863) 3.675 8.947 ( -6.899 -3.196 -0.998) 7.668 9.275 ( 5.360 -8.211 0.947) 9.851 10.000 ( -6.540 1.850 0.400) 6.808 10.058 ( -2.341 -1.451 -1.337) 3.061 10.178 ( 0.621 8.722 3.188) 9.307 10.481 ( 6.504 0.845 5.402) 8.497 11.079 ( -7.573 5.536 5.387) 10.818 11.181 ( 2.136 1.819 2.146) 3.533 11.535 ( 1.866 7.257 -3.977) 8.483 11.585 ( 0.675 6.360 -3.398) 7.243 12.273 ( -1.050 -2.722 -1.159) 3.140 12.303 ( 4.630 -1.219 3.172) 5.743 13.057 ( -6.339 -2.594 -1.398) 6.990 13.229 ( -0.557 -6.355 2.054) 6.702 13.658 ( -5.582 0.380 7.226) 9.139 13.722 ( -3.039 -0.348 6.199) 6.913 17.375 ( -9.671 -2.881 -11.185) 15.065 18.165 ( 15.131 -10.119 -6.783) 19.425 18.579 ( -19.905 20.724 4.535) 29.091 18.671 ( -19.044 20.157 -2.466) 27.840 19.428 ( 8.537 3.335 18.420) 20.574 19.622 ( -1.668 1.727 17.659) 17.821 19.686 ( 12.379 10.992 -0.967) 16.583 19.971 ( 11.191 12.739 -0.103) 16.956 22.396 ( -0.864 -6.426 -7.274) 9.744 22.488 ( 3.927 -12.284 -6.937) 14.644 22.937 ( -1.439 -5.132 -6.658) 8.529 23.038 ( 2.131 -7.012 -4.763) 8.740 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -23.295 7.363 -9.801) 26.323 2.369 ( -19.651 16.538 -11.640) 28.199 3.517 ( 5.600 4.137 6.262) 9.364 3.619 ( -6.173 0.018 1.769) 6.422 3.828 ( -1.117 -6.221 -7.900) 10.117 4.059 ( -7.215 4.895 -1.581) 8.861 4.065 ( 0.808 -1.872 -3.936) 4.433 4.232 ( -5.463 13.318 -1.619) 14.485 4.316 ( -6.824 2.121 4.600) 8.499 4.470 ( -1.654 3.185 -2.458) 4.350 4.695 ( -3.432 1.861 1.607) 4.222 5.001 ( 4.540 -1.109 -9.727) 10.791 5.069 ( 1.629 -0.039 -0.361) 1.669 5.234 ( 9.072 -5.675 6.579) 12.561 5.280 ( -2.925 -0.560 5.993) 6.693 5.496 ( 5.648 0.271 6.890) 8.913 5.705 ( -5.229 1.746 0.054) 5.513 5.923 ( -2.390 6.470 -10.126) 12.252 6.066 ( 4.827 -4.589 2.191) 7.012 6.272 ( -5.169 1.485 -10.219) 11.547 6.351 ( 7.140 -13.164 -1.351) 15.036 6.453 ( 3.306 -8.377 10.700) 13.986 6.709 ( 1.623 1.031 2.186) 2.911 6.742 ( 11.521 5.321 1.074) 12.736 6.859 ( -0.672 -4.678 -2.187) 5.207 7.118 ( -3.027 0.707 -5.006) 5.892 7.417 ( 9.459 -5.118 0.329) 10.760 7.830 ( 0.005 8.396 2.124) 8.660 8.047 ( -11.840 12.833 -7.039) 18.825 8.225 ( 13.088 -1.136 3.196) 13.520 8.517 ( -0.907 3.206 1.540) 3.671 8.645 ( -3.087 3.316 1.416) 4.747 8.824 ( -6.478 1.688 -0.517) 6.714 9.338 ( 0.882 -5.684 0.366) 5.764 9.873 ( -6.666 2.417 -1.954) 7.355 10.039 ( 0.316 -6.177 0.445) 6.201 10.238 ( 3.225 10.089 2.018) 10.783 10.616 ( 2.182 -1.667 4.031) 4.878 10.994 ( -7.474 4.623 3.581) 9.490 11.237 ( 4.498 0.162 -1.217) 4.662 11.502 ( 1.123 7.549 -4.223) 8.723 11.609 ( 2.586 7.835 0.667) 8.278 12.281 ( 2.771 -3.634 -0.066) 4.570 12.408 ( 3.340 -3.207 2.867) 5.446 12.930 ( -6.784 -2.899 -1.041) 7.450 13.173 ( -9.827 -10.122 0.834) 14.132 13.598 ( -9.337 0.887 3.736) 10.096 13.747 ( -1.496 -2.633 5.112) 5.942 17.143 ( -5.175 1.509 -6.619) 8.537 18.174 ( -13.364 19.661 -0.772) 23.786 18.217 ( -22.111 23.294 -0.119) 32.117 18.579 ( 13.545 -13.870 -3.008) 19.619 19.754 ( 6.137 0.923 14.193) 15.491 19.800 ( 0.451 0.645 12.464) 12.489 19.858 ( 7.186 4.652 1.999) 8.790 20.119 ( 8.521 11.045 -2.509) 14.174 22.301 ( -1.283 -1.803 -5.474) 5.905 22.495 ( 6.719 -13.357 -6.246) 16.204 22.851 ( -0.520 -1.451 -4.719) 4.964 23.027 ( 2.249 -4.403 -3.128) 5.851 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -8.942 26.229 -1.010) 27.730 1.925 ( -21.292 23.934 -1.546) 32.071 3.478 ( -9.166 7.603 -0.468) 11.918 3.555 ( -35.551 37.751 -1.225) 51.871 3.660 ( 0.141 3.859 5.642) 6.837 3.807 ( 5.846 -6.702 -5.529) 10.472 4.019 ( -1.819 1.119 -7.794) 8.082 4.200 ( -0.460 6.122 1.795) 6.396 4.293 ( 3.111 -7.538 -2.612) 8.563 4.528 ( 2.017 -3.077 9.776) 10.445 4.709 ( 2.949 -3.622 0.742) 4.729 4.974 ( 3.074 -2.987 -6.231) 7.563 5.084 ( 1.660 -0.421 -7.569) 7.761 5.289 ( 2.017 -3.481 8.374) 9.291 5.419 ( -1.490 -9.210 10.397) 13.969 5.589 ( -6.488 -1.356 -1.196) 6.735 5.684 ( -1.776 4.231 -13.590) 14.344 5.854 ( 15.952 7.883 4.631) 18.386 6.027 ( -1.815 0.215 -4.133) 4.519 6.145 ( 0.321 -6.547 -8.428) 10.677 6.435 ( 7.064 0.203 -4.345) 8.296 6.637 ( -1.913 -6.429 10.968) 12.856 6.748 ( -4.014 -2.389 2.049) 5.101 6.882 ( 5.481 0.011 2.732) 6.124 6.953 ( 3.877 1.492 6.003) 7.300 7.124 ( 10.671 -2.160 3.478) 11.429 7.544 ( -5.488 7.808 0.015) 9.544 7.670 ( 1.575 2.976 -7.446) 8.172 7.894 ( -4.825 8.693 -0.083) 9.943 8.386 ( -0.617 -0.917 -5.326) 5.439 8.562 ( 2.714 6.276 5.357) 8.686 8.638 ( 4.429 -2.764 2.345) 5.723 8.707 ( -6.061 4.106 -2.241) 7.656 9.319 ( -3.182 -1.833 0.575) 3.717 9.749 ( -5.191 2.703 -1.497) 6.041 10.085 ( 3.862 -10.105 1.745) 10.958 10.335 ( 7.877 9.474 -1.564) 12.420 10.641 ( -2.477 -4.052 1.663) 5.032 10.945 ( -2.266 4.029 2.640) 5.323 11.328 ( 8.941 -0.157 -2.512) 9.289 11.486 ( 1.695 7.033 -2.623) 7.695 11.663 ( 1.929 7.952 1.988) 8.420 12.344 ( 3.972 -5.384 -0.066) 6.691 12.478 ( 1.261 -5.067 2.491) 5.785 12.815 ( -5.720 -3.679 -0.410) 6.814 12.885 ( -24.353 -12.697 -1.914) 27.530 13.449 ( -10.809 0.669 0.508) 10.842 13.778 ( 0.147 -4.683 1.110) 4.815 17.053 ( -0.509 5.785 -0.611) 5.840 17.841 ( -18.708 24.103 -1.146) 30.532 17.930 ( -15.303 24.978 0.735) 29.302 18.843 ( 17.871 -22.920 -1.508) 29.103 19.890 ( 0.816 0.067 0.950) 1.254 19.937 ( 3.055 -2.765 3.157) 5.191 19.966 ( 2.307 -1.076 1.842) 3.143 20.202 ( 3.335 3.761 -0.638) 5.067 22.236 ( -1.384 3.526 -1.156) 3.960 22.589 ( 10.171 -9.379 -1.325) 13.899 22.819 ( 0.454 2.513 -0.390) 2.583 23.047 ( 2.881 -1.387 -0.265) 3.208 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 8.953 38.526 8.137) 40.381 1.730 ( -12.288 29.279 20.081) 37.570 2.957 ( -33.214 47.210 3.885) 57.853 3.340 ( -3.507 7.253 -4.075) 9.028 3.614 ( -9.172 13.503 -0.101) 16.324 3.912 ( 6.839 -8.417 2.392) 11.106 3.959 ( 4.587 -1.410 -3.709) 6.065 4.189 ( -1.961 4.757 1.605) 5.390 4.371 ( 6.488 -4.368 -1.506) 7.965 4.708 ( -2.265 -5.171 15.945) 16.914 4.783 ( 5.887 -7.382 -1.919) 9.635 4.938 ( 3.335 -2.622 -4.874) 6.461 5.038 ( 1.593 -6.227 -0.825) 6.480 5.340 ( -5.443 -10.781 -7.189) 14.055 5.390 ( -1.467 -0.398 -4.383) 4.639 5.509 ( 0.969 -4.023 1.886) 4.547 5.646 ( 1.284 -0.116 7.786) 7.892 5.949 ( -7.787 -2.839 -1.267) 8.384 6.033 ( 4.953 3.130 -1.780) 6.124 6.204 ( 15.474 3.461 -1.448) 15.922 6.471 ( 0.599 2.887 -0.157) 2.953 6.649 ( -6.234 4.650 -1.306) 7.887 6.749 ( 2.851 -0.937 2.499) 3.905 6.841 ( -5.143 3.785 -3.834) 7.448 7.104 ( 3.523 3.510 4.316) 6.585 7.275 ( -10.014 8.536 2.211) 13.342 7.457 ( 9.497 -7.638 1.591) 12.291 7.704 ( 1.716 10.883 -0.692) 11.039 7.933 ( 6.743 -1.741 4.317) 8.193 8.217 ( -6.979 -0.864 -5.639) 9.014 8.562 ( -6.163 7.679 -4.505) 10.828 8.613 ( -1.995 6.451 4.713) 8.234 8.801 ( 8.421 -8.107 -0.832) 11.718 9.268 ( -3.601 -0.170 1.395) 3.866 9.679 ( -2.356 2.711 0.615) 3.644 10.181 ( 2.565 -15.174 1.957) 15.513 10.465 ( 12.741 7.632 -6.416) 16.179 10.612 ( -1.093 -5.180 0.971) 5.383 10.973 ( 5.605 5.357 -5.106) 9.284 11.448 ( 6.947 6.794 -2.008) 9.923 11.488 ( 2.868 1.697 -4.616) 5.693 11.746 ( 3.763 5.630 7.156) 9.852 12.342 ( -35.925 -8.657 3.256) 37.096 12.392 ( 1.286 -8.651 -1.048) 8.809 12.519 ( -0.124 -6.009 3.446) 6.929 12.734 ( -2.712 -4.415 -1.650) 5.438 13.277 ( -7.734 0.863 -1.933) 8.018 13.758 ( -0.017 -5.692 -5.190) 7.703 17.107 ( 2.747 8.864 6.049) 11.077 17.572 ( -12.700 23.395 0.778) 26.631 17.730 ( -8.416 25.263 -0.383) 26.630 19.090 ( 12.147 -24.243 -0.545) 27.121 19.842 ( -0.159 -0.286 -10.092) 10.098 19.932 ( 1.000 -0.553 -8.877) 8.951 19.992 ( 0.198 -8.843 0.044) 8.845 20.202 ( -1.647 -7.853 -0.918) 8.076 22.236 ( -0.675 7.763 4.082) 8.797 22.764 ( 7.316 -4.549 2.596) 8.997 22.855 ( 0.548 4.887 4.622) 6.749 23.133 ( 4.770 1.317 3.892) 6.296 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -0.326 25.861 24.429) 35.577 2.564 ( -1.592 28.796 7.144) 29.712 3.325 ( 0.700 7.996 -4.243) 9.079 3.483 ( -0.757 13.974 -0.441) 14.001 3.705 ( 3.052 -6.412 4.469) 8.390 3.858 ( 1.190 0.232 -3.437) 3.644 4.040 ( 1.022 3.374 -0.443) 3.554 4.247 ( -0.936 6.090 2.315) 6.582 4.377 ( -2.597 6.169 -9.377) 11.521 4.575 ( -2.327 -12.907 -4.700) 13.932 4.769 ( 1.084 -7.356 -3.172) 8.084 4.817 ( -5.260 1.600 10.627) 11.965 4.979 ( 0.071 -1.289 2.241) 2.586 5.238 ( 3.101 3.700 3.549) 5.992 5.311 ( 8.106 -2.820 2.746) 9.011 5.420 ( 3.412 -5.386 5.736) 8.576 5.768 ( -4.831 -1.055 -0.438) 4.965 5.854 ( 4.277 1.861 7.358) 8.712 6.223 ( 6.911 3.329 0.569) 7.692 6.305 ( -5.182 1.741 0.028) 5.467 6.641 ( -7.552 6.338 -2.232) 10.109 6.651 ( -5.465 7.018 1.898) 9.095 6.751 ( 0.814 0.214 -9.105) 9.144 6.871 ( 5.889 0.732 4.712) 7.578 7.164 ( -5.806 -1.804 4.617) 7.634 7.261 ( -6.353 3.083 1.754) 7.276 7.475 ( 7.009 1.718 -2.739) 7.719 7.911 ( -3.817 -3.997 -4.966) 7.430 8.011 ( 3.356 7.930 -0.518) 8.627 8.103 ( 9.126 -5.976 2.236) 11.135 8.581 ( -3.573 6.332 -6.625) 9.836 8.653 ( -0.907 -1.900 -2.095) 2.970 8.773 ( -0.446 1.915 3.418) 3.943 9.197 ( -0.673 -5.382 0.658) 5.463 9.722 ( 0.154 2.378 1.875) 3.032 9.978 ( -1.863 -8.040 6.460) 10.481 10.469 ( -0.336 -1.910 -0.693) 2.059 10.608 ( 1.230 -4.559 3.824) 6.076 11.093 ( 3.258 10.908 -19.288) 22.397 11.403 ( -3.531 -1.039 -2.556) 4.481 11.629 ( 0.471 6.417 -7.019) 9.522 12.003 ( 8.693 -4.792 4.389) 10.854 12.009 ( -11.692 5.390 5.095) 13.846 12.219 ( 3.460 -4.723 4.202) 7.206 12.420 ( -1.283 -7.887 6.686) 10.419 12.570 ( 1.597 -6.696 -3.517) 7.730 13.204 ( -0.061 2.351 -5.391) 5.881 13.527 ( -0.262 -7.176 -9.762) 12.119 17.492 ( -0.085 13.964 11.715) 18.228 18.000 ( 0.256 28.528 1.661) 28.577 18.207 ( -0.292 29.131 -1.360) 29.164 18.713 ( 1.008 -24.579 3.084) 24.792 19.627 ( -0.140 -9.788 -7.702) 12.455 19.722 ( -0.366 -7.350 -11.665) 13.793 19.763 ( -2.399 -3.206 -14.352) 14.900 19.878 ( 2.055 -16.313 -2.757) 16.672 22.471 ( 0.314 7.000 7.485) 10.253 22.782 ( 0.315 -3.951 3.689) 5.415 23.063 ( -0.404 6.675 7.544) 10.081 23.266 ( -0.260 0.406 5.621) 5.642 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -10.084 26.140 11.093) 30.134 2.797 ( 3.608 21.075 23.384) 31.686 3.301 ( 2.620 3.119 -4.341) 5.953 3.588 ( 6.840 8.567 -3.823) 11.610 3.792 ( 1.378 8.674 -5.730) 10.487 3.882 ( 9.683 -3.094 6.148) 11.880 4.088 ( 3.888 -3.307 1.021) 5.205 4.257 ( 0.769 -2.627 -5.880) 6.486 4.271 ( 1.702 1.182 1.582) 2.607 4.446 ( -2.799 -15.782 -6.441) 17.274 4.724 ( -3.430 -1.971 -0.972) 4.074 4.842 ( -3.280 -0.594 8.452) 9.085 5.041 ( -1.379 3.102 4.555) 5.681 5.208 ( -1.454 4.251 -4.373) 6.269 5.506 ( -6.324 0.283 9.039) 11.035 5.651 ( 13.403 4.817 11.483) 18.294 5.702 ( -1.339 -0.485 -2.372) 2.766 6.058 ( -14.722 3.878 -4.087) 15.763 6.079 ( 11.836 0.344 7.919) 14.245 6.417 ( 1.654 0.728 -6.722) 6.961 6.417 ( -2.206 -1.902 1.895) 3.475 6.482 ( -14.188 8.651 6.041) 17.682 6.753 ( 8.021 1.787 -8.354) 11.719 6.943 ( -5.589 -1.583 6.797) 8.941 7.044 ( -10.013 3.842 -0.701) 10.748 7.214 ( -3.891 2.170 4.155) 6.093 7.492 ( -1.145 -1.280 -3.137) 3.576 7.919 ( 9.183 -1.912 -1.131) 9.448 8.034 ( 1.453 4.164 -3.744) 5.785 8.285 ( 8.479 -6.105 -0.015) 10.448 8.432 ( -3.437 4.312 -6.089) 8.215 8.577 ( -2.637 2.751 -5.013) 6.297 8.846 ( 0.864 1.178 8.632) 8.755 9.203 ( 0.841 -5.265 -0.811) 5.393 9.771 ( 2.129 3.176 3.131) 4.941 10.026 ( -1.250 -4.355 6.541) 7.956 10.453 ( -0.510 0.403 -2.863) 2.936 10.622 ( -5.550 -2.450 2.109) 6.423 10.883 ( -0.047 9.105 -10.704) 14.053 11.320 ( -2.121 -3.176 -6.460) 7.505 11.573 ( 2.585 6.858 -2.418) 7.718 11.880 ( -4.336 6.943 -3.481) 8.895 12.144 ( 1.978 -10.905 2.296) 11.318 12.368 ( -2.588 -6.366 0.330) 6.880 12.516 ( 12.214 -3.426 7.569) 14.772 12.673 ( 9.109 -5.819 4.668) 11.774 13.180 ( 6.206 0.782 -7.870) 10.053 13.405 ( 2.170 -6.169 -12.776) 14.352 17.592 ( -6.238 13.292 15.933) 21.667 18.157 ( 12.997 26.855 3.040) 29.989 18.245 ( 7.546 28.524 -2.079) 29.579 18.699 ( -7.841 -21.660 5.243) 23.625 19.404 ( 1.174 2.200 -25.495) 25.617 19.513 ( -4.483 -4.746 -17.664) 18.832 19.729 ( 4.510 -16.158 1.532) 16.845 19.940 ( 7.662 -15.884 -2.060) 17.755 22.551 ( -2.359 5.414 8.597) 10.429 22.779 ( -5.370 -2.744 3.346) 6.897 23.126 ( -3.450 5.385 8.390) 10.550 23.272 ( -6.009 0.975 5.305) 8.075 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -0.994 19.209 17.168) 25.782 3.095 ( 3.168 13.389 16.104) 21.181 3.341 ( 6.065 4.374 -1.004) 7.545 3.506 ( 0.742 14.739 -13.278) 19.852 3.769 ( -0.638 -2.558 -2.088) 3.363 4.060 ( 1.415 -6.447 0.879) 6.659 4.157 ( 3.477 -1.049 -7.587) 8.412 4.238 ( -2.872 -11.508 0.998) 11.903 4.325 ( 13.031 -3.090 0.741) 13.413 4.486 ( 3.435 -9.320 4.059) 10.730 4.671 ( -0.260 2.205 0.665) 2.318 4.867 ( -10.108 6.157 3.078) 12.229 4.940 ( -0.793 -2.157 -4.796) 5.318 5.168 ( -4.345 3.271 3.706) 6.581 5.503 ( 0.736 -2.584 1.873) 3.275 5.546 ( -9.444 -2.096 -9.187) 13.341 5.769 ( -9.675 6.078 0.236) 11.428 5.939 ( 1.389 12.515 6.645) 14.238 6.193 ( -1.793 -1.903 2.805) 3.834 6.337 ( -11.134 6.632 5.934) 14.254 6.434 ( 1.283 3.699 -0.790) 3.994 6.606 ( 10.044 -4.538 9.229) 14.375 6.727 ( 0.227 -1.285 -4.839) 5.012 6.848 ( -6.858 5.990 -4.328) 10.082 6.991 ( -0.083 -4.035 10.675) 11.412 7.175 ( -5.380 -0.965 3.284) 6.377 7.456 ( 0.140 -1.140 1.092) 1.585 7.908 ( -1.436 -5.326 -10.855) 12.176 8.130 ( 7.235 8.208 -0.315) 10.947 8.277 ( 0.681 0.038 -1.001) 1.211 8.429 ( 2.561 5.539 -4.629) 7.660 8.521 ( 4.780 2.744 -2.565) 6.079 8.967 ( -0.893 -1.288 10.246) 10.366 9.184 ( -0.668 -5.148 -3.295) 6.149 9.868 ( 3.544 4.111 5.325) 7.604 10.086 ( 0.987 0.985 3.495) 3.763 10.357 ( -4.189 2.017 -4.461) 6.443 10.513 ( -6.785 -1.595 -0.924) 7.031 10.868 ( 5.215 5.171 -3.535) 8.151 11.210 ( -1.069 -2.411 -6.554) 7.065 11.641 ( 4.630 6.194 1.140) 7.817 11.775 ( -2.267 6.418 -3.887) 7.839 12.181 ( -0.084 -8.041 2.611) 8.454 12.281 ( -3.163 -6.122 -3.324) 7.651 12.805 ( 10.379 -2.797 7.117) 12.892 12.913 ( 9.656 -5.527 6.200) 12.737 13.205 ( 8.807 -0.699 -9.995) 13.340 13.330 ( 6.686 -4.610 -11.506) 14.084 17.703 ( -4.220 11.373 18.815) 22.387 18.320 ( 9.411 24.254 -6.184) 26.740 18.493 ( 13.845 19.880 4.878) 24.712 18.612 ( -6.915 -12.132 4.941) 14.812 19.155 ( 3.914 4.871 -21.559) 22.447 19.219 ( -4.896 -5.050 -17.068) 18.460 19.847 ( 5.504 -11.690 2.890) 13.241 20.047 ( 7.524 -12.067 -2.810) 14.496 22.581 ( -5.211 2.040 6.684) 8.717 22.696 ( -7.974 -2.115 2.552) 8.635 23.142 ( -5.549 2.468 7.072) 9.322 23.213 ( -7.110 0.166 3.973) 8.146 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 8.751 10.105 19.418) 23.574 3.274 ( 2.546 5.164 5.557) 8.002 3.329 ( 2.015 14.817 -12.215) 19.308 3.511 ( 4.410 5.875 6.710) 9.949 3.719 ( -0.375 -0.306 -3.946) 3.975 3.983 ( 0.512 -7.286 -10.006) 12.388 4.104 ( 0.986 -5.711 -9.941) 11.507 4.247 ( -2.007 -8.224 2.134) 8.730 4.455 ( -4.644 0.302 0.838) 4.728 4.522 ( 3.040 -0.501 4.910) 5.797 4.728 ( 3.089 3.369 -1.454) 4.797 4.751 ( -3.559 -6.111 0.321) 7.079 4.810 ( -8.169 -3.936 2.632) 9.442 5.144 ( -3.389 0.059 -3.288) 4.722 5.365 ( -3.099 -1.825 -0.652) 3.655 5.575 ( 0.631 -8.445 4.241) 9.471 5.665 ( -2.117 6.770 -0.239) 7.098 5.915 ( -1.870 7.621 -2.404) 8.207 6.160 ( -7.137 0.005 -4.180) 8.271 6.263 ( -6.084 2.256 1.533) 6.667 6.291 ( -13.448 -1.239 4.861) 14.354 6.637 ( -4.267 3.092 -5.166) 7.379 6.666 ( -0.843 -2.225 2.088) 3.166 6.936 ( 4.298 1.219 0.470) 4.492 7.094 ( -1.370 2.623 11.352) 11.731 7.264 ( 10.746 -2.867 5.333) 12.334 7.538 ( 3.918 1.247 5.943) 7.227 7.747 ( -1.012 -2.388 -10.298) 10.620 8.130 ( -1.823 8.214 0.986) 8.471 8.335 ( 1.114 10.476 -6.143) 12.195 8.467 ( 9.064 3.219 2.633) 9.972 8.602 ( 6.507 1.460 -3.010) 7.317 9.028 ( -3.457 -3.872 4.405) 6.808 9.112 ( -2.869 -4.965 -1.601) 5.954 9.995 ( 3.325 4.368 4.830) 7.312 10.121 ( 1.623 7.841 -2.201) 8.305 10.265 ( -2.392 -3.390 -1.018) 4.272 10.396 ( -6.918 -2.495 2.618) 7.806 10.919 ( 5.204 4.654 -3.624) 7.866 11.123 ( -1.074 -0.844 -5.352) 5.523 11.698 ( 1.449 6.012 0.122) 6.185 11.761 ( 3.262 5.781 -0.680) 6.673 12.184 ( -1.903 -4.307 -2.026) 5.127 12.238 ( 0.429 -5.568 2.714) 6.209 13.039 ( 7.028 -1.672 7.242) 10.229 13.083 ( 5.912 -2.296 0.825) 6.396 13.268 ( 9.366 -2.302 -3.932) 10.415 13.343 ( 8.075 -3.488 -8.625) 12.319 17.900 ( -0.574 7.989 21.178) 22.642 18.299 ( 4.839 11.303 -20.661) 24.042 18.517 ( -8.644 -7.863 14.051) 18.275 18.717 ( 2.250 4.563 -13.626) 14.545 19.058 ( 10.461 11.409 -0.175) 15.479 19.132 ( 11.754 13.290 -7.890) 19.418 19.957 ( 2.264 -4.620 3.842) 6.421 20.096 ( 2.407 -4.993 -3.794) 6.717 22.530 ( -6.471 -2.176 2.166) 7.163 22.597 ( -6.699 -3.225 1.689) 7.624 23.105 ( -6.204 -1.395 3.318) 7.172 23.135 ( -6.272 -2.203 2.108) 6.974 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 5.797 8.680 -16.624) 19.630 3.326 ( 10.885 3.324 13.218) 17.443 3.391 ( -1.358 3.569 7.827) 8.708 3.635 ( 3.753 10.733 -0.246) 11.373 3.691 ( -3.073 -2.929 5.735) 7.135 3.853 ( 0.701 -9.958 -14.416) 17.535 4.010 ( 1.239 -1.198 -6.551) 6.774 4.157 ( -3.591 -3.461 -0.004) 4.988 4.444 ( 0.963 0.726 -0.974) 1.550 4.609 ( -2.033 -2.649 1.031) 3.495 4.665 ( -0.196 0.606 7.421) 7.449 4.800 ( 1.204 -8.185 1.767) 8.459 4.871 ( 2.991 -1.344 6.160) 6.978 4.944 ( -7.044 -2.381 -3.611) 8.266 5.302 ( -6.730 -4.079 -3.225) 8.505 5.528 ( -14.550 -10.602 4.775) 18.626 5.644 ( -1.043 -1.069 -3.480) 3.787 5.839 ( -2.824 -0.386 -4.038) 4.942 5.981 ( -4.955 -0.448 -6.024) 7.813 6.147 ( -3.430 8.250 4.366) 9.944 6.204 ( -2.435 -2.824 1.185) 3.913 6.550 ( -0.442 2.247 -1.732) 2.871 6.747 ( 2.356 -2.901 4.319) 5.711 6.914 ( -1.680 -1.427 -1.034) 2.434 7.170 ( 1.631 8.635 -0.926) 8.836 7.469 ( 6.415 -2.482 -3.749) 7.833 7.660 ( 3.429 4.281 3.281) 6.391 7.690 ( 2.891 0.044 -2.610) 3.895 8.131 ( -0.199 13.800 0.483) 13.810 8.272 ( -2.377 11.768 1.626) 12.116 8.629 ( 3.899 3.356 -0.243) 5.150 8.687 ( 8.836 0.643 0.601) 8.879 8.936 ( -2.560 -3.540 -7.385) 8.580 9.095 ( -3.801 -7.556 5.565) 10.124 10.064 ( -0.807 2.040 -0.122) 2.197 10.074 ( 1.748 3.499 -3.991) 5.588 10.278 ( 0.815 2.318 3.561) 4.326 10.356 ( -6.035 -1.136 7.410) 9.624 10.953 ( 3.101 3.220 -1.725) 4.792 11.074 ( 0.944 -0.656 -1.279) 1.720 11.739 ( 2.743 6.764 -0.169) 7.301 11.793 ( 2.199 5.511 -2.190) 6.325 12.130 ( -1.439 -1.485 -1.271) 2.427 12.290 ( 0.353 -4.816 3.544) 5.990 13.133 ( 4.785 0.271 -4.595) 6.640 13.213 ( 3.289 -1.127 2.875) 4.512 13.382 ( 6.694 -1.866 -0.073) 6.950 13.423 ( 5.455 -2.438 4.287) 7.354 18.076 ( 2.483 1.845 -19.924) 20.162 18.131 ( -1.021 0.831 7.914) 8.023 18.495 ( -2.819 -0.261 -6.593) 7.175 18.607 ( -5.759 -2.622 20.500) 21.454 19.288 ( 16.564 18.709 -4.861) 25.456 19.399 ( 16.906 18.024 6.581) 25.573 19.988 ( -3.623 3.113 0.850) 4.852 20.035 ( -4.917 4.341 -1.080) 6.647 22.446 ( -3.661 -5.579 -1.522) 6.844 22.498 ( -5.143 -6.237 -1.810) 8.284 23.021 ( -4.485 -4.873 -1.362) 6.762 23.055 ( -4.884 -5.269 -0.067) 7.185 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 6.135 2.337 -15.945) 17.244 3.339 ( -5.003 2.565 -9.143) 10.734 3.470 ( -4.953 1.040 -5.028) 7.134 3.720 ( 1.805 8.206 2.873) 8.880 3.775 ( 10.607 -1.806 2.918) 11.149 3.782 ( -1.454 -4.146 8.426) 9.503 4.032 ( 5.318 -1.003 1.598) 5.643 4.178 ( -4.106 -0.415 8.570) 9.512 4.439 ( 7.214 -3.373 -7.349) 10.836 4.573 ( 0.072 -3.969 -2.330) 4.602 4.674 ( -3.420 -3.167 -1.331) 4.848 4.814 ( 3.089 -6.850 3.354) 8.229 4.917 ( -7.490 -1.322 0.300) 7.611 5.024 ( -5.869 -8.763 4.495) 11.465 5.144 ( -0.858 -3.875 6.655) 7.748 5.263 ( -8.027 -8.517 1.779) 11.838 5.615 ( 2.866 -0.832 -4.019) 5.005 5.784 ( -2.147 -2.896 0.979) 3.736 5.869 ( -0.711 2.142 -5.475) 5.922 6.139 ( -2.867 0.027 4.701) 5.506 6.255 ( 2.759 5.682 -0.205) 6.320 6.568 ( 1.109 0.912 2.048) 2.501 6.796 ( 0.247 -2.695 1.760) 3.229 6.896 ( -1.103 -1.894 0.389) 2.226 7.153 ( 1.222 9.935 -5.806) 11.572 7.427 ( 4.157 0.875 -13.564) 14.213 7.640 ( 0.121 3.077 -12.456) 12.831 7.672 ( -3.756 -0.834 -2.693) 4.696 8.130 ( -0.761 14.724 2.734) 14.995 8.348 ( 0.667 13.330 11.138) 17.384 8.655 ( 1.534 3.329 -0.622) 3.718 8.815 ( 0.620 -5.166 -9.035) 10.426 8.840 ( 3.865 0.146 3.706) 5.356 9.087 ( -2.770 -7.263 2.364) 8.125 10.033 ( 1.324 0.850 -0.518) 1.657 10.115 ( 2.364 -0.073 0.509) 2.419 10.287 ( -5.439 3.338 4.307) 7.699 10.357 ( -2.490 3.070 4.534) 6.015 11.013 ( 2.860 2.874 4.343) 5.942 11.123 ( 2.089 -0.339 3.989) 4.516 11.739 ( -0.448 7.194 -3.062) 7.831 11.797 ( 2.413 5.104 -4.408) 7.162 12.126 ( 0.715 0.414 2.044) 2.205 12.316 ( -1.628 -3.936 2.246) 4.816 13.127 ( 2.194 0.036 -5.665) 6.075 13.225 ( -0.302 -2.220 -3.062) 3.794 13.525 ( 2.835 0.158 8.576) 9.034 13.568 ( 2.038 -0.741 8.684) 8.951 17.889 ( 4.503 -2.852 -19.826) 20.530 17.958 ( -6.381 -5.123 -16.123) 18.081 18.672 ( 4.210 4.368 22.994) 23.781 18.795 ( -4.295 0.821 25.303) 25.678 19.506 ( 14.175 16.945 -3.037) 22.300 19.737 ( 12.632 16.419 4.388) 21.176 19.818 ( -9.063 10.385 -4.642) 14.544 19.949 ( -9.456 12.302 4.043) 16.034 22.372 ( -0.712 -8.282 -5.154) 9.780 22.389 ( -1.992 -9.084 -6.020) 11.079 22.942 ( -0.987 -6.933 -3.825) 7.980 22.971 ( -2.728 -7.103 -3.146) 8.233 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -6.427 -2.209 -13.634) 15.234 3.045 ( -0.760 -4.319 -11.160) 11.991 3.328 ( -3.213 9.513 -8.547) 13.186 3.739 ( 8.344 3.454 -9.705) 13.256 3.847 ( -5.274 -0.922 11.987) 13.128 3.989 ( -4.150 7.837 6.298) 10.877 4.094 ( 2.297 0.471 3.720) 4.397 4.280 ( 9.698 -5.751 7.273) 13.418 4.487 ( -9.218 -6.094 -0.341) 11.055 4.560 ( 6.951 -4.538 -3.003) 8.828 4.629 ( -0.449 -4.451 0.548) 4.507 4.725 ( -11.544 -11.731 -0.113) 16.459 4.839 ( 2.085 -3.294 -1.226) 4.087 4.976 ( 12.074 -6.965 0.333) 13.943 5.304 ( -0.105 -1.295 7.363) 7.476 5.361 ( 1.295 -0.077 9.047) 9.139 5.652 ( 6.001 1.301 -4.336) 7.517 5.779 ( 0.463 -3.727 3.396) 5.063 5.869 ( 4.861 -1.041 1.449) 5.178 6.189 ( 3.484 -3.251 -0.784) 4.829 6.236 ( -3.260 7.375 2.495) 8.440 6.590 ( -0.492 1.590 -0.668) 1.794 6.776 ( -9.007 -3.641 1.141) 9.782 6.868 ( 1.438 1.266 -1.544) 2.460 7.034 ( -3.827 7.670 -12.653) 15.284 7.341 ( 3.127 2.653 -12.933) 13.567 7.465 ( -1.570 2.218 -9.152) 9.546 7.562 ( 2.437 0.875 -8.684) 9.062 8.163 ( -2.280 9.587 6.353) 11.724 8.485 ( 1.780 9.406 6.956) 11.834 8.680 ( -1.331 4.046 3.020) 5.222 8.709 ( -0.174 -0.699 -8.186) 8.218 8.910 ( -0.266 -4.121 2.255) 4.705 9.078 ( 0.779 -4.403 0.221) 4.477 10.058 ( -0.328 0.363 0.282) 0.565 10.130 ( -1.109 -1.432 -2.080) 2.758 10.265 ( -2.593 5.071 6.402) 8.569 10.382 ( 0.139 2.106 4.667) 5.122 11.137 ( 2.509 3.848 7.600) 8.881 11.201 ( -1.404 2.264 6.552) 7.073 11.689 ( 0.375 6.395 -3.968) 7.536 11.754 ( 0.339 4.721 -5.984) 7.630 12.191 ( 2.341 0.401 3.692) 4.390 12.285 ( -3.737 -2.533 0.470) 4.539 13.091 ( -0.776 -1.812 -2.636) 3.291 13.160 ( -2.406 -2.992 -3.030) 4.891 13.637 ( -2.476 0.870 9.487) 9.843 13.681 ( -1.300 0.082 8.818) 8.913 17.626 ( -6.949 -2.074 -15.351) 16.978 17.834 ( 10.905 -7.986 -15.577) 20.624 18.976 ( -5.060 7.363 24.202) 25.799 19.078 ( 2.721 3.001 26.246) 26.557 19.503 ( -15.794 16.926 -5.010) 23.686 19.670 ( 2.515 12.584 2.787) 13.132 19.815 ( -5.456 12.775 0.316) 13.895 20.025 ( 11.179 12.450 2.868) 16.976 22.279 ( 0.659 -10.422 -9.127) 13.870 22.320 ( 3.337 -9.639 -8.560) 13.316 22.895 ( -0.247 -6.483 -5.401) 8.442 22.906 ( 2.535 -6.812 -4.521) 8.559 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -14.866 5.659 -13.371) 20.780 3.019 ( -4.676 7.852 -7.291) 11.691 3.207 ( 7.011 -4.143 -6.045) 10.142 3.734 ( 6.162 -4.345 -14.561) 16.397 3.879 ( -7.080 5.378 10.238) 13.560 3.926 ( -2.135 1.384 4.509) 5.177 4.199 ( -6.620 -1.145 -0.320) 6.726 4.232 ( -1.122 1.408 -3.080) 3.568 4.476 ( -1.270 -1.238 -0.449) 1.830 4.600 ( -3.354 -8.350 3.993) 9.845 4.658 ( 5.900 -3.843 2.688) 7.536 4.802 ( 14.366 -6.960 8.663) 18.163 4.955 ( 2.965 3.582 8.123) 9.360 5.166 ( 9.441 -1.391 -5.767) 11.150 5.295 ( -6.153 -3.777 0.309) 7.226 5.497 ( 6.277 -3.589 9.885) 12.247 5.676 ( 5.706 5.896 -2.783) 8.664 5.868 ( -2.927 -1.232 2.582) 4.093 5.960 ( 1.630 1.265 0.377) 2.097 6.146 ( 2.465 -0.698 -0.365) 2.588 6.321 ( -3.624 -2.381 0.081) 4.337 6.479 ( 2.590 -2.944 -9.448) 10.230 6.680 ( -1.905 2.996 -0.235) 3.558 6.781 ( -4.024 3.402 -9.541) 10.900 6.865 ( -2.061 1.762 -0.596) 2.776 7.216 ( -1.760 -0.834 -6.820) 7.093 7.363 ( 0.077 2.164 -7.103) 7.426 7.650 ( 14.622 -2.099 -4.063) 15.320 8.199 ( -2.346 7.359 6.561) 10.135 8.510 ( -4.918 3.075 -3.628) 6.841 8.609 ( -1.604 10.401 2.294) 10.771 8.714 ( -0.274 1.799 1.468) 2.338 8.896 ( -3.575 -2.380 1.485) 4.544 9.122 ( 4.214 -6.693 -0.455) 7.922 10.012 ( -4.894 0.122 0.625) 4.935 10.041 ( -4.253 -0.239 -3.736) 5.667 10.329 ( 0.785 5.603 5.151) 7.652 10.480 ( 3.269 -0.777 5.510) 6.454 11.198 ( -7.079 5.395 4.952) 10.185 11.236 ( 0.244 3.503 3.824) 5.191 11.674 ( 2.417 6.096 -3.896) 7.628 11.706 ( 1.845 5.148 -2.501) 6.013 12.224 ( -3.282 -1.835 0.894) 3.865 12.272 ( 1.818 -1.814 3.203) 4.105 13.006 ( -5.879 -2.218 -2.032) 6.604 13.106 ( -2.910 -5.596 0.045) 6.308 13.668 ( -6.182 0.662 8.248) 10.329 13.718 ( -5.104 -0.170 6.635) 8.373 17.372 ( -3.634 2.480 -11.957) 12.740 17.904 ( 14.787 -13.375 -9.688) 22.167 19.015 ( -16.937 19.872 10.208) 28.036 19.143 ( -19.366 24.158 0.486) 30.966 19.455 ( 4.132 -0.202 21.655) 22.047 19.686 ( -4.818 5.526 12.331) 14.346 19.836 ( 4.225 3.202 -1.093) 5.413 20.188 ( 4.698 6.280 1.690) 8.023 22.208 ( 5.837 -9.978 -11.169) 16.073 22.293 ( 5.747 -7.316 -8.961) 12.917 22.842 ( 2.198 -3.755 -6.020) 7.427 22.915 ( 4.477 -5.173 -4.131) 7.992 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -6.301 19.480 -6.691) 21.539 2.729 ( -13.052 18.472 -10.289) 24.848 3.369 ( 8.212 -11.534 4.082) 14.736 3.645 ( 2.890 -8.689 -11.331) 14.569 3.855 ( -4.386 10.010 4.251) 11.726 3.995 ( 0.615 -2.834 1.038) 3.080 4.026 ( -2.939 -3.736 -2.478) 5.361 4.225 ( 0.847 0.217 -2.826) 2.958 4.466 ( 0.198 2.795 0.329) 2.821 4.576 ( -5.057 -1.968 4.182) 6.851 4.783 ( -0.226 4.035 6.078) 7.299 5.008 ( -2.571 2.780 9.235) 9.981 5.073 ( -7.845 2.395 -6.790) 10.649 5.141 ( 8.341 -0.734 -5.967) 10.282 5.299 ( -0.721 0.519 12.632) 12.663 5.646 ( 5.780 10.488 -5.006) 12.980 5.744 ( -0.274 3.646 0.884) 3.762 5.893 ( 11.460 -15.133 5.618) 19.797 6.025 ( 0.909 3.154 -4.598) 5.650 6.037 ( 1.237 -7.770 -10.171) 12.860 6.270 ( -0.195 -4.195 -2.155) 4.720 6.370 ( -2.149 -1.521 -4.709) 5.395 6.730 ( 7.410 0.765 2.438) 7.838 6.799 ( -4.659 0.158 0.902) 4.748 6.821 ( 6.774 1.980 1.592) 7.235 7.126 ( -2.821 -1.004 -2.834) 4.123 7.356 ( 7.542 0.861 -3.031) 8.174 7.860 ( 12.400 -6.308 -2.362) 14.111 8.234 ( -1.474 6.403 3.005) 7.225 8.317 ( -9.589 9.389 -3.393) 13.842 8.651 ( 1.714 8.551 2.975) 9.215 8.694 ( -4.797 1.635 1.760) 5.365 8.836 ( -4.664 -1.004 0.651) 4.815 9.190 ( 4.037 -8.522 -0.667) 9.454 9.912 ( -5.695 1.438 -2.416) 6.351 9.943 ( -4.333 -2.233 0.561) 4.907 10.401 ( 2.455 5.520 2.513) 6.543 10.574 ( 0.461 -2.212 3.734) 4.364 11.108 ( -7.307 5.835 2.245) 9.617 11.247 ( 1.259 0.677 -1.420) 2.015 11.662 ( 1.580 8.126 -3.252) 8.894 11.759 ( 3.486 6.617 1.424) 7.613 12.213 ( -0.190 -2.829 2.094) 3.525 12.325 ( 0.360 -5.012 2.538) 5.630 12.873 ( -7.401 -2.372 -1.174) 7.860 13.002 ( -10.880 -6.804 -0.029) 12.832 13.613 ( -9.693 0.634 4.470) 10.693 13.694 ( -4.652 -2.426 4.689) 7.036 17.235 ( 0.577 7.441 -6.819) 10.110 18.085 ( 16.245 -17.673 -4.619) 24.445 18.711 ( -20.710 24.785 -1.258) 32.323 18.840 ( -19.834 28.148 2.581) 34.530 19.723 ( 2.665 -4.027 10.912) 11.932 19.813 ( 0.299 0.806 11.830) 11.861 19.878 ( -0.754 -2.359 4.745) 5.352 20.213 ( -3.605 -3.312 0.849) 4.968 22.232 ( 10.176 -4.478 -7.886) 13.630 22.309 ( 8.422 -4.359 -7.160) 11.883 22.834 ( 4.196 -0.017 -4.328) 6.028 22.955 ( 5.162 -3.070 -2.776) 6.617 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 5.675 31.261 0.747) 31.781 2.420 ( -13.229 24.436 -1.836) 27.848 3.468 ( -2.028 -3.941 1.906) 4.825 3.593 ( 2.942 -12.416 -3.919) 13.348 3.816 ( -3.609 4.190 -2.506) 6.071 3.963 ( -3.507 0.694 0.224) 3.582 4.037 ( 5.057 -7.442 -1.599) 9.138 4.254 ( 1.368 10.286 2.482) 10.669 4.420 ( -10.171 11.885 1.078) 15.680 4.545 ( 1.178 3.329 3.797) 5.186 4.730 ( -8.761 12.861 3.269) 15.901 4.921 ( 0.986 -0.446 -5.878) 5.977 5.032 ( -5.987 -8.875 -1.364) 10.792 5.118 ( 1.577 -4.995 1.625) 5.484 5.435 ( 1.381 4.926 2.963) 5.912 5.510 ( -6.766 -2.852 -3.734) 8.237 5.757 ( -3.537 0.722 -11.727) 12.270 5.962 ( -0.690 -4.797 0.003) 4.846 6.030 ( 14.531 3.828 -2.490) 15.232 6.102 ( 1.826 3.418 -2.457) 4.588 6.400 ( 13.441 -9.176 4.097) 16.782 6.416 ( 8.110 -5.863 5.320) 11.333 6.755 ( -5.025 2.135 5.794) 7.961 6.889 ( 7.734 0.404 -1.075) 7.819 6.944 ( 2.403 -1.429 5.761) 6.404 7.080 ( 2.698 -2.921 -1.733) 4.338 7.530 ( 12.371 0.152 2.452) 12.613 7.885 ( -5.873 7.415 -7.457) 12.045 8.081 ( -6.444 8.348 -1.863) 10.709 8.321 ( 2.685 -2.726 -1.559) 4.132 8.596 ( -5.495 0.060 1.682) 5.747 8.732 ( 0.784 7.918 4.637) 9.210 8.766 ( -3.124 1.277 -1.437) 3.668 9.228 ( 0.687 -7.633 0.065) 7.664 9.797 ( -4.692 1.901 -1.789) 5.369 9.904 ( -2.274 -5.431 2.632) 6.449 10.469 ( 3.867 3.503 -0.161) 5.220 10.571 ( -3.853 -2.757 1.372) 4.932 11.051 ( -0.207 5.781 0.201) 5.788 11.301 ( 8.366 -2.179 -2.465) 8.990 11.651 ( 0.586 9.146 -1.497) 9.287 11.825 ( 2.022 7.579 1.234) 7.940 12.240 ( 0.117 -4.496 1.026) 4.613 12.347 ( -0.999 -7.748 2.668) 8.256 12.715 ( -20.780 -4.514 -0.380) 21.268 12.742 ( -7.847 -3.871 -2.122) 9.004 13.467 ( -10.421 1.217 0.578) 10.508 13.673 ( -2.324 -5.387 1.032) 5.957 17.230 ( 4.100 11.659 -0.873) 12.390 18.303 ( 11.082 -13.080 -0.737) 17.159 18.365 ( -18.368 27.054 -0.717) 32.708 18.568 ( -11.783 19.963 -0.148) 23.181 19.762 ( -3.714 -12.528 0.955) 13.102 19.911 ( 1.100 0.396 1.854) 2.191 19.945 ( 0.351 -1.275 3.443) 3.689 20.102 ( -8.696 -12.442 -0.880) 15.205 22.304 ( 4.741 3.068 -1.330) 5.802 22.459 ( 14.599 -3.972 -1.662) 15.221 22.882 ( 4.619 3.531 -0.290) 5.821 23.028 ( 5.947 -0.860 -0.151) 6.010 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -7.447 27.936 13.724) 32.004 2.385 ( 10.899 33.010 4.826) 35.096 3.403 ( -3.093 3.370 -3.202) 5.583 3.618 ( -5.933 -1.682 3.084) 6.894 3.664 ( -6.343 -0.191 -0.861) 6.404 3.876 ( -0.899 -1.943 -3.979) 4.519 4.091 ( -5.538 5.516 0.011) 7.816 4.181 ( 2.527 18.369 2.641) 18.729 4.468 ( 5.339 4.640 -3.243) 7.782 4.620 ( -1.249 -4.120 0.221) 4.311 4.688 ( 1.656 1.100 8.002) 8.245 4.856 ( -1.660 -3.126 -6.909) 7.763 4.965 ( 1.585 0.012 0.752) 1.754 5.142 ( -5.655 -4.624 4.376) 8.515 5.283 ( -1.589 -11.555 -0.805) 11.691 5.461 ( -1.970 1.432 -11.145) 11.408 5.714 ( 2.137 2.449 7.447) 8.125 5.873 ( -7.119 -4.005 0.005) 8.168 6.091 ( 6.051 2.660 -1.432) 6.764 6.289 ( 10.027 3.071 -0.663) 10.507 6.557 ( 9.610 5.217 0.262) 10.938 6.711 ( 5.638 -1.543 7.624) 9.607 6.738 ( -4.746 3.397 4.159) 7.166 6.876 ( -1.710 0.275 -5.577) 5.840 7.097 ( 5.168 -2.408 6.999) 9.027 7.194 ( 6.122 -11.135 5.247) 13.748 7.588 ( -11.365 13.758 -7.980) 19.548 7.803 ( 14.521 0.307 0.772) 14.545 8.018 ( -1.141 7.276 -0.238) 7.369 8.177 ( -11.247 -3.138 -5.352) 12.844 8.639 ( 4.661 -5.427 0.295) 7.160 8.690 ( -1.938 4.303 -4.370) 6.432 8.760 ( -2.849 6.737 3.631) 8.167 9.216 ( -2.091 -5.922 0.660) 6.315 9.727 ( -2.451 2.037 0.343) 3.206 9.929 ( -0.634 -8.697 4.993) 10.049 10.500 ( -1.486 -1.731 -1.184) 2.571 10.541 ( 1.742 -2.008 1.641) 3.124 11.106 ( 9.907 7.041 -7.148) 14.101 11.433 ( 9.372 -2.761 -4.644) 10.818 11.652 ( 1.814 9.047 -2.167) 9.478 11.857 ( -1.422 5.260 5.439) 7.699 12.217 ( -3.161 -7.372 0.096) 8.022 12.294 ( -22.433 1.010 -1.569) 22.511 12.371 ( -2.114 -8.015 4.909) 9.633 12.629 ( -3.746 -5.842 -2.104) 7.252 13.308 ( -6.497 2.299 -2.564) 7.354 13.626 ( -1.259 -7.066 -4.439) 8.439 17.339 ( 5.101 14.049 5.310) 15.861 18.100 ( -12.494 27.978 0.792) 30.652 18.285 ( -7.198 27.163 -0.406) 28.104 18.596 ( 9.050 -22.580 0.727) 24.337 19.691 ( -4.875 -16.206 0.679) 16.937 19.878 ( 0.763 -0.108 -10.300) 10.329 19.920 ( -1.817 -3.454 -5.924) 7.094 19.947 ( -4.800 -14.569 -4.019) 15.858 22.378 ( 2.476 6.270 3.796) 7.737 22.673 ( 8.190 -4.339 2.978) 9.735 22.971 ( 2.713 5.940 4.400) 7.875 23.154 ( 5.909 0.407 3.719) 6.994 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 0.085 22.442 18.021) 28.782 3.058 ( -1.416 19.700 1.202) 19.788 3.383 ( -4.272 -10.812 4.374) 12.421 3.428 ( 0.051 -15.050 2.764) 15.301 3.565 ( 7.492 7.043 -1.137) 10.345 3.763 ( 5.962 -8.731 -1.672) 10.704 4.113 ( -3.800 5.762 -2.020) 7.191 4.291 ( -4.407 -11.317 -3.630) 12.676 4.440 ( -2.280 5.125 -14.541) 15.585 4.496 ( -2.318 -0.700 -14.938) 15.133 4.823 ( -3.564 10.769 6.003) 12.834 4.878 ( -4.382 2.825 -2.325) 5.708 5.010 ( -0.360 2.571 7.113) 7.572 5.138 ( 0.372 -8.731 12.996) 15.661 5.362 ( 12.564 5.486 8.975) 16.386 5.421 ( 12.023 2.208 1.814) 12.358 5.770 ( -3.908 1.019 4.028) 5.704 5.828 ( 1.004 -3.987 7.855) 8.866 6.297 ( 7.792 4.273 -0.099) 8.887 6.349 ( -1.384 0.820 -0.357) 1.648 6.684 ( -9.143 -0.344 -7.203) 11.645 6.722 ( -4.903 -3.307 -3.264) 6.755 6.779 ( -5.593 4.954 4.746) 8.851 6.853 ( -0.562 -2.364 8.096) 8.453 7.140 ( -0.580 2.595 6.875) 7.371 7.228 ( -1.632 -4.356 8.497) 9.687 7.629 ( 4.242 9.909 -10.882) 15.316 7.807 ( 1.540 -6.917 -10.044) 12.293 8.018 ( 5.185 -0.580 -1.256) 5.367 8.061 ( 0.889 -2.811 -1.370) 3.251 8.642 ( -1.523 3.683 -4.416) 5.948 8.686 ( 0.389 0.799 -4.681) 4.765 8.859 ( -1.558 6.370 3.271) 7.329 9.033 ( -0.320 -9.778 1.769) 9.942 9.783 ( -0.955 3.586 5.279) 6.453 9.861 ( -1.638 -4.261 7.729) 8.976 10.461 ( -0.199 1.303 1.146) 1.746 10.517 ( 0.154 -3.998 2.967) 4.981 11.285 ( 3.618 7.363 -14.318) 16.502 11.378 ( -0.446 -2.136 -7.396) 7.711 11.741 ( -1.153 5.059 -5.929) 7.879 11.860 ( 0.576 -7.207 -1.759) 7.441 12.107 ( -5.486 4.895 9.818) 12.266 12.219 ( -0.149 -3.191 5.485) 6.347 12.300 ( 2.617 1.825 2.690) 4.173 12.426 ( 2.260 -7.351 -3.412) 8.413 13.273 ( -0.108 4.520 -7.059) 8.382 13.386 ( -0.205 -6.540 -8.632) 10.831 17.820 ( 0.400 18.490 9.264) 20.685 18.233 ( 0.904 -22.128 6.295) 23.023 18.573 ( -0.220 26.010 1.540) 26.057 18.748 ( -0.761 19.396 -0.875) 19.431 19.276 ( -0.126 -15.258 1.145) 15.301 19.446 ( -0.771 -21.540 -1.311) 21.594 19.716 ( 0.105 1.340 -19.481) 19.527 19.748 ( 0.500 -1.876 -17.764) 17.870 22.595 ( 0.363 5.466 6.437) 8.452 22.696 ( 0.359 -4.596 5.198) 6.947 23.181 ( -0.367 4.753 6.916) 8.400 23.250 ( -0.308 -2.075 6.266) 6.608 ======================= Grid point 144 (76/170) ======================= q-point: ( 0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -7.996 17.711 3.950) 19.829 3.183 ( -0.632 10.159 10.189) 14.402 3.289 ( -1.035 1.521 4.759) 5.102 3.583 ( 1.512 -13.426 10.247) 16.957 3.767 ( 12.284 6.184 2.242) 13.934 3.918 ( 9.995 -3.376 0.923) 10.590 4.022 ( -1.927 -0.263 -1.736) 2.607 4.138 ( -4.627 -10.331 -5.784) 12.712 4.242 ( 0.321 2.299 -12.557) 12.769 4.307 ( 2.153 -1.982 -14.786) 15.072 4.763 ( -2.735 3.699 -1.451) 4.824 4.834 ( -1.884 -2.260 0.732) 3.032 5.142 ( -0.998 6.328 10.153) 12.005 5.250 ( -1.098 -2.555 6.349) 6.932 5.561 ( -4.370 6.418 3.307) 8.439 5.665 ( 0.091 -2.038 -0.440) 2.087 5.864 ( 11.216 11.267 16.245) 22.730 6.036 ( 10.286 -4.937 11.469) 16.178 6.172 ( -11.521 7.431 -3.199) 14.078 6.327 ( -9.065 -6.641 0.608) 11.254 6.468 ( 1.589 5.673 -4.629) 7.492 6.657 ( 0.594 -8.015 -3.645) 8.825 6.676 ( -12.213 6.847 5.487) 15.038 6.849 ( -9.677 -7.178 6.181) 13.542 7.119 ( -7.146 4.701 3.529) 9.252 7.206 ( -6.935 -2.826 4.558) 8.766 7.578 ( 0.305 9.325 -8.645) 12.719 7.794 ( 5.659 -10.060 -9.939) 15.232 8.086 ( 8.507 2.405 -1.317) 8.938 8.165 ( 11.107 -5.336 -1.548) 12.419 8.533 ( -3.191 6.346 -3.795) 8.053 8.625 ( -0.205 -1.224 -5.078) 5.228 8.912 ( 0.891 5.957 4.908) 7.770 9.063 ( 1.039 -8.021 1.055) 8.157 9.852 ( 0.499 4.499 6.854) 8.214 9.940 ( -0.389 -4.179 8.495) 9.475 10.479 ( 0.139 2.438 -0.048) 2.443 10.547 ( -1.893 -4.030 2.333) 5.027 11.087 ( -2.475 9.243 -11.984) 15.336 11.235 ( -2.917 -5.529 -9.037) 10.988 11.721 ( 4.040 7.950 -2.554) 9.277 11.892 ( 3.888 -8.218 -3.949) 9.912 12.070 ( -4.060 6.223 1.676) 7.617 12.222 ( -4.217 -7.826 -0.080) 8.890 12.501 ( 12.417 1.542 6.546) 14.121 12.565 ( 10.697 -4.580 5.247) 12.765 13.213 ( 5.009 2.660 -9.799) 11.322 13.290 ( 3.552 -4.913 -11.635) 13.120 17.895 ( -6.813 16.722 13.854) 22.759 18.264 ( -7.821 -19.637 10.256) 23.494 18.693 ( 10.745 24.120 1.351) 26.440 18.796 ( 8.282 20.704 -3.685) 22.601 19.337 ( 2.102 -14.192 -2.553) 14.572 19.397 ( 3.028 -12.560 -9.218) 15.871 19.470 ( 1.591 2.898 -22.301) 22.544 19.612 ( 7.807 -12.961 -9.603) 17.921 22.646 ( -3.997 4.041 7.019) 9.032 22.719 ( -5.041 -3.259 5.337) 8.032 23.220 ( -5.216 3.687 7.551) 9.891 23.270 ( -6.099 -1.274 6.522) 9.019 ======================= Grid point 145 (77/170) ======================= q-point: ( 0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -3.759 15.461 10.517) 19.073 3.191 ( -2.217 -6.524 5.052) 8.544 3.454 ( 3.106 11.053 10.259) 15.397 3.670 ( 0.875 -6.286 0.457) 6.363 3.850 ( 2.005 12.196 -8.819) 15.183 3.927 ( -0.035 0.254 -2.918) 2.929 4.034 ( -1.923 -7.116 1.684) 7.561 4.111 ( 3.313 -9.272 -11.951) 15.485 4.257 ( 13.312 0.435 2.930) 13.637 4.330 ( 8.271 -5.544 2.821) 10.350 4.710 ( -2.204 3.057 -0.851) 3.864 4.809 ( -3.230 -6.054 0.332) 6.870 5.115 ( -7.777 12.009 -5.997) 15.513 5.251 ( -4.666 1.989 3.955) 6.432 5.415 ( -6.311 -4.419 -1.908) 7.937 5.459 ( -14.113 -5.683 -4.737) 15.935 5.962 ( -8.098 10.311 1.230) 13.168 6.110 ( -7.630 -4.048 1.150) 8.713 6.218 ( 2.956 12.398 10.345) 16.415 6.437 ( -3.644 -4.463 -0.531) 5.786 6.486 ( -10.238 4.483 6.361) 12.860 6.607 ( 10.684 5.910 7.173) 14.161 6.612 ( -3.538 -6.770 6.241) 9.865 6.813 ( 1.240 -9.937 9.117) 13.542 7.005 ( -6.470 6.738 -0.174) 9.343 7.123 ( -4.238 -3.990 -1.314) 5.967 7.520 ( 2.406 7.273 -3.176) 8.293 7.718 ( 1.554 -11.025 -9.512) 14.644 8.267 ( 10.535 2.771 -1.315) 10.972 8.280 ( 6.318 0.230 -2.373) 6.753 8.506 ( 3.500 5.146 -1.339) 6.366 8.586 ( 2.146 -0.305 -3.775) 4.353 8.971 ( -1.447 2.724 5.081) 5.944 9.069 ( -1.096 -5.940 -0.459) 6.058 9.960 ( 1.823 4.661 8.065) 9.492 10.047 ( 1.272 -3.694 8.359) 9.227 10.417 ( -4.297 3.228 -4.813) 7.214 10.475 ( -6.241 -2.408 -2.017) 6.987 11.006 ( 4.821 7.366 -6.701) 11.064 11.134 ( 1.851 -5.057 -6.868) 8.727 11.771 ( 3.311 6.363 -0.482) 7.189 11.859 ( -0.751 -0.126 -3.889) 3.963 12.070 ( 1.111 -0.727 1.888) 2.308 12.151 ( -1.518 -6.382 -2.127) 6.897 12.781 ( 10.729 0.443 7.165) 12.909 12.821 ( 10.182 -3.420 6.787) 12.706 13.207 ( 8.712 1.054 -11.137) 14.178 13.250 ( 8.249 -3.146 -11.519) 14.513 17.956 ( -7.306 13.697 17.726) 23.562 18.253 ( -9.768 -15.669 14.162) 23.270 18.758 ( 3.062 16.241 -15.707) 22.800 18.914 ( 7.327 6.445 -11.858) 15.356 19.171 ( 5.085 9.014 -7.324) 12.678 19.346 ( 10.650 11.716 -12.143) 19.953 19.548 ( 10.940 -15.705 2.445) 19.295 19.727 ( 12.228 -18.416 -3.787) 22.428 22.620 ( -7.765 1.867 5.264) 9.565 22.657 ( -8.599 -1.817 4.117) 9.705 23.186 ( -8.372 1.777 6.218) 10.578 23.210 ( -8.946 -0.617 5.166) 10.349 ======================= Grid point 146 (78/170) ======================= q-point: ( 0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 2.148 10.119 16.287) 19.294 3.264 ( -0.634 -5.100 10.874) 12.027 3.577 ( -0.066 4.550 -0.254) 4.558 3.616 ( 1.071 5.818 -5.872) 8.335 3.781 ( 3.073 4.849 -9.538) 11.132 3.891 ( 1.392 4.677 -6.343) 8.003 3.994 ( 2.967 -8.635 -12.614) 15.572 4.056 ( 0.612 -9.429 1.164) 9.520 4.455 ( -2.404 0.325 7.021) 7.428 4.485 ( 4.449 -2.292 5.588) 7.502 4.667 ( -2.909 -0.586 1.255) 3.222 4.717 ( -6.023 -4.441 3.149) 8.118 4.902 ( -4.914 12.022 -6.057) 14.331 5.148 ( -9.668 -7.009 -3.587) 12.468 5.257 ( -1.243 -0.393 -2.424) 2.752 5.385 ( -4.060 -8.996 3.994) 10.648 5.830 ( -8.082 8.047 -1.632) 11.521 5.954 ( -9.348 -3.421 -2.842) 10.352 6.203 ( -8.511 4.015 -2.191) 9.662 6.271 ( -9.926 -1.580 0.097) 10.051 6.370 ( -6.699 7.527 2.999) 10.513 6.542 ( -2.567 -8.301 4.807) 9.930 6.769 ( -4.665 7.587 -2.670) 9.298 6.902 ( -2.087 -4.756 -0.246) 5.199 7.144 ( 10.020 3.937 12.394) 16.416 7.223 ( 11.179 -2.575 7.482) 13.695 7.575 ( 5.842 2.989 0.506) 6.582 7.663 ( 4.295 -5.105 -7.398) 9.962 8.315 ( 2.152 8.740 2.169) 9.259 8.450 ( 9.144 -3.858 1.371) 10.019 8.526 ( 2.539 7.190 -5.001) 9.119 8.619 ( 6.175 -1.164 -4.236) 7.579 8.973 ( -4.447 -0.450 3.260) 5.532 9.018 ( -3.611 -4.077 -0.569) 5.476 10.083 ( 1.732 4.370 5.702) 7.390 10.169 ( 1.811 -3.767 6.049) 7.352 10.268 ( -4.328 4.457 -4.833) 7.871 10.343 ( -5.666 -2.923 -0.296) 6.382 11.018 ( 4.065 4.627 -5.629) 8.344 11.091 ( 1.358 -2.479 -6.122) 6.743 11.808 ( 1.676 4.384 0.294) 4.703 11.842 ( 2.166 1.578 -0.627) 2.752 12.113 ( 1.095 -1.743 0.096) 2.061 12.139 ( 1.665 -3.787 0.803) 4.214 13.023 ( 7.740 0.188 7.101) 10.506 13.043 ( 7.458 -1.626 5.522) 9.421 13.248 ( 9.818 0.420 -7.673) 12.468 13.281 ( 9.422 -2.570 -9.211) 13.425 18.075 ( -4.989 9.311 19.305) 22.006 18.270 ( -7.712 -9.507 10.520) 16.141 18.544 ( -1.202 7.083 -15.385) 16.980 18.673 ( -3.759 -5.434 -20.461) 21.502 19.411 ( 16.592 19.069 3.272) 25.488 19.495 ( 16.026 19.685 -4.435) 25.768 19.768 ( 10.498 -13.286 3.409) 17.273 19.883 ( 10.833 -15.426 -3.503) 19.173 22.514 ( -9.328 0.501 1.976) 9.548 22.543 ( -9.095 -2.127 1.882) 9.528 23.090 ( -9.403 -0.081 2.965) 9.860 23.101 ( -9.300 -1.167 2.647) 9.739 ======================= Grid point 147 (79/170) ======================= q-point: ( 0.36 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 2.579 9.312 -2.734) 10.042 3.383 ( 2.366 2.177 3.932) 5.079 3.448 ( -1.345 2.691 9.995) 10.438 3.611 ( -3.345 -8.021 -5.207) 10.131 3.705 ( 0.528 0.390 -8.355) 8.381 3.774 ( 2.801 -0.907 -8.349) 8.853 3.997 ( 4.901 3.117 -1.341) 5.961 4.088 ( 3.172 -3.636 -0.909) 4.910 4.469 ( -1.179 1.714 3.604) 4.161 4.526 ( -1.722 -4.038 1.652) 4.691 4.705 ( -1.684 -0.156 0.662) 1.816 4.735 ( 0.510 1.627 11.716) 11.840 4.805 ( -4.370 0.185 -2.281) 4.934 4.920 ( -11.835 -4.359 3.131) 12.996 5.172 ( -5.834 -2.705 -4.333) 7.754 5.279 ( -13.119 -10.869 -0.314) 17.040 5.701 ( -3.890 4.616 -1.472) 6.213 5.791 ( -4.774 -3.697 -1.337) 6.184 6.039 ( -3.226 4.606 -6.094) 8.292 6.129 ( -4.974 -3.803 -1.823) 6.521 6.384 ( 1.408 11.852 4.849) 12.883 6.590 ( 0.948 -6.211 3.495) 7.190 6.695 ( -1.864 4.897 0.156) 5.242 6.833 ( -2.102 -6.182 -2.097) 6.858 7.318 ( 3.604 6.264 -0.337) 7.234 7.418 ( 5.759 -3.440 -1.892) 6.970 7.687 ( 4.144 0.685 0.147) 4.203 7.701 ( 5.853 -0.159 -3.483) 6.813 8.412 ( 2.493 12.468 5.215) 13.743 8.483 ( -0.777 7.953 -1.179) 8.077 8.633 ( 8.767 -4.107 2.041) 9.894 8.653 ( 5.922 -3.570 -6.570) 9.539 8.896 ( -4.849 0.567 -1.233) 5.035 8.961 ( -4.678 -5.262 2.769) 7.565 10.098 ( -1.862 1.420 -2.202) 3.214 10.113 ( -1.172 0.321 -4.646) 4.803 10.312 ( 0.137 1.304 7.736) 7.846 10.336 ( -2.033 -1.011 7.730) 8.056 11.014 ( 2.061 2.589 -2.474) 4.132 11.054 ( 1.276 -1.433 -2.225) 2.938 11.852 ( 3.121 3.819 -0.635) 4.973 11.873 ( 2.043 1.893 -1.471) 3.150 12.122 ( 0.456 1.333 0.440) 1.476 12.190 ( 1.037 -4.766 2.699) 5.575 13.151 ( 5.180 1.466 -3.845) 6.616 13.185 ( 4.433 -1.652 -1.162) 4.871 13.362 ( 7.334 0.042 2.743) 7.830 13.381 ( 6.742 -1.632 4.596) 8.321 18.109 ( -2.446 1.445 -17.300) 17.532 18.132 ( -4.271 -0.648 -7.472) 8.631 18.504 ( -1.609 1.320 8.990) 9.227 18.547 ( -3.558 -2.837 19.649) 20.169 19.667 ( 14.227 17.151 -4.520) 22.737 19.760 ( 14.458 16.259 4.495) 22.217 19.934 ( 6.399 -8.385 -2.436) 10.825 20.008 ( 5.901 -7.245 2.401) 9.647 22.375 ( -7.020 -1.117 -1.966) 7.375 22.399 ( -7.586 -3.295 -2.214) 8.562 22.956 ( -7.389 -1.316 -0.830) 7.551 22.971 ( -7.473 -2.707 -0.267) 7.952 ======================= Grid point 148 (80/170) ======================= q-point: ( 0.45 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -1.740 7.432 -16.949) 18.589 3.285 ( -7.654 -6.703 -16.570) 19.444 3.555 ( 3.567 5.776 -0.437) 6.802 3.669 ( 2.059 -5.418 4.792) 7.520 3.754 ( 6.298 0.995 10.871) 12.603 3.809 ( 3.926 -1.560 3.501) 5.486 4.077 ( 6.530 5.261 -0.667) 8.412 4.159 ( 3.870 -2.121 3.977) 5.941 4.438 ( -5.026 4.331 -5.148) 8.398 4.516 ( -1.388 -1.752 -0.521) 2.296 4.600 ( -3.649 -3.605 -3.305) 6.102 4.661 ( -7.528 -7.598 0.532) 10.709 4.818 ( -6.317 -4.373 0.749) 7.719 4.847 ( -10.507 -6.259 3.807) 12.809 5.120 ( 3.995 0.692 8.982) 9.854 5.155 ( 0.741 -2.901 8.868) 9.360 5.651 ( -0.635 3.987 -1.807) 4.423 5.736 ( -1.849 -3.373 -0.196) 3.851 5.956 ( 1.076 5.679 -5.636) 8.073 6.069 ( 0.750 -5.014 -2.449) 5.630 6.458 ( -0.338 11.252 3.422) 11.765 6.649 ( 2.566 1.453 1.554) 3.334 6.682 ( -3.089 -3.462 3.117) 5.589 6.806 ( 0.051 -6.310 0.394) 6.322 7.324 ( 1.155 7.119 -5.269) 8.932 7.427 ( 3.771 -2.486 -8.073) 9.251 7.661 ( -1.743 0.336 -8.389) 8.575 7.670 ( 1.622 0.111 -11.996) 12.106 8.397 ( -2.250 11.106 -1.250) 11.400 8.537 ( -1.334 0.892 3.675) 4.010 8.686 ( 5.998 2.207 -2.848) 6.997 8.753 ( 1.219 -0.816 1.072) 1.817 8.845 ( -0.109 1.298 1.548) 2.023 8.943 ( -1.310 -6.920 3.815) 8.010 10.058 ( 0.725 1.637 -0.621) 1.895 10.094 ( 0.962 -1.698 -0.392) 1.990 10.348 ( -4.201 2.648 5.333) 7.287 10.383 ( -2.642 -0.489 5.091) 5.756 11.066 ( 2.990 2.292 4.805) 6.106 11.104 ( 2.763 -1.444 4.802) 5.725 11.855 ( 0.056 3.589 -3.944) 5.333 11.871 ( 1.458 1.820 -4.227) 4.828 12.153 ( 0.682 2.598 3.208) 4.184 12.229 ( -0.527 -4.469 2.990) 5.402 13.141 ( 1.710 1.377 -6.499) 6.860 13.179 ( 0.889 -2.236 -5.602) 6.096 13.536 ( 2.853 0.812 9.899) 10.334 13.553 ( 2.539 -0.812 9.825) 10.181 17.859 ( 0.366 -0.161 -20.110) 20.114 17.882 ( -2.669 -2.438 -19.037) 19.377 18.742 ( 0.433 2.745 26.578) 26.722 18.785 ( -2.242 -1.460 27.422) 27.553 19.804 ( 8.619 11.246 -4.623) 14.904 19.923 ( -1.313 -0.038 -5.365) 5.523 20.022 ( 9.214 9.961 5.165) 14.519 20.106 ( -1.050 2.187 5.073) 5.623 22.241 ( -2.090 -3.640 -7.307) 8.427 22.248 ( -3.461 -4.191 -7.276) 9.082 22.845 ( -2.564 -2.177 -3.086) 4.565 22.860 ( -3.351 -3.479 -2.763) 5.565 ======================= Grid point 149 (81/170) ======================= q-point: (-0.45 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -3.166 1.032 -13.992) 14.383 2.975 ( -2.594 -2.793 -13.586) 14.111 3.524 ( 0.146 9.234 -9.601) 13.322 3.684 ( 3.927 -6.468 -11.154) 13.479 3.918 ( 1.087 6.189 11.443) 13.055 4.055 ( 5.415 -6.300 8.637) 11.984 4.155 ( -5.671 7.331 6.744) 11.463 4.250 ( 5.477 6.819 6.987) 11.195 4.339 ( -7.892 -9.294 0.381) 12.198 4.439 ( 2.168 -6.376 -0.410) 6.747 4.525 ( -2.161 -4.167 -3.347) 5.765 4.541 ( -1.949 -5.376 -2.768) 6.353 4.785 ( 5.839 -1.106 -0.251) 5.948 4.831 ( 6.595 -5.372 1.912) 8.719 5.316 ( 0.611 1.604 9.494) 9.648 5.347 ( 1.675 -1.291 10.090) 10.309 5.658 ( 4.324 2.279 0.330) 4.899 5.732 ( 1.533 -3.845 1.838) 4.529 5.953 ( 4.888 7.409 -1.848) 9.066 6.095 ( 5.056 -6.044 -1.536) 8.029 6.424 ( -6.601 10.214 0.937) 12.197 6.627 ( -8.444 -9.324 0.727) 12.600 6.693 ( 1.974 7.290 -0.009) 7.553 6.830 ( 2.156 -4.940 -0.485) 5.412 7.200 ( -4.586 8.140 -11.590) 14.887 7.336 ( -2.785 -4.408 -11.336) 12.478 7.505 ( 0.699 3.105 -10.528) 10.999 7.560 ( 3.770 -1.618 -11.145) 11.876 8.361 ( -2.803 9.405 2.383) 10.099 8.518 ( -1.288 -5.346 -0.758) 5.551 8.733 ( 2.425 3.537 -0.862) 4.374 8.777 ( 0.956 1.726 0.593) 2.060 8.872 ( -1.495 2.424 3.725) 4.689 8.982 ( -0.027 -5.600 2.485) 6.126 10.072 ( -0.068 1.078 -0.578) 1.225 10.099 ( -0.381 -1.530 -1.519) 2.189 10.347 ( -2.383 3.149 6.092) 7.260 10.391 ( -2.118 -1.049 5.247) 5.755 11.202 ( 2.483 2.404 8.396) 9.079 11.227 ( 1.009 0.060 8.533) 8.592 11.792 ( -0.226 3.450 -5.114) 6.173 11.816 ( -0.048 1.096 -5.900) 6.001 12.205 ( -0.045 1.071 3.989) 4.131 12.237 ( -2.560 -2.060 2.685) 4.244 13.076 ( -1.574 0.370 -4.356) 4.646 13.104 ( -2.269 -2.274 -4.512) 5.538 13.659 ( -2.542 1.124 10.076) 10.452 13.677 ( -1.944 -0.583 9.794) 10.002 17.625 ( -0.845 1.925 -16.592) 16.725 17.699 ( 5.249 -5.291 -16.718) 18.304 19.069 ( -1.136 2.651 27.962) 28.110 19.099 ( 0.476 -0.386 28.194) 28.200 19.779 ( -8.397 9.164 -4.323) 13.160 19.847 ( 1.819 2.866 -3.029) 4.550 20.061 ( -10.070 10.961 3.915) 15.391 20.175 ( 1.142 1.067 4.536) 4.798 22.126 ( 3.072 -3.505 -11.909) 12.789 22.154 ( 5.206 -5.776 -11.231) 13.660 22.801 ( 1.338 -2.421 -4.362) 5.165 22.805 ( 2.620 -2.813 -3.972) 5.528 ======================= Grid point 150 (82/170) ======================= q-point: (-0.36 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -2.477 10.773 -9.766) 14.751 2.930 ( 6.676 -10.418 -4.687) 13.231 3.350 ( -4.004 11.790 -13.255) 18.186 3.574 ( 1.321 -9.955 -14.054) 17.273 3.963 ( -6.629 2.456 0.771) 7.111 3.998 ( -3.560 1.559 2.416) 4.576 4.186 ( -8.718 4.406 3.016) 10.224 4.325 ( -1.425 3.134 -2.279) 4.129 4.380 ( 2.028 -5.308 8.349) 10.100 4.481 ( 1.443 -3.792 5.540) 6.867 4.607 ( 7.472 -0.784 6.350) 9.837 4.647 ( 13.931 -6.262 10.709) 18.654 4.957 ( 9.657 -0.270 0.151) 9.662 5.039 ( 15.924 -8.182 -4.436) 18.445 5.331 ( -5.109 4.744 3.733) 7.908 5.411 ( -0.665 -3.360 6.943) 7.742 5.773 ( 7.853 2.825 -2.601) 8.742 5.817 ( 3.879 -1.737 2.965) 5.182 6.078 ( 3.263 5.543 5.593) 8.524 6.168 ( 2.540 -1.177 -1.785) 3.320 6.291 ( -6.820 2.597 -2.376) 7.675 6.402 ( -7.981 -5.456 -10.552) 14.311 6.729 ( 1.771 4.256 0.228) 4.615 6.810 ( -1.770 -2.176 -5.399) 6.084 6.979 ( -5.198 8.911 -5.605) 11.741 7.149 ( -3.804 -6.426 -6.491) 9.894 7.439 ( 2.924 5.097 -7.159) 9.262 7.555 ( 8.399 -6.031 -7.554) 12.806 8.359 ( -1.953 7.804 3.872) 8.928 8.489 ( -1.659 -4.517 -0.305) 4.821 8.760 ( -0.943 2.882 1.828) 3.541 8.793 ( 2.011 3.837 -1.181) 4.490 8.863 ( -4.602 2.353 3.179) 6.068 8.993 ( 0.570 -6.676 -0.287) 6.706 10.021 ( -4.401 0.678 -0.770) 4.519 10.034 ( -3.956 -0.526 -2.443) 4.679 10.411 ( 0.922 2.847 5.339) 6.120 10.455 ( 1.418 -1.639 5.519) 5.930 11.279 ( -4.032 2.608 4.134) 6.336 11.294 ( -3.048 1.346 5.161) 6.143 11.766 ( 3.463 2.725 -3.278) 5.492 11.777 ( 3.023 1.641 -2.399) 4.194 12.209 ( -4.261 0.385 2.857) 5.145 12.234 ( -1.959 -1.802 3.303) 4.243 12.981 ( -5.188 0.027 -2.406) 5.719 13.014 ( -4.264 -3.259 -1.656) 5.617 13.687 ( -6.784 1.156 8.177) 10.687 13.708 ( -6.429 -0.851 7.524) 9.933 17.471 ( 2.836 7.175 -12.123) 14.370 17.655 ( 9.178 -10.941 -11.348) 18.240 19.314 ( -6.197 9.270 18.665) 21.742 19.423 ( 0.544 -2.635 23.096) 23.252 19.570 ( -12.470 16.238 2.016) 20.573 19.801 ( -4.879 -6.636 -0.156) 8.238 19.891 ( -12.249 14.587 3.075) 19.295 20.162 ( -7.822 -9.012 2.850) 12.269 22.095 ( 11.221 -0.621 -13.003) 17.187 22.158 ( 10.695 -5.723 -11.063) 16.418 22.800 ( 4.998 -0.251 -4.884) 6.993 22.831 ( 5.783 -3.057 -4.093) 7.716 ======================= Grid point 151 (83/170) ======================= q-point: (-0.27 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 4.874 21.971 -2.406) 22.634 3.047 ( 5.453 -7.077 0.236) 8.937 3.120 ( -2.726 6.516 -9.264) 11.650 3.418 ( -0.832 -13.726 -12.052) 18.285 3.922 ( -0.459 0.182 1.384) 1.470 3.953 ( -0.847 -2.817 -0.172) 2.946 4.047 ( -8.562 6.701 -1.291) 10.949 4.209 ( -4.920 -6.841 -3.320) 9.057 4.543 ( 3.810 6.740 6.109) 9.862 4.588 ( -0.801 2.347 12.996) 13.230 4.812 ( 3.567 5.188 8.813) 10.831 4.977 ( 2.805 -0.509 -2.964) 4.112 5.072 ( 8.981 -5.491 -3.340) 11.044 5.097 ( 3.484 -11.046 0.772) 11.608 5.384 ( 2.917 9.684 8.229) 13.038 5.566 ( 6.777 -10.366 6.447) 13.962 5.828 ( -4.473 6.846 -8.429) 11.744 5.908 ( 12.981 3.430 -5.979) 14.698 5.974 ( -6.382 2.970 -4.211) 8.202 6.072 ( 0.193 -0.401 -8.018) 8.030 6.201 ( 0.383 -0.839 -1.834) 2.053 6.281 ( -0.434 -6.689 -6.888) 9.611 6.750 ( 1.172 1.365 4.665) 5.000 6.778 ( -1.509 -1.247 4.433) 4.846 6.927 ( 1.373 7.239 -0.659) 7.397 7.063 ( -1.669 -5.202 -2.573) 6.039 7.455 ( 7.852 8.095 -3.679) 11.863 7.660 ( 11.568 -11.419 -3.420) 16.611 8.371 ( -1.390 5.808 1.815) 6.242 8.429 ( -5.803 0.960 -1.077) 5.980 8.722 ( -5.717 2.187 2.637) 6.665 8.782 ( -6.866 -2.987 2.116) 7.781 8.841 ( 2.981 8.676 -0.144) 9.175 9.016 ( 2.999 -8.514 -1.131) 9.097 9.928 ( -5.341 0.320 -1.297) 5.506 9.931 ( -5.854 0.133 0.194) 5.859 10.481 ( 1.347 2.860 2.695) 4.154 10.530 ( 0.478 -2.217 3.231) 3.947 11.205 ( -5.565 3.559 0.024) 6.606 11.250 ( -2.991 -0.859 -0.961) 3.257 11.812 ( 4.401 5.831 -1.725) 7.506 11.854 ( 5.362 2.022 0.980) 5.814 12.177 ( -3.672 -0.319 3.640) 5.180 12.221 ( -3.698 -4.528 2.847) 6.502 12.850 ( -8.120 0.418 -1.120) 8.207 12.894 ( -9.437 -3.899 -0.561) 10.226 13.627 ( -9.325 0.910 4.721) 10.491 13.653 ( -7.784 -1.630 4.561) 9.168 17.438 ( 6.357 12.534 -6.672) 15.557 17.733 ( 11.857 -16.409 -5.959) 21.103 19.184 ( -16.190 21.220 -0.152) 26.692 19.396 ( -19.277 21.924 5.523) 29.711 19.567 ( -5.015 -9.122 3.975) 11.142 19.783 ( -3.963 -7.334 12.987) 15.433 19.848 ( -1.698 2.524 8.620) 9.141 20.006 ( -10.990 -14.062 -0.037) 17.847 22.197 ( 15.421 0.991 -8.479) 17.627 22.243 ( 12.146 -2.953 -7.345) 14.498 22.852 ( 7.114 1.718 -3.610) 8.160 22.897 ( 7.161 -2.643 -2.986) 8.196 ======================= Grid point 152 (84/170) ======================= q-point: (-0.18 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 9.336 27.338 2.362) 28.984 2.891 ( -6.756 21.864 -3.351) 23.128 3.261 ( 7.973 -18.417 4.305) 20.525 3.290 ( -1.280 -17.314 -5.517) 18.217 3.850 ( -7.650 3.920 -5.061) 9.975 3.927 ( -2.264 -2.490 -3.941) 5.182 4.006 ( 2.963 2.971 4.984) 6.515 4.169 ( 2.528 -11.115 3.243) 11.852 4.625 ( 0.481 6.489 3.173) 7.239 4.745 ( -0.476 9.471 9.729) 13.586 4.793 ( -5.805 -2.746 -1.717) 6.647 4.946 ( 0.759 -1.843 -3.193) 3.764 5.041 ( -1.357 3.072 2.034) 3.926 5.132 ( -11.920 6.884 3.307) 14.156 5.493 ( -7.177 3.547 -17.531) 19.272 5.573 ( 6.709 5.611 5.701) 10.440 5.649 ( -2.185 -7.393 -15.712) 17.502 5.801 ( 0.696 -8.815 0.970) 8.895 6.088 ( 4.166 2.904 -0.854) 5.149 6.163 ( 2.297 -2.714 -0.843) 3.654 6.281 ( 18.780 1.505 7.405) 20.243 6.340 ( 16.842 -3.295 -2.267) 17.311 6.811 ( -4.609 2.958 9.362) 10.846 6.868 ( 2.306 -2.615 7.931) 8.663 6.944 ( 1.116 2.013 -2.074) 3.098 7.005 ( -0.083 -3.750 -3.665) 5.244 7.622 ( 12.941 8.412 0.401) 15.440 7.825 ( 10.053 -9.930 -2.150) 14.293 8.242 ( -11.973 6.977 -3.515) 14.296 8.321 ( -6.323 -0.421 -2.721) 6.897 8.637 ( -5.161 4.348 1.916) 7.015 8.737 ( -1.018 -3.995 0.799) 4.200 8.887 ( 0.648 7.301 1.711) 7.527 9.046 ( 0.976 -8.918 -0.037) 8.971 9.827 ( -5.099 1.255 -0.188) 5.255 9.850 ( -5.225 -1.210 2.142) 5.775 10.509 ( -0.393 1.117 0.669) 1.360 10.531 ( -3.149 -1.311 1.117) 3.590 11.158 ( 2.281 4.716 -1.571) 5.469 11.242 ( 5.326 -3.599 -2.185) 6.789 11.844 ( 1.963 9.249 -1.900) 9.644 11.938 ( 3.607 2.047 -0.602) 4.191 12.165 ( -2.771 -2.825 1.920) 4.398 12.189 ( -4.817 -6.219 4.773) 9.201 12.666 ( -15.806 -0.711 -0.973) 15.852 12.680 ( -10.785 -2.036 -1.527) 11.082 13.503 ( -8.557 2.550 0.701) 8.956 13.573 ( -5.500 -4.342 0.859) 7.060 17.518 ( 8.337 16.706 -1.171) 18.708 17.896 ( 12.279 -20.469 -1.346) 23.907 18.900 ( -16.293 24.827 -0.212) 29.697 19.102 ( -17.784 21.430 0.532) 27.853 19.456 ( -8.893 -13.147 0.594) 15.884 19.719 ( -13.474 -22.114 1.773) 25.956 19.923 ( 0.991 0.709 1.723) 2.110 19.941 ( 0.726 -1.196 0.898) 1.662 22.359 ( 9.567 2.352 -1.505) 9.966 22.402 ( 13.098 -2.147 -1.646) 13.375 22.951 ( 7.250 3.137 -0.175) 7.902 23.002 ( 7.615 -1.857 -0.126) 7.839 ======================= Grid point 153 (85/170) ======================= q-point: (-0.09 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -3.920 23.936 9.087) 25.902 2.975 ( 8.300 24.983 1.804) 26.387 3.273 ( 0.382 -17.854 4.774) 18.485 3.419 ( 5.900 -14.956 2.220) 16.230 3.645 ( -8.241 5.109 -6.059) 11.434 3.800 ( -4.503 -6.165 -4.549) 8.887 4.128 ( 2.144 5.157 3.995) 6.867 4.299 ( 4.270 -11.214 3.061) 12.383 4.595 ( 0.144 6.117 -9.382) 11.201 4.674 ( -2.087 -1.495 -4.571) 5.243 4.776 ( -4.849 11.127 2.876) 12.474 4.967 ( -3.403 11.928 1.477) 12.492 5.002 ( -1.611 -9.072 10.252) 13.784 5.106 ( 1.594 13.767 4.670) 14.624 5.150 ( -7.303 -2.771 -10.863) 13.379 5.405 ( -4.418 -9.229 -8.851) 13.529 5.730 ( 2.192 1.574 6.041) 6.616 5.800 ( -2.423 -3.716 0.859) 4.518 6.158 ( 7.971 4.614 -1.124) 9.279 6.272 ( 8.174 -4.966 -0.078) 9.565 6.643 ( 14.665 2.828 3.510) 15.342 6.679 ( 11.934 -1.216 7.475) 14.134 6.817 ( -5.466 3.940 4.735) 8.235 6.868 ( -4.885 -0.995 -3.011) 5.824 7.026 ( 4.659 -3.913 3.112) 6.834 7.036 ( 5.708 -3.229 7.668) 10.090 7.808 ( -3.549 6.430 -3.963) 8.346 7.834 ( 6.571 2.935 -6.142) 9.461 8.066 ( -1.308 -1.407 -1.365) 2.357 8.099 ( -11.042 -4.070 -5.528) 13.002 8.640 ( 2.571 5.098 -0.088) 5.711 8.727 ( 0.416 -1.409 -2.400) 2.814 8.884 ( -3.381 6.111 1.855) 7.226 9.042 ( -1.936 -9.641 0.992) 9.883 9.769 ( -3.144 2.287 2.567) 4.659 9.821 ( -3.043 -3.163 5.069) 6.706 10.479 ( -3.003 0.095 0.534) 3.052 10.501 ( -1.350 -1.844 1.394) 2.677 11.241 ( 10.836 6.258 -5.397) 13.628 11.355 ( 10.652 -4.935 -4.511) 12.576 11.834 ( 0.574 8.656 -4.976) 10.001 11.935 ( -2.903 0.773 -1.556) 3.383 12.108 ( -6.925 -2.123 3.783) 8.172 12.180 ( -4.786 -7.939 7.935) 12.203 12.384 ( -12.185 5.321 -2.113) 13.463 12.504 ( -6.453 -6.299 -2.377) 9.326 13.375 ( -4.733 4.458 -3.264) 7.275 13.486 ( -2.847 -6.435 -3.909) 8.050 17.671 ( 7.142 18.780 4.049) 20.496 18.089 ( 9.229 -22.378 2.492) 24.335 18.664 ( -11.391 26.059 0.887) 28.454 18.856 ( -10.899 19.671 -0.354) 22.491 19.327 ( -6.688 -14.795 0.784) 16.256 19.531 ( -8.263 -22.397 -0.661) 23.882 19.889 ( 0.652 0.828 -10.157) 10.212 19.907 ( 0.704 -0.932 -9.592) 9.663 22.491 ( 4.822 5.033 3.469) 7.786 22.586 ( 6.838 -4.427 3.193) 8.749 23.078 ( 4.549 4.361 4.085) 7.510 23.141 ( 5.618 -1.836 3.812) 7.033 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 3.656 0.000 31.951) 32.159 1.537 ( 0.599 0.000 32.908) 32.913 2.625 ( -3.461 0.000 -18.267) 18.592 2.717 ( -0.434 0.000 -20.220) 20.225 2.936 ( -1.323 0.000 60.012) 60.027 4.026 ( -5.880 0.000 3.881) 7.045 4.105 ( 6.106 0.000 -7.618) 9.763 4.696 ( -6.320 0.000 4.942) 8.022 4.770 ( 5.294 0.000 -2.334) 5.785 4.988 ( -8.080 0.000 0.846) 8.124 5.068 ( 1.647 0.000 -0.315) 1.677 5.111 ( -2.130 0.000 -4.025) 4.554 5.163 ( 8.794 0.000 -0.000) 8.794 5.332 ( 0.916 0.000 11.536) 11.573 5.376 ( 4.104 0.000 -10.781) 11.536 5.697 ( 7.235 0.000 3.083) 7.865 5.808 ( 2.993 0.000 -0.874) 3.119 5.913 ( -5.276 0.000 1.830) 5.584 6.131 ( 9.940 0.000 7.478) 12.439 6.165 ( -6.263 0.000 8.936) 10.913 6.233 ( -8.970 0.000 -10.470) 13.787 6.415 ( -3.813 0.000 0.113) 3.815 6.624 ( -2.887 0.000 -4.910) 5.696 6.670 ( -7.881 0.000 6.652) 10.313 7.041 ( 4.748 0.000 -9.460) 10.584 7.046 ( 2.100 0.000 8.451) 8.708 7.252 ( 16.929 0.000 -22.237) 27.947 7.502 ( -2.226 0.000 -8.793) 9.070 7.741 ( 2.226 0.000 2.158) 3.100 7.883 ( -8.484 0.000 -7.477) 11.308 8.596 ( -0.507 0.000 3.143) 3.183 8.801 ( -0.671 0.000 -5.036) 5.080 9.005 ( -6.583 0.000 13.029) 14.597 9.310 ( 0.206 0.000 0.996) 1.017 9.578 ( 1.287 0.000 1.513) 1.987 9.666 ( -1.094 0.000 0.886) 1.408 10.736 ( 6.380 0.000 -0.771) 6.426 10.760 ( -4.811 0.000 -1.406) 5.012 10.964 ( -2.537 0.000 2.014) 3.239 11.053 ( 5.197 0.000 -3.078) 6.040 11.504 ( -4.941 0.000 -2.701) 5.631 11.517 ( 4.271 0.000 -2.971) 5.202 12.640 ( 1.968 0.000 -1.043) 2.227 12.669 ( -4.666 0.000 -1.401) 4.872 12.818 ( 4.192 0.000 4.220) 5.948 13.061 ( -1.382 0.000 -5.315) 5.492 13.182 ( 1.305 0.000 4.677) 4.856 13.435 ( -0.830 0.000 -6.442) 6.496 16.979 ( 0.409 0.000 1.542) 1.595 17.053 ( -0.414 0.000 -1.582) 1.636 17.542 ( -1.976 0.000 27.300) 27.371 18.974 ( 2.389 0.000 -34.441) 34.523 19.804 ( -0.134 0.000 0.501) 0.519 19.825 ( 0.236 0.000 -0.344) 0.417 20.269 ( -1.512 0.000 2.269) 2.727 20.372 ( 0.850 0.000 -2.039) 2.209 22.245 ( 0.188 0.000 12.349) 12.350 22.760 ( -0.142 0.000 -9.583) 9.584 22.977 ( -0.122 0.000 7.695) 7.696 23.107 ( -0.139 0.000 1.051) 1.060 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 15.558 0.000 28.226) 32.230 2.065 ( 17.836 0.000 26.841) 32.227 2.424 ( 8.299 0.000 -21.406) 22.958 2.546 ( 11.352 0.000 -23.939) 26.494 3.574 ( 1.387 0.000 36.256) 36.283 4.035 ( -1.817 0.000 18.252) 18.342 4.037 ( -2.811 0.000 -11.225) 11.572 4.611 ( -7.895 0.000 2.290) 8.221 4.670 ( -3.911 0.000 -14.921) 15.425 4.856 ( 0.076 0.000 -6.217) 6.218 4.917 ( -4.575 0.000 -2.594) 5.259 5.111 ( 1.943 0.000 1.729) 2.601 5.295 ( 3.666 0.000 2.175) 4.263 5.309 ( 2.982 0.000 -13.428) 13.755 5.628 ( 0.417 0.000 19.270) 19.275 5.641 ( -18.688 0.000 -6.660) 19.839 5.845 ( 3.433 0.000 -2.509) 4.252 5.887 ( 3.800 0.000 2.863) 4.758 6.078 ( 4.734 0.000 -1.774) 5.055 6.089 ( -12.110 0.000 4.327) 12.860 6.203 ( -7.400 0.000 0.306) 7.406 6.515 ( 12.374 0.000 11.847) 17.131 6.526 ( -5.258 0.000 -1.998) 5.624 6.795 ( 5.349 0.000 9.173) 10.618 6.894 ( -3.435 0.000 -12.446) 12.911 7.187 ( 1.662 0.000 -19.546) 19.616 7.239 ( 7.510 0.000 11.645) 13.857 7.431 ( 14.950 0.000 -17.229) 22.811 7.722 ( -4.918 0.000 -0.872) 4.995 7.818 ( 2.640 0.000 3.714) 4.557 8.622 ( -2.088 0.000 4.025) 4.535 8.675 ( -7.184 0.000 -4.524) 8.489 9.105 ( -0.602 0.000 13.059) 13.073 9.323 ( 2.195 0.000 -2.840) 3.590 9.634 ( 1.755 0.000 3.776) 4.164 9.649 ( 0.305 0.000 -2.557) 2.575 10.640 ( -6.360 0.000 -2.903) 6.991 10.800 ( 0.169 0.000 1.794) 1.802 10.926 ( -3.704 0.000 1.188) 3.890 11.070 ( 1.605 0.000 -3.139) 3.525 11.402 ( -3.526 0.000 -1.744) 3.934 11.529 ( 0.293 0.000 -1.508) 1.536 12.559 ( -6.479 0.000 -1.480) 6.646 12.610 ( -4.384 0.000 0.895) 4.475 12.954 ( 5.241 0.000 5.544) 7.629 13.029 ( 5.154 0.000 -6.952) 8.654 13.312 ( 6.581 0.000 2.991) 7.229 13.371 ( 2.136 0.000 -5.460) 5.863 17.074 ( 8.609 0.000 1.817) 8.798 17.094 ( 7.646 0.000 -1.830) 7.862 17.877 ( 0.695 0.000 31.003) 31.010 18.610 ( 3.401 0.000 -34.939) 35.104 19.769 ( -4.830 0.000 0.375) 4.844 19.783 ( -4.621 0.000 -0.359) 4.635 20.143 ( -15.765 0.000 2.688) 15.992 20.229 ( -13.613 0.000 -1.390) 13.683 22.463 ( 7.053 0.000 12.545) 14.391 22.691 ( 5.374 0.000 -10.918) 12.169 23.069 ( 1.861 0.000 5.448) 5.757 23.133 ( 2.881 0.000 -1.347) 3.180 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 18.563 0.000 -17.697) 25.648 2.530 ( 20.121 0.000 -23.769) 31.142 2.665 ( 19.139 0.000 20.466) 28.021 2.679 ( 21.187 0.000 21.899) 30.471 3.743 ( -2.480 0.000 5.973) 6.467 3.793 ( -3.426 0.000 -15.698) 16.068 4.366 ( -4.689 0.000 23.789) 24.247 4.475 ( -0.295 0.000 -22.723) 22.725 4.530 ( -5.616 0.000 6.176) 8.347 4.639 ( -8.861 0.000 3.509) 9.531 4.979 ( 5.083 0.000 -6.944) 8.606 5.029 ( -11.178 0.000 -8.426) 13.998 5.188 ( -0.570 0.000 -4.136) 4.175 5.223 ( 0.102 0.000 -4.381) 4.383 5.440 ( -3.770 0.000 6.585) 7.587 5.747 ( 0.269 0.000 -2.529) 2.544 5.843 ( -13.332 0.000 2.234) 13.517 5.970 ( 11.052 0.000 3.828) 11.697 5.996 ( -4.052 0.000 10.985) 11.709 6.162 ( 0.201 0.000 0.997) 1.017 6.175 ( 4.929 0.000 0.525) 4.957 6.368 ( -9.105 0.000 -3.584) 9.785 6.715 ( 1.747 0.000 -14.055) 14.163 6.865 ( 3.393 0.000 3.072) 4.577 6.912 ( 5.129 0.000 13.965) 14.877 6.957 ( -4.947 0.000 -10.501) 11.608 7.536 ( 16.620 0.000 -13.481) 21.400 7.570 ( 12.967 0.000 9.684) 16.184 7.688 ( 0.264 0.000 1.589) 1.611 7.935 ( 5.162 0.000 7.952) 9.481 8.466 ( -13.159 0.000 -1.786) 13.279 8.578 ( -6.910 0.000 0.226) 6.914 9.263 ( 2.146 0.000 10.716) 10.928 9.307 ( 1.720 0.000 -5.514) 5.776 9.622 ( 2.113 0.000 -5.104) 5.524 9.719 ( 2.694 0.000 3.978) 4.804 10.485 ( -7.748 0.000 -2.983) 8.303 10.767 ( -7.701 0.000 3.424) 8.428 10.890 ( -1.833 0.000 1.059) 2.117 11.063 ( 1.314 0.000 -1.639) 2.101 11.351 ( 0.789 0.000 -2.936) 3.041 11.499 ( -2.131 0.000 -0.244) 2.145 12.424 ( -7.264 0.000 -1.487) 7.415 12.555 ( -4.252 0.000 2.935) 5.166 13.037 ( 5.442 0.000 -7.329) 9.128 13.120 ( 5.452 0.000 7.006) 8.877 13.386 ( 4.792 0.000 -1.920) 5.162 13.439 ( 4.714 0.000 2.235) 5.217 17.261 ( 14.672 0.000 -1.805) 14.782 17.303 ( 15.855 0.000 1.889) 15.968 18.273 ( 1.835 0.000 31.645) 31.698 18.281 ( 5.129 0.000 -32.625) 33.025 19.649 ( -9.870 0.000 0.076) 9.871 19.665 ( -9.028 0.000 -0.198) 9.030 19.868 ( -19.695 0.000 4.130) 20.123 19.927 ( -18.997 0.000 -2.521) 19.164 22.659 ( 5.317 0.000 -10.219) 11.519 22.711 ( 5.097 0.000 9.541) 10.817 23.162 ( 4.381 0.000 -4.240) 6.097 23.174 ( 4.252 0.000 3.965) 5.814 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 23.640 0.000 -12.284) 26.641 2.647 ( 23.838 0.000 -19.224) 30.624 3.160 ( 14.828 0.000 14.391) 20.663 3.236 ( 17.778 0.000 13.682) 22.433 3.643 ( 3.252 0.000 -8.865) 9.442 3.716 ( -6.670 0.000 -0.205) 6.673 4.185 ( -6.709 0.000 -10.036) 12.072 4.242 ( -14.774 0.000 -1.193) 14.822 4.501 ( -5.159 0.000 4.981) 7.172 4.610 ( 1.588 0.000 -3.448) 3.796 4.845 ( -2.667 0.000 -9.404) 9.775 4.941 ( -1.567 0.000 2.466) 2.922 5.181 ( 2.096 0.000 -7.376) 7.668 5.279 ( 7.284 0.000 4.168) 8.392 5.512 ( 0.181 0.000 10.034) 10.035 5.536 ( -8.111 0.000 -13.558) 15.799 5.755 ( -3.200 0.000 0.958) 3.340 6.042 ( -7.154 0.000 10.526) 12.727 6.102 ( 0.414 0.000 -4.616) 4.635 6.204 ( 7.568 0.000 -5.231) 9.200 6.225 ( -1.192 0.000 -1.640) 2.027 6.343 ( 9.607 0.000 6.212) 11.441 6.590 ( -1.307 0.000 -8.128) 8.233 6.810 ( -8.785 0.000 4.485) 9.864 6.889 ( 5.627 0.000 2.599) 6.198 7.183 ( 5.501 0.000 7.904) 9.630 7.592 ( 4.507 0.000 -7.198) 8.493 7.746 ( 2.099 0.000 -0.651) 2.198 7.750 ( 1.274 0.000 1.940) 2.321 8.200 ( -14.823 0.000 -0.756) 14.842 8.241 ( 12.083 0.000 13.364) 18.017 8.414 ( -7.262 0.000 -4.648) 8.623 9.263 ( 1.812 0.000 -6.058) 6.323 9.418 ( 2.899 0.000 8.359) 8.848 9.610 ( 4.062 0.000 -5.540) 6.869 9.816 ( 4.234 0.000 2.861) 5.110 10.318 ( -9.779 0.000 -0.697) 9.804 10.642 ( -11.281 0.000 3.138) 11.709 10.893 ( -0.056 0.000 2.103) 2.104 11.071 ( 0.239 0.000 0.487) 0.543 11.358 ( 5.150 0.000 -4.623) 6.921 11.462 ( -1.824 0.000 -0.551) 1.905 12.290 ( -6.895 0.000 -0.855) 6.948 12.536 ( -3.205 0.000 3.698) 4.894 13.042 ( 4.741 0.000 -5.929) 7.591 13.283 ( 3.344 0.000 7.290) 8.021 13.478 ( 4.788 0.000 3.352) 5.845 13.525 ( 2.636 0.000 2.589) 3.695 17.531 ( 19.593 0.000 -1.504) 19.651 17.636 ( 20.901 0.000 1.529) 20.957 18.032 ( 8.203 0.000 -27.822) 29.006 18.644 ( -0.739 0.000 27.033) 27.043 19.446 ( -14.191 0.000 0.072) 14.192 19.479 ( -13.044 0.000 -0.064) 13.044 19.567 ( -18.587 0.000 -2.351) 18.735 19.639 ( -15.261 0.000 8.143) 17.297 22.628 ( 4.444 0.000 -8.810) 9.867 22.827 ( 0.005 0.000 3.342) 3.342 23.178 ( 4.897 0.000 -6.227) 7.922 23.283 ( 3.306 0.000 2.093) 3.913 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 22.750 0.000 -9.435) 24.628 2.866 ( 23.968 0.000 -12.018) 26.813 3.368 ( -12.097 0.000 2.372) 12.328 3.560 ( 9.432 0.000 5.509) 10.923 3.616 ( 9.337 0.000 -0.460) 9.349 3.639 ( 0.426 0.000 0.664) 0.789 4.008 ( -10.171 0.000 -4.309) 11.046 4.111 ( -3.077 0.000 3.036) 4.322 4.493 ( -4.268 0.000 5.445) 6.918 4.631 ( 8.111 0.000 -1.014) 8.174 4.811 ( 2.837 0.000 1.705) 3.310 4.845 ( -6.261 0.000 -6.210) 8.818 5.158 ( 4.786 0.000 -5.240) 7.096 5.220 ( -6.513 0.000 -17.575) 18.742 5.462 ( 5.920 0.000 6.045) 8.461 5.646 ( 1.507 0.000 8.821) 8.948 5.756 ( 7.856 0.000 -4.559) 9.083 5.993 ( -5.137 0.000 -4.857) 7.070 6.026 ( -5.380 0.000 6.147) 8.169 6.265 ( 8.627 0.000 -8.222) 11.918 6.281 ( 7.016 0.000 -1.582) 7.192 6.417 ( -1.458 0.000 -0.301) 1.489 6.571 ( 2.711 0.000 2.751) 3.862 6.699 ( -10.447 0.000 4.478) 11.366 7.168 ( 12.593 0.000 7.335) 14.573 7.269 ( -1.799 0.000 2.652) 3.205 7.540 ( -9.191 0.000 -1.976) 9.401 7.615 ( -6.291 0.000 -3.500) 7.199 7.682 ( -8.470 0.000 -4.950) 9.810 7.998 ( -9.313 0.000 6.257) 11.220 8.336 ( 6.268 0.000 -6.459) 9.000 8.550 ( 6.305 0.000 6.916) 9.359 9.253 ( 5.093 0.000 -3.673) 6.279 9.549 ( 2.511 0.000 4.194) 4.888 9.637 ( 5.447 0.000 -1.464) 5.640 9.934 ( 6.232 0.000 2.533) 6.727 10.140 ( -11.891 0.000 1.648) 12.005 10.476 ( -11.679 0.000 1.768) 11.812 10.938 ( 0.715 0.000 4.669) 4.724 11.082 ( -0.548 0.000 1.920) 1.997 11.402 ( 7.001 0.000 -6.020) 9.233 11.417 ( -1.330 0.000 -2.981) 3.265 12.187 ( -4.585 0.000 0.522) 4.615 12.509 ( -4.109 0.000 1.214) 4.284 13.074 ( 5.502 0.000 -2.310) 5.968 13.372 ( -1.992 0.000 4.940) 5.326 13.607 ( 2.812 0.000 6.904) 7.455 13.609 ( 2.910 0.000 4.339) 5.225 17.863 ( 20.957 0.000 -0.993) 20.981 17.900 ( 13.961 0.000 -19.100) 23.658 18.043 ( 22.175 0.000 -0.833) 22.191 18.730 ( -16.174 0.000 5.535) 17.095 19.176 ( -17.947 0.000 -0.074) 17.947 19.234 ( -15.479 0.000 0.512) 15.487 19.398 ( -4.656 0.000 12.100) 12.965 19.569 ( -8.561 0.000 13.498) 15.984 22.606 ( 4.378 0.000 -7.232) 8.454 22.810 ( -2.787 0.000 -1.602) 3.215 23.182 ( 4.837 0.000 -6.849) 8.385 23.307 ( -0.464 0.000 -2.121) 2.171 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -15.286 0.000 -1.845) 15.397 3.126 ( 20.730 0.000 -7.587) 22.075 3.154 ( 22.272 0.000 -5.417) 22.921 3.617 ( -5.945 0.000 5.978) 8.431 3.648 ( -13.642 0.000 -9.545) 16.650 3.824 ( 11.515 0.000 -1.127) 11.570 3.839 ( 4.190 0.000 10.668) 11.461 4.138 ( -2.236 0.000 7.886) 8.197 4.454 ( -5.258 0.000 0.760) 5.313 4.674 ( -2.676 0.000 -6.326) 6.869 4.680 ( -3.365 0.000 -5.484) 6.434 4.815 ( -2.247 0.000 -10.163) 10.408 5.110 ( 7.698 0.000 3.032) 8.274 5.214 ( 5.398 0.000 -1.363) 5.567 5.595 ( 2.312 0.000 9.513) 9.790 5.731 ( -2.278 0.000 3.980) 4.586 5.847 ( -6.035 0.000 -1.942) 6.339 5.945 ( 19.422 0.000 -8.133) 21.056 6.021 ( -2.608 0.000 4.291) 5.022 6.279 ( -1.908 0.000 -1.324) 2.323 6.305 ( 4.206 0.000 -3.552) 5.505 6.496 ( 5.229 0.000 0.731) 5.279 6.610 ( -0.278 0.000 0.544) 0.611 6.668 ( 1.569 0.000 4.739) 4.992 7.058 ( -22.661 0.000 -2.222) 22.770 7.218 ( -6.113 0.000 1.106) 6.212 7.299 ( -0.164 0.000 -9.423) 9.425 7.430 ( -7.004 0.000 -11.482) 13.449 7.853 ( 17.604 0.000 11.415) 20.981 7.987 ( -6.977 0.000 11.737) 13.655 8.395 ( 8.135 0.000 -6.710) 10.546 8.549 ( -8.623 0.000 -2.871) 9.089 9.363 ( 8.763 0.000 0.576) 8.782 9.546 ( -4.117 0.000 -1.006) 4.239 9.793 ( 9.379 0.000 4.159) 10.260 9.970 ( -11.266 0.000 2.756) 11.598 10.082 ( 7.635 0.000 2.772) 8.123 10.302 ( -10.156 0.000 0.081) 10.156 11.021 ( 0.871 0.000 6.709) 6.766 11.101 ( -0.169 0.000 2.508) 2.514 11.346 ( -1.486 0.000 -4.709) 4.938 11.426 ( 4.413 0.000 -6.985) 8.263 12.167 ( 0.550 0.000 2.363) 2.426 12.422 ( -4.833 0.000 -2.524) 5.453 13.179 ( 7.045 0.000 1.853) 7.284 13.341 ( -6.052 0.000 2.186) 6.434 13.713 ( 2.328 0.000 5.063) 5.572 13.714 ( 0.095 0.000 6.404) 6.404 17.979 ( 18.713 0.000 -12.774) 22.658 18.139 ( 7.067 0.000 -2.587) 7.526 18.389 ( 15.879 0.000 -0.921) 15.906 18.397 ( -15.057 0.000 -2.779) 15.312 18.885 ( -13.761 0.000 0.963) 13.795 18.990 ( -11.946 0.000 -0.402) 11.952 19.581 ( 1.593 0.000 16.471) 16.548 19.644 ( -3.734 0.000 15.352) 15.800 22.609 ( 4.970 0.000 -5.305) 7.269 22.709 ( -4.624 0.000 -4.423) 6.399 23.182 ( 4.361 0.000 -6.050) 7.458 23.231 ( -3.221 0.000 -4.730) 5.723 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -19.767 0.000 -0.526) 19.774 3.140 ( -21.049 0.000 -5.104) 21.659 3.425 ( 13.692 0.000 -12.767) 18.721 3.462 ( 18.320 0.000 -1.550) 18.386 3.583 ( -5.147 0.000 6.261) 8.105 3.922 ( 4.358 0.000 -5.584) 7.083 4.091 ( 6.225 0.000 13.732) 15.077 4.185 ( -7.804 0.000 5.908) 9.788 4.356 ( -3.171 0.000 2.289) 3.911 4.493 ( -4.330 0.000 -6.295) 7.641 4.661 ( -2.469 0.000 -10.968) 11.243 4.662 ( 7.460 0.000 -2.237) 7.788 5.207 ( -1.668 0.000 3.458) 3.839 5.237 ( -3.231 0.000 -1.278) 3.474 5.636 ( -8.656 0.000 -0.158) 8.657 5.789 ( -0.939 0.000 0.713) 1.179 5.813 ( 7.349 0.000 5.035) 8.908 6.010 ( 3.765 0.000 -5.557) 6.712 6.116 ( 5.173 0.000 5.196) 7.332 6.179 ( -17.856 0.000 -4.286) 18.363 6.263 ( -8.781 0.000 4.536) 9.883 6.386 ( -5.095 0.000 3.729) 6.314 6.721 ( 6.862 0.000 -4.285) 8.090 6.786 ( 13.724 0.000 -1.978) 13.865 6.943 ( 2.888 0.000 3.360) 4.431 7.125 ( -4.180 0.000 -0.107) 4.181 7.258 ( 6.629 0.000 -10.678) 12.568 7.262 ( 5.860 0.000 -1.606) 6.076 8.005 ( -7.644 0.000 10.444) 12.942 8.265 ( -15.710 0.000 -6.536) 17.015 8.274 ( 16.418 0.000 8.427) 18.454 8.425 ( 5.062 0.000 -6.617) 8.331 9.401 ( -11.525 0.000 -0.980) 11.567 9.491 ( 4.002 0.000 1.168) 4.169 9.828 ( -9.490 0.000 2.513) 9.817 10.003 ( 8.696 0.000 2.844) 9.149 10.151 ( -5.800 0.000 -0.885) 5.867 10.256 ( 9.511 0.000 2.381) 9.805 11.104 ( -1.721 0.000 7.182) 7.385 11.139 ( 1.266 0.000 2.650) 2.938 11.270 ( 0.047 0.000 -5.011) 5.012 11.380 ( 0.148 0.000 -7.074) 7.075 12.257 ( 5.320 0.000 3.609) 6.428 12.317 ( -2.337 0.000 -3.771) 4.436 13.237 ( -7.701 0.000 0.293) 7.706 13.334 ( 7.346 0.000 3.147) 7.991 13.752 ( -2.787 0.000 3.766) 4.685 13.794 ( 0.995 0.000 3.782) 3.911 17.847 ( -20.347 0.000 -6.498) 21.359 18.136 ( 1.447 0.000 -4.539) 4.764 18.305 ( -11.980 0.000 2.623) 12.264 18.426 ( 5.826 0.000 -3.317) 6.704 18.944 ( 15.017 0.000 1.512) 15.093 18.947 ( 10.273 0.000 -1.480) 10.379 19.772 ( -0.801 0.000 11.680) 11.708 19.773 ( 1.887 0.000 10.458) 10.627 22.565 ( -5.877 0.000 -4.540) 7.426 22.649 ( 5.581 0.000 -2.892) 6.286 23.106 ( -5.154 0.000 -4.098) 6.585 23.188 ( 3.495 0.000 -4.015) 5.323 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -28.124 0.000 2.810) 28.264 2.641 ( -30.325 0.000 -2.776) 30.452 3.456 ( 0.408 0.000 -0.451) 0.608 3.614 ( -9.572 0.000 -2.170) 9.815 3.615 ( 7.334 0.000 -7.420) 10.433 3.836 ( -5.467 0.000 -7.130) 8.985 3.959 ( -7.267 0.000 -1.044) 7.342 4.331 ( 4.326 0.000 8.096) 9.179 4.455 ( -3.228 0.000 2.336) 3.984 4.480 ( -0.393 0.000 13.967) 13.973 4.508 ( 5.201 0.000 -6.252) 8.133 4.842 ( 16.559 0.000 -3.694) 16.966 5.074 ( -8.292 0.000 -5.641) 10.029 5.195 ( -1.685 0.000 1.000) 1.960 5.472 ( -11.094 0.000 1.107) 11.149 5.724 ( -10.114 0.000 -2.186) 10.348 5.805 ( -2.567 0.000 -5.975) 6.503 5.945 ( 2.928 0.000 2.795) 4.048 6.009 ( 0.330 0.000 -3.449) 3.465 6.140 ( -8.356 0.000 3.812) 9.184 6.394 ( 10.703 0.000 11.214) 15.502 6.442 ( 6.054 0.000 -5.618) 8.259 6.763 ( -6.793 0.000 -4.112) 7.941 6.808 ( 7.470 0.000 3.292) 8.163 7.041 ( -5.408 0.000 -0.111) 5.409 7.042 ( 4.439 0.000 1.720) 4.761 7.450 ( 11.423 0.000 5.434) 12.650 7.511 ( 20.393 0.000 -1.725) 20.466 7.789 ( -17.725 0.000 -7.256) 19.153 8.127 ( 0.698 0.000 6.527) 6.564 8.365 ( 1.237 0.000 -8.815) 8.901 8.601 ( 9.589 0.000 4.758) 10.704 9.161 ( -15.205 0.000 0.112) 15.206 9.512 ( -2.438 0.000 0.473) 2.484 9.708 ( -7.286 0.000 0.864) 7.337 9.960 ( -8.433 0.000 -1.037) 8.497 10.256 ( 11.387 0.000 0.539) 11.399 10.450 ( 10.186 0.000 2.258) 10.433 11.094 ( -7.241 0.000 4.755) 8.663 11.201 ( 3.052 0.000 -0.452) 3.085 11.268 ( 4.944 0.000 -3.215) 5.897 11.288 ( -1.688 0.000 -3.426) 3.819 12.278 ( 2.614 0.000 -2.913) 3.914 12.404 ( 6.312 0.000 3.912) 7.426 13.103 ( -7.563 0.000 -0.966) 7.624 13.478 ( 5.978 0.000 1.642) 6.199 13.708 ( -5.732 0.000 1.123) 5.841 13.832 ( 0.141 0.000 0.723) 0.737 17.472 ( -17.501 0.000 -2.030) 17.618 17.860 ( -21.173 0.000 -1.141) 21.203 18.027 ( -21.235 0.000 1.554) 21.292 18.744 ( 27.483 0.000 -1.470) 27.523 19.191 ( 17.152 0.000 -0.733) 17.167 19.229 ( 15.976 0.000 0.519) 15.984 19.865 ( 0.925 0.000 3.035) 3.173 19.883 ( 1.960 0.000 3.016) 3.597 22.420 ( -6.805 0.000 -1.684) 7.011 22.725 ( 5.627 0.000 -0.386) 5.640 22.976 ( -6.452 0.000 -0.943) 6.521 23.207 ( 2.385 0.000 -1.101) 2.626 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -33.165 0.000 11.465) 35.091 2.091 ( -35.167 0.000 3.556) 35.347 3.045 ( -46.606 0.000 3.941) 46.772 3.438 ( -6.743 0.000 2.643) 7.243 3.582 ( -13.486 0.000 -6.680) 15.050 3.680 ( 13.043 0.000 -6.350) 14.506 4.057 ( 7.224 0.000 2.238) 7.562 4.280 ( -1.603 0.000 -5.452) 5.682 4.503 ( -10.836 0.000 4.891) 11.889 4.564 ( 3.102 0.000 11.537) 11.947 4.671 ( 10.454 0.000 -0.343) 10.460 4.947 ( 3.726 0.000 -7.496) 8.370 5.043 ( 8.981 0.000 -1.854) 9.170 5.205 ( 4.464 0.000 -1.373) 4.671 5.426 ( 5.599 0.000 3.511) 6.609 5.593 ( -7.219 0.000 4.469) 8.490 5.697 ( -5.751 0.000 0.720) 5.796 5.931 ( -3.010 0.000 -4.170) 5.143 6.066 ( -4.552 0.000 1.492) 4.790 6.107 ( 11.541 0.000 0.059) 11.541 6.438 ( 6.062 0.000 -9.486) 11.257 6.569 ( -7.036 0.000 -5.584) 8.982 6.663 ( 8.356 0.000 2.063) 8.606 6.963 ( -8.517 0.000 7.142) 11.115 7.059 ( 13.336 0.000 4.041) 13.935 7.118 ( 1.404 0.000 4.350) 4.571 7.296 ( -24.485 0.000 -3.193) 24.692 7.703 ( 9.212 0.000 5.462) 10.709 7.775 ( 4.891 0.000 -1.468) 5.106 8.248 ( -2.039 0.000 -7.939) 8.197 8.343 ( 17.018 0.000 2.228) 17.163 8.662 ( -3.940 0.000 -4.303) 5.835 8.976 ( -8.743 0.000 5.663) 10.417 9.441 ( -6.065 0.000 0.674) 6.103 9.611 ( -4.457 0.000 -0.317) 4.468 9.806 ( -8.535 0.000 0.022) 8.535 10.433 ( 9.800 0.000 -1.368) 9.895 10.639 ( 8.788 0.000 2.293) 9.082 11.022 ( -6.556 0.000 3.628) 7.493 11.137 ( -1.081 0.000 -7.997) 8.069 11.324 ( 6.033 0.000 -3.390) 6.920 11.348 ( 4.431 0.000 4.578) 6.371 12.332 ( 6.807 0.000 -1.876) 7.061 12.542 ( 4.661 0.000 3.395) 5.766 12.972 ( -6.205 0.000 -1.451) 6.372 13.542 ( -0.357 0.000 -3.228) 3.248 13.610 ( -4.496 0.000 1.089) 4.626 13.802 ( -1.164 0.000 -5.609) 5.728 17.237 ( -12.589 0.000 5.488) 13.733 17.501 ( -19.959 0.000 -0.230) 19.960 17.682 ( -20.527 0.000 0.307) 20.529 19.206 ( 27.647 0.000 -1.189) 27.673 19.453 ( 14.263 0.000 -0.327) 14.267 19.473 ( 12.585 0.000 0.165) 12.587 19.864 ( 2.236 0.000 -7.222) 7.560 19.923 ( 2.968 0.000 -2.057) 3.612 22.303 ( -7.993 0.000 2.910) 8.506 22.819 ( 4.801 0.000 1.031) 4.911 22.881 ( -6.356 0.000 3.511) 7.262 23.242 ( 1.192 0.000 1.613) 2.005 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -35.398 0.000 14.887) 38.401 1.597 ( -33.601 0.000 19.021) 38.611 2.407 ( -46.105 0.000 30.144) 55.085 3.253 ( -12.666 0.000 -5.293) 13.727 3.289 ( -12.876 0.000 -4.191) 13.541 3.894 ( 13.355 0.000 0.527) 13.365 4.064 ( -4.976 0.000 -2.492) 5.565 4.313 ( 8.645 0.000 4.183) 9.604 4.488 ( 4.208 0.000 8.034) 9.069 4.729 ( 5.012 0.000 -0.857) 5.084 4.796 ( 5.361 0.000 5.054) 7.368 4.934 ( 4.880 0.000 -8.056) 9.419 5.123 ( -0.221 0.000 3.063) 3.071 5.337 ( 12.710 0.000 -2.969) 13.052 5.549 ( -5.280 0.000 7.874) 9.480 5.642 ( -7.499 0.000 9.906) 12.424 5.675 ( 15.634 0.000 0.772) 15.653 5.850 ( 0.404 0.000 -5.678) 5.692 5.987 ( -7.129 0.000 -0.805) 7.174 6.326 ( 16.227 0.000 -0.374) 16.231 6.376 ( -7.339 0.000 -5.489) 9.164 6.450 ( 6.367 0.000 -7.290) 9.679 6.693 ( -5.708 0.000 -4.276) 7.132 6.829 ( -11.000 0.000 -1.993) 11.179 7.032 ( -10.155 0.000 13.026) 16.517 7.087 ( -2.000 0.000 -5.317) 5.681 7.325 ( 10.571 0.000 -2.184) 10.795 7.754 ( -6.482 0.000 -2.708) 7.025 7.759 ( -2.721 0.000 -1.529) 3.121 8.267 ( 7.074 0.000 6.756) 9.781 8.466 ( -6.402 0.000 -9.223) 11.228 8.638 ( 15.449 0.000 -1.284) 15.502 8.948 ( -5.994 0.000 9.055) 10.859 9.353 ( -5.928 0.000 2.344) 6.375 9.557 ( -1.294 0.000 -0.512) 1.392 9.698 ( -5.681 0.000 2.394) 6.165 10.543 ( 6.415 0.000 -2.649) 6.941 10.784 ( 5.061 0.000 1.869) 5.395 10.969 ( -4.235 0.000 3.068) 5.230 11.037 ( -0.045 0.000 -6.526) 6.526 11.389 ( 7.074 0.000 -4.056) 8.154 11.485 ( 6.002 0.000 2.885) 6.659 12.445 ( 8.678 0.000 -1.613) 8.827 12.636 ( 2.824 0.000 2.320) 3.655 12.864 ( -4.926 0.000 -1.261) 5.085 13.392 ( -8.546 0.000 -4.110) 9.483 13.590 ( -0.313 0.000 -2.368) 2.388 13.615 ( -8.523 0.000 -13.945) 16.343 17.185 ( -7.647 0.000 14.118) 16.056 17.207 ( -14.890 0.000 0.490) 14.898 17.371 ( -15.874 0.000 -0.316) 15.877 19.504 ( 12.705 0.000 -16.311) 20.675 19.651 ( 9.753 0.000 -0.055) 9.753 19.653 ( 8.564 0.000 0.276) 8.569 19.872 ( 13.027 0.000 -3.269) 13.431 19.987 ( 8.368 0.000 -0.178) 8.370 22.218 ( -9.228 0.000 7.253) 11.737 22.854 ( -4.521 0.000 7.397) 8.669 22.895 ( 2.984 0.000 0.100) 2.985 23.258 ( -2.049 0.000 0.067) 2.050 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -24.726 0.000 26.391) 36.164 1.343 ( -22.535 0.000 28.881) 36.632 2.380 ( -20.445 0.000 58.041) 61.537 2.937 ( -11.681 0.000 -11.855) 16.643 3.012 ( -9.228 0.000 -12.980) 15.926 4.031 ( -0.236 0.000 3.541) 3.549 4.053 ( 9.946 0.000 -6.335) 11.792 4.660 ( 10.110 0.000 18.196) 20.816 4.677 ( 1.161 0.000 8.432) 8.511 4.760 ( 8.575 0.000 -3.282) 9.182 4.967 ( 10.719 0.000 -5.108) 11.874 4.976 ( 4.192 0.000 8.516) 9.492 5.116 ( -2.031 0.000 0.532) 2.099 5.426 ( 7.712 0.000 -13.253) 15.334 5.575 ( -1.264 0.000 7.273) 7.382 5.660 ( -15.939 0.000 -4.800) 16.646 5.754 ( 0.278 0.000 5.697) 5.703 5.888 ( 3.461 0.000 3.447) 4.885 5.894 ( 7.115 0.000 0.451) 7.129 6.219 ( -4.577 0.000 -2.845) 5.389 6.423 ( 0.718 0.000 -9.263) 9.291 6.498 ( -10.502 0.000 3.293) 11.006 6.643 ( 14.999 0.000 -1.085) 15.038 6.751 ( -3.627 0.000 2.086) 4.184 6.953 ( 4.284 0.000 -9.922) 10.807 7.007 ( -7.499 0.000 6.850) 10.156 7.327 ( 1.248 0.000 -11.571) 11.638 7.616 ( -3.045 0.000 -3.983) 5.014 7.710 ( -0.479 0.000 -0.250) 0.540 8.158 ( -10.244 0.000 -10.434) 14.622 8.528 ( 6.078 0.000 3.285) 6.909 8.800 ( 7.140 0.000 -3.464) 7.936 8.988 ( -5.359 0.000 10.847) 12.098 9.308 ( -3.277 0.000 3.143) 4.540 9.552 ( 0.831 0.000 -0.086) 0.836 9.668 ( -2.575 0.000 3.418) 4.279 10.622 ( 7.573 0.000 -1.782) 7.780 10.826 ( -1.655 0.000 0.228) 1.670 10.961 ( -1.128 0.000 2.848) 3.063 11.003 ( 3.480 0.000 -3.357) 4.835 11.461 ( 6.916 0.000 -3.961) 7.970 11.573 ( 2.313 0.000 -2.316) 3.274 12.568 ( 7.767 0.000 -1.700) 7.951 12.706 ( 4.046 0.000 0.345) 4.061 12.770 ( -5.848 0.000 1.057) 5.942 13.200 ( -7.604 0.000 -4.482) 8.826 13.267 ( -13.713 0.000 -4.220) 14.348 13.528 ( -1.543 0.000 -5.125) 5.352 17.025 ( -7.749 0.000 1.090) 7.826 17.143 ( -8.482 0.000 -0.739) 8.514 17.310 ( -4.660 0.000 21.187) 21.694 19.315 ( 2.984 0.000 -30.037) 30.185 19.764 ( 4.266 0.000 0.409) 4.286 19.780 ( 5.424 0.000 -0.048) 5.424 20.137 ( 13.206 0.000 2.015) 13.359 20.219 ( 15.784 0.000 0.910) 15.811 22.177 ( -7.465 0.000 10.508) 12.890 22.892 ( -1.537 0.000 -5.094) 5.321 22.897 ( -2.112 0.000 8.816) 9.066 23.154 ( -6.446 0.000 -1.343) 6.584 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -1.393 21.695 26.977) 34.647 1.871 ( 4.138 27.787 24.910) 37.547 2.767 ( 1.439 12.446 -17.665) 21.657 2.840 ( -4.914 11.878 -16.128) 20.624 3.068 ( -1.227 13.007 53.644) 55.212 4.026 ( -4.095 -0.141 2.028) 4.572 4.057 ( 4.398 -2.704 -4.945) 7.149 4.528 ( 0.115 -13.323 9.919) 16.611 4.774 ( -1.984 -7.328 -0.852) 7.639 4.847 ( 4.410 -6.802 -1.515) 8.247 4.961 ( 1.381 -9.385 -3.919) 10.264 5.075 ( -6.574 4.404 2.384) 8.264 5.182 ( 3.684 -4.855 -15.213) 16.388 5.247 ( -0.241 -7.000 -1.430) 7.149 5.521 ( 2.147 6.523 5.247) 8.643 5.648 ( 6.185 -4.569 2.168) 7.990 5.766 ( -1.997 1.654 9.477) 9.825 5.947 ( 0.314 0.750 4.464) 4.538 6.103 ( 5.962 0.468 2.091) 6.336 6.192 ( -2.859 3.800 2.842) 5.540 6.340 ( -3.361 -2.502 -4.603) 6.225 6.455 ( -14.400 9.659 -0.174) 17.340 6.632 ( 2.016 2.920 -2.299) 4.228 6.719 ( 7.546 -5.032 0.808) 9.106 6.804 ( 2.232 0.382 -1.392) 2.658 7.089 ( -3.978 2.626 -6.896) 8.383 7.437 ( 2.952 8.956 -8.661) 12.803 7.571 ( 4.356 7.372 -5.259) 10.048 7.879 ( 2.361 7.579 -1.853) 8.152 8.000 ( -7.018 10.667 -5.988) 14.103 8.534 ( 0.667 -6.066 4.064) 7.332 8.742 ( -1.801 -4.122 -1.112) 4.634 8.995 ( -0.972 -1.826 9.932) 10.145 9.303 ( -0.478 -0.734 0.965) 1.303 9.676 ( -0.527 0.889 0.539) 1.166 9.727 ( -1.764 13.429 -6.636) 15.082 10.605 ( 1.890 -9.478 0.141) 9.666 10.692 ( 1.099 -5.742 -2.218) 6.253 10.957 ( -1.112 -0.613 4.781) 4.947 11.175 ( 1.884 8.159 -4.942) 9.723 11.460 ( -1.216 -2.196 -0.807) 2.637 11.587 ( 0.616 4.879 -5.547) 7.413 12.576 ( 1.363 -5.926 -0.109) 6.081 12.638 ( -3.841 -3.393 -1.289) 5.284 12.788 ( 3.575 -3.176 4.489) 6.558 12.957 ( 0.524 -14.262 11.503) 18.330 13.067 ( -0.660 -1.352 -4.142) 4.406 13.454 ( -0.437 -1.105 -11.337) 11.399 17.119 ( 0.403 13.637 1.776) 13.758 17.203 ( -0.418 14.487 -1.746) 14.598 17.574 ( -1.610 3.279 26.695) 26.943 18.979 ( 2.518 0.468 -33.827) 33.923 19.657 ( 0.575 -14.174 0.492) 14.194 19.709 ( -1.069 -8.529 -2.593) 8.979 20.209 ( -1.559 -5.963 2.309) 6.582 20.313 ( 1.105 -5.805 -2.061) 6.259 22.345 ( 0.240 8.461 12.174) 14.828 22.818 ( -0.123 3.523 -7.229) 8.043 23.012 ( -0.158 3.420 7.729) 8.453 23.165 ( -0.183 5.435 -0.292) 5.446 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 7.113 10.501 27.294) 30.097 2.395 ( 17.438 21.656 22.348) 35.672 2.548 ( 3.752 12.486 -22.054) 25.619 2.707 ( 12.092 13.637 -19.137) 26.428 3.648 ( 2.467 7.097 28.447) 29.422 4.012 ( -1.046 -1.787 -6.688) 7.002 4.065 ( -0.131 3.098 17.983) 18.248 4.573 ( -6.901 -4.790 3.899) 9.261 4.691 ( -3.392 -0.327 -11.063) 11.576 4.777 ( 0.194 -8.839 -8.982) 12.604 4.889 ( 1.897 -0.641 0.837) 2.170 4.975 ( -2.283 -9.957 -0.709) 10.240 5.051 ( -2.034 -13.449 -7.700) 15.631 5.299 ( 2.835 -3.673 0.061) 4.640 5.572 ( -7.931 0.587 -4.652) 9.213 5.762 ( 7.765 -5.799 -3.562) 10.325 5.847 ( -11.893 8.123 16.300) 21.751 5.931 ( -8.249 -5.216 3.487) 10.364 6.050 ( 2.731 4.566 2.085) 5.714 6.143 ( -3.636 2.889 -6.151) 7.707 6.239 ( -7.172 6.485 2.262) 9.930 6.489 ( 11.112 -2.112 7.261) 13.441 6.635 ( 2.364 7.572 -3.441) 8.647 6.776 ( -2.895 0.512 3.171) 4.324 6.949 ( 6.565 2.441 -7.519) 10.276 7.012 ( 9.788 -6.071 -1.305) 11.592 7.339 ( -1.687 8.245 -2.753) 8.855 7.616 ( 10.275 11.881 -9.317) 18.263 7.839 ( -3.686 9.430 -1.234) 10.200 7.935 ( 1.218 8.325 1.859) 8.617 8.584 ( -1.395 -3.838 3.938) 5.673 8.620 ( -7.428 -4.888 -4.360) 9.903 9.124 ( -0.012 1.053 12.436) 12.480 9.294 ( 0.809 -2.499 -3.744) 4.573 9.675 ( 1.259 3.880 -1.171) 4.244 9.687 ( 1.463 4.500 -0.286) 4.740 10.564 ( -4.465 -6.242 -1.257) 7.777 10.694 ( 0.326 -7.084 -0.917) 7.151 10.970 ( -5.167 1.182 5.095) 7.353 11.123 ( 0.104 3.873 -5.204) 6.488 11.426 ( -0.919 2.313 -0.301) 2.507 11.546 ( -0.123 2.107 -3.050) 3.709 12.529 ( -6.021 -2.981 -1.827) 6.962 12.560 ( -3.938 -4.858 1.421) 6.413 12.924 ( 5.310 -2.921 6.138) 8.626 13.017 ( 5.191 -1.372 -6.715) 8.597 13.188 ( 7.001 -9.140 7.434) 13.704 13.348 ( 3.158 -3.788 -9.524) 10.725 17.210 ( 7.580 13.035 2.474) 15.280 17.238 ( 7.283 13.978 -2.140) 15.906 17.911 ( 1.552 3.436 29.834) 30.071 18.622 ( 3.366 1.188 -34.396) 34.580 19.598 ( -8.287 -14.616 0.357) 16.806 19.625 ( -6.275 -12.006 -0.872) 13.575 20.147 ( -8.452 -1.568 2.395) 8.924 20.246 ( -6.243 -0.706 -1.741) 6.519 22.527 ( 3.732 5.407 11.631) 13.358 22.731 ( 1.650 3.140 -8.960) 9.636 23.098 ( 1.089 2.921 5.601) 6.410 23.169 ( 1.681 3.423 -1.637) 4.150 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 14.858 6.495 -23.178) 28.287 2.593 ( 17.056 1.749 22.642) 28.401 2.743 ( 16.792 15.510 -16.417) 28.143 2.928 ( 15.689 14.601 19.056) 28.679 3.772 ( -0.727 3.283 1.212) 3.574 3.848 ( -2.466 4.179 -9.514) 10.679 4.375 ( -4.202 -0.122 7.832) 8.889 4.442 ( -2.431 -2.665 0.308) 3.620 4.575 ( -6.006 1.283 -4.775) 7.779 4.656 ( -1.666 2.498 2.943) 4.204 4.801 ( -5.581 -15.039 -11.757) 19.888 4.996 ( 2.009 -4.442 -3.465) 5.981 5.029 ( 2.412 -0.223 0.453) 2.464 5.266 ( -5.860 -12.450 6.267) 15.120 5.381 ( 1.029 1.267 -1.610) 2.293 5.707 ( -8.619 -10.535 -6.215) 14.964 5.789 ( -14.028 1.301 6.433) 15.487 5.928 ( 0.642 -0.530 6.046) 6.103 6.081 ( 3.894 1.884 -5.966) 7.369 6.104 ( 8.238 5.315 -0.574) 9.821 6.255 ( -2.641 2.609 7.782) 8.622 6.501 ( -3.119 7.736 -6.395) 10.511 6.687 ( 0.386 -1.967 -3.843) 4.335 6.859 ( 5.200 2.975 2.220) 6.389 6.932 ( 1.737 3.174 2.023) 4.145 7.098 ( 2.915 6.765 -1.689) 7.558 7.460 ( 10.728 0.489 4.511) 11.649 7.660 ( 3.194 6.106 -5.796) 9.005 7.839 ( 4.298 9.084 0.368) 10.056 8.031 ( 5.713 8.220 7.520) 12.520 8.406 ( -12.358 -5.604 -1.824) 13.692 8.563 ( -5.456 -1.378 0.539) 5.653 9.190 ( -0.556 -4.833 -5.372) 7.248 9.310 ( 2.350 -0.470 6.810) 7.220 9.702 ( 2.924 5.989 -0.625) 6.695 9.740 ( 3.258 3.266 2.020) 5.036 10.442 ( -6.278 -3.846 -3.757) 8.265 10.681 ( -2.749 -5.989 2.205) 6.949 10.914 ( -6.973 0.646 4.258) 8.196 11.085 ( 0.986 1.439 -3.020) 3.488 11.408 ( 1.305 5.216 -3.788) 6.577 11.522 ( -0.961 2.295 0.910) 2.649 12.397 ( -6.714 -2.702 -1.815) 7.462 12.520 ( -3.800 -3.409 3.383) 6.124 13.023 ( 5.582 -1.402 -7.623) 9.551 13.101 ( 5.866 -1.776 7.365) 9.582 13.323 ( 6.012 -5.713 -3.464) 8.989 13.387 ( 5.603 -4.744 3.620) 8.186 17.387 ( 13.541 12.083 -2.851) 18.371 17.429 ( 14.450 12.048 3.161) 19.078 18.293 ( 3.460 2.256 2.655) 4.910 18.312 ( 4.472 3.033 -4.538) 7.056 19.421 ( -12.300 -14.497 -0.319) 19.015 19.476 ( -11.608 -13.480 2.348) 17.944 20.003 ( -11.701 6.859 2.198) 13.740 20.073 ( -11.667 7.354 -1.806) 13.909 22.650 ( 2.617 -0.604 -6.696) 7.215 22.717 ( 2.499 0.360 5.788) 6.315 23.166 ( 2.451 0.640 -2.237) 3.380 23.190 ( 2.616 1.267 1.944) 3.497 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 23.382 -1.253 -19.738) 30.625 2.847 ( 17.024 12.380 -14.039) 25.301 3.126 ( 17.944 -0.173 14.649) 23.165 3.342 ( 8.386 6.921 14.578) 18.186 3.753 ( 2.435 7.086 -2.135) 7.791 3.769 ( -2.791 6.091 -1.720) 6.917 4.172 ( -9.424 -1.168 -10.741) 14.337 4.273 ( -6.186 0.246 -4.235) 7.501 4.471 ( -3.052 -4.439 -2.373) 5.886 4.617 ( -3.002 0.165 -5.791) 6.525 4.715 ( -1.859 0.352 4.167) 4.576 4.949 ( -0.189 -5.876 2.239) 6.291 5.154 ( 8.249 1.916 -4.914) 9.791 5.313 ( -2.269 -8.395 5.393) 10.233 5.388 ( -7.472 -8.964 -4.376) 12.464 5.500 ( -0.437 1.356 3.389) 3.677 5.681 ( -2.059 -3.780 -0.449) 4.328 5.927 ( -3.320 -6.337 1.837) 7.386 6.067 ( 4.654 -4.082 -8.191) 10.267 6.206 ( -3.695 3.886 -5.413) 7.619 6.335 ( 9.456 5.033 1.828) 10.866 6.466 ( 2.522 4.801 4.527) 7.064 6.653 ( -2.463 5.632 0.201) 6.150 6.784 ( -5.392 4.933 -0.667) 7.339 7.048 ( 3.692 0.974 2.694) 4.673 7.185 ( 1.695 8.140 6.758) 10.715 7.591 ( -1.609 -2.030 -4.658) 5.330 7.663 ( 7.325 -1.023 -0.050) 7.396 7.864 ( -3.092 4.846 -1.043) 5.843 8.184 ( -12.434 -1.181 0.936) 12.525 8.325 ( 12.604 7.310 11.579) 18.611 8.440 ( -4.941 2.416 -3.726) 6.643 9.090 ( 0.469 -9.766 -8.935) 13.245 9.432 ( 2.059 -2.055 5.863) 6.545 9.757 ( 3.944 10.512 0.441) 11.236 9.831 ( 4.731 2.413 1.886) 5.635 10.286 ( -7.589 -2.549 -2.568) 8.407 10.627 ( -8.843 -1.448 4.105) 9.857 10.882 ( -1.324 -0.661 3.242) 3.564 11.073 ( 0.299 -0.009 -0.603) 0.673 11.403 ( 4.665 4.185 -4.912) 7.963 11.516 ( -1.234 5.032 0.240) 5.186 12.270 ( -6.260 -1.877 -0.907) 6.598 12.511 ( -2.838 -2.382 3.992) 5.446 13.029 ( 5.041 -1.196 -6.139) 8.033 13.269 ( 3.634 -1.571 6.296) 7.438 13.415 ( 6.741 -4.798 1.502) 8.409 13.512 ( 3.015 -1.898 5.303) 6.388 17.593 ( 15.784 5.311 -6.379) 17.833 17.756 ( 19.557 11.471 3.249) 22.905 18.105 ( 10.870 7.826 -22.631) 26.298 18.625 ( -3.096 -2.256 20.721) 21.072 19.214 ( -11.109 -10.896 3.257) 15.897 19.343 ( -10.812 -8.286 7.967) 15.781 19.801 ( -14.566 12.671 -1.392) 19.357 19.836 ( -14.445 12.094 1.952) 18.940 22.604 ( 3.058 -2.199 -7.997) 8.839 22.784 ( -0.845 -4.087 2.259) 4.745 23.160 ( 3.201 -1.683 -5.864) 6.889 23.252 ( 1.700 -2.701 0.623) 3.252 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 24.472 -7.353 -13.089) 28.710 2.982 ( 17.893 7.423 -12.063) 22.820 3.379 ( -14.088 0.837 1.008) 14.149 3.511 ( 12.916 -0.020 5.457) 14.021 3.755 ( 6.353 8.751 3.241) 11.289 3.820 ( -1.541 8.254 5.554) 10.068 3.928 ( -7.208 0.149 -8.908) 11.460 4.247 ( -3.415 7.930 3.827) 9.445 4.475 ( 7.551 -6.998 4.066) 11.069 4.554 ( 0.560 0.012 -0.898) 1.058 4.744 ( 0.302 0.065 1.592) 1.622 4.897 ( -4.213 -1.177 -4.732) 6.444 5.112 ( -6.367 -6.081 -14.347) 16.833 5.198 ( 2.381 -0.186 -1.626) 2.890 5.381 ( 4.214 -5.400 4.093) 7.979 5.572 ( -3.009 -7.500 9.273) 12.300 5.762 ( 11.634 -0.044 -2.591) 11.919 5.928 ( -0.885 -3.327 2.229) 4.101 6.035 ( -3.088 -3.835 -6.275) 7.976 6.076 ( 3.567 -5.622 -4.676) 8.136 6.420 ( 3.928 5.719 -3.454) 7.751 6.572 ( 1.484 1.799 1.133) 2.592 6.595 ( -2.390 11.949 1.664) 12.299 6.717 ( -5.953 1.559 3.316) 6.990 7.067 ( -4.676 -12.719 -0.467) 13.559 7.334 ( 2.466 10.642 2.291) 11.162 7.521 ( 0.097 -1.999 2.577) 3.263 7.643 ( -4.796 -3.118 -5.658) 8.045 7.704 ( -9.779 6.627 -4.372) 12.596 8.068 ( -6.055 6.321 7.183) 11.323 8.392 ( 5.164 4.987 -4.314) 8.375 8.614 ( 5.986 5.575 6.310) 10.331 9.042 ( 5.550 -12.989 -5.155) 15.036 9.492 ( -1.002 -6.095 1.572) 6.374 9.849 ( 4.925 13.553 2.552) 14.644 9.940 ( 6.171 0.635 1.274) 6.333 10.142 ( -7.437 1.044 0.592) 7.534 10.491 ( -11.883 0.997 2.953) 12.285 10.937 ( 1.423 0.139 5.102) 5.299 11.091 ( 0.974 0.769 1.771) 2.162 11.434 ( 5.239 3.484 -5.541) 8.384 11.478 ( -0.864 5.314 -3.003) 6.165 12.178 ( -4.057 -0.838 0.616) 4.188 12.495 ( -3.788 -1.463 1.565) 4.352 13.060 ( 5.421 -1.259 -2.735) 6.201 13.347 ( -1.192 -2.480 3.478) 4.435 13.566 ( 4.779 -2.012 6.376) 8.219 13.624 ( 2.300 -0.091 6.401) 6.803 17.710 ( 13.973 -6.250 -14.227) 20.897 18.117 ( 19.307 12.951 -1.546) 23.300 18.214 ( 20.427 15.709 -3.129) 25.959 18.546 ( -16.937 -13.555 0.031) 21.694 19.222 ( -7.462 2.999 12.109) 14.537 19.304 ( -7.050 3.084 11.133) 13.533 19.515 ( -14.400 11.576 0.859) 18.496 19.666 ( -11.441 9.476 7.258) 16.534 22.570 ( 3.463 -3.426 -6.942) 8.481 22.749 ( -2.887 -5.993 -2.328) 7.048 23.141 ( 3.563 -3.862 -6.781) 8.579 23.246 ( -0.619 -5.496 -3.265) 6.423 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 20.659 -10.664 -5.297) 23.845 3.118 ( -12.124 1.491 -2.252) 12.422 3.167 ( 16.504 3.254 -8.515) 18.854 3.563 ( -15.639 -7.197 -11.410) 20.653 3.719 ( 2.155 5.618 5.524) 8.168 3.910 ( 2.542 10.408 5.197) 11.908 3.948 ( 5.488 6.984 9.184) 12.776 4.241 ( -2.068 7.693 4.264) 9.036 4.516 ( -2.075 5.169 -1.486) 5.765 4.597 ( -0.387 -3.904 -5.069) 6.410 4.732 ( -1.204 -0.954 -3.251) 3.596 4.798 ( -6.778 1.499 -11.991) 13.855 4.971 ( 11.609 -8.994 4.572) 15.380 5.220 ( -1.229 0.025 1.362) 1.835 5.553 ( 5.127 -5.283 12.088) 14.153 5.636 ( -3.600 -8.433 4.345) 10.147 5.802 ( -0.952 -6.224 -6.593) 9.117 5.939 ( 8.129 -3.193 -0.989) 8.789 6.041 ( 1.989 3.268 3.448) 5.150 6.155 ( 7.688 -9.752 -0.809) 12.444 6.374 ( -1.227 7.810 -3.921) 8.825 6.554 ( -1.847 4.353 -3.212) 5.716 6.629 ( -8.635 -1.849 3.041) 9.339 6.674 ( 7.257 3.590 -0.757) 8.132 6.940 ( -8.398 -11.453 -1.096) 14.244 7.167 ( -8.082 3.694 -3.127) 9.420 7.391 ( -7.407 -3.534 -9.782) 12.769 7.437 ( -5.404 5.895 -10.048) 12.842 7.890 ( 13.803 4.446 11.547) 18.537 8.103 ( -3.560 9.807 11.803) 15.753 8.454 ( 7.066 5.190 -4.802) 9.996 8.605 ( -7.404 4.535 -3.901) 9.519 9.177 ( 10.918 -12.333 1.188) 16.514 9.420 ( -7.229 -9.936 -1.382) 12.365 9.961 ( 3.602 9.493 2.883) 10.555 10.066 ( -4.352 7.319 2.759) 8.950 10.085 ( 9.227 1.389 2.436) 9.643 10.314 ( -11.533 1.376 1.028) 11.660 11.036 ( 1.557 1.585 6.864) 7.215 11.136 ( 0.465 3.094 3.296) 4.544 11.390 ( -1.376 4.128 -4.857) 6.521 11.461 ( 3.689 3.427 -6.763) 8.432 12.166 ( 0.789 -0.047 2.437) 2.562 12.415 ( -4.821 -0.737 -2.207) 5.353 13.155 ( 6.392 -2.227 1.574) 6.950 13.320 ( -5.107 -2.101 1.455) 5.711 13.700 ( 1.718 -0.352 6.492) 6.725 13.728 ( 1.105 0.653 5.809) 5.949 17.814 ( 17.558 -10.014 -11.175) 23.096 18.092 ( -17.497 -10.514 -7.306) 21.681 18.483 ( 11.996 14.620 1.027) 18.939 18.575 ( 17.687 14.904 2.385) 23.252 19.084 ( -16.179 15.559 -0.593) 22.454 19.120 ( -11.971 11.668 1.766) 16.809 19.595 ( 2.037 1.521 15.215) 15.425 19.662 ( -4.469 2.148 13.454) 14.339 22.560 ( 4.132 -4.866 -5.496) 8.424 22.645 ( -4.047 -6.386 -4.948) 9.035 23.123 ( 3.442 -5.540 -6.134) 8.954 23.165 ( -2.597 -6.005 -5.194) 8.354 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -17.842 3.668 -0.790) 18.233 3.021 ( -24.752 -9.356 -6.667) 27.288 3.295 ( 15.439 -9.764 0.545) 18.276 3.424 ( 16.966 -0.220 -12.937) 21.337 3.750 ( -3.104 10.195 5.657) 12.065 4.006 ( 3.773 6.622 -2.700) 8.085 4.146 ( 2.335 2.722 12.497) 13.001 4.268 ( -3.061 3.755 6.527) 8.128 4.416 ( -5.340 7.463 -4.198) 10.091 4.516 ( -0.253 3.347 -5.947) 6.829 4.631 ( -2.578 -1.787 -8.200) 8.780 4.673 ( 6.384 1.103 -2.342) 6.889 5.105 ( -6.361 -4.048 2.625) 7.984 5.270 ( 6.772 0.421 1.562) 6.962 5.484 ( -11.335 -13.453 0.964) 17.617 5.736 ( 0.541 -3.744 0.577) 3.826 5.868 ( -0.765 -3.905 13.276) 13.860 6.032 ( 7.792 -1.941 -4.559) 9.234 6.082 ( -5.909 -4.430 2.303) 7.736 6.148 ( -1.873 8.871 -3.717) 9.799 6.333 ( -9.696 0.772 -2.472) 10.036 6.369 ( -0.910 0.217 2.534) 2.701 6.605 ( 4.467 -7.803 -4.752) 10.170 6.800 ( 8.840 0.148 -2.322) 9.141 6.889 ( 1.321 -4.245 3.115) 5.429 7.118 ( -1.634 1.416 1.993) 2.941 7.242 ( 4.721 -0.962 -11.089) 12.090 7.306 ( 6.825 2.567 -4.035) 8.333 8.080 ( -5.360 6.088 11.124) 13.767 8.325 ( 8.849 5.085 6.215) 11.949 8.339 ( -11.075 6.021 -5.549) 13.773 8.492 ( 4.548 5.842 -5.290) 9.099 9.239 ( -11.367 -10.821 -1.307) 15.748 9.363 ( 7.638 -10.159 1.162) 12.763 10.004 ( -4.207 11.489 3.224) 12.653 10.057 ( 0.575 3.513 1.463) 3.849 10.143 ( -7.442 -0.523 -0.719) 7.495 10.299 ( 11.444 4.144 2.777) 12.484 11.132 ( -0.654 2.558 6.856) 7.347 11.166 ( -2.141 2.789 3.428) 4.910 11.321 ( 1.160 4.678 -5.434) 7.264 11.417 ( 1.103 3.656 -6.522) 7.558 12.256 ( 5.129 -0.005 3.595) 6.263 12.311 ( -2.700 -0.631 -3.447) 4.424 13.214 ( -6.881 -2.250 0.389) 7.250 13.302 ( 5.931 -3.055 2.535) 7.137 13.760 ( -2.360 0.815 4.185) 4.873 13.795 ( 0.270 0.204 3.816) 3.831 17.689 ( -19.127 -10.736 -5.811) 22.691 18.032 ( 18.144 -10.232 -5.126) 21.452 18.530 ( -14.217 18.027 2.361) 23.080 18.577 ( -13.714 15.893 -2.143) 21.101 19.077 ( 14.135 12.485 2.358) 19.006 19.125 ( 14.587 14.725 -0.778) 20.741 19.772 ( -0.441 0.223 11.172) 11.182 19.783 ( 1.790 0.991 9.553) 9.769 22.511 ( -4.746 -5.356 -4.751) 8.590 22.582 ( 4.811 -6.841 -3.467) 9.054 23.050 ( -4.224 -5.216 -4.243) 7.940 23.114 ( 2.668 -6.667 -4.102) 8.270 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -31.177 -6.558 -0.514) 31.864 2.483 ( -26.584 1.462 -0.676) 26.633 3.437 ( 2.889 -0.343 -1.235) 3.161 3.578 ( 12.126 -2.956 -4.664) 13.324 3.768 ( 0.472 5.702 -2.844) 6.389 3.954 ( -4.738 9.989 -3.406) 11.569 4.089 ( -17.553 13.627 -3.658) 22.521 4.305 ( -0.310 -3.748 9.693) 10.397 4.408 ( -0.050 -3.025 3.151) 4.368 4.474 ( -3.496 1.384 -0.135) 3.763 4.553 ( 4.971 4.436 2.058) 6.974 4.857 ( 15.132 0.469 -4.431) 15.774 4.971 ( -3.715 -2.407 -3.668) 5.749 5.321 ( -6.803 -7.310 4.486) 10.947 5.361 ( -3.223 2.529 1.932) 4.529 5.737 ( 1.587 -6.350 -1.054) 6.630 5.749 ( -12.331 2.984 -6.769) 14.380 5.840 ( -6.516 -2.954 1.745) 7.364 6.100 ( 0.776 -0.422 -2.327) 2.490 6.212 ( -4.661 4.146 -2.652) 6.779 6.395 ( 3.183 -2.548 -6.357) 7.552 6.412 ( 15.295 2.095 9.905) 18.342 6.641 ( 3.544 -8.186 3.388) 9.542 6.828 ( -1.504 -1.041 3.909) 4.316 6.958 ( 0.794 -5.037 3.720) 6.312 7.067 ( -1.745 1.075 -6.209) 6.539 7.351 ( 14.169 -6.200 1.324) 15.523 7.588 ( 19.388 4.228 2.156) 19.961 7.926 ( -17.691 11.832 -7.750) 22.650 8.144 ( -1.320 2.189 5.054) 5.664 8.452 ( 0.910 6.758 -5.074) 8.500 8.603 ( 7.249 0.009 4.798) 8.693 9.007 ( -13.663 -8.038 -1.646) 15.937 9.449 ( 1.050 -6.185 0.711) 6.313 9.930 ( -7.620 11.646 1.992) 14.060 9.978 ( -5.632 4.996 -1.934) 7.773 10.165 ( 5.929 -5.633 0.984) 8.237 10.517 ( 10.515 3.831 2.112) 11.388 11.098 ( -7.883 1.488 3.596) 8.791 11.202 ( 1.034 -1.199 0.773) 1.762 11.284 ( 1.674 5.467 -5.502) 7.935 11.398 ( 3.199 7.108 -1.365) 7.913 12.267 ( 2.036 -1.016 -2.607) 3.461 12.398 ( 5.860 -0.639 3.872) 7.053 13.084 ( -7.429 -1.815 -1.055) 7.720 13.413 ( 3.250 -5.863 1.554) 6.881 13.722 ( -5.790 1.249 1.027) 6.011 13.823 ( -0.284 -0.738 0.944) 1.231 17.351 ( -15.469 -7.638 -1.475) 17.315 18.063 ( -15.459 13.791 -1.175) 20.750 18.195 ( -22.228 15.935 1.135) 27.373 18.554 ( 17.825 -11.534 -1.947) 21.320 19.377 ( 18.371 13.950 0.281) 23.069 19.427 ( 17.609 16.931 1.005) 24.449 19.864 ( 0.893 -0.053 3.072) 3.199 19.885 ( 1.939 0.189 2.356) 3.057 22.386 ( -5.397 -3.308 -1.708) 6.556 22.640 ( 5.110 -8.919 -0.771) 10.309 22.937 ( -5.164 -3.647 -1.006) 6.402 23.117 ( 1.383 -7.420 -1.079) 7.624 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -35.743 -9.100 3.091) 37.012 2.087 ( -29.620 9.826 13.289) 33.919 3.408 ( -13.805 9.664 1.393) 16.909 3.465 ( -30.168 23.982 -0.128) 38.539 3.674 ( 10.635 0.022 -5.057) 11.777 3.754 ( -8.933 8.419 -1.766) 12.401 3.967 ( 3.833 -4.615 -2.584) 6.532 4.306 ( -9.037 -2.100 0.310) 9.283 4.345 ( -0.311 -5.845 0.570) 5.881 4.615 ( 7.892 -1.026 6.247) 10.118 4.666 ( 1.761 1.497 6.305) 6.715 4.918 ( 9.076 -2.105 -5.218) 10.679 5.015 ( 2.929 -3.368 -3.709) 5.803 5.358 ( 0.544 10.005 -0.894) 10.060 5.373 ( 10.732 -2.765 2.560) 11.375 5.529 ( -7.588 -2.166 -1.110) 7.969 5.716 ( -4.003 -0.587 1.256) 4.236 5.839 ( 0.127 -6.025 4.640) 7.606 6.075 ( -3.766 -0.643 0.089) 3.822 6.123 ( 6.220 -4.410 -10.042) 12.609 6.319 ( -0.699 -1.266 -6.976) 7.125 6.647 ( 0.526 1.553 -1.778) 2.418 6.739 ( 9.275 6.403 4.924) 12.299 6.918 ( -4.758 -2.532 -1.434) 5.577 7.032 ( 1.545 -5.941 -1.018) 6.223 7.076 ( 9.808 -1.115 17.720) 20.284 7.476 ( -18.024 13.433 -3.614) 22.768 7.632 ( 10.239 -5.919 2.244) 12.038 7.814 ( 0.786 4.389 -0.670) 4.508 8.252 ( 8.251 -0.004 -3.803) 9.085 8.420 ( 4.867 6.439 -0.590) 8.093 8.690 ( -1.281 0.488 -1.233) 1.844 8.779 ( -10.661 -8.062 1.856) 13.495 9.427 ( -4.266 -1.959 1.147) 4.832 9.811 ( -7.493 1.593 0.240) 7.664 9.889 ( -2.346 17.565 -1.524) 17.787 10.293 ( 7.642 -9.709 0.217) 12.358 10.681 ( 6.086 1.383 1.301) 6.375 11.010 ( -6.282 0.176 2.584) 6.795 11.173 ( 1.917 0.735 -6.885) 7.184 11.300 ( 3.383 3.176 -0.507) 4.668 11.467 ( 4.418 7.469 1.343) 8.781 12.313 ( 6.025 -1.839 -1.735) 6.534 12.527 ( 4.148 -1.530 3.378) 5.564 12.953 ( -6.273 -1.835 -1.513) 6.708 13.414 ( -4.278 -11.431 -1.197) 12.264 13.597 ( -8.664 0.458 -1.441) 8.795 13.807 ( 0.383 -0.614 -4.070) 4.134 17.153 ( -10.349 -4.160 4.984) 12.216 17.727 ( -20.203 18.056 -0.007) 27.096 17.838 ( -21.000 14.918 0.313) 25.761 18.914 ( 23.394 -19.505 -0.913) 30.472 19.656 ( 14.250 13.161 -2.419) 19.548 19.692 ( 13.940 15.587 -2.611) 21.073 19.866 ( 2.791 0.321 -6.566) 7.142 19.928 ( 3.595 1.003 0.095) 3.734 22.295 ( -6.265 -0.799 2.837) 6.923 22.731 ( 4.814 -9.474 1.698) 10.762 22.867 ( -4.644 -1.370 3.510) 5.980 23.137 ( 0.159 -7.651 2.350) 8.005 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -29.948 2.680 16.223) 34.165 1.865 ( -24.496 15.091 26.815) 39.330 2.847 ( -42.643 35.214 16.508) 57.715 3.229 ( -9.929 4.196 -5.205) 11.970 3.518 ( -13.702 14.240 -6.110) 20.685 3.869 ( 11.099 -2.375 1.012) 11.396 4.073 ( 8.553 -8.784 3.888) 12.862 4.134 ( -7.005 -2.179 0.069) 7.337 4.419 ( 6.660 -5.872 3.281) 9.466 4.726 ( 6.444 -1.172 -2.000) 6.848 4.875 ( 4.607 4.460 8.991) 11.043 4.971 ( 3.847 -4.369 -0.316) 5.830 5.030 ( 2.324 -2.982 -3.257) 4.990 5.323 ( 1.860 -0.689 -4.927) 5.312 5.515 ( -0.647 -3.496 8.839) 9.527 5.563 ( 4.432 -3.639 -1.943) 6.055 5.725 ( 2.071 1.986 7.741) 8.255 5.873 ( 5.127 -0.389 -5.709) 7.683 6.009 ( -2.738 -2.018 -1.070) 3.566 6.123 ( -2.536 -6.352 -2.397) 7.247 6.295 ( 9.854 -0.930 -4.738) 10.974 6.619 ( 0.251 4.459 -3.411) 5.620 6.790 ( -5.031 3.206 -2.040) 6.305 6.902 ( -4.596 7.088 -1.110) 8.520 6.940 ( -5.472 -0.000 0.179) 5.475 7.214 ( -5.098 5.201 1.354) 7.408 7.407 ( 8.216 7.249 3.945) 11.645 7.660 ( -6.991 -2.004 -3.712) 8.165 7.888 ( 6.263 2.624 3.795) 7.779 8.245 ( 1.739 -1.531 1.589) 2.809 8.505 ( -8.333 3.960 -8.770) 12.729 8.618 ( 9.182 -0.929 1.516) 9.353 8.772 ( 0.904 -7.847 6.208) 10.046 9.358 ( -5.487 0.063 2.073) 5.866 9.712 ( -5.286 1.353 2.008) 5.814 9.867 ( 3.218 20.652 -4.012) 21.283 10.402 ( 5.667 -11.385 -0.931) 12.752 10.737 ( 0.165 -3.740 -0.156) 3.747 10.962 ( -3.342 -0.192 2.692) 4.296 11.149 ( 4.319 7.513 -5.955) 10.515 11.363 ( 6.057 -0.577 -2.244) 6.485 11.567 ( 5.165 6.285 1.486) 8.269 12.411 ( 7.519 -3.327 -1.579) 8.372 12.614 ( 2.489 -2.249 2.326) 4.082 12.840 ( -5.388 -2.378 -1.445) 6.064 13.224 ( -16.050 -19.213 -1.641) 25.089 13.406 ( -10.109 -0.521 -3.599) 10.743 13.734 ( 0.128 0.987 -9.114) 9.168 17.117 ( -5.575 -0.491 10.346) 11.763 17.436 ( -15.885 16.393 3.555) 23.102 17.522 ( -16.043 14.543 -0.272) 21.656 19.249 ( 18.260 -19.159 -4.058) 26.776 19.670 ( 2.463 1.715 -15.728) 16.012 19.752 ( 5.288 3.590 -10.364) 12.176 19.963 ( 10.939 5.174 1.054) 12.147 20.074 ( 10.401 7.923 2.167) 13.253 22.244 ( -6.661 2.394 7.091) 10.019 22.824 ( 2.918 -6.091 2.254) 7.120 22.871 ( -2.110 0.498 6.572) 6.921 23.174 ( -0.547 -5.329 3.860) 6.602 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -5.466 19.606 27.853) 34.497 1.819 ( -19.715 27.270 23.168) 40.855 2.611 ( -23.761 22.521 45.741) 56.249 2.991 ( -6.248 7.030 -11.555) 14.899 3.181 ( -13.402 14.142 -11.100) 22.423 3.999 ( 8.062 -4.580 -4.569) 10.337 4.064 ( -1.925 3.558 1.796) 4.426 4.359 ( 5.840 -16.395 12.457) 21.403 4.636 ( 10.819 -8.659 8.538) 16.277 4.835 ( 5.209 1.367 -1.738) 5.659 4.899 ( 0.465 -6.555 0.950) 6.640 4.992 ( 5.443 2.241 -5.854) 8.302 5.171 ( 6.331 2.199 6.061) 9.036 5.309 ( 0.049 -9.346 -2.540) 9.685 5.547 ( -1.286 -5.800 3.204) 6.750 5.615 ( -4.462 -3.351 2.443) 6.091 5.755 ( -1.182 0.041 -1.830) 2.179 5.923 ( 1.438 3.112 0.071) 3.429 6.001 ( -4.429 -2.361 0.087) 5.020 6.063 ( 11.835 8.010 0.415) 14.297 6.472 ( 6.482 -7.952 -3.040) 10.700 6.512 ( -3.621 0.672 1.029) 3.824 6.658 ( -4.713 5.173 -3.187) 7.690 6.766 ( -7.090 1.913 -0.372) 7.353 6.872 ( -4.007 7.302 -4.954) 9.692 7.191 ( -0.215 3.114 -2.331) 3.896 7.427 ( 1.488 12.771 -3.301) 13.274 7.604 ( 0.465 -0.961 -2.493) 2.712 7.885 ( -0.785 10.734 -3.345) 11.270 8.236 ( -8.823 7.170 -9.913) 15.084 8.431 ( 6.479 -10.481 6.146) 13.770 8.715 ( -0.297 -3.686 5.964) 7.017 8.900 ( 4.769 -5.098 3.154) 7.660 9.310 ( -3.344 0.142 2.612) 4.245 9.680 ( -2.381 1.084 2.585) 3.678 9.848 ( 1.878 20.922 -9.760) 23.163 10.498 ( 7.652 -10.697 0.290) 13.155 10.716 ( -0.990 -6.465 -1.125) 6.636 10.943 ( -2.870 -0.965 2.935) 4.217 11.169 ( 4.340 10.135 -3.776) 11.654 11.439 ( 5.804 -1.575 -2.778) 6.625 11.636 ( 2.907 5.357 -3.801) 7.183 12.513 ( 6.345 -5.253 -1.264) 8.334 12.676 ( 3.344 -3.214 -0.521) 4.667 12.732 ( -6.990 -4.236 3.107) 8.745 12.952 ( -15.792 -18.698 8.505) 25.910 13.201 ( -7.794 -0.555 -4.585) 9.060 13.604 ( -1.118 1.077 -11.090) 11.198 17.135 ( -4.393 9.837 3.797) 11.423 17.291 ( -8.273 14.094 0.167) 16.343 17.371 ( -7.489 7.183 17.110) 20.010 19.291 ( 5.399 -3.755 -26.347) 27.155 19.598 ( 5.843 -12.222 -2.924) 13.859 19.729 ( 3.534 -3.992 -5.694) 7.800 20.137 ( 6.679 -1.808 2.060) 7.219 20.250 ( 8.438 0.253 -0.857) 8.485 22.249 ( -4.584 6.382 10.354) 12.998 22.870 ( 1.294 -1.792 -1.735) 2.810 22.928 ( -1.336 2.851 8.062) 8.655 23.184 ( -1.716 2.521 0.770) 3.145 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -3.240 27.487 19.557) 33.889 2.458 ( 2.979 27.543 17.565) 32.802 3.024 ( 3.994 11.673 -11.562) 16.908 3.175 ( -6.606 19.285 -13.985) 24.721 3.415 ( 0.034 18.141 33.433) 38.038 3.993 ( 4.582 -0.441 -2.992) 5.490 4.067 ( -3.549 -1.648 2.461) 4.622 4.247 ( 1.444 -9.934 7.510) 12.537 4.520 ( 2.012 -12.807 1.620) 13.065 4.729 ( -1.843 -13.869 -7.515) 15.881 4.812 ( 1.728 -1.641 -3.078) 3.893 4.935 ( -0.050 -11.034 -8.666) 14.031 5.134 ( 4.090 0.519 1.929) 4.551 5.222 ( -10.195 1.483 7.286) 12.619 5.489 ( 10.860 -3.163 2.241) 11.531 5.662 ( 0.485 1.472 2.702) 3.115 5.818 ( -6.113 2.435 14.962) 16.345 5.944 ( 4.159 -0.677 4.430) 6.114 6.169 ( 4.286 4.186 0.471) 6.010 6.270 ( -7.714 3.069 -4.434) 9.411 6.289 ( -1.125 1.182 -8.279) 8.438 6.567 ( 6.852 -3.487 -7.829) 10.973 6.616 ( -9.995 5.973 6.330) 13.253 6.781 ( 10.430 8.883 -1.322) 13.764 7.012 ( -3.903 12.715 -0.905) 13.331 7.171 ( -5.405 5.536 -4.152) 8.781 7.539 ( -2.452 0.824 -0.917) 2.744 7.768 ( 8.130 9.478 -5.862) 13.795 7.940 ( -1.157 -0.864 1.420) 2.025 8.223 ( -3.372 8.508 -7.474) 11.816 8.379 ( 3.153 -7.209 5.867) 9.815 8.658 ( -2.658 -4.588 -4.045) 6.669 8.944 ( 1.686 -2.158 11.664) 11.981 9.275 ( -1.418 -2.320 -0.246) 2.730 9.709 ( 0.109 2.919 1.755) 3.407 10.019 ( -3.397 12.046 -10.862) 16.573 10.444 ( 2.044 -4.203 0.360) 4.688 10.583 ( 2.705 -4.057 -3.964) 6.284 10.914 ( -1.844 -3.624 6.737) 7.869 11.300 ( 0.520 2.124 -9.753) 9.995 11.444 ( -1.089 2.337 2.561) 3.634 11.705 ( 0.879 6.421 -7.975) 10.276 12.412 ( 0.234 -10.122 1.615) 10.253 12.536 ( -2.415 -6.174 2.480) 7.078 12.650 ( 0.572 -9.719 9.281) 13.450 12.742 ( 2.773 -5.948 10.029) 11.986 13.051 ( -0.366 -0.660 -6.902) 6.943 13.377 ( -0.462 -5.769 -14.592) 15.698 17.506 ( 0.184 23.934 2.289) 24.043 17.609 ( -0.339 24.858 -2.001) 24.940 17.677 ( -0.899 7.017 24.655) 25.650 18.976 ( 3.473 -2.098 -28.707) 28.992 19.320 ( -1.094 -16.252 -0.588) 16.300 19.542 ( -1.124 -7.569 -9.506) 12.203 20.026 ( -1.454 -12.191 2.404) 12.510 20.135 ( 1.280 -11.916 -2.149) 12.176 22.522 ( 0.322 8.037 10.875) 13.526 22.855 ( 0.024 0.249 -2.380) 2.393 23.111 ( -0.277 6.103 7.902) 9.988 23.286 ( -0.218 5.433 -0.031) 5.437 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -2.351 20.215 21.287) 29.451 2.835 ( 11.342 20.462 18.182) 29.630 2.889 ( -1.450 19.458 -18.933) 27.187 3.011 ( 10.373 15.388 -12.729) 22.503 3.794 ( 2.794 3.976 10.991) 12.017 3.985 ( 0.753 -0.505 -5.520) 5.594 4.143 ( 3.152 2.327 16.417) 16.878 4.378 ( 1.736 -12.405 7.223) 14.459 4.537 ( -2.286 -12.955 -5.330) 14.194 4.592 ( 4.415 -8.841 -5.951) 11.536 4.770 ( -3.423 -6.185 -5.182) 8.764 4.877 ( 1.872 -3.318 -3.375) 5.090 4.997 ( -9.743 6.956 2.503) 12.230 5.248 ( 0.321 0.157 2.534) 2.560 5.580 ( -11.795 -0.226 -4.372) 12.582 5.644 ( 2.525 -3.684 -3.383) 5.602 5.859 ( -6.713 0.258 9.168) 11.366 5.947 ( -12.251 1.046 2.582) 12.564 6.090 ( 3.534 2.677 1.480) 4.674 6.244 ( 6.349 5.026 -0.957) 8.154 6.405 ( -1.086 5.880 -1.065) 6.074 6.459 ( 6.196 0.960 1.103) 6.366 6.663 ( 4.688 -2.739 -2.506) 5.980 6.868 ( -9.359 5.827 0.445) 11.033 6.958 ( 9.816 4.971 -0.002) 11.003 7.136 ( 1.787 10.837 0.287) 10.987 7.501 ( -0.389 5.237 1.392) 5.433 7.803 ( 6.527 4.455 -9.569) 12.411 7.971 ( -0.867 2.476 3.491) 4.367 8.111 ( -0.025 9.486 -2.563) 9.826 8.466 ( -3.364 -6.877 0.573) 7.677 8.519 ( -3.402 -4.395 -1.758) 5.830 9.117 ( 0.944 -1.819 12.081) 12.253 9.233 ( -0.516 -3.433 -4.582) 5.748 9.764 ( 2.289 5.858 4.129) 7.523 9.871 ( 0.137 11.920 -8.022) 14.368 10.438 ( -2.700 -5.335 0.518) 6.002 10.575 ( 1.253 -3.938 -3.045) 5.133 10.943 ( -6.443 -3.479 7.699) 10.625 11.175 ( -0.693 0.413 -8.260) 8.300 11.491 ( 2.398 4.269 3.709) 6.143 11.624 ( -0.628 5.365 -6.418) 8.389 12.420 ( -2.473 -8.566 3.356) 9.526 12.440 ( -5.160 -5.754 -3.282) 8.397 12.840 ( 5.951 -5.120 9.153) 12.059 12.954 ( 6.444 -5.471 2.787) 8.901 13.035 ( 7.088 -4.374 -0.370) 8.337 13.233 ( 4.078 -6.778 -13.368) 15.534 17.569 ( 3.278 21.225 5.542) 22.180 17.630 ( 6.069 23.866 -2.977) 24.805 18.024 ( 5.233 8.266 24.986) 26.833 18.657 ( 3.301 2.178 -31.915) 32.159 19.270 ( -8.286 -16.434 4.505) 18.948 19.380 ( -6.463 -11.553 -7.050) 14.998 20.040 ( -0.408 -9.218 2.499) 9.559 20.150 ( 2.473 -8.975 -2.232) 9.574 22.639 ( -1.129 4.999 9.003) 10.359 22.784 ( -2.480 1.729 -4.879) 5.739 23.182 ( -1.133 5.025 5.900) 7.832 23.256 ( -1.701 4.621 -1.407) 5.121 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 7.520 13.673 -14.257) 21.137 2.753 ( 7.963 14.667 12.919) 21.105 3.069 ( 11.633 15.778 -9.957) 21.987 3.213 ( 8.252 12.996 16.416) 22.505 3.841 ( 0.455 1.278 -0.337) 1.397 3.896 ( -1.509 -0.743 -5.313) 5.573 4.268 ( -1.661 -13.755 -7.519) 15.764 4.356 ( -2.139 -2.034 -4.628) 5.489 4.538 ( -0.167 -4.139 -4.533) 6.140 4.589 ( -5.115 -3.998 5.017) 8.205 4.713 ( 5.073 -1.253 5.601) 7.660 4.891 ( 0.263 -4.612 4.065) 6.154 5.060 ( 3.256 -1.097 -3.733) 5.073 5.120 ( -10.168 2.268 1.820) 10.576 5.378 ( -0.573 1.498 0.070) 1.606 5.526 ( -5.865 -4.198 -7.011) 10.059 5.785 ( -10.654 -1.337 5.145) 11.906 5.875 ( -3.579 -2.627 2.283) 4.992 6.197 ( -4.077 5.694 -6.444) 9.517 6.223 ( 3.199 5.442 -0.169) 6.315 6.355 ( 3.286 7.882 4.507) 9.657 6.571 ( -2.257 0.831 -7.424) 7.804 6.664 ( 4.515 0.231 -0.179) 4.524 6.868 ( 3.487 -2.229 5.244) 6.681 7.111 ( -4.376 11.556 -0.687) 12.376 7.174 ( 11.372 2.196 4.929) 12.588 7.555 ( 0.074 4.290 4.257) 6.044 7.745 ( -0.948 -0.358 -7.403) 7.472 7.969 ( 0.403 4.926 -0.943) 5.031 8.214 ( 8.089 8.768 5.768) 13.251 8.292 ( -8.059 -3.534 -2.000) 9.025 8.531 ( -1.254 -1.498 1.154) 2.269 9.111 ( -2.113 -3.020 -8.696) 9.445 9.269 ( 0.738 -3.727 7.646) 8.538 9.823 ( 3.572 7.424 -2.842) 8.715 9.891 ( 2.748 10.104 6.166) 12.151 10.352 ( -4.047 -4.621 -4.989) 7.913 10.578 ( -0.004 -3.713 2.210) 4.321 10.899 ( -7.132 -1.758 5.989) 9.477 11.100 ( 0.216 -0.250 -4.787) 4.798 11.533 ( 0.788 6.518 -5.510) 8.572 11.596 ( 1.914 4.980 3.681) 6.482 12.318 ( -5.150 -5.029 -2.433) 7.598 12.422 ( -2.555 -6.116 4.526) 8.026 12.980 ( 6.079 -2.775 -8.336) 10.684 13.054 ( 6.909 -2.691 8.091) 10.975 13.190 ( 8.471 -6.633 -5.330) 12.007 13.272 ( 7.399 -6.105 5.264) 10.942 17.712 ( 9.250 18.663 -7.206) 22.041 17.755 ( 9.289 18.916 8.107) 22.579 18.377 ( 5.682 6.643 -5.543) 10.351 18.408 ( 6.391 6.691 0.847) 9.291 19.144 ( -9.863 -12.226 -0.887) 15.733 19.215 ( -9.173 -11.799 5.876) 16.059 20.054 ( -2.046 -2.341 2.267) 3.848 20.133 ( -2.070 -1.981 -2.142) 3.577 22.643 ( -2.893 0.002 -3.414) 4.475 22.719 ( -2.346 -0.187 2.020) 3.101 23.191 ( -2.041 1.732 -1.567) 3.102 23.219 ( -1.467 1.542 1.233) 2.460 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 14.511 9.516 -21.976) 28.001 3.100 ( 11.973 11.435 -6.821) 17.907 3.196 ( 13.989 8.114 10.229) 19.135 3.469 ( -0.488 4.993 12.881) 13.824 3.837 ( 0.343 2.404 -1.591) 2.903 3.859 ( -0.678 -2.704 -2.099) 3.489 4.090 ( -3.610 -5.846 -5.882) 9.045 4.218 ( -0.877 -2.709 -5.698) 6.370 4.445 ( -3.748 1.892 -2.178) 4.730 4.647 ( -1.322 1.112 3.278) 3.706 4.779 ( -4.011 -2.724 0.490) 4.873 4.836 ( 2.567 0.832 0.310) 2.716 5.054 ( 1.513 -12.029 9.460) 15.377 5.173 ( -9.919 -8.245 -2.007) 13.053 5.247 ( 2.912 4.864 -8.146) 9.925 5.563 ( 5.321 3.433 3.031) 7.021 5.678 ( -4.543 3.229 0.177) 5.577 5.817 ( -2.418 -4.211 0.743) 4.912 6.030 ( -0.546 -0.520 -9.007) 9.039 6.193 ( -4.877 -2.602 -8.241) 9.923 6.483 ( 2.427 7.359 5.170) 9.315 6.489 ( -1.850 -1.907 1.402) 3.004 6.714 ( 1.161 0.339 3.488) 3.692 6.917 ( -2.965 -0.742 -2.342) 3.850 7.025 ( -3.642 7.643 -0.937) 8.518 7.420 ( 9.863 7.285 7.046) 14.142 7.513 ( -3.484 -3.617 -4.685) 6.868 7.672 ( -1.782 0.996 -2.473) 3.207 7.946 ( -2.268 4.567 -1.571) 5.336 8.195 ( -3.810 3.212 2.768) 5.701 8.474 ( 10.209 6.143 8.166) 14.445 8.505 ( 0.492 3.904 -1.020) 4.065 8.959 ( -2.139 -3.324 -9.887) 10.648 9.341 ( -0.999 -6.411 4.650) 7.982 9.881 ( 5.764 4.809 -1.114) 7.589 9.985 ( 0.609 8.800 3.497) 9.489 10.246 ( -1.893 -0.638 -2.306) 3.051 10.589 ( -5.546 -2.206 5.291) 7.977 10.879 ( -1.424 0.481 4.152) 4.416 11.064 ( 0.729 -0.862 -1.585) 1.946 11.513 ( 4.096 6.424 -4.574) 8.887 11.641 ( -0.394 6.711 0.833) 6.774 12.217 ( -4.437 -3.245 -0.829) 5.559 12.442 ( -1.864 -4.446 4.663) 6.707 12.997 ( 6.166 -1.840 -6.491) 9.140 13.210 ( 5.872 -4.331 -0.149) 7.298 13.331 ( 8.247 -2.848 5.788) 10.470 13.453 ( 4.796 -3.566 7.428) 9.533 17.708 ( 7.167 5.651 -16.852) 19.165 18.062 ( 14.380 17.376 9.944) 24.650 18.363 ( 15.051 17.115 -10.528) 25.105 18.533 ( -7.803 -6.525 0.701) 10.196 19.093 ( -0.486 -0.653 13.281) 13.306 19.203 ( -6.136 -5.215 13.658) 15.855 19.987 ( -7.368 4.805 -2.651) 9.187 20.039 ( -7.963 6.866 2.308) 10.765 22.549 ( -0.813 -2.950 -6.132) 6.853 22.678 ( -3.766 -5.786 -0.970) 6.972 23.119 ( -1.187 -2.091 -5.172) 5.704 23.192 ( -2.086 -2.986 -1.434) 3.914 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 18.328 0.444 -16.363) 24.574 3.169 ( 13.774 10.394 -13.190) 21.719 3.394 ( -12.753 0.435 -1.683) 12.871 3.557 ( 11.836 3.904 8.922) 15.328 3.736 ( -5.443 -7.337 -9.796) 13.395 3.887 ( 4.598 3.323 4.779) 7.417 4.108 ( -2.585 6.348 8.457) 10.886 4.298 ( 7.993 -6.251 9.545) 13.931 4.373 ( -2.714 3.213 -0.438) 4.228 4.600 ( -0.473 0.363 -2.855) 2.916 4.773 ( -3.429 -0.272 0.618) 3.495 4.819 ( -1.184 -3.023 -8.375) 8.983 5.024 ( -5.684 -2.537 4.796) 7.858 5.178 ( 1.262 -2.138 -1.431) 2.865 5.258 ( 9.054 -4.149 4.755) 11.037 5.495 ( -9.332 0.988 1.453) 9.496 5.716 ( 5.708 -2.791 -2.401) 6.792 5.843 ( -4.127 -7.711 1.675) 8.905 5.932 ( -5.901 -4.894 -9.946) 12.558 6.036 ( 6.244 2.774 -0.261) 6.838 6.449 ( -5.707 -4.711 5.840) 9.427 6.578 ( 4.431 -2.604 -1.081) 5.252 6.771 ( -1.638 2.998 1.018) 3.565 6.814 ( 0.117 3.338 -4.121) 5.304 6.909 ( -6.158 6.653 -4.136) 9.965 7.371 ( -4.254 -5.364 -7.955) 10.495 7.547 ( -4.693 -2.039 -9.683) 10.952 7.670 ( 4.396 7.328 7.247) 11.205 7.851 ( -3.031 10.446 -1.172) 10.940 8.227 ( -0.138 8.930 7.530) 11.682 8.507 ( 3.190 5.698 -0.950) 6.599 8.733 ( 5.405 5.315 4.689) 8.914 8.844 ( 2.806 -6.390 -5.467) 8.865 9.331 ( -4.215 -9.073 0.366) 10.011 9.961 ( 4.632 1.387 -1.128) 4.965 10.032 ( 3.331 3.925 1.861) 5.474 10.232 ( -1.005 7.767 2.402) 8.192 10.505 ( -10.565 0.344 4.398) 11.450 10.954 ( 2.936 1.737 5.706) 6.648 11.106 ( 3.249 0.530 2.556) 4.168 11.537 ( 4.509 6.375 -5.287) 9.430 11.607 ( -1.710 6.964 -2.491) 7.591 12.157 ( -2.528 -1.078 1.087) 2.956 12.449 ( -2.859 -3.037 2.422) 4.823 13.030 ( 5.380 -1.525 -3.831) 6.779 13.274 ( 1.438 -4.575 0.225) 4.801 13.540 ( 5.566 -0.560 8.781) 10.411 13.612 ( 3.622 -0.940 7.528) 8.407 17.624 ( 9.024 -2.330 -17.559) 19.879 18.240 ( -16.103 -12.305 -7.924) 21.760 18.451 ( 17.123 17.017 10.302) 26.247 18.612 ( 19.270 20.971 -1.186) 28.505 19.263 ( -4.616 0.871 17.816) 18.425 19.378 ( 4.826 5.703 15.805) 17.482 19.761 ( -13.765 10.814 -4.046) 17.966 19.909 ( -11.648 12.862 3.181) 17.642 22.475 ( 0.731 -5.756 -6.468) 8.688 22.577 ( -3.415 -10.322 -5.342) 12.114 23.040 ( 0.239 -5.694 -6.557) 8.688 23.119 ( -2.205 -6.363 -4.476) 8.086 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 18.623 -6.697 -7.481) 21.157 3.149 ( -9.424 0.625 -4.501) 10.463 3.259 ( 5.239 4.987 -8.243) 10.966 3.427 ( -7.925 -4.444 -13.690) 16.431 3.831 ( 8.851 5.513 6.300) 12.183 4.034 ( 1.456 2.054 9.174) 9.514 4.140 ( -6.265 9.802 8.144) 14.201 4.342 ( -0.848 -0.041 2.454) 2.597 4.517 ( 3.156 -4.375 -2.372) 5.893 4.566 ( 4.181 -1.831 -5.380) 7.055 4.679 ( -3.420 -2.196 -6.384) 7.568 4.789 ( 4.826 -3.702 2.868) 6.724 4.918 ( -2.155 2.766 -2.018) 4.046 5.254 ( -2.928 0.627 4.490) 5.396 5.403 ( -6.452 -6.900 2.667) 9.816 5.464 ( 0.336 -5.307 14.221) 15.183 5.650 ( -0.685 -6.832 -6.013) 9.127 5.801 ( 6.352 -7.557 1.218) 9.947 5.947 ( 6.895 -9.335 2.010) 11.778 6.141 ( 2.131 5.615 3.098) 6.757 6.407 ( -9.129 -8.883 4.136) 13.392 6.586 ( 0.989 1.457 -8.899) 9.071 6.698 ( 1.933 4.116 -9.313) 10.364 6.767 ( 0.568 2.894 -5.935) 6.627 6.835 ( -2.835 8.853 5.944) 11.034 7.239 ( 1.375 -0.317 -6.530) 6.681 7.316 ( -8.288 -1.761 -9.131) 12.457 7.523 ( -8.329 2.873 -10.407) 13.636 8.028 ( 7.693 8.813 9.278) 14.931 8.332 ( -0.708 12.041 10.882) 16.245 8.563 ( 5.267 4.334 -3.613) 7.718 8.678 ( -4.394 1.928 -4.835) 6.812 8.988 ( 7.882 -5.445 3.409) 10.168 9.220 ( -6.436 -8.948 -2.453) 11.292 10.033 ( 3.779 0.184 1.096) 3.939 10.118 ( 3.257 1.323 0.869) 3.621 10.259 ( 0.912 8.779 3.414) 9.464 10.366 ( -10.150 3.697 2.990) 11.209 11.087 ( 2.845 3.342 7.475) 8.668 11.205 ( 2.081 3.347 5.356) 6.650 11.501 ( -0.515 6.481 -5.702) 8.648 11.560 ( 1.657 6.091 -5.789) 8.565 12.169 ( 1.353 0.490 2.777) 3.128 12.392 ( -4.533 -1.487 -1.175) 4.913 13.099 ( 5.093 -3.013 0.519) 5.940 13.258 ( -3.136 -3.930 -0.158) 5.030 13.704 ( 2.027 0.769 7.706) 8.005 13.741 ( 1.621 0.654 6.497) 6.728 17.636 ( 13.717 -7.338 -12.295) 19.828 17.857 ( -16.914 -11.250 -8.596) 22.058 18.836 ( 14.571 18.612 7.180) 24.703 18.956 ( 15.918 20.792 7.539) 27.250 19.360 ( -6.197 9.791 10.411) 15.577 19.425 ( -15.676 16.801 -2.054) 23.070 19.655 ( 4.498 5.002 10.461) 12.438 19.766 ( -8.750 9.426 5.654) 14.049 22.417 ( 1.401 -9.083 -6.581) 11.304 22.454 ( -1.986 -12.129 -7.249) 14.269 22.981 ( 1.673 -7.827 -5.932) 9.963 23.021 ( -2.405 -7.604 -5.410) 9.637 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -22.207 -7.646 -6.881) 24.474 2.973 ( -15.143 5.313 -2.890) 16.306 3.104 ( 16.867 -8.205 -0.962) 18.781 3.435 ( 14.656 1.034 -12.986) 19.609 3.947 ( -5.460 9.213 6.734) 12.650 4.125 ( 1.858 -1.446 6.916) 7.306 4.150 ( -3.861 5.150 5.617) 8.543 4.295 ( -6.282 -1.167 -3.292) 7.187 4.482 ( 2.486 -0.045 -5.819) 6.328 4.603 ( 3.324 0.877 0.532) 3.479 4.665 ( 6.934 2.815 -4.084) 8.525 4.718 ( 0.399 2.961 -4.165) 5.126 5.060 ( 0.772 -2.373 5.816) 6.329 5.161 ( -10.016 -16.294 1.376) 19.176 5.346 ( 4.612 7.384 2.419) 9.035 5.602 ( 0.804 -7.338 -4.747) 8.777 5.701 ( 0.259 -8.387 18.060) 19.914 5.947 ( 1.808 -4.735 3.426) 6.118 6.018 ( -3.512 -3.852 0.897) 5.289 6.256 ( -4.663 -5.920 0.889) 7.589 6.301 ( 11.532 1.193 3.971) 12.255 6.386 ( -5.935 1.884 -15.177) 16.405 6.562 ( -3.445 4.409 -7.485) 9.345 6.806 ( 5.516 -0.115 -5.687) 7.923 6.860 ( -3.758 2.600 7.755) 9.001 7.135 ( -2.353 -0.611 -2.159) 3.252 7.267 ( -0.009 3.704 -8.910) 9.649 7.350 ( 11.574 1.671 -4.279) 12.453 8.192 ( -1.503 4.710 8.892) 10.174 8.451 ( -3.127 4.236 -4.552) 6.960 8.475 ( -1.070 8.989 2.878) 9.499 8.625 ( 1.791 6.738 -1.397) 7.111 9.058 ( -6.538 -6.712 -0.085) 9.370 9.167 ( 6.909 -8.033 -0.066) 10.596 10.078 ( -0.874 0.158 1.653) 1.876 10.109 ( -3.959 -0.974 -2.063) 4.569 10.248 ( -5.234 8.970 4.154) 11.185 10.396 ( 7.878 4.603 2.740) 9.527 11.197 ( 0.170 3.835 5.667) 6.845 11.255 ( -5.637 5.700 6.078) 10.060 11.438 ( 2.509 6.365 -6.790) 9.639 11.519 ( 2.483 5.988 -5.189) 8.303 12.259 ( 4.308 0.302 3.567) 5.602 12.296 ( -3.508 -0.641 -2.359) 4.276 13.151 ( -4.903 -3.743 0.485) 6.188 13.220 ( 2.908 -4.778 1.058) 5.693 13.782 ( -1.858 1.236 5.149) 5.612 13.807 ( -1.094 1.039 3.882) 4.165 17.496 ( -14.837 -7.852 -6.071) 17.851 17.799 ( 18.232 -11.714 -6.424) 22.603 18.956 ( -14.503 23.027 6.029) 27.874 18.987 ( -18.971 22.482 -2.187) 29.498 19.368 ( 11.029 13.975 5.981) 18.781 19.469 ( 15.004 17.852 3.417) 23.569 19.785 ( -1.265 1.267 9.767) 9.930 19.833 ( 4.828 5.102 3.971) 8.069 22.347 ( -1.078 -11.143 -5.690) 12.558 22.375 ( 2.038 -12.921 -5.816) 14.315 22.919 ( -2.617 -7.063 -4.229) 8.638 22.959 ( 2.330 -7.808 -3.664) 8.934 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -27.088 -3.408 -3.564) 27.533 2.664 ( -20.501 11.106 1.315) 23.353 3.400 ( 13.766 -6.330 2.189) 15.309 3.503 ( 10.435 -2.430 -7.918) 13.323 3.861 ( -8.018 5.792 -3.199) 10.395 4.112 ( -5.183 2.189 4.066) 6.942 4.163 ( -5.977 -5.250 -0.871) 8.003 4.231 ( 0.782 -0.996 3.994) 4.190 4.458 ( -0.976 -0.749 1.130) 1.671 4.555 ( -3.440 9.371 0.233) 9.985 4.738 ( 2.371 11.541 -2.580) 12.061 4.855 ( 4.716 0.213 -5.635) 7.351 4.948 ( 4.964 -2.435 -4.519) 7.140 5.172 ( -3.673 0.187 9.741) 10.412 5.433 ( -3.559 0.702 5.226) 6.362 5.571 ( 0.875 -5.269 1.683) 5.600 5.770 ( -3.732 -2.618 -0.154) 4.561 5.856 ( -2.873 -0.616 -6.113) 6.783 6.031 ( -2.459 -2.496 -3.318) 4.825 6.138 ( -0.494 -10.158 -12.651) 16.232 6.311 ( 5.575 -4.353 4.673) 8.478 6.471 ( 4.498 0.375 4.246) 6.197 6.585 ( 8.070 3.269 6.195) 10.686 6.761 ( -2.808 -3.577 -2.134) 5.024 6.899 ( -2.901 -0.594 8.756) 9.244 7.108 ( -1.892 2.805 -7.002) 7.776 7.233 ( 10.812 -4.746 -0.708) 11.829 7.647 ( 19.423 0.576 1.278) 19.473 8.166 ( -9.282 8.718 -7.911) 14.992 8.237 ( -6.961 8.790 4.930) 12.248 8.566 ( -1.435 3.994 3.927) 5.782 8.640 ( 3.024 4.456 -2.193) 5.814 8.933 ( -6.902 -0.597 -0.819) 6.976 9.282 ( 5.582 -9.492 0.277) 11.015 9.974 ( -7.468 0.553 -1.740) 7.688 10.067 ( -2.281 -2.348 1.120) 3.460 10.245 ( -0.677 10.974 2.229) 11.218 10.565 ( 7.816 0.937 2.043) 8.133 11.166 ( -8.775 4.488 2.114) 10.081 11.206 ( -2.630 2.093 -0.598) 3.414 11.420 ( 3.148 7.444 -4.110) 9.067 11.552 ( 4.455 7.710 -0.577) 8.923 12.244 ( 0.452 -0.962 -1.664) 1.974 12.378 ( 4.298 -1.361 3.713) 5.841 13.034 ( -7.025 -3.007 -1.256) 7.745 13.271 ( -0.875 -7.553 1.377) 7.728 13.753 ( -6.073 1.699 1.194) 6.418 13.807 ( -2.029 -0.683 1.078) 2.397 17.236 ( -10.540 -3.341 -1.347) 11.139 18.072 ( 18.484 -13.140 -1.543) 22.731 18.589 ( -22.457 21.772 -1.785) 31.330 18.673 ( -20.767 23.469 0.923) 31.352 19.631 ( 14.037 9.474 1.304) 16.985 19.813 ( 13.232 15.719 8.827) 22.362 19.865 ( 0.719 0.359 3.099) 3.201 19.914 ( 5.790 6.314 -5.056) 9.948 22.284 ( -1.096 -7.375 -1.809) 7.672 22.369 ( 3.406 -16.154 -2.126) 16.645 22.845 ( -2.076 -4.941 -1.111) 5.473 22.972 ( 2.236 -6.274 -0.685) 6.695 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -22.483 8.867 5.311) 24.745 2.360 ( -22.773 16.114 11.242) 30.077 3.549 ( 6.704 5.117 -1.986) 8.664 3.646 ( -1.139 1.797 -5.471) 5.870 3.664 ( 1.156 -9.286 2.136) 9.598 4.017 ( -7.765 7.510 -5.342) 12.051 4.042 ( -10.845 6.176 0.834) 12.509 4.257 ( -2.834 0.329 3.711) 4.681 4.340 ( -14.727 12.984 -1.502) 19.691 4.559 ( 5.105 -3.286 10.098) 11.783 4.721 ( -2.214 3.960 -0.351) 4.550 4.852 ( 6.335 -4.800 -2.226) 8.254 4.963 ( 1.342 0.407 -6.944) 7.084 5.309 ( 7.808 -4.838 1.271) 9.273 5.475 ( 1.611 4.897 7.187) 8.845 5.603 ( -4.846 1.533 -16.434) 17.202 5.651 ( 0.295 -3.261 5.592) 6.480 5.769 ( -2.704 0.217 5.461) 6.097 5.974 ( 4.095 -5.030 -10.342) 12.208 6.014 ( 3.078 -4.920 -5.107) 7.730 6.376 ( -3.882 2.255 2.856) 5.320 6.688 ( 4.526 3.235 -2.507) 6.102 6.735 ( 7.014 -15.735 2.905) 17.471 6.813 ( 9.359 -0.362 5.821) 11.028 7.003 ( 0.144 3.673 -2.596) 4.500 7.024 ( -0.036 -2.039 17.105) 17.226 7.451 ( 12.053 -8.400 2.652) 14.929 7.784 ( -11.073 10.913 -5.800) 16.594 7.948 ( -0.617 8.997 -2.543) 9.370 8.246 ( 5.320 0.473 -0.856) 5.409 8.554 ( -0.775 6.690 0.392) 6.746 8.667 ( 0.355 1.944 2.553) 3.228 8.795 ( -7.475 2.930 -3.226) 8.653 9.348 ( 1.105 -6.266 0.981) 6.438 9.838 ( -6.666 1.574 -0.550) 6.871 10.053 ( 0.590 -4.319 0.009) 4.359 10.266 ( 1.044 9.919 0.505) 9.987 10.672 ( 1.909 -1.799 1.029) 2.818 11.045 ( -6.946 3.027 1.040) 7.648 11.166 ( 3.940 -0.170 -5.325) 6.627 11.430 ( 1.723 8.095 -1.880) 8.488 11.626 ( 4.003 8.050 0.894) 9.035 12.267 ( 3.845 -2.440 -1.427) 4.772 12.478 ( 2.566 -3.338 3.347) 5.379 12.902 ( -6.537 -2.937 -1.569) 7.336 13.181 ( -11.549 -10.448 -0.117) 15.574 13.615 ( -9.421 1.098 -2.135) 9.722 13.771 ( -0.865 -2.649 -3.217) 4.256 17.123 ( -5.344 1.328 4.897) 7.369 18.153 ( -16.285 21.686 -0.100) 27.120 18.234 ( -19.304 21.248 0.638) 28.715 18.534 ( 13.816 -13.872 -1.335) 19.624 19.824 ( 5.143 3.356 -3.732) 7.186 19.862 ( 3.943 -0.366 -6.219) 7.373 19.899 ( 3.970 2.585 -6.634) 8.152 20.090 ( 9.799 12.949 2.250) 16.394 22.269 ( -1.404 -1.965 2.846) 3.733 22.460 ( 6.614 -14.644 4.002) 16.559 22.835 ( -0.548 -1.440 3.409) 3.741 23.019 ( 2.174 -4.085 2.439) 5.231 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -8.001 25.086 14.993) 30.301 2.226 ( -17.469 20.009 24.776) 36.323 3.378 ( -9.809 9.153 -7.988) 15.614 3.567 ( -24.855 23.941 2.704) 34.615 3.762 ( -10.054 13.603 1.502) 16.982 3.800 ( 9.625 -6.819 3.874) 12.416 3.881 ( -0.046 1.001 -2.623) 2.808 4.233 ( -1.802 6.795 -0.455) 7.045 4.273 ( 3.099 -7.515 1.940) 8.358 4.693 ( 3.480 -3.527 -0.875) 5.032 4.839 ( 4.848 -7.720 9.004) 12.813 4.855 ( -0.509 -1.634 1.744) 2.444 4.967 ( 5.217 -3.670 -1.871) 6.648 5.325 ( -4.479 -1.247 -12.537) 13.372 5.410 ( -0.315 -7.439 -0.102) 7.446 5.500 ( -0.004 -2.194 0.111) 2.197 5.722 ( -2.902 -1.529 6.813) 7.561 5.893 ( 14.398 5.315 0.703) 15.364 5.971 ( 2.417 1.700 -1.691) 3.405 6.060 ( 3.139 -2.994 -0.727) 4.398 6.344 ( 1.314 2.422 -0.856) 2.885 6.686 ( 2.018 2.753 -2.632) 4.311 6.795 ( -3.566 -0.349 0.984) 3.715 6.914 ( -2.850 -2.387 -0.815) 3.806 7.049 ( 7.128 4.752 2.647) 8.967 7.317 ( 4.670 -3.989 5.389) 8.171 7.475 ( -9.199 6.724 -1.578) 11.503 7.671 ( 5.569 -0.816 4.758) 7.370 7.898 ( 0.302 5.177 2.254) 5.655 8.262 ( -2.596 1.400 -5.169) 5.951 8.599 ( -4.243 3.236 -6.484) 8.398 8.621 ( 4.823 0.875 -1.402) 5.098 8.722 ( -0.221 2.944 5.795) 6.503 9.342 ( -2.955 -2.334 1.378) 4.010 9.748 ( -4.639 2.171 1.369) 5.301 10.118 ( 7.199 -5.630 0.910) 9.184 10.273 ( 1.378 9.079 -3.853) 9.958 10.655 ( -3.019 -3.996 -0.553) 5.039 10.968 ( -3.729 0.939 0.519) 3.881 11.232 ( 10.929 0.242 -6.180) 12.558 11.431 ( 1.195 7.303 -1.853) 7.629 11.707 ( 4.189 7.136 0.944) 8.328 12.321 ( 4.437 -5.153 -1.633) 6.993 12.544 ( 1.517 -4.659 2.486) 5.494 12.768 ( -8.709 -4.571 -1.845) 10.007 12.901 ( -20.509 -11.433 2.814) 23.649 13.405 ( -10.338 0.227 -4.410) 11.242 13.694 ( -0.562 -4.029 -8.166) 9.123 17.169 ( -0.594 5.478 10.957) 12.264 17.850 ( -17.918 24.022 2.174) 30.047 17.928 ( -15.734 24.688 -0.931) 29.290 18.825 ( 17.794 -21.912 -0.459) 28.231 19.694 ( 0.366 1.023 -18.324) 18.356 19.781 ( 2.974 -0.122 -14.895) 15.190 19.982 ( 3.031 -3.750 2.024) 5.230 20.192 ( 2.208 0.839 -1.278) 2.686 22.305 ( -1.002 3.344 6.757) 7.606 22.662 ( 8.738 -7.938 5.692) 13.106 22.903 ( 0.749 2.418 7.289) 7.716 23.110 ( 3.449 -1.448 5.293) 6.482 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.547 31.699 19.320) 37.695 2.329 ( -9.951 23.303 26.594) 36.733 3.118 ( -10.436 16.227 -0.614) 19.303 3.263 ( -16.728 23.899 9.806) 30.776 3.502 ( -11.139 16.465 -9.397) 21.988 3.927 ( 5.457 -1.185 -0.830) 5.645 4.030 ( 3.743 -12.243 7.400) 14.787 4.200 ( -1.037 6.111 -0.357) 6.209 4.415 ( 6.883 -12.106 4.552) 14.651 4.755 ( 0.747 -7.088 -0.639) 7.156 4.808 ( 4.748 -4.290 -1.660) 6.611 5.016 ( 3.194 -10.542 -3.534) 11.568 5.027 ( 2.746 -0.501 -1.413) 3.129 5.212 ( -4.242 -1.346 9.219) 10.237 5.360 ( 1.996 -9.695 -0.496) 9.911 5.588 ( 3.656 -0.389 3.404) 5.011 5.746 ( 0.039 -1.555 3.420) 3.757 5.947 ( -5.767 2.467 2.521) 6.761 6.057 ( 2.293 3.080 3.087) 4.927 6.195 ( 13.272 2.837 -0.414) 13.578 6.443 ( 11.579 6.060 -1.550) 13.160 6.599 ( -12.231 6.872 -4.898) 14.859 6.672 ( -4.146 0.587 -6.870) 8.045 6.810 ( -4.793 1.922 0.570) 5.196 7.117 ( -3.768 12.557 -3.970) 13.698 7.239 ( 0.224 2.722 0.100) 2.733 7.539 ( 2.259 -6.428 2.516) 7.263 7.714 ( 1.731 13.173 -0.759) 13.308 8.004 ( -2.327 0.447 -1.766) 2.955 8.196 ( 4.034 -9.428 5.803) 11.783 8.411 ( -4.718 8.741 -7.983) 12.743 8.690 ( 1.301 -1.712 -0.695) 2.260 8.810 ( 2.633 -2.031 5.720) 6.616 9.304 ( -3.081 -1.321 1.385) 3.627 9.709 ( -2.283 1.999 1.621) 3.440 10.187 ( -3.245 3.344 -5.856) 7.483 10.316 ( 13.440 2.143 -2.239) 13.793 10.599 ( -1.085 -4.902 -1.923) 5.376 10.915 ( -3.806 -1.359 1.429) 4.286 11.328 ( 8.614 2.891 -7.858) 12.013 11.436 ( 0.873 3.782 -0.196) 3.886 11.762 ( 3.505 6.616 -4.953) 8.977 12.372 ( 3.312 -8.189 -0.492) 8.847 12.529 ( -14.791 -10.111 9.454) 20.258 12.611 ( 0.488 -5.785 3.385) 6.720 12.718 ( -8.608 -6.493 3.843) 11.447 13.192 ( -7.223 -0.223 -5.758) 9.240 13.557 ( -1.357 -4.826 -12.278) 13.262 17.346 ( 3.569 10.148 13.984) 17.643 17.637 ( -13.192 21.075 6.762) 25.766 17.708 ( -8.562 24.671 -1.385) 26.151 19.056 ( 11.908 -18.925 -5.414) 23.006 19.450 ( -0.215 -1.645 -20.755) 20.821 19.657 ( 2.484 -3.190 -13.243) 13.847 20.021 ( -0.778 -9.798 2.231) 10.079 20.168 ( -1.427 -8.610 -2.100) 8.976 22.394 ( 0.028 7.193 9.659) 12.043 22.823 ( 4.726 -2.745 1.437) 5.651 23.011 ( 0.503 5.151 8.552) 9.996 23.237 ( 3.687 2.359 3.801) 5.797 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -4.272 22.041 13.056) 25.972 2.952 ( 1.508 21.734 15.010) 26.456 3.225 ( 0.521 8.078 -5.976) 10.062 3.507 ( -2.482 9.772 -2.740) 10.448 3.646 ( 5.048 5.770 -0.325) 7.674 3.877 ( 1.857 -11.016 3.548) 11.721 3.999 ( 3.293 -1.425 -3.614) 5.093 4.225 ( -2.624 0.682 -2.463) 3.663 4.313 ( -1.058 -7.600 3.692) 8.515 4.433 ( -4.129 -13.757 -7.683) 16.289 4.744 ( -1.535 -2.023 -3.048) 3.967 4.848 ( 2.204 -0.475 -4.072) 4.654 5.212 ( 4.675 9.788 10.773) 15.288 5.284 ( -9.336 4.099 13.015) 16.533 5.487 ( 11.445 2.593 7.471) 13.912 5.629 ( 2.196 -3.940 9.319) 10.353 5.876 ( -4.017 3.318 11.815) 12.913 5.950 ( 4.507 1.513 -0.118) 4.755 6.227 ( 7.812 2.115 -0.178) 8.095 6.272 ( -8.197 0.850 -3.018) 8.776 6.467 ( -7.551 11.001 -13.538) 19.008 6.522 ( 3.994 -0.923 -9.627) 10.463 6.745 ( -8.782 6.161 5.005) 11.837 6.923 ( 8.238 4.437 0.109) 9.357 7.238 ( -0.338 8.905 0.141) 8.912 7.291 ( -9.073 4.319 3.137) 10.527 7.479 ( 1.651 -4.173 1.930) 4.886 7.758 ( 4.339 -9.347 -9.071) 13.729 7.994 ( -1.762 3.676 0.853) 4.164 8.148 ( 7.671 -8.557 0.897) 11.527 8.438 ( -3.013 6.290 -4.941) 8.547 8.570 ( -1.297 -2.429 -5.472) 6.126 8.928 ( 0.546 0.276 9.977) 9.996 9.197 ( -1.201 -5.523 -1.198) 5.778 9.808 ( -0.559 6.647 6.538) 9.340 10.102 ( -2.247 -1.903 2.812) 4.072 10.452 ( -1.847 1.164 -1.044) 2.420 10.599 ( 6.450 5.530 -8.970) 12.355 10.841 ( -2.675 -1.526 1.966) 3.654 11.261 ( 0.239 -4.371 -10.830) 11.681 11.549 ( -0.719 6.307 1.130) 6.447 11.822 ( 1.851 4.116 -8.897) 9.976 12.205 ( -2.461 -8.562 3.895) 9.723 12.414 ( -2.160 -6.237 -0.426) 6.614 12.494 ( 1.762 -5.053 11.341) 12.540 12.627 ( 2.629 -5.743 9.833) 11.687 13.044 ( -0.169 0.154 -9.129) 9.132 13.249 ( -0.506 -6.399 -15.225) 16.523 17.856 ( -0.045 10.716 21.552) 24.069 18.049 ( -0.075 28.799 2.687) 28.925 18.166 ( -0.591 29.069 -2.359) 29.170 18.779 ( 3.018 -16.614 -0.646) 16.898 19.157 ( -1.192 -0.177 -21.552) 21.585 19.405 ( -1.342 -6.083 -16.195) 17.352 19.717 ( -1.173 -18.271 2.432) 18.469 19.831 ( 1.438 -18.127 -2.317) 18.331 22.655 ( 0.361 5.248 8.614) 10.093 22.841 ( 0.165 -1.394 1.032) 1.743 23.238 ( -0.339 5.960 7.542) 9.619 23.365 ( -0.219 2.316 2.447) 3.376 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -6.004 18.391 14.033) 23.900 3.189 ( 2.327 11.976 6.785) 13.960 3.223 ( 6.803 13.477 3.287) 15.451 3.342 ( 1.540 17.547 -15.644) 23.559 3.760 ( 0.047 -3.802 1.208) 3.990 3.975 ( 4.494 -4.262 -9.692) 11.502 4.050 ( 1.283 -6.844 2.764) 7.492 4.164 ( 6.868 -9.143 1.065) 11.485 4.300 ( -2.530 -9.750 1.634) 10.205 4.445 ( 6.720 -7.681 4.994) 11.362 4.684 ( -1.628 -1.455 -1.727) 2.784 4.841 ( 4.012 -1.992 -6.475) 7.873 5.152 ( -16.005 7.734 5.393) 18.575 5.362 ( -6.235 9.514 12.997) 17.271 5.562 ( -9.887 -1.867 -5.595) 11.513 5.642 ( -5.063 3.353 1.776) 6.327 5.956 ( -2.362 6.211 1.129) 6.740 5.960 ( -8.600 4.816 -1.016) 9.909 6.162 ( 7.641 4.098 3.655) 9.409 6.326 ( 8.383 3.835 1.367) 9.320 6.454 ( 13.811 0.956 0.238) 13.847 6.519 ( 1.657 2.517 -9.028) 9.518 6.660 ( -6.827 3.209 7.563) 10.682 6.952 ( -4.009 1.661 -4.959) 6.589 7.082 ( -7.360 6.121 3.997) 10.374 7.329 ( -1.504 4.290 5.389) 7.050 7.475 ( -1.705 -4.832 1.521) 5.345 7.747 ( 4.484 -8.510 -11.672) 15.125 8.025 ( 4.050 2.736 2.949) 5.708 8.218 ( 3.664 -2.440 -5.917) 7.375 8.395 ( -0.542 2.587 1.569) 3.073 8.478 ( -0.908 1.449 -2.639) 3.145 9.065 ( 0.920 -2.904 9.230) 9.719 9.154 ( -0.393 -4.364 -4.020) 5.947 9.909 ( 0.786 7.709 9.639) 12.368 10.073 ( 0.273 5.848 -3.944) 7.059 10.382 ( -3.819 0.600 -2.179) 4.438 10.562 ( 0.942 2.700 -5.010) 5.769 10.859 ( -3.758 -3.802 6.395) 8.335 11.134 ( 0.760 -4.216 -9.083) 10.042 11.597 ( 2.715 5.984 4.181) 7.788 11.739 ( -0.027 5.369 -7.745) 9.424 12.234 ( -1.239 -9.042 5.437) 10.623 12.307 ( -3.862 -7.195 -4.385) 9.269 12.746 ( 7.262 -3.435 12.216) 14.620 12.838 ( 7.422 -5.283 8.609) 12.534 12.982 ( 5.969 -1.650 -9.084) 10.994 13.101 ( 5.039 -5.857 -14.351) 16.298 17.979 ( -6.529 16.803 16.870) 24.689 18.153 ( 3.320 26.464 -4.781) 27.097 18.294 ( 13.405 19.920 9.599) 25.858 18.684 ( 1.391 -1.533 -17.717) 17.838 18.994 ( -3.804 -8.303 0.672) 9.158 19.170 ( -5.488 -9.152 -12.810) 16.672 19.779 ( 4.745 -16.371 2.558) 17.235 19.888 ( 7.554 -16.679 -2.537) 18.485 22.719 ( -3.556 3.040 6.052) 7.650 22.801 ( -4.065 0.119 -1.509) 4.338 23.282 ( -3.601 4.498 5.357) 7.868 23.336 ( -4.404 2.997 0.180) 5.330 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 2.707 14.589 5.206) 15.725 3.122 ( 1.285 18.905 -5.817) 19.822 3.345 ( 7.252 10.299 -1.348) 12.668 3.443 ( 2.868 9.990 9.738) 14.242 3.739 ( -1.128 -7.171 0.819) 7.305 3.858 ( 1.148 -4.383 -11.281) 12.156 4.005 ( 0.318 -10.306 -5.721) 11.792 4.268 ( -0.917 -6.980 -2.303) 7.407 4.455 ( 9.258 -5.166 7.960) 13.257 4.555 ( -1.312 -0.276 -2.026) 2.429 4.666 ( 1.599 -0.317 0.985) 1.905 4.807 ( -0.715 -2.996 1.968) 3.656 5.006 ( -10.776 -2.277 1.061) 11.065 5.213 ( -8.101 4.409 -2.299) 9.505 5.420 ( -5.050 -1.724 0.544) 5.364 5.563 ( -1.397 4.303 1.179) 4.675 5.756 ( -7.991 0.884 -2.281) 8.357 5.916 ( -1.829 7.174 -3.317) 8.112 6.275 ( -4.662 3.564 -0.541) 5.894 6.335 ( -7.825 4.832 -6.144) 11.059 6.512 ( 7.215 6.353 4.874) 10.778 6.580 ( -4.292 0.619 -3.390) 5.504 6.716 ( -3.496 4.569 -1.079) 5.853 6.829 ( 7.106 -0.359 5.191) 8.808 7.180 ( 5.400 -1.849 6.306) 8.506 7.285 ( -7.551 3.348 2.952) 8.771 7.518 ( 2.561 -6.050 2.846) 7.159 7.634 ( -0.062 -7.917 -7.920) 11.199 8.111 ( 2.676 8.166 -2.052) 8.835 8.251 ( 6.183 -0.849 -2.114) 6.590 8.391 ( 1.960 7.377 2.230) 7.952 8.516 ( 2.444 0.562 1.929) 3.164 9.060 ( -2.162 -2.135 -6.044) 6.765 9.172 ( -0.450 -5.471 5.585) 7.831 9.979 ( 1.518 6.979 -2.851) 7.690 10.112 ( 2.035 10.468 8.773) 13.809 10.269 ( -4.172 -2.950 -5.809) 7.736 10.532 ( -1.800 -1.424 2.355) 3.288 10.871 ( -1.541 -0.204 4.075) 4.361 11.070 ( 0.738 -2.596 -5.216) 5.873 11.660 ( 0.611 6.025 -5.129) 7.936 11.708 ( 3.395 5.520 3.793) 7.509 12.205 ( -3.020 -5.658 -2.366) 6.837 12.283 ( -0.883 -7.222 5.687) 9.235 12.925 ( 7.300 -2.200 -8.431) 11.368 12.999 ( 8.114 -2.702 6.049) 10.475 13.078 ( 9.974 -4.065 -3.839) 11.435 13.156 ( 8.859 -5.136 5.655) 11.698 18.063 ( 0.458 14.419 -17.352) 22.566 18.121 ( -0.848 15.461 17.895) 23.664 18.557 ( 5.231 8.130 -1.152) 9.736 18.596 ( 8.755 11.842 -8.084) 16.800 18.966 ( -1.960 -3.250 4.877) 6.180 19.033 ( -0.944 -3.684 5.515) 6.699 19.906 ( 6.372 -11.990 1.481) 13.658 19.989 ( 6.698 -12.053 -1.550) 13.876 22.650 ( -6.964 0.708 -1.937) 7.263 22.709 ( -5.900 -0.772 0.096) 5.951 23.229 ( -6.419 1.885 -1.044) 6.771 23.248 ( -5.678 1.244 0.717) 5.856 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 4.854 16.723 -19.654) 26.259 3.313 ( 6.574 10.580 11.133) 16.706 3.407 ( 9.501 9.651 -8.602) 16.044 3.514 ( -4.416 -0.783 5.780) 7.316 3.720 ( -0.283 -6.935 -8.187) 10.734 3.846 ( 2.736 -1.123 2.615) 3.947 3.981 ( -1.345 -5.455 7.745) 9.568 4.162 ( -2.704 -4.004 -5.451) 7.284 4.479 ( -2.047 0.833 -2.361) 3.235 4.615 ( 1.259 -3.757 -1.041) 4.097 4.733 ( 2.294 1.282 6.037) 6.585 4.827 ( -3.616 -2.452 1.764) 4.711 4.887 ( 0.909 -5.189 8.592) 10.079 5.089 ( -12.645 1.208 -1.712) 12.817 5.314 ( 2.051 -2.244 -6.993) 7.625 5.629 ( -2.532 2.855 -0.176) 3.820 5.709 ( 2.417 -5.035 7.104) 9.037 5.810 ( -3.780 4.051 -6.835) 8.799 6.057 ( -8.954 3.774 -5.071) 10.960 6.164 ( -7.543 2.067 -6.103) 9.920 6.434 ( -7.576 -2.475 -0.510) 7.986 6.558 ( -6.821 0.450 1.038) 6.915 6.701 ( 5.227 0.051 1.506) 5.440 6.903 ( 0.807 -0.034 -2.424) 2.555 7.199 ( -4.047 6.819 -1.165) 8.015 7.363 ( 0.952 -5.735 -1.110) 5.918 7.503 ( 8.728 -0.613 -4.764) 9.963 7.696 ( 1.384 -0.716 5.164) 5.394 8.106 ( 1.391 11.138 -2.707) 11.547 8.300 ( 2.938 6.083 0.606) 6.783 8.562 ( 7.821 2.559 6.246) 10.331 8.568 ( 3.372 1.757 0.989) 3.929 8.931 ( -4.006 0.040 -6.554) 7.681 9.195 ( -2.841 -7.591 3.024) 8.651 9.984 ( 4.033 4.755 -3.590) 7.194 10.093 ( -4.378 1.691 -3.832) 6.059 10.292 ( 2.877 5.137 7.148) 9.261 10.542 ( -4.553 -2.400 6.473) 8.270 10.906 ( 1.080 2.156 3.189) 3.998 11.040 ( 1.598 -1.486 -1.690) 2.760 11.650 ( 3.964 6.834 -3.664) 8.709 11.768 ( 0.218 5.392 0.766) 5.450 12.151 ( -1.862 -2.877 -0.033) 3.427 12.336 ( -0.626 -5.834 5.158) 7.813 12.967 ( 7.848 -0.774 -6.756) 10.384 13.114 ( 8.520 -4.752 -5.377) 11.139 13.296 ( 8.254 -0.884 9.859) 12.888 13.381 ( 7.150 -3.339 8.693) 11.740 17.824 ( 0.462 6.016 -21.627) 22.453 18.282 ( -7.899 -4.067 3.778) 9.654 18.484 ( 3.798 10.140 2.914) 11.214 18.748 ( 11.288 16.333 2.841) 20.057 19.104 ( 1.568 1.954 12.548) 12.796 19.238 ( 10.928 10.744 11.564) 19.198 19.975 ( 2.259 -6.022 -3.498) 7.322 20.077 ( 2.368 -3.669 3.320) 5.485 22.497 ( -5.928 -1.874 -4.854) 7.888 22.574 ( -7.480 -4.201 -3.976) 9.456 23.086 ( -6.235 -1.063 -4.508) 7.767 23.138 ( -6.193 -2.341 -2.371) 7.032 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 7.947 9.769 -17.266) 21.371 3.339 ( -0.233 1.911 -10.002) 10.186 3.405 ( 2.548 4.037 -9.788) 10.890 3.570 ( -3.215 -6.019 -6.984) 9.765 3.691 ( 7.899 6.026 8.853) 13.307 3.897 ( 4.487 -1.318 1.050) 4.793 4.122 ( -4.479 -3.258 15.418) 16.382 4.178 ( 6.162 -5.019 8.029) 11.297 4.423 ( -2.118 0.573 -1.622) 2.729 4.583 ( -4.388 0.239 0.330) 4.407 4.692 ( -4.797 -4.878 -7.544) 10.185 4.805 ( -1.168 -0.215 -0.748) 1.404 4.995 ( -3.763 -2.223 4.322) 6.146 5.091 ( 5.778 -2.372 12.930) 14.360 5.266 ( 1.156 -0.529 2.571) 2.868 5.513 ( -17.493 -7.420 -5.141) 19.685 5.582 ( -5.375 -5.029 -1.361) 7.486 5.753 ( 0.354 0.940 -1.531) 1.831 5.887 ( -5.622 0.785 -5.071) 7.612 6.160 ( 10.028 7.442 0.918) 12.521 6.302 ( -10.336 -5.986 3.461) 12.436 6.519 ( 4.069 -0.443 -3.555) 5.421 6.773 ( 1.278 -1.182 0.059) 1.741 6.897 ( 1.556 3.209 -1.900) 4.041 7.126 ( -2.458 9.331 -1.790) 9.814 7.254 ( -0.134 -4.582 -10.979) 11.897 7.505 ( 0.182 -1.101 -12.704) 12.752 7.712 ( -3.815 -1.912 -1.688) 4.589 8.140 ( 2.901 15.194 2.794) 15.719 8.411 ( 5.525 8.861 5.771) 11.931 8.595 ( 0.976 2.162 0.144) 2.377 8.770 ( 1.247 -1.327 0.467) 1.880 8.806 ( 2.058 2.070 0.520) 2.965 9.151 ( -3.933 -8.410 -0.407) 9.294 9.992 ( 2.024 1.752 -2.470) 3.643 10.068 ( 3.193 0.500 0.123) 3.235 10.380 ( -0.704 5.929 4.269) 7.340 10.507 ( -7.534 -0.037 5.232) 9.173 11.002 ( 4.044 2.732 6.020) 7.749 11.108 ( 4.482 -0.308 4.249) 6.184 11.675 ( 3.909 6.832 -4.887) 9.265 11.741 ( -1.699 5.822 -2.293) 6.484 12.144 ( -0.405 0.020 2.257) 2.293 12.372 ( -1.489 -4.631 3.259) 5.855 13.008 ( 5.478 -0.363 -4.995) 7.423 13.175 ( 3.701 -4.943 -2.490) 6.658 13.539 ( 6.175 0.409 10.351) 12.060 13.593 ( 5.434 -0.910 8.786) 10.371 17.615 ( 3.615 1.332 -18.641) 19.035 17.997 ( -12.609 -10.938 -11.364) 20.193 18.788 ( 8.858 14.281 19.689) 25.885 19.007 ( 9.780 14.333 10.598) 20.332 19.302 ( 4.836 6.136 11.636) 14.016 19.561 ( 12.207 12.648 8.641) 19.587 19.902 ( -5.011 2.328 -4.689) 7.247 20.113 ( -4.155 5.772 4.117) 8.217 22.341 ( -3.963 -7.303 -8.108) 11.609 22.386 ( -5.609 -7.385 -8.050) 12.280 22.934 ( -3.795 -4.213 -6.005) 8.259 23.001 ( -4.951 -5.216 -4.412) 8.437 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 11.330 0.271 -9.906) 15.052 3.096 ( -12.669 -5.745 -10.167) 17.231 3.339 ( -5.857 3.587 -6.710) 9.602 3.431 ( 10.249 2.868 -15.645) 18.921 3.933 ( 8.687 4.333 6.529) 11.699 4.051 ( 4.889 -0.273 9.774) 10.932 4.238 ( -0.930 -1.853 12.621) 12.791 4.307 ( -12.570 1.602 1.978) 12.826 4.415 ( 6.607 -5.621 4.423) 9.737 4.480 ( 5.148 -4.310 -5.311) 8.561 4.651 ( -3.060 -1.179 -0.356) 3.299 4.729 ( 2.028 -2.425 -6.345) 7.089 4.906 ( -2.992 -4.979 0.070) 5.810 5.030 ( -21.477 -14.743 -3.574) 26.295 5.388 ( 4.003 -0.839 14.144) 14.723 5.479 ( -1.714 2.476 10.288) 10.719 5.539 ( 4.475 -2.585 -0.456) 5.188 5.777 ( 4.540 3.818 -0.292) 5.939 5.811 ( 1.524 -3.240 1.327) 3.819 6.197 ( -4.463 -7.611 1.416) 8.936 6.285 ( 0.350 6.471 1.855) 6.741 6.555 ( 4.251 0.297 -6.510) 7.781 6.771 ( 2.183 -0.335 -2.857) 3.610 6.867 ( -0.662 6.948 -6.580) 9.592 7.033 ( -6.680 3.520 -3.329) 8.252 7.181 ( 2.969 0.755 -4.168) 5.173 7.317 ( 1.341 0.181 -15.038) 15.099 7.543 ( -7.021 -1.068 -8.273) 10.904 8.230 ( 1.332 10.610 5.409) 11.983 8.555 ( -2.382 7.222 6.136) 9.772 8.587 ( 4.911 0.570 -4.855) 6.929 8.724 ( 0.001 3.457 0.908) 3.575 8.928 ( 2.131 -2.189 3.759) 4.844 9.076 ( -2.159 -5.316 -2.375) 6.210 10.034 ( 3.340 0.309 0.524) 3.395 10.116 ( 1.587 -1.153 -0.569) 2.043 10.389 ( -3.342 4.476 4.322) 7.063 10.445 ( -4.394 3.371 3.114) 6.354 11.161 ( 3.888 3.777 8.291) 9.905 11.259 ( 3.825 1.703 7.829) 8.878 11.635 ( -0.165 6.380 -6.666) 9.228 11.684 ( -0.033 5.520 -4.876) 7.365 12.191 ( 1.725 1.681 3.524) 4.268 12.354 ( -3.356 -2.362 0.673) 4.159 13.046 ( 3.672 -1.845 -1.303) 4.311 13.169 ( -1.241 -4.623 -1.830) 5.124 13.727 ( 2.365 1.338 8.552) 8.974 13.755 ( 2.189 0.595 7.470) 7.807 17.524 ( 8.066 -3.703 -13.181) 15.890 17.660 ( -11.458 -8.083 -10.545) 17.544 19.164 ( 8.138 12.346 17.658) 23.032 19.309 ( 4.754 10.625 19.569) 22.769 19.515 ( 6.038 9.150 6.781) 12.890 19.715 ( -10.720 10.625 -2.157) 15.247 19.833 ( 11.754 13.074 2.948) 17.826 20.021 ( -10.712 13.345 1.899) 17.217 22.187 ( 0.376 -12.852 -11.197) 17.050 22.211 ( -3.397 -10.913 -9.266) 14.714 22.836 ( 0.095 -5.936 -5.028) 7.780 22.878 ( -3.240 -6.286 -4.687) 8.484 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -16.974 -2.958 -8.217) 19.089 2.907 ( 13.507 -7.660 -1.887) 15.642 3.146 ( -7.861 7.587 -5.958) 12.444 3.444 ( 10.113 -0.756 -13.275) 16.705 4.083 ( -4.835 -0.714 7.116) 8.633 4.110 ( -9.229 5.383 7.950) 13.317 4.221 ( -0.654 1.842 3.192) 3.743 4.303 ( -5.616 3.042 -2.799) 6.973 4.472 ( 3.099 -1.291 -2.436) 4.148 4.565 ( 9.343 -4.095 5.340) 11.514 4.625 ( 4.216 -7.041 -4.649) 9.432 4.701 ( -3.772 -3.621 0.323) 5.239 4.904 ( 9.436 -10.295 -2.191) 14.136 4.931 ( 6.493 -7.315 5.096) 11.029 5.444 ( -7.355 1.360 -0.104) 7.480 5.536 ( 4.203 -2.356 3.540) 5.979 5.596 ( -2.213 -0.823 6.676) 7.081 5.900 ( 2.332 -6.426 2.833) 7.400 5.982 ( 5.193 7.157 10.106) 13.429 6.170 ( -4.492 -1.188 1.731) 4.958 6.299 ( 6.140 0.177 2.200) 6.525 6.404 ( -6.511 1.935 -16.802) 18.123 6.702 ( -3.359 7.114 -8.568) 11.632 6.792 ( -1.981 -1.756 -2.057) 3.353 6.897 ( -3.745 -0.165 0.754) 3.823 7.138 ( 0.462 0.418 -4.741) 4.782 7.338 ( -2.088 2.345 -5.222) 6.093 7.366 ( 10.830 0.336 -5.904) 12.339 8.299 ( -1.331 6.453 5.833) 8.800 8.495 ( 0.270 0.837 -5.714) 5.781 8.651 ( -0.946 7.001 3.616) 7.936 8.743 ( -0.476 4.521 1.139) 4.687 8.958 ( -1.822 -3.473 1.952) 4.381 9.053 ( 2.440 -3.590 -1.802) 4.700 10.071 ( -0.717 -0.575 0.912) 1.294 10.086 ( -3.306 -1.116 -1.877) 3.962 10.390 ( -2.323 5.149 4.407) 7.165 10.468 ( 2.715 2.413 2.761) 4.563 11.284 ( -0.969 4.584 5.969) 7.588 11.365 ( -4.025 4.398 7.364) 9.475 11.562 ( 2.859 5.735 -7.470) 9.842 11.634 ( 2.728 4.768 -4.677) 7.214 12.270 ( 2.384 0.833 3.549) 4.356 12.290 ( -3.833 0.078 -0.312) 3.846 13.074 ( -2.930 -3.577 0.067) 4.625 13.120 ( 0.271 -4.772 -0.556) 4.812 13.809 ( -2.387 1.440 5.624) 6.277 13.831 ( -1.683 1.115 4.430) 4.869 17.381 ( -8.589 -3.422 -6.872) 11.520 17.583 ( 12.930 -9.356 -7.397) 17.591 19.350 ( -12.945 15.210 4.390) 20.450 19.450 ( -7.840 18.953 4.283) 20.953 19.580 ( -0.534 7.886 15.929) 17.782 19.757 ( 6.200 9.258 7.884) 13.649 19.854 ( -6.232 7.609 2.430) 10.131 20.042 ( 11.727 14.201 -1.891) 18.514 22.059 ( -0.771 -14.969 -9.185) 17.580 22.116 ( 4.886 -12.905 -8.325) 16.115 22.789 ( -1.243 -5.380 -3.620) 6.603 22.819 ( 2.993 -5.906 -2.826) 7.199 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -14.096 8.018 -2.255) 16.372 2.904 ( -13.336 12.011 -0.200) 17.949 3.196 ( 15.547 -12.459 2.753) 20.112 3.447 ( 6.685 -4.391 -9.300) 12.267 3.996 ( -8.444 4.079 2.616) 9.736 4.062 ( -5.948 -1.858 -6.998) 9.370 4.098 ( -6.823 0.385 7.654) 10.261 4.233 ( -4.455 -0.426 -0.135) 4.478 4.462 ( 1.507 1.303 0.081) 1.994 4.642 ( 3.687 0.944 2.262) 4.427 4.750 ( 2.506 -2.502 0.705) 3.611 4.916 ( 8.349 -0.277 -7.755) 11.399 4.949 ( 16.217 0.862 3.887) 16.699 5.237 ( 5.491 -15.527 -0.238) 16.471 5.297 ( -1.998 6.137 10.652) 12.454 5.608 ( 4.469 2.808 -1.249) 5.424 5.705 ( 2.034 -8.521 1.753) 8.934 5.796 ( -8.086 5.056 -6.748) 11.683 5.991 ( -7.414 -1.393 -5.145) 9.131 6.045 ( -6.237 2.024 -6.097) 8.954 6.253 ( 3.372 -1.236 1.179) 3.779 6.422 ( -0.519 -5.862 2.408) 6.358 6.646 ( 3.639 4.722 2.408) 6.429 6.755 ( 1.527 1.509 1.755) 2.772 6.900 ( -1.931 -0.201 5.435) 5.771 7.125 ( 0.692 -1.936 -1.446) 2.514 7.225 ( 1.619 4.266 -5.400) 7.070 7.589 ( 15.644 -5.790 -0.796) 16.700 8.310 ( -3.243 7.004 1.679) 7.899 8.421 ( -4.910 6.490 -2.190) 8.427 8.657 ( -0.283 5.462 2.219) 5.903 8.732 ( -0.741 4.101 -1.002) 4.286 8.928 ( -4.234 -0.491 0.920) 4.360 9.100 ( 4.893 -8.019 -0.915) 9.438 9.985 ( -5.598 0.691 -1.635) 5.873 10.039 ( -4.206 -0.754 1.548) 4.545 10.411 ( -0.225 5.779 2.359) 6.246 10.565 ( 4.264 -0.653 2.197) 4.841 11.240 ( -6.349 3.411 -0.695) 7.241 11.288 ( -7.902 4.277 -0.306) 8.990 11.571 ( 4.569 7.268 -3.155) 9.147 11.691 ( 5.548 5.554 -0.096) 7.851 12.238 ( -1.683 0.466 -0.223) 1.761 12.343 ( 1.337 -1.976 3.339) 4.104 12.974 ( -6.288 -2.537 -1.293) 6.902 13.123 ( -2.943 -6.866 1.083) 7.548 13.782 ( -6.406 1.022 1.799) 6.732 13.802 ( -4.754 0.159 0.725) 4.812 17.222 ( -4.153 2.003 -1.638) 4.893 17.775 ( 16.112 -14.652 -2.186) 21.888 19.041 ( -19.798 21.713 -1.585) 29.426 19.226 ( -22.626 29.155 2.186) 36.970 19.723 ( 5.164 0.004 2.613) 5.788 19.875 ( 0.568 0.803 2.858) 3.023 19.919 ( 1.768 2.212 4.446) 5.271 20.192 ( 6.922 10.239 -0.808) 12.386 22.015 ( 5.860 -13.650 -3.440) 15.248 22.149 ( 6.315 -8.622 -2.519) 10.980 22.760 ( 1.432 -2.972 -0.995) 3.446 22.862 ( 4.264 -4.808 -0.369) 6.437 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -5.016 21.643 5.843) 22.972 2.702 ( -15.122 17.085 8.575) 24.374 3.419 ( 7.585 -10.976 -2.675) 13.608 3.509 ( 6.484 -8.726 3.107) 11.306 3.838 ( -5.808 9.133 -5.650) 12.210 3.956 ( -0.283 -5.858 -4.490) 7.386 4.068 ( -5.282 1.273 5.497) 7.729 4.230 ( 2.192 -0.643 2.841) 3.645 4.507 ( 0.245 -4.407 1.750) 4.748 4.649 ( -4.368 8.214 2.872) 9.736 4.812 ( 4.570 2.909 -0.404) 5.432 4.906 ( 2.535 3.398 -13.386) 14.041 5.028 ( -15.555 14.923 -0.866) 21.573 5.178 ( 5.052 -8.061 5.352) 10.916 5.490 ( -6.755 -2.393 -2.562) 7.610 5.543 ( -5.261 -2.415 -12.060) 13.378 5.672 ( 11.424 -5.603 3.615) 13.227 5.777 ( 8.926 5.024 1.847) 10.408 5.914 ( 2.200 -4.181 -2.537) 5.363 6.002 ( 4.683 5.900 -1.728) 7.729 6.338 ( -5.620 -6.577 -0.003) 8.651 6.387 ( 7.516 -13.146 7.240) 16.785 6.765 ( 4.257 3.630 0.295) 5.602 6.852 ( 4.028 4.218 2.788) 6.464 6.990 ( -0.395 -1.368 14.502) 14.571 7.075 ( -2.562 0.903 -1.087) 2.926 7.329 ( 11.740 -1.683 0.604) 11.876 7.809 ( 9.610 -6.343 -1.946) 11.678 8.189 ( -8.717 12.127 -5.095) 15.780 8.310 ( -4.792 5.014 0.443) 6.949 8.686 ( -2.924 4.875 -1.327) 5.838 8.732 ( 3.699 4.701 3.330) 6.846 8.826 ( -6.468 -0.165 -2.376) 6.892 9.182 ( 4.478 -9.280 0.508) 10.316 9.877 ( -5.682 2.223 -0.068) 6.101 9.987 ( -3.927 -1.689 2.097) 4.762 10.433 ( 0.820 5.946 0.545) 6.027 10.628 ( -0.106 -2.332 1.258) 2.652 11.111 ( -6.367 2.987 -1.860) 7.275 11.178 ( 0.475 1.110 -4.876) 5.023 11.601 ( 2.205 8.676 -1.927) 9.157 11.777 ( 4.362 6.374 0.168) 7.725 12.226 ( 0.720 -1.397 -1.114) 1.927 12.392 ( 0.031 -4.992 3.253) 5.959 12.847 ( -7.153 -2.147 -1.192) 7.563 13.006 ( -12.652 -7.018 0.297) 14.471 13.635 ( -10.034 0.834 -2.410) 10.353 13.714 ( -3.935 -2.620 -3.056) 5.629 17.208 ( 0.425 7.055 4.450) 8.352 18.050 ( 16.670 -18.314 1.414) 24.805 18.691 ( -20.314 25.311 -0.077) 32.455 18.852 ( -20.649 29.046 -1.945) 35.690 19.795 ( 1.393 -5.941 -0.187) 6.105 19.862 ( 0.753 0.817 -7.652) 7.732 19.919 ( 0.261 -0.700 -6.330) 6.374 20.207 ( -3.712 -3.075 -1.384) 5.015 22.186 ( 11.174 -5.519 4.835) 13.367 22.265 ( 7.859 -4.175 3.486) 9.557 22.820 ( 4.212 0.198 3.190) 5.287 22.951 ( 4.978 -2.972 2.434) 6.287 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 4.353 29.566 10.983) 31.839 2.641 ( -11.312 20.448 19.708) 30.570 3.435 ( -3.073 -3.409 -1.851) 4.949 3.642 ( 4.569 -7.801 4.526) 10.110 3.704 ( -1.773 -0.179 -6.297) 6.544 3.884 ( -2.672 -0.901 -4.439) 5.259 4.120 ( 3.472 2.033 4.940) 6.371 4.279 ( -5.737 8.930 -1.460) 10.714 4.387 ( -4.257 5.759 -5.723) 9.168 4.652 ( -2.410 0.231 -8.354) 8.698 4.696 ( -4.646 2.506 6.797) 8.606 4.885 ( 2.058 3.035 4.956) 6.165 4.939 ( 2.531 2.291 1.477) 3.720 5.203 ( -5.378 -5.354 -11.599) 13.861 5.353 ( 3.847 -6.133 3.363) 7.983 5.420 ( -6.619 -0.395 0.861) 6.686 5.722 ( -2.982 0.199 0.368) 3.011 5.949 ( 7.204 -4.713 -0.321) 8.615 6.040 ( 9.323 6.055 4.775) 12.099 6.087 ( 1.264 4.961 0.081) 5.120 6.329 ( 10.240 -1.590 -0.499) 10.374 6.672 ( 8.858 -7.111 8.781) 14.358 6.788 ( 1.816 1.233 -2.495) 3.323 6.897 ( -0.228 1.671 -1.213) 2.077 7.090 ( 2.965 -0.540 4.853) 5.713 7.174 ( 1.987 -5.163 12.458) 13.631 7.543 ( 9.674 -0.008 -3.852) 10.413 7.753 ( -7.804 6.746 -2.065) 10.520 8.044 ( -2.525 6.275 -1.039) 6.843 8.252 ( -3.092 -1.384 -4.211) 5.404 8.596 ( -2.937 0.196 -1.929) 3.519 8.692 ( -3.253 3.146 -4.987) 6.735 8.822 ( 0.518 5.384 3.626) 6.512 9.238 ( 0.781 -7.914 0.777) 7.990 9.802 ( -4.722 3.205 2.261) 6.139 9.988 ( -0.082 -4.325 4.778) 6.445 10.453 ( 2.585 6.096 -1.707) 6.837 10.589 ( -4.338 -2.342 0.081) 4.931 11.007 ( -2.455 2.997 -3.199) 5.025 11.207 ( 9.645 -2.070 -5.961) 11.525 11.599 ( 0.967 8.740 -2.768) 9.219 11.841 ( 3.502 5.662 -0.332) 6.666 12.222 ( 0.694 -4.118 -1.773) 4.537 12.428 ( 0.121 -6.661 2.905) 7.268 12.680 ( -15.269 -3.313 -0.812) 15.645 12.745 ( -14.665 -5.279 2.019) 15.716 13.415 ( -10.137 0.758 -5.267) 11.449 13.597 ( -2.704 -5.114 -7.678) 9.613 17.333 ( 3.922 10.743 10.268) 15.369 18.329 ( 10.169 -11.984 3.165) 16.033 18.376 ( -18.062 27.179 1.819) 32.684 18.537 ( -10.243 19.877 -2.887) 22.546 19.715 ( -0.556 0.809 -16.960) 16.988 19.752 ( 1.863 -4.140 -13.301) 14.054 19.822 ( -3.757 -10.158 -2.187) 11.049 20.073 ( -8.615 -12.079 -1.863) 14.953 22.370 ( 4.618 2.975 6.507) 8.516 22.538 ( 12.677 -4.332 7.098) 15.161 22.963 ( 4.911 3.317 7.001) 9.173 23.092 ( 6.463 -0.677 5.472) 8.495 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 7.776 28.254 12.548) 31.878 2.776 ( -5.354 21.045 24.265) 32.563 3.315 ( -4.016 7.181 -4.991) 9.623 3.579 ( -7.315 -0.701 -1.964) 7.607 3.723 ( -3.729 2.438 -2.052) 4.905 3.807 ( 2.817 -7.179 0.328) 7.719 4.055 ( -5.613 8.230 -4.634) 10.987 4.234 ( 4.027 -1.219 -0.632) 4.255 4.339 ( -0.981 5.091 -2.359) 5.696 4.569 ( -2.407 -9.691 -3.811) 10.687 4.729 ( 2.019 0.972 3.752) 4.370 4.879 ( -1.414 -2.420 -5.034) 5.762 5.084 ( 0.551 4.808 9.778) 10.910 5.180 ( 9.485 -2.840 5.197) 11.182 5.260 ( -3.411 1.991 -0.718) 4.015 5.504 ( -1.850 -7.226 13.150) 15.119 5.757 ( 5.866 2.396 0.013) 6.336 5.978 ( -6.876 -1.015 5.392) 8.797 6.093 ( 6.071 2.168 0.985) 6.521 6.256 ( 7.980 2.146 -0.568) 8.283 6.589 ( 14.930 7.901 1.298) 16.941 6.678 ( -0.803 1.663 -6.710) 6.959 6.782 ( -10.055 7.745 -2.284) 12.896 6.854 ( -2.957 2.006 1.768) 3.986 7.277 ( 6.746 1.617 6.780) 9.700 7.321 ( 3.248 -2.996 -1.183) 4.574 7.369 ( -6.554 1.104 -1.084) 6.734 7.823 ( 5.470 -4.402 -3.935) 8.048 8.027 ( 0.307 4.272 1.330) 4.485 8.073 ( -7.909 -4.032 -1.588) 9.018 8.550 ( -0.197 3.464 -7.241) 8.029 8.616 ( 0.712 -1.400 -3.000) 3.386 8.849 ( -2.124 3.754 5.614) 7.080 9.229 ( -1.878 -6.302 0.211) 6.579 9.775 ( -2.725 4.594 3.954) 6.645 10.069 ( -0.576 -6.055 7.141) 9.380 10.481 ( 0.983 3.320 -1.290) 3.696 10.543 ( 3.909 0.566 -3.124) 5.036 10.926 ( -1.725 3.682 -5.963) 7.217 11.299 ( 8.797 -3.536 -7.951) 12.374 11.572 ( -0.259 7.481 -2.530) 7.902 11.874 ( 3.117 3.351 -5.087) 6.843 12.216 ( 0.114 -5.639 -0.139) 5.642 12.392 ( -15.783 -3.445 10.008) 19.003 12.484 ( 1.011 -6.649 1.726) 6.944 12.593 ( -8.810 -6.166 3.268) 11.239 13.197 ( -6.335 0.911 -7.370) 9.761 13.439 ( -2.296 -6.300 -12.103) 13.836 17.568 ( 5.638 12.417 15.452) 20.609 18.144 ( -12.998 27.678 3.437) 30.771 18.260 ( -7.614 28.279 -1.976) 29.353 18.640 ( 10.326 -20.431 2.878) 23.073 19.457 ( -1.066 1.346 -23.736) 23.798 19.592 ( 2.420 -3.547 -18.043) 18.547 19.749 ( -4.929 -16.754 1.835) 17.560 19.911 ( -7.090 -16.454 -1.946) 18.022 22.523 ( 2.966 5.462 8.457) 10.495 22.763 ( 6.042 -3.157 3.883) 7.845 23.122 ( 2.798 5.477 8.300) 10.330 23.271 ( 5.533 0.895 5.522) 7.868 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -4.206 11.593 4.697) 13.196 3.285 ( -5.041 -2.716 -1.087) 5.828 3.356 ( 1.725 16.767 8.225) 18.755 3.594 ( 9.650 6.110 8.081) 13.991 3.663 ( 1.349 -12.017 5.019) 13.093 3.720 ( 6.687 -1.861 -1.617) 7.127 3.983 ( -0.044 1.618 -8.546) 8.698 4.091 ( -0.206 -9.048 -7.412) 11.699 4.240 ( -8.100 -0.537 -7.523) 11.068 4.281 ( -6.603 -2.814 -2.565) 7.622 4.749 ( -0.740 2.216 -5.873) 6.321 4.814 ( 0.387 -3.186 -6.351) 7.116 5.347 ( -3.370 4.535 14.555) 15.614 5.456 ( -4.665 -5.086 10.544) 12.602 5.521 ( 8.958 12.756 13.797) 20.816 5.628 ( 12.056 2.116 16.397) 20.462 5.930 ( -0.568 1.816 9.189) 9.383 5.962 ( 5.531 -1.056 2.206) 6.048 6.278 ( 7.513 3.921 -0.297) 8.480 6.321 ( -2.592 1.693 -0.355) 3.117 6.507 ( -7.135 2.302 -7.582) 10.663 6.618 ( -9.193 -2.262 -7.856) 12.302 6.855 ( -4.638 6.595 -1.394) 8.182 6.956 ( -0.727 -1.242 -1.107) 1.816 7.286 ( -4.138 1.741 2.536) 5.156 7.369 ( -6.145 0.861 3.839) 7.297 7.484 ( 5.169 1.314 2.721) 5.987 7.542 ( 8.321 -7.913 -10.887) 15.823 7.969 ( 3.052 -1.642 -2.516) 4.283 8.023 ( 1.971 -5.249 -2.449) 6.118 8.535 ( -1.531 4.191 -4.135) 6.083 8.580 ( -0.371 0.536 -4.754) 4.799 8.959 ( -0.325 3.364 5.282) 6.271 9.067 ( -0.507 -6.695 0.897) 6.774 9.944 ( -1.292 5.951 8.936) 10.814 10.039 ( -1.468 -3.778 7.455) 8.486 10.494 ( -0.918 3.834 1.896) 4.375 10.594 ( 0.892 -4.987 3.536) 6.178 10.956 ( 1.003 10.135 -14.019) 17.327 11.141 ( 0.973 -7.569 -13.393) 15.414 11.678 ( -0.076 6.546 0.384) 6.557 11.808 ( 1.773 -5.407 -2.869) 6.372 12.152 ( -3.833 3.509 -1.876) 5.525 12.273 ( -2.998 -7.182 -5.088) 9.298 12.459 ( 2.830 1.060 13.772) 14.100 12.519 ( 2.703 -4.581 11.839) 12.979 13.065 ( -0.236 2.153 -11.668) 11.867 13.134 ( -0.403 -4.692 -13.972) 14.744 18.108 ( 0.852 14.206 16.973) 22.150 18.424 ( 1.982 -16.760 10.608) 19.934 18.618 ( -0.992 25.383 2.500) 25.525 18.721 ( -1.949 21.536 -1.573) 21.681 19.202 ( 0.948 3.410 -22.997) 23.268 19.290 ( -0.993 -6.449 -18.598) 19.709 19.325 ( -2.464 -16.110 -1.215) 16.343 19.421 ( 2.653 -20.901 -2.956) 21.275 22.742 ( 0.349 3.548 6.229) 7.177 22.802 ( 0.280 -2.446 3.763) 4.497 23.337 ( -0.328 3.601 6.317) 7.278 23.380 ( -0.265 -0.713 4.612) 4.674 ======================= Grid point 243 (131/170) ======================= q-point: ( 0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -3.740 10.197 7.417) 13.152 3.245 ( 0.339 -3.472 2.674) 4.396 3.501 ( 2.925 12.506 8.077) 15.172 3.650 ( 1.444 11.601 -11.518) 16.411 3.703 ( 1.200 -5.283 -2.393) 5.922 3.826 ( 6.002 -6.342 -6.477) 10.872 3.978 ( -4.933 -0.144 -9.562) 10.761 4.070 ( 10.026 -1.983 6.584) 12.158 4.132 ( -1.798 -3.676 2.909) 5.021 4.257 ( 7.484 -9.918 7.854) 14.699 4.704 ( 0.846 3.031 -2.540) 4.044 4.781 ( 3.169 -3.845 -4.978) 7.043 5.298 ( -13.816 6.891 4.250) 16.013 5.427 ( -9.361 -4.918 5.905) 12.111 5.584 ( -14.694 6.171 -0.147) 15.938 5.689 ( -13.824 -2.156 1.595) 14.082 6.072 ( -3.739 7.911 -5.081) 10.118 6.131 ( 2.760 3.371 -2.801) 5.180 6.277 ( 5.820 8.426 14.630) 17.858 6.399 ( 5.269 -0.839 2.153) 5.754 6.463 ( 11.260 4.846 9.859) 15.731 6.571 ( 8.204 0.371 -6.116) 10.240 6.742 ( -8.543 4.169 0.893) 9.547 6.878 ( -0.880 -8.679 -0.189) 8.725 7.181 ( -13.675 2.822 -0.229) 13.965 7.230 ( -7.503 -5.037 0.287) 9.041 7.497 ( -2.916 2.051 0.694) 3.632 7.567 ( 2.206 -6.697 -8.815) 11.288 8.051 ( 10.966 1.047 -1.541) 11.123 8.114 ( 9.695 -5.139 -3.027) 11.383 8.491 ( -0.385 5.070 0.206) 5.089 8.537 ( 0.794 1.415 -2.466) 2.952 9.025 ( 0.453 -0.275 4.526) 4.557 9.066 ( 0.141 -3.867 -1.023) 4.003 10.037 ( -0.260 4.608 8.552) 9.718 10.100 ( 0.584 -1.685 4.536) 4.874 10.463 ( -5.082 6.343 -0.898) 8.177 10.581 ( -5.678 -3.572 -0.135) 6.709 10.869 ( 3.541 5.893 -4.743) 8.352 11.017 ( 2.664 -7.154 -9.214) 11.965 11.721 ( 2.743 5.950 2.051) 6.866 11.802 ( 1.787 -0.544 -4.807) 5.157 12.109 ( -1.902 -1.690 3.280) 4.151 12.168 ( -2.946 -5.981 -3.167) 7.381 12.713 ( 7.764 0.149 11.924) 14.230 12.749 ( 7.646 -3.307 10.310) 13.255 12.968 ( 5.751 0.490 -12.015) 13.330 13.007 ( 5.605 -3.352 -13.612) 15.097 18.259 ( -6.919 12.581 18.723) 23.595 18.501 ( -4.825 -8.998 3.992) 10.962 18.645 ( -3.484 14.162 -2.554) 14.806 18.719 ( 6.194 14.403 -3.499) 16.064 19.024 ( 3.964 5.357 -12.590) 14.245 19.061 ( 5.781 6.235 -11.891) 14.618 19.406 ( 7.830 -18.318 2.333) 20.058 19.500 ( 10.041 -20.526 -3.136) 23.065 22.767 ( -4.469 1.771 3.505) 5.949 22.793 ( -4.602 -0.870 1.104) 4.812 23.352 ( -5.028 2.258 3.917) 6.761 23.371 ( -5.330 0.405 2.122) 5.751 ======================= Grid point 244 (132/170) ======================= q-point: ( 0.18 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 2.209 9.543 7.830) 12.540 3.326 ( 1.898 -2.561 4.520) 5.531 3.522 ( 1.109 11.256 -9.471) 14.752 3.616 ( -1.155 5.093 4.011) 6.584 3.693 ( 2.209 0.267 0.174) 2.232 3.768 ( 1.011 -2.758 -14.817) 15.105 3.865 ( 1.763 -0.654 -0.632) 1.983 4.060 ( -0.945 -12.862 -1.871) 13.031 4.411 ( 10.372 1.847 7.663) 13.027 4.497 ( 6.327 -5.116 5.175) 9.643 4.704 ( -1.221 3.435 1.689) 4.017 4.773 ( 0.407 -2.438 -1.920) 3.130 5.044 ( -15.041 7.125 -0.608) 16.654 5.229 ( -6.675 -7.806 -7.544) 12.744 5.374 ( -12.388 4.545 5.359) 14.242 5.515 ( -7.947 -6.972 4.915) 11.659 5.901 ( -6.062 9.518 -9.222) 14.573 6.022 ( -4.941 -0.512 -7.576) 9.059 6.376 ( -4.769 6.001 1.591) 7.829 6.418 ( -8.950 3.543 1.730) 9.780 6.540 ( 0.700 -1.003 -8.123) 8.214 6.600 ( -8.621 -2.203 5.498) 10.459 6.820 ( -6.473 5.917 -7.437) 11.499 6.881 ( 5.540 2.526 4.595) 7.628 7.119 ( 4.405 -0.943 8.536) 9.652 7.217 ( 1.488 -7.473 15.955) 17.681 7.453 ( 4.204 -0.172 -6.945) 8.121 7.499 ( 3.156 -4.810 -5.170) 7.735 8.220 ( 8.201 2.149 -3.152) 9.045 8.238 ( 12.199 -0.370 -2.559) 12.470 8.508 ( 0.453 4.644 1.478) 4.895 8.551 ( 1.253 1.008 1.391) 2.127 9.031 ( -1.670 -0.237 -1.892) 2.535 9.069 ( -1.039 -4.013 2.460) 4.820 10.091 ( 0.534 4.313 -1.205) 4.510 10.165 ( 1.599 -3.086 -0.025) 3.476 10.350 ( -6.269 8.273 3.608) 10.989 10.481 ( -6.034 -4.356 3.987) 8.443 10.910 ( 3.760 3.889 -1.010) 5.503 10.999 ( 2.931 -4.293 -4.277) 6.731 11.767 ( 1.418 4.087 -3.524) 5.579 11.792 ( 2.828 2.054 0.836) 3.594 12.117 ( -0.972 -2.022 0.526) 2.305 12.152 ( 0.127 -5.028 5.185) 7.224 12.907 ( 8.675 0.552 -6.810) 11.043 12.943 ( 9.101 -2.695 -2.485) 9.812 13.037 ( 9.937 0.015 3.168) 10.430 13.071 ( 9.646 -3.125 5.415) 11.495 18.281 ( -5.403 7.602 -18.897) 21.073 18.333 ( -7.173 4.477 8.214) 11.788 18.600 ( -3.951 -0.289 -4.729) 6.169 18.668 ( -5.318 -4.731 16.908) 18.345 19.147 ( 14.640 18.620 -2.479) 23.815 19.214 ( 15.404 17.540 2.833) 23.515 19.595 ( 11.504 -17.267 0.049) 20.748 19.668 ( 12.275 -18.673 -0.162) 22.347 22.669 ( -8.337 1.033 -1.297) 8.500 22.690 ( -7.804 -1.043 -0.794) 7.914 23.259 ( -8.608 0.950 -0.434) 8.671 23.265 ( -8.275 0.328 0.157) 8.283 ======================= Grid point 245 (133/170) ======================= q-point: ( 0.27 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 0.628 15.087 -14.708) 21.079 3.388 ( 2.114 -3.893 -1.702) 4.745 3.504 ( 0.620 0.824 -0.339) 1.085 3.597 ( -1.506 -4.295 -10.340) 11.297 3.615 ( 1.853 9.403 3.132) 10.083 3.797 ( 1.543 -4.910 6.349) 8.173 3.929 ( 1.290 2.075 7.005) 7.419 4.039 ( 0.401 -7.346 -0.085) 7.357 4.496 ( -0.492 1.757 -5.096) 5.413 4.549 ( 0.051 -2.952 -1.719) 3.416 4.746 ( 0.826 0.331 4.922) 5.001 4.790 ( 0.323 -3.664 6.343) 7.332 4.904 ( -4.942 9.286 6.675) 12.458 5.128 ( -7.720 -9.815 1.289) 12.554 5.230 ( -6.472 8.406 -0.827) 10.641 5.490 ( -7.321 -14.361 4.002) 16.609 5.716 ( -2.915 4.955 -6.989) 9.050 5.806 ( -5.083 -3.381 -8.811) 10.720 6.163 ( -14.135 6.189 -1.720) 15.526 6.269 ( -12.083 -0.992 -0.534) 12.135 6.419 ( -1.707 6.946 -1.648) 7.340 6.569 ( 0.617 -2.700 -5.168) 5.864 6.724 ( 0.036 3.990 1.161) 4.156 6.847 ( -1.380 -5.848 -0.662) 6.045 7.277 ( -1.194 1.239 -1.242) 2.122 7.291 ( 2.671 -1.202 -4.807) 5.629 7.530 ( 9.355 3.847 -1.262) 10.193 7.630 ( 5.213 -5.001 3.610) 8.076 8.326 ( 9.038 8.696 -2.522) 12.793 8.396 ( 9.758 2.017 -2.863) 10.368 8.565 ( 3.218 -0.198 5.260) 6.169 8.587 ( -0.168 -1.031 3.020) 3.195 8.958 ( -4.021 2.892 -2.225) 5.429 9.052 ( -3.511 -6.235 1.047) 7.232 10.059 ( 1.263 2.634 -4.702) 5.535 10.094 ( -1.835 -0.951 -5.787) 6.145 10.403 ( -0.846 5.035 9.716) 10.976 10.486 ( -3.743 -3.307 8.235) 9.632 10.957 ( 2.662 2.657 0.917) 3.871 11.005 ( 2.468 -2.028 -0.948) 3.332 11.774 ( 3.273 5.071 -2.483) 6.526 11.831 ( 1.443 0.134 -0.647) 1.587 12.131 ( 0.093 1.757 2.443) 3.011 12.216 ( 0.255 -5.741 4.685) 7.414 12.974 ( 8.996 1.537 -7.088) 11.555 13.027 ( 9.294 -3.618 -6.985) 12.176 13.294 ( 8.837 0.697 10.510) 13.749 13.324 ( 8.720 -2.248 9.804) 13.312 17.958 ( -4.362 7.392 -20.435) 22.164 18.121 ( -8.333 -8.662 -14.730) 19.012 18.702 ( -0.874 8.853 22.258) 23.969 18.836 ( -3.327 -4.147 23.426) 24.022 19.367 ( 15.586 19.727 -3.407) 25.371 19.541 ( 16.293 16.350 5.224) 23.666 19.757 ( 10.151 -14.161 -3.617) 17.795 19.894 ( 11.319 -13.776 3.663) 18.203 22.482 ( -9.400 0.396 -4.833) 10.577 22.510 ( -9.584 -2.276 -4.845) 10.978 23.079 ( -9.353 0.377 -3.741) 10.081 23.098 ( -9.121 -1.506 -2.986) 9.715 ======================= Grid point 246 (134/170) ======================= q-point: ( 0.36 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -1.481 13.762 -16.499) 21.536 3.243 ( -5.653 -9.807 -13.903) 17.929 3.482 ( 2.925 -0.333 -7.191) 7.770 3.494 ( 3.700 0.727 -10.178) 10.854 3.799 ( 5.350 4.395 11.427) 13.361 3.880 ( 3.563 -1.551 2.205) 4.468 4.056 ( -2.293 -0.780 14.481) 14.682 4.099 ( 2.780 -3.249 7.378) 8.528 4.441 ( 1.920 2.504 -5.585) 6.415 4.532 ( 3.066 -5.712 -3.505) 7.369 4.694 ( -12.412 5.385 0.920) 13.561 4.803 ( -6.913 -3.004 4.117) 8.589 4.944 ( -8.645 2.823 1.502) 9.218 5.098 ( -2.360 -2.693 9.778) 10.413 5.174 ( -4.241 -4.970 6.474) 9.198 5.252 ( -6.915 -9.033 0.561) 11.389 5.637 ( -0.677 5.129 -3.752) 6.391 5.736 ( 0.272 -3.555 -2.609) 4.418 5.960 ( -6.676 5.782 -1.916) 9.037 6.097 ( -6.366 -7.387 -0.694) 9.776 6.435 ( 4.567 11.053 -1.693) 12.079 6.559 ( 6.462 0.862 -5.717) 8.671 6.746 ( -1.753 0.573 2.852) 3.397 6.853 ( -1.629 -6.833 4.427) 8.303 7.222 ( 2.167 2.387 -10.388) 10.877 7.249 ( 3.614 0.925 -7.884) 8.722 7.532 ( -0.013 3.953 -11.060) 11.745 7.634 ( -2.614 -5.191 -5.412) 7.942 8.400 ( 1.955 9.928 -0.445) 10.128 8.528 ( 6.847 -1.388 -3.176) 7.675 8.621 ( 0.456 4.770 7.156) 8.612 8.731 ( 4.856 -4.034 5.265) 8.220 8.869 ( -2.538 4.974 -0.877) 5.653 8.994 ( -2.953 -7.126 -0.144) 7.714 10.030 ( 1.172 1.852 -2.266) 3.152 10.061 ( 1.963 -1.086 -1.228) 2.557 10.466 ( -2.533 2.770 4.978) 6.234 10.500 ( -4.493 -0.825 5.420) 7.088 11.055 ( 4.512 2.303 6.018) 7.866 11.092 ( 4.727 -1.343 5.578) 7.433 11.790 ( 2.281 4.031 -3.981) 6.108 11.820 ( -0.348 1.391 -2.948) 3.278 12.174 ( 0.809 3.277 3.567) 4.910 12.268 ( -0.020 -5.404 3.707) 6.553 13.023 ( 5.427 1.863 -5.347) 7.843 13.083 ( 4.903 -3.976 -4.419) 7.706 13.554 ( 6.839 0.937 10.600) 12.649 13.574 ( 6.626 -0.983 9.964) 12.006 17.677 ( -1.997 4.765 -17.748) 18.485 17.805 ( -7.521 -7.972 -15.153) 18.701 19.000 ( 0.961 7.075 26.737) 27.674 19.093 ( -1.749 -2.110 26.643) 26.784 19.575 ( 13.261 16.190 -2.707) 21.102 19.832 ( 7.800 -4.801 -2.616) 9.525 19.866 ( 11.974 11.514 2.343) 16.776 20.102 ( 7.155 -7.009 4.358) 10.923 22.241 ( -8.561 -1.593 -10.242) 13.444 22.272 ( -8.625 -4.031 -9.020) 13.115 22.886 ( -6.656 -0.433 -5.072) 8.380 22.915 ( -6.933 -3.113 -4.407) 8.785 ======================= Grid point 247 (135/170) ======================= q-point: ( 0.45 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.818 5.944 -12.145) 13.546 2.953 ( -8.657 -7.762 -12.942) 17.398 3.413 ( 0.937 3.422 -9.360) 10.010 3.459 ( 6.647 -0.622 -13.427) 14.995 3.991 ( 5.012 1.394 5.751) 7.755 4.019 ( 7.570 -2.069 7.751) 11.030 4.220 ( 1.818 1.701 14.434) 14.647 4.295 ( 6.923 -5.250 9.178) 12.638 4.405 ( -6.305 6.621 0.555) 9.160 4.466 ( -5.514 4.360 -4.148) 8.163 4.548 ( -0.425 -7.280 -0.209) 7.295 4.678 ( -15.478 -12.058 -0.744) 19.635 4.760 ( -3.939 2.205 -2.260) 5.048 4.844 ( -9.240 -5.314 -2.435) 10.934 5.392 ( 3.405 1.337 12.707) 13.223 5.439 ( 2.179 -3.046 13.101) 13.626 5.590 ( 1.676 5.226 -3.731) 6.636 5.713 ( 1.255 -5.898 -1.652) 6.252 5.910 ( 1.263 6.657 2.776) 7.322 6.044 ( 0.369 -6.778 1.503) 6.952 6.479 ( 1.211 10.630 -1.519) 10.806 6.615 ( 5.700 1.643 -6.174) 8.562 6.731 ( -2.399 -0.674 1.803) 3.075 6.849 ( -4.832 -7.607 2.571) 9.371 7.096 ( 0.748 5.969 -15.558) 16.680 7.197 ( 2.286 -3.064 -12.396) 12.972 7.380 ( 0.628 5.845 -9.099) 10.833 7.487 ( -3.864 -4.264 -7.051) 9.101 8.420 ( -0.663 7.450 2.438) 7.867 8.524 ( -0.620 -3.332 -1.771) 3.824 8.707 ( 0.528 4.967 1.961) 5.367 8.780 ( -0.411 -0.621 0.900) 1.169 8.902 ( 1.687 2.005 3.168) 4.111 8.985 ( 1.335 -4.416 0.472) 4.638 10.051 ( 2.050 1.324 -0.174) 2.447 10.084 ( 1.195 -1.812 -0.659) 2.268 10.457 ( -3.657 2.376 4.168) 6.032 10.481 ( -3.240 0.162 3.429) 4.721 11.230 ( 4.667 2.828 9.047) 10.566 11.268 ( 4.798 -0.812 9.148) 10.362 11.739 ( -0.703 3.455 -6.484) 7.380 11.760 ( -0.834 1.542 -5.300) 5.582 12.237 ( 1.016 2.805 3.995) 4.986 12.298 ( -1.119 -3.075 2.878) 4.358 13.035 ( 2.120 0.928 -2.892) 3.704 13.083 ( 0.465 -3.596 -3.010) 4.712 13.751 ( 2.632 0.937 8.735) 9.171 13.761 ( 2.545 -0.038 8.321) 8.701 17.489 ( 1.614 0.265 -13.249) 13.350 17.535 ( -5.040 -4.274 -12.310) 13.972 19.327 ( 1.270 4.620 24.052) 24.525 19.379 ( -1.229 -0.664 24.965) 25.004 19.738 ( 7.922 9.505 -0.090) 12.374 19.833 ( -1.338 0.657 -1.862) 2.385 20.109 ( 10.438 11.452 2.428) 15.684 20.205 ( -1.532 2.908 3.741) 4.980 21.994 ( -2.155 -4.772 -14.284) 15.213 22.020 ( -5.409 -6.731 -12.845) 15.477 22.759 ( -1.726 -1.459 -4.145) 4.721 22.779 ( -3.207 -3.216 -4.040) 6.078 ======================= Grid point 248 (136/170) ======================= q-point: (-0.45 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -5.707 2.055 -7.535) 9.673 2.771 ( 6.150 -5.557 -5.098) 9.731 3.290 ( -2.451 6.318 -8.915) 11.198 3.395 ( 3.845 -3.966 -11.778) 13.009 4.102 ( -3.510 2.292 5.276) 6.739 4.137 ( -8.622 -0.612 2.844) 9.099 4.325 ( -1.240 5.551 -0.089) 5.688 4.360 ( -6.061 1.656 2.619) 6.807 4.401 ( 2.338 -4.743 4.482) 6.932 4.448 ( 3.928 -6.058 -1.456) 7.365 4.505 ( 7.337 0.667 8.331) 11.121 4.642 ( 2.263 -7.885 8.607) 11.890 4.744 ( 10.180 1.092 -4.041) 11.008 4.828 ( 5.244 -4.859 -1.826) 7.378 5.455 ( -5.592 0.677 1.566) 5.846 5.483 ( -2.964 -2.109 5.945) 6.970 5.640 ( 5.659 4.422 -2.440) 7.585 5.761 ( 4.716 -7.049 -1.353) 8.589 6.086 ( 5.748 3.356 12.184) 13.884 6.154 ( 3.806 -2.878 7.500) 8.889 6.384 ( -8.483 8.310 -5.177) 12.954 6.491 ( -8.869 1.912 -10.980) 14.243 6.722 ( -1.092 -0.534 1.859) 2.220 6.783 ( -2.351 -1.990 -2.181) 3.774 6.936 ( 1.497 5.602 -10.592) 12.076 7.075 ( 2.530 -6.577 -10.535) 12.675 7.366 ( 2.091 1.362 -2.401) 3.463 7.381 ( 1.193 0.208 -4.989) 5.134 8.434 ( -1.831 5.843 3.470) 7.038 8.500 ( -0.532 -0.758 -0.832) 1.245 8.734 ( 1.232 2.221 0.888) 2.691 8.779 ( 1.110 -1.568 -0.478) 1.980 8.942 ( -1.522 2.285 2.501) 3.714 8.998 ( -0.490 -2.535 -0.600) 2.651 10.063 ( -0.829 -0.127 -0.146) 0.852 10.068 ( -1.840 -0.600 -1.219) 2.287 10.465 ( -1.362 2.455 4.118) 4.984 10.491 ( -0.181 -0.120 3.362) 3.369 11.370 ( -1.289 3.537 6.537) 7.543 11.410 ( -1.967 -0.093 7.111) 7.378 11.659 ( 2.461 3.526 -6.515) 7.806 11.691 ( 2.455 0.625 -5.319) 5.891 12.288 ( -0.359 0.773 3.364) 3.470 12.295 ( -2.689 0.140 2.104) 3.417 13.024 ( -1.819 -1.006 -0.978) 2.298 13.041 ( -1.139 -2.674 -1.448) 3.248 13.835 ( -2.629 1.008 5.553) 6.226 13.845 ( -2.206 0.118 5.108) 5.565 17.359 ( -1.348 1.254 -7.608) 7.828 17.430 ( 6.080 -5.668 -7.835) 11.423 19.547 ( -3.811 4.820 10.313) 12.004 19.587 ( 0.420 0.417 10.995) 11.011 19.785 ( -5.149 7.980 9.650) 13.539 19.856 ( 0.913 0.969 6.077) 6.221 20.113 ( -11.960 13.935 0.302) 18.366 20.246 ( 1.815 2.746 1.921) 3.811 21.835 ( 2.960 -5.203 -12.540) 13.895 21.882 ( 7.670 -8.788 -11.477) 16.364 22.716 ( 0.668 -1.560 -2.850) 3.317 22.729 ( 2.533 -2.742 -2.494) 4.489 ======================= Grid point 249 (137/170) ======================= q-point: (-0.36 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.491 14.631 -0.239) 14.641 2.906 ( 10.920 -15.047 2.039) 18.703 3.140 ( -6.006 10.190 -3.676) 12.386 3.323 ( 0.819 -7.693 -6.613) 10.178 3.991 ( -6.743 -0.054 -0.212) 6.747 4.022 ( -7.020 -2.664 -0.104) 7.509 4.189 ( -8.923 4.886 -0.194) 10.175 4.267 ( -4.572 0.125 -0.156) 4.576 4.496 ( 4.348 6.691 1.415) 8.104 4.677 ( 5.975 -0.620 9.418) 11.171 4.766 ( 9.799 3.436 3.251) 10.881 4.853 ( 10.146 -5.185 -11.160) 15.949 4.886 ( 15.820 -6.764 8.474) 19.179 4.899 ( 6.607 -10.357 -1.365) 12.361 5.417 ( -0.362 6.169 4.264) 7.507 5.546 ( 2.625 -6.453 3.049) 7.604 5.699 ( 6.348 4.266 -3.755) 8.520 5.788 ( 0.715 -4.093 -4.892) 6.418 6.063 ( -11.261 4.448 -11.182) 16.481 6.113 ( -9.197 1.716 -7.126) 11.760 6.247 ( -2.620 1.322 4.975) 5.776 6.315 ( -6.405 -3.745 4.465) 8.659 6.765 ( 1.281 4.501 4.409) 6.430 6.785 ( 4.214 1.510 5.367) 6.989 6.907 ( 2.428 3.317 -2.076) 4.605 7.045 ( 1.832 -6.662 -3.117) 7.580 7.331 ( 1.820 5.597 -2.852) 6.540 7.453 ( 8.336 -6.736 -1.145) 10.778 8.430 ( -2.982 4.322 1.835) 5.562 8.477 ( -1.590 -0.223 -0.567) 1.703 8.773 ( 3.250 4.890 -0.185) 5.874 8.799 ( -0.871 2.136 0.802) 2.443 8.912 ( -4.910 -0.404 1.292) 5.093 8.965 ( 0.404 -5.335 -1.830) 5.655 10.003 ( -4.230 1.070 -0.584) 4.402 10.024 ( -3.908 -0.907 0.701) 4.073 10.496 ( 0.161 3.037 2.486) 3.928 10.542 ( 1.543 -1.652 2.435) 3.322 11.306 ( -7.365 2.748 -1.604) 8.023 11.335 ( -8.052 0.240 -1.590) 8.211 11.701 ( 6.079 5.135 -1.542) 8.105 11.754 ( 6.647 0.273 -0.243) 6.657 12.262 ( -3.285 1.742 1.242) 3.920 12.302 ( -2.119 -2.082 2.562) 3.923 12.950 ( -5.107 0.601 -0.722) 5.193 13.004 ( -3.907 -4.625 0.337) 6.064 13.797 ( -6.773 0.616 1.623) 6.992 13.805 ( -6.614 -0.068 1.022) 6.693 17.315 ( 2.881 7.174 -2.029) 7.992 17.507 ( 9.868 -11.603 -2.268) 15.400 19.426 ( -12.639 15.728 -0.450) 20.182 19.655 ( -2.393 -6.839 1.678) 7.438 19.783 ( -18.456 23.060 6.378) 30.217 19.904 ( -2.009 2.904 0.249) 3.540 19.927 ( -1.086 -0.657 3.378) 3.609 20.190 ( -9.683 -10.856 -0.083) 14.547 21.873 ( 13.492 0.173 -4.089) 14.099 21.974 ( 12.818 -8.087 -3.305) 15.512 22.736 ( 4.220 0.590 -0.648) 4.310 22.778 ( 5.211 -3.365 -0.373) 6.214 ======================= Grid point 250 (138/170) ======================= q-point: (-0.27 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 5.882 23.791 5.115) 25.036 3.028 ( -7.470 14.834 5.136) 17.385 3.127 ( 9.927 -18.684 2.487) 21.303 3.295 ( 0.268 -11.827 2.405) 12.072 3.888 ( -3.544 0.428 -4.607) 5.828 3.920 ( -3.188 -1.099 -4.134) 5.335 4.096 ( -5.478 3.389 7.449) 9.848 4.218 ( -3.325 -5.887 4.491) 8.117 4.526 ( 4.622 10.696 -10.216) 15.496 4.755 ( 1.105 -7.741 -15.649) 17.494 4.837 ( 2.323 6.170 7.615) 10.073 4.964 ( 6.221 5.759 8.504) 12.008 5.006 ( 5.579 -2.479 5.188) 8.012 5.288 ( 6.861 -8.702 4.081) 11.809 5.392 ( -2.237 -0.583 -16.055) 16.221 5.466 ( -3.960 -4.405 -8.317) 10.210 5.600 ( -1.747 8.806 -3.671) 9.699 5.789 ( 1.313 -7.486 -3.372) 8.314 5.971 ( 9.559 9.041 5.946) 14.439 6.099 ( 6.076 0.424 5.373) 8.122 6.213 ( -6.121 -3.130 2.693) 7.383 6.221 ( -1.019 -4.523 0.591) 4.674 6.853 ( 1.996 5.132 0.767) 5.560 6.934 ( 3.339 0.930 3.894) 5.213 6.953 ( -0.095 -0.208 8.690) 8.693 7.025 ( -2.258 -4.154 1.321) 4.909 7.412 ( 10.037 8.469 0.245) 13.135 7.619 ( 11.188 -10.999 -0.017) 15.689 8.368 ( -5.667 5.103 -2.404) 7.996 8.395 ( -6.930 2.255 -1.420) 7.424 8.738 ( -4.007 2.106 -1.408) 4.741 8.792 ( -6.012 -2.805 -1.663) 6.839 8.863 ( 3.508 6.954 1.827) 8.000 9.007 ( 3.613 -7.716 0.723) 8.551 9.924 ( -5.149 2.235 0.974) 5.697 9.961 ( -4.956 -1.395 1.876) 5.480 10.522 ( 0.147 3.332 1.269) 3.569 10.579 ( -0.381 -2.518 1.470) 2.941 11.162 ( -4.838 2.078 -3.803) 6.495 11.189 ( -3.309 -0.428 -4.516) 5.615 11.768 ( 3.670 7.183 -1.928) 8.293 11.851 ( 5.178 -0.079 -1.107) 5.296 12.221 ( -2.473 1.445 0.241) 2.875 12.289 ( -2.462 -4.792 2.466) 5.925 12.833 ( -8.436 1.067 -0.366) 8.511 12.891 ( -10.630 -4.447 0.195) 11.525 13.650 ( -9.534 0.776 -2.676) 9.933 13.672 ( -7.339 -1.531 -2.964) 8.062 17.404 ( 6.311 12.211 3.565) 14.200 17.694 ( 11.954 -16.343 2.420) 20.393 19.178 ( -16.159 22.043 0.286) 27.333 19.415 ( -19.659 19.971 -3.494) 28.241 19.609 ( -7.490 -7.171 1.238) 10.443 19.881 ( -0.393 -0.110 -6.990) 7.002 19.884 ( -0.951 -3.186 -10.335) 10.856 19.978 ( -13.096 -16.194 1.783) 20.903 22.144 ( 16.196 1.128 4.603) 16.875 22.196 ( 12.396 -3.255 3.632) 13.322 22.844 ( 7.032 1.977 2.908) 7.862 22.893 ( 6.975 -2.752 2.627) 7.945 ======================= Grid point 251 (139/170) ======================= q-point: (-0.18 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 6.953 24.327 6.577) 26.142 3.034 ( -5.217 18.355 14.380) 23.894 3.262 ( 4.561 -13.474 2.569) 14.456 3.401 ( 2.709 -16.584 8.075) 18.644 3.714 ( -7.581 4.065 -7.011) 11.097 3.827 ( -3.488 -5.002 -4.356) 7.494 4.161 ( -0.323 2.664 8.201) 8.629 4.272 ( 2.118 -7.298 3.693) 8.449 4.441 ( 3.602 7.263 -14.367) 16.497 4.591 ( 0.639 -6.369 -13.542) 14.978 4.941 ( -7.030 9.968 6.743) 13.937 4.998 ( -3.142 6.190 -6.839) 9.745 5.100 ( -1.688 9.802 -9.495) 13.751 5.154 ( -2.734 0.262 -1.981) 3.386 5.181 ( 1.419 -4.301 13.326) 14.074 5.440 ( -5.540 -6.690 -1.928) 8.898 5.678 ( 6.029 0.619 2.546) 6.574 5.806 ( 5.628 -7.681 0.228) 9.525 6.110 ( -2.302 4.007 3.802) 5.984 6.174 ( 1.981 0.475 2.496) 3.222 6.374 ( 19.514 4.684 4.655) 20.601 6.492 ( 18.119 -7.998 9.958) 22.168 6.836 ( -0.195 3.768 -4.521) 5.888 6.918 ( -2.233 -2.228 -3.356) 4.606 7.067 ( 0.010 0.570 10.245) 10.261 7.109 ( 0.232 -2.496 11.814) 12.077 7.605 ( 11.427 6.426 -2.873) 13.421 7.755 ( 5.063 -6.249 -4.506) 9.219 8.151 ( -10.998 5.218 -3.577) 12.687 8.231 ( -10.555 -2.004 -4.861) 11.792 8.641 ( -3.174 3.981 -1.584) 5.333 8.711 ( -1.404 -1.689 -3.005) 3.722 8.929 ( 0.639 5.552 1.941) 5.916 9.064 ( 1.036 -8.126 1.500) 8.328 9.869 ( -4.292 3.184 3.828) 6.574 9.926 ( -3.068 -2.555 4.729) 6.189 10.528 ( -0.942 2.042 0.923) 2.431 10.557 ( -3.529 -1.198 1.007) 3.860 11.080 ( 1.627 3.867 -5.351) 6.800 11.153 ( 6.090 -3.261 -5.889) 9.078 11.773 ( 1.086 8.120 -3.874) 9.062 11.890 ( 2.476 -2.083 -3.435) 4.719 12.191 ( -1.244 2.077 0.540) 2.481 12.290 ( -0.927 -6.577 2.768) 7.196 12.645 ( -15.364 -0.285 0.116) 15.367 12.666 ( -14.048 -2.477 0.946) 14.297 13.442 ( -8.486 2.084 -6.212) 10.721 13.503 ( -5.622 -3.995 -7.081) 9.885 17.598 ( 8.023 15.343 8.475) 19.277 17.946 ( 11.836 -18.981 5.951) 23.147 18.914 ( -15.984 24.790 1.524) 29.536 19.070 ( -15.410 22.165 -3.923) 27.279 19.480 ( -9.333 -14.806 1.405) 17.559 19.649 ( -6.158 -16.056 -11.801) 20.856 19.749 ( -0.461 1.670 -15.645) 15.741 19.811 ( -5.901 -7.021 -7.304) 11.725 22.424 ( 8.909 2.445 6.485) 11.287 22.473 ( 11.889 -2.556 6.791) 13.929 23.027 ( 7.554 2.822 6.470) 10.338 23.071 ( 7.998 -1.545 5.894) 10.055 ======================= Grid point 252 (140/170) ======================= q-point: (-0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 4.604 19.087 6.454) 20.668 3.175 ( -2.220 18.020 18.821) 26.151 3.373 ( 4.910 -10.108 1.212) 11.302 3.480 ( -5.569 0.960 -0.852) 5.715 3.564 ( 0.522 -7.992 4.766) 9.319 3.709 ( -3.842 -8.707 -2.233) 9.775 4.127 ( -3.303 4.544 -8.528) 10.212 4.251 ( -0.062 -5.153 -13.283) 14.248 4.367 ( -0.344 3.261 -2.545) 4.150 4.454 ( -5.009 -3.331 -6.552) 8.894 4.874 ( 1.093 3.695 -2.261) 4.467 4.881 ( -4.554 3.626 -8.254) 10.100 5.091 ( 5.247 2.959 10.942) 12.490 5.226 ( 6.802 -4.404 2.955) 8.625 5.334 ( 1.798 6.504 11.890) 13.671 5.413 ( -6.309 0.049 16.406) 17.577 5.808 ( 6.504 3.068 1.679) 7.385 5.903 ( 0.046 -5.453 5.723) 7.905 6.159 ( 4.830 4.824 1.644) 7.022 6.258 ( 5.317 -2.957 0.590) 6.113 6.696 ( 1.583 3.961 -6.398) 7.689 6.764 ( 7.562 3.147 3.988) 9.111 6.834 ( 1.096 -1.536 -0.500) 1.952 6.875 ( 3.091 -0.402 5.697) 6.493 7.207 ( 3.398 0.518 9.682) 10.274 7.268 ( 3.285 -2.905 11.403) 12.217 7.528 ( -5.329 8.362 -15.839) 18.686 7.689 ( -0.207 -7.476 -12.711) 14.748 8.005 ( -6.788 -0.627 -1.414) 6.962 8.047 ( -1.380 -3.095 -0.194) 3.394 8.598 ( 0.297 3.902 -3.765) 5.431 8.647 ( -1.079 0.289 -4.380) 4.520 8.934 ( -2.386 5.165 3.078) 6.469 9.073 ( -1.615 -8.210 1.468) 8.496 9.878 ( -2.347 5.046 6.984) 8.930 9.970 ( -1.451 -4.294 8.040) 9.230 10.502 ( -2.885 1.439 1.435) 3.529 10.542 ( 0.468 -1.799 1.725) 2.536 11.058 ( 5.048 7.900 -10.567) 14.126 11.203 ( 8.121 -6.056 -9.376) 13.804 11.719 ( -1.486 7.081 -3.785) 8.165 11.850 ( -1.002 -5.192 -4.476) 6.927 12.206 ( 1.890 4.068 -0.410) 4.504 12.321 ( 0.515 -6.055 1.139) 6.183 12.405 ( -12.982 1.110 6.974) 14.779 12.476 ( -11.485 -5.122 4.722) 13.432 13.235 ( -5.029 2.982 -9.261) 10.952 13.319 ( -3.567 -5.245 -11.014) 12.710 17.855 ( 7.171 16.027 12.778) 21.716 18.211 ( 8.969 -19.055 8.646) 22.766 18.702 ( -11.508 25.564 2.518) 28.148 18.828 ( -8.623 21.712 -2.518) 23.497 19.350 ( -6.849 -16.475 0.436) 17.848 19.457 ( -0.201 -15.415 -11.468) 19.214 19.514 ( -1.300 0.984 -20.459) 20.524 19.589 ( -6.570 -8.239 -12.278) 16.180 22.619 ( 4.737 4.180 7.102) 9.505 22.696 ( 5.838 -3.524 5.644) 8.852 23.218 ( 4.532 3.723 7.543) 9.554 23.268 ( 5.487 -1.278 6.597) 8.675 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -3.833 0.000 -21.929) 22.261 2.137 ( 3.833 0.000 21.929) 22.261 2.200 ( -0.580 0.000 -23.462) 23.469 2.200 ( 0.580 0.000 23.462) 23.469 3.894 ( 3.678 0.000 -18.562) 18.923 3.894 ( -3.678 0.000 18.562) 18.923 4.349 ( 3.624 0.000 -35.202) 35.388 4.349 ( -3.624 0.000 35.202) 35.388 4.750 ( -6.969 0.000 0.874) 7.023 4.750 ( 6.969 0.000 -0.874) 7.023 5.075 ( -6.414 0.000 0.012) 6.414 5.075 ( 6.414 0.000 -0.012) 6.414 5.225 ( -5.933 0.000 -5.457) 8.061 5.225 ( 5.933 0.000 5.457) 8.061 5.694 ( 2.937 0.000 -4.548) 5.414 5.694 ( -2.937 0.000 4.548) 5.414 5.853 ( -13.712 0.000 -9.310) 16.574 5.853 ( 13.712 0.000 9.310) 16.574 6.128 ( 3.960 0.000 -2.501) 4.684 6.128 ( -3.960 0.000 2.501) 4.684 6.493 ( 2.509 0.000 -6.473) 6.943 6.493 ( -2.509 0.000 6.473) 6.943 6.645 ( 14.959 0.000 -29.061) 32.685 6.645 ( -14.959 0.000 29.061) 32.685 6.854 ( 1.545 0.000 -9.618) 9.741 6.854 ( -1.545 0.000 9.618) 9.741 7.263 ( -3.554 0.000 -11.590) 12.123 7.263 ( 3.554 0.000 11.590) 12.123 7.794 ( -4.429 0.000 -2.584) 5.127 7.794 ( 4.429 0.000 2.584) 5.127 8.687 ( -0.638 0.000 -5.145) 5.184 8.687 ( 0.638 0.000 5.145) 5.184 9.237 ( 2.199 0.000 -7.754) 8.059 9.237 ( -2.199 0.000 7.754) 8.059 9.636 ( -1.730 0.000 -3.132) 3.578 9.636 ( 1.730 0.000 3.132) 3.578 10.736 ( -6.697 0.000 -0.750) 6.739 10.736 ( 6.697 0.000 0.750) 6.739 11.004 ( 3.449 0.000 -1.787) 3.884 11.004 ( -3.449 0.000 1.787) 3.884 11.476 ( -4.571 0.000 0.372) 4.586 11.476 ( 4.571 0.000 -0.372) 4.586 12.638 ( -2.888 0.000 -0.885) 3.021 12.638 ( 2.888 0.000 0.885) 3.021 12.935 ( -2.251 0.000 -6.015) 6.422 12.935 ( 2.251 0.000 6.015) 6.422 13.298 ( -0.909 0.000 -6.021) 6.089 13.298 ( 0.909 0.000 6.021) 6.089 17.015 ( -0.489 0.000 -1.803) 1.868 17.015 ( 0.489 0.000 1.803) 1.868 18.217 ( 2.401 0.000 -34.424) 34.507 18.217 ( -2.401 0.000 34.424) 34.507 19.816 ( 0.191 0.000 -0.494) 0.529 19.816 ( -0.191 0.000 0.494) 0.529 20.322 ( 1.379 0.000 -2.501) 2.856 20.322 ( -1.379 0.000 2.501) 2.856 22.518 ( -0.195 0.000 -12.429) 12.431 22.518 ( 0.195 0.000 12.429) 12.431 23.093 ( -0.014 0.000 -2.838) 2.838 23.093 ( 0.014 0.000 2.838) 2.838 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 13.859 0.000 -25.962) 29.429 1.973 ( 14.585 0.000 -28.577) 32.083 2.584 ( 13.961 0.000 20.654) 24.930 2.613 ( 12.413 0.000 22.717) 25.887 3.526 ( 3.695 0.000 -42.599) 42.759 3.903 ( -8.004 0.000 7.260) 10.806 4.188 ( 5.274 0.000 -14.105) 15.059 4.642 ( -6.391 0.000 5.108) 8.182 4.764 ( -5.459 0.000 29.157) 29.663 4.834 ( 3.835 0.000 -2.483) 4.569 4.889 ( -13.109 0.000 -0.298) 13.113 5.089 ( -3.592 0.000 -5.039) 6.188 5.139 ( 1.153 0.000 -2.983) 3.198 5.262 ( -11.138 0.000 -9.671) 14.751 5.512 ( 5.005 0.000 2.463) 5.578 5.676 ( 1.635 0.000 -2.746) 3.196 5.795 ( 6.560 0.000 0.313) 6.568 5.967 ( -3.970 0.000 -5.758) 6.994 6.131 ( 2.373 0.000 1.108) 2.618 6.197 ( -1.925 0.000 12.001) 12.154 6.317 ( -3.866 0.000 -22.156) 22.490 6.473 ( -20.895 0.000 14.487) 25.426 6.572 ( 6.858 0.000 -5.476) 8.776 6.742 ( 9.491 0.000 9.425) 13.375 6.875 ( 4.147 0.000 -9.534) 10.397 7.046 ( -0.071 0.000 13.553) 13.553 7.163 ( 9.390 0.000 -8.584) 12.722 7.486 ( 7.606 0.000 9.479) 12.153 7.718 ( -2.041 0.000 -0.557) 2.115 7.933 ( 5.716 0.000 8.092) 9.907 8.591 ( -5.118 0.000 -3.132) 6.000 8.713 ( -5.108 0.000 4.351) 6.710 9.198 ( 3.799 0.000 -8.215) 9.051 9.309 ( 1.711 0.000 4.856) 5.148 9.575 ( -1.036 0.000 -3.082) 3.251 9.699 ( 2.560 0.000 1.156) 2.809 10.600 ( -8.137 0.000 -0.423) 8.148 10.826 ( 2.542 0.000 0.506) 2.592 10.953 ( -4.069 0.000 1.489) 4.333 11.016 ( 1.404 0.000 -2.297) 2.692 11.396 ( -5.966 0.000 1.578) 6.171 11.524 ( 0.137 0.000 1.326) 1.333 12.544 ( -7.281 0.000 0.290) 7.286 12.650 ( -3.292 0.000 2.801) 4.322 12.881 ( 4.302 0.000 -6.586) 7.866 13.083 ( 6.319 0.000 6.080) 8.769 13.273 ( 5.368 0.000 -3.171) 6.234 13.408 ( 3.273 0.000 5.471) 6.375 17.055 ( 7.630 0.000 -1.658) 7.808 17.113 ( 8.670 0.000 1.708) 8.837 17.886 ( 4.369 0.000 -31.178) 31.483 18.598 ( -1.262 0.000 34.812) 34.834 19.774 ( -4.410 0.000 -0.470) 4.435 19.776 ( -5.139 0.000 0.282) 5.147 20.186 ( -13.144 0.000 -2.354) 13.353 20.198 ( -15.253 0.000 2.155) 15.405 22.432 ( 6.760 0.000 -12.539) 14.245 22.717 ( 5.520 0.000 10.519) 11.879 23.060 ( 2.042 0.000 -5.676) 6.033 23.137 ( 3.051 0.000 1.258) 3.300 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 27.744 0.000 -18.821) 33.525 2.016 ( 26.307 0.000 -22.955) 34.914 3.042 ( 15.281 0.000 14.050) 20.759 3.074 ( 16.010 0.000 8.528) 18.140 3.238 ( 19.518 0.000 -31.501) 37.057 3.850 ( -7.391 0.000 4.318) 8.560 4.096 ( 1.286 0.000 -8.186) 8.287 4.520 ( -20.912 0.000 -7.577) 22.242 4.623 ( -5.078 0.000 1.631) 5.334 4.668 ( -9.225 0.000 -5.138) 10.559 4.819 ( -1.852 0.000 -0.392) 1.893 4.966 ( -2.457 0.000 -3.386) 4.184 5.177 ( 4.535 0.000 -1.057) 4.656 5.188 ( -4.790 0.000 6.630) 8.180 5.639 ( -1.668 0.000 10.834) 10.962 5.647 ( -6.173 0.000 -2.346) 6.604 5.767 ( -4.681 0.000 -7.115) 8.517 5.983 ( 5.633 0.000 -5.667) 7.990 6.028 ( 10.422 0.000 -16.374) 19.409 6.256 ( -12.854 0.000 5.929) 14.156 6.267 ( 6.402 0.000 5.051) 8.155 6.276 ( -8.820 0.000 9.785) 13.173 6.615 ( 0.233 0.000 2.157) 2.170 6.820 ( 3.101 0.000 -2.264) 3.840 6.962 ( 2.088 0.000 5.896) 6.254 7.170 ( 0.496 0.000 9.734) 9.747 7.288 ( 14.925 0.000 -10.743) 18.389 7.692 ( 7.674 0.000 3.076) 8.267 7.725 ( 1.990 0.000 1.464) 2.470 8.196 ( 9.066 0.000 14.039) 16.712 8.412 ( -11.936 0.000 -4.082) 12.614 8.599 ( -12.735 0.000 1.749) 12.855 9.152 ( 2.955 0.000 -8.751) 9.236 9.399 ( 5.032 0.000 0.542) 5.061 9.540 ( 0.043 0.000 -0.647) 0.648 9.750 ( 4.077 0.000 -1.296) 4.278 10.476 ( -7.840 0.000 2.258) 8.159 10.806 ( -5.455 0.000 0.154) 5.457 10.930 ( -1.436 0.000 3.169) 3.479 11.028 ( 3.652 0.000 -2.134) 4.230 11.325 ( -4.184 0.000 1.142) 4.337 11.506 ( -3.439 0.000 0.395) 3.462 12.417 ( -8.257 0.000 0.728) 8.289 12.626 ( -3.481 0.000 3.041) 4.622 12.900 ( 5.572 0.000 -4.870) 7.400 13.272 ( 6.631 0.000 6.711) 9.434 13.407 ( 8.650 0.000 4.711) 9.850 13.514 ( 2.372 0.000 4.109) 4.745 17.227 ( 14.726 0.000 -1.298) 14.783 17.339 ( 15.804 0.000 1.235) 15.853 17.640 ( 6.787 0.000 -25.898) 26.773 18.962 ( -2.786 0.000 30.875) 31.000 19.650 ( -10.006 0.000 0.044) 10.006 19.659 ( -8.692 0.000 -0.293) 8.697 19.872 ( -19.456 0.000 -2.084) 19.567 19.949 ( -15.350 0.000 3.078) 15.655 22.423 ( 8.012 0.000 -10.953) 13.570 22.861 ( 0.316 0.000 4.040) 4.052 23.031 ( 4.065 0.000 -7.837) 8.828 23.234 ( 4.992 0.000 1.977) 5.369 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 30.301 0.000 -13.698) 33.253 2.297 ( 29.273 0.000 -15.384) 33.070 3.296 ( 28.490 0.000 -15.505) 32.435 3.397 ( 11.958 0.000 7.075) 13.894 3.463 ( 12.830 0.000 3.304) 13.248 3.672 ( -15.433 0.000 -3.419) 15.807 4.083 ( -1.985 0.000 -0.331) 2.012 4.207 ( -6.188 0.000 0.486) 6.207 4.532 ( 3.161 0.000 -1.379) 3.449 4.612 ( -4.283 0.000 4.498) 6.211 4.808 ( -1.244 0.000 3.757) 3.957 4.831 ( -2.393 0.000 -11.414) 11.662 5.137 ( -5.673 0.000 2.766) 6.311 5.168 ( -2.870 0.000 -10.485) 10.871 5.442 ( -6.830 0.000 1.292) 6.951 5.711 ( 2.126 0.000 -4.924) 5.363 5.745 ( -0.795 0.000 10.481) 10.511 5.879 ( 5.247 0.000 -12.928) 13.952 6.100 ( -6.862 0.000 -0.187) 6.865 6.135 ( 7.186 0.000 -3.895) 8.173 6.266 ( -6.165 0.000 6.992) 9.322 6.439 ( 5.497 0.000 5.447) 7.739 6.614 ( -4.877 0.000 4.258) 6.474 6.955 ( -10.692 0.000 7.468) 13.042 7.010 ( 13.522 0.000 5.534) 14.611 7.249 ( 1.653 0.000 -1.690) 2.364 7.380 ( 13.120 0.000 -10.609) 16.873 7.756 ( -3.413 0.000 0.483) 3.447 7.778 ( -3.493 0.000 -0.529) 3.533 8.166 ( -8.108 0.000 -0.601) 8.130 8.363 ( -13.571 0.000 -0.570) 13.583 8.504 ( 8.743 0.000 10.146) 13.393 9.119 ( 4.844 0.000 -7.075) 8.574 9.480 ( 5.867 0.000 -2.512) 6.382 9.577 ( 2.980 0.000 2.706) 4.025 9.824 ( 6.881 0.000 -1.175) 6.981 10.366 ( -10.439 0.000 4.016) 11.185 10.671 ( -9.876 0.000 -0.365) 9.882 10.979 ( 0.549 0.000 6.010) 6.035 11.078 ( 4.019 0.000 -0.881) 4.114 11.285 ( -0.729 0.000 -0.898) 1.157 11.429 ( -3.661 0.000 -2.679) 4.536 12.296 ( -7.209 0.000 1.256) 7.318 12.587 ( -4.072 0.000 0.106) 4.073 12.958 ( 5.944 0.000 -1.243) 6.073 13.434 ( 2.213 0.000 6.358) 6.732 13.590 ( 2.829 0.000 2.591) 3.837 13.618 ( 5.178 0.000 9.076) 10.449 17.503 ( 11.129 0.000 -18.225) 21.354 17.507 ( 19.746 0.000 -0.755) 19.761 17.678 ( 20.609 0.000 0.134) 20.609 19.103 ( -17.189 0.000 12.128) 21.037 19.448 ( -14.300 0.000 0.131) 14.300 19.476 ( -12.795 0.000 -0.106) 12.795 19.622 ( -8.977 0.000 9.517) 13.083 19.811 ( -8.217 0.000 7.373) 11.040 22.434 ( 6.917 0.000 -8.371) 10.859 22.848 ( -3.162 0.000 -0.879) 3.282 23.018 ( 5.636 0.000 -7.982) 9.771 23.288 ( 0.594 0.000 -1.554) 1.664 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 27.941 0.000 -12.738) 30.707 2.672 ( 28.736 0.000 -5.538) 29.264 3.371 ( -16.219 0.000 1.271) 16.269 3.616 ( 10.262 0.000 -0.949) 10.306 3.626 ( 15.313 0.000 -2.096) 15.455 3.682 ( 6.004 0.000 6.250) 8.667 3.928 ( -8.185 0.000 -0.056) 8.185 4.233 ( 0.154 0.000 7.820) 7.822 4.536 ( -6.366 0.000 -2.083) 6.698 4.647 ( -2.644 0.000 -10.886) 11.203 4.678 ( 3.167 0.000 1.346) 3.441 4.855 ( -14.102 0.000 -9.622) 17.071 4.936 ( 12.733 0.000 4.488) 13.501 5.147 ( 2.155 0.000 3.772) 4.344 5.527 ( 14.149 0.000 -1.337) 14.212 5.696 ( -0.048 0.000 -0.087) 0.099 5.791 ( 0.121 0.000 -3.100) 3.102 5.879 ( -0.006 0.000 5.278) 5.278 6.018 ( 0.837 0.000 -4.349) 4.429 6.219 ( 7.651 0.000 -3.070) 8.244 6.265 ( -3.187 0.000 7.273) 7.940 6.498 ( -5.931 0.000 2.542) 6.453 6.652 ( 5.518 0.000 4.694) 7.244 6.813 ( -13.602 0.000 4.271) 14.257 7.157 ( 5.003 0.000 -7.774) 9.244 7.193 ( 0.310 0.000 -9.132) 9.137 7.501 ( -23.998 0.000 -1.215) 24.029 7.557 ( -13.582 0.000 -5.003) 14.474 7.634 ( 18.569 0.000 6.085) 19.541 8.170 ( -2.296 0.000 8.974) 9.263 8.239 ( 1.623 0.000 -3.843) 4.172 8.638 ( -3.018 0.000 1.162) 3.233 9.187 ( 10.870 0.000 -2.299) 11.111 9.534 ( 3.038 0.000 -1.728) 3.495 9.692 ( 6.793 0.000 2.549) 7.255 9.948 ( 8.067 0.000 0.079) 8.068 10.220 ( -11.989 0.000 3.719) 12.553 10.485 ( -11.171 0.000 -0.808) 11.200 11.075 ( 0.861 0.000 7.480) 7.530 11.132 ( 1.451 0.000 1.937) 2.420 11.275 ( 3.236 0.000 -4.763) 5.759 11.335 ( -2.363 0.000 -4.165) 4.789 12.220 ( -3.875 0.000 2.320) 4.516 12.486 ( -5.678 0.000 -3.108) 6.473 13.072 ( 7.328 0.000 1.481) 7.476 13.461 ( -4.849 0.000 2.924) 5.662 13.692 ( 4.827 0.000 2.633) 5.499 13.764 ( 1.236 0.000 6.365) 6.484 17.562 ( 16.635 0.000 -10.460) 19.651 17.850 ( 20.967 0.000 -0.122) 20.968 18.046 ( 22.088 0.000 -0.159) 22.089 18.747 ( -26.178 0.000 -1.107) 26.201 19.179 ( -17.739 0.000 0.374) 17.743 19.237 ( -15.535 0.000 -0.152) 15.536 19.729 ( -0.885 0.000 13.975) 14.003 19.819 ( -3.338 0.000 8.508) 9.139 22.463 ( 6.255 0.000 -5.163) 8.110 22.755 ( -4.969 0.000 -2.709) 5.660 23.034 ( 6.050 0.000 -5.794) 8.377 23.238 ( -2.263 0.000 -3.372) 4.061 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 23.982 0.000 -9.826) 25.916 3.089 ( 23.144 0.000 -0.431) 23.148 3.161 ( -15.896 0.000 8.405) 17.981 3.482 ( -17.941 0.000 -4.190) 18.424 3.732 ( 9.057 0.000 -6.330) 11.050 3.768 ( -4.354 0.000 7.626) 8.781 4.096 ( 9.363 0.000 10.739) 14.248 4.308 ( -3.278 0.000 1.191) 3.488 4.402 ( -2.883 0.000 -0.511) 2.928 4.534 ( -8.276 0.000 -9.536) 12.627 4.552 ( 3.376 0.000 -3.266) 4.697 4.638 ( -4.513 0.000 -2.430) 5.126 5.203 ( 7.748 0.000 3.065) 8.333 5.236 ( 2.859 0.000 1.368) 3.169 5.713 ( 7.699 0.000 -5.109) 9.240 5.757 ( -3.330 0.000 2.540) 4.188 5.776 ( 8.999 0.000 0.567) 9.017 5.891 ( -6.791 0.000 4.391) 8.087 6.105 ( 11.621 0.000 3.304) 12.082 6.263 ( -0.810 0.000 -2.550) 2.676 6.346 ( 4.176 0.000 6.026) 7.332 6.436 ( 4.467 0.000 -7.841) 9.024 6.649 ( -7.555 0.000 1.916) 7.794 6.746 ( -7.558 0.000 2.337) 7.911 7.059 ( -14.814 0.000 2.424) 15.011 7.080 ( 0.487 0.000 -10.019) 10.031 7.156 ( 1.918 0.000 -1.123) 2.222 7.292 ( -11.545 0.000 -2.711) 11.859 8.052 ( 18.884 0.000 6.833) 20.083 8.220 ( -5.581 0.000 9.428) 10.956 8.255 ( 6.628 0.000 -6.273) 9.125 8.453 ( -13.580 0.000 -5.524) 14.661 9.379 ( 10.677 0.000 0.895) 10.714 9.516 ( -3.608 0.000 -1.305) 3.837 9.854 ( 9.755 0.000 0.771) 9.785 10.015 ( -7.598 0.000 1.316) 7.711 10.134 ( 4.783 0.000 1.394) 4.982 10.291 ( -10.286 0.000 -1.015) 10.336 11.163 ( 0.703 0.000 4.012) 4.073 11.170 ( -1.050 0.000 3.894) 4.033 11.267 ( -2.062 0.000 -0.352) 2.092 11.267 ( 4.217 0.000 -7.545) 8.644 12.234 ( 1.449 0.000 3.701) 3.974 12.344 ( -5.344 0.000 -4.249) 6.828 13.224 ( 8.214 0.000 1.661) 8.380 13.370 ( -7.565 0.000 0.017) 7.565 13.783 ( 3.142 0.000 1.015) 3.302 13.813 ( -1.108 0.000 2.173) 2.439 17.806 ( 21.205 0.000 -3.021) 21.419 18.093 ( -2.690 0.000 -0.645) 2.766 18.357 ( 13.171 0.000 -2.054) 13.330 18.381 ( -6.691 0.000 0.944) 6.757 18.913 ( -11.554 0.000 1.554) 11.658 18.973 ( -13.413 0.000 -1.100) 13.458 19.841 ( -0.011 0.000 5.557) 5.557 19.860 ( -1.090 0.000 3.357) 3.530 22.528 ( 6.200 0.000 -1.420) 6.361 22.634 ( -5.948 0.000 -1.754) 6.201 23.083 ( 5.282 0.000 -2.223) 5.730 23.155 ( -3.885 0.000 -1.363) 4.117 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 1.832 15.730 -24.045) 28.792 2.309 ( -1.832 15.730 24.045) 28.792 2.399 ( -5.787 17.782 -23.239) 29.829 2.399 ( 5.787 17.782 23.239) 29.829 3.890 ( 3.474 0.264 -13.611) 14.050 3.890 ( -3.474 0.264 13.611) 14.050 4.373 ( 3.558 1.214 -34.669) 34.872 4.373 ( -3.558 1.214 34.669) 34.872 4.708 ( -2.205 -5.322 -4.566) 7.351 4.708 ( 2.205 -5.322 4.566) 7.351 4.914 ( 0.633 -11.720 -5.524) 12.972 4.914 ( -0.633 -11.720 5.524) 12.972 5.194 ( -2.009 -1.947 -2.520) 3.765 5.194 ( 2.009 -1.947 2.520) 3.765 5.604 ( -4.971 -3.115 -2.949) 6.565 5.604 ( 4.971 -3.115 2.949) 6.565 6.036 ( -3.833 6.984 -3.502) 8.702 6.036 ( 3.833 6.984 3.502) 8.702 6.169 ( -9.703 5.306 -9.587) 14.636 6.169 ( 9.703 5.306 9.587) 14.636 6.400 ( 0.502 -9.539 -9.814) 13.695 6.400 ( -0.502 -9.539 9.814) 13.695 6.610 ( 5.528 2.155 -5.521) 8.104 6.610 ( -5.528 2.155 5.521) 8.104 6.898 ( -1.685 4.443 -8.948) 10.132 6.898 ( 1.685 4.443 8.948) 10.132 7.401 ( 0.092 10.726 -5.785) 12.187 7.401 ( -0.092 10.726 5.785) 12.187 7.912 ( -2.881 9.068 -3.246) 10.053 7.912 ( 2.881 9.068 3.246) 10.053 8.640 ( -1.413 -4.497 -5.676) 7.379 8.640 ( 1.413 -4.497 5.676) 7.379 9.230 ( -0.256 -0.856 -8.366) 8.414 9.230 ( 0.256 -0.856 8.366) 8.414 9.666 ( -0.515 3.463 -0.196) 3.507 9.666 ( 0.515 3.463 0.196) 3.507 10.639 ( -2.369 -7.271 -2.158) 7.946 10.639 ( 2.369 -7.271 2.158) 7.946 11.066 ( 0.671 3.674 -5.147) 6.359 11.066 ( -0.671 3.674 5.147) 6.359 11.486 ( -0.657 1.298 -3.000) 3.334 11.486 ( 0.657 1.298 3.000) 3.334 12.593 ( -2.385 -4.312 -1.785) 5.241 12.593 ( 2.385 -4.312 1.785) 5.241 12.916 ( -1.742 -1.862 -6.527) 7.007 12.916 ( 1.742 -1.862 6.527) 7.007 13.220 ( -0.638 -7.036 -10.610) 12.747 13.220 ( 0.638 -7.036 10.610) 12.747 17.161 ( -0.511 14.099 -2.028) 14.254 17.161 ( 0.511 14.099 2.028) 14.254 18.236 ( 2.235 1.886 -33.796) 33.922 18.236 ( -2.235 1.886 33.796) 33.922 19.673 ( -1.042 -12.480 -1.061) 12.569 19.673 ( 1.042 -12.480 1.061) 12.569 20.263 ( 1.230 -5.875 -2.482) 6.496 20.263 ( -1.230 -5.875 2.482) 6.496 22.608 ( -0.274 7.175 -11.641) 13.677 22.608 ( 0.274 7.175 11.641) 13.677 23.132 ( -0.034 3.911 -3.286) 5.108 23.132 ( 0.034 3.911 3.286) 5.108 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.081 14.283 -27.613) 31.355 2.275 ( 16.634 22.069 -20.512) 34.416 2.611 ( 6.981 7.432 21.482) 23.780 2.848 ( 14.884 16.516 18.692) 29.046 3.609 ( 4.424 7.844 -36.067) 37.174 3.890 ( -6.043 -0.663 5.080) 7.922 4.192 ( 5.755 0.717 -14.124) 15.268 4.579 ( -3.216 -7.483 -4.315) 9.217 4.698 ( -7.727 -13.879 13.598) 20.910 4.770 ( -3.846 -4.407 -1.941) 6.163 4.839 ( -3.089 -2.559 9.413) 10.232 4.935 ( 0.002 -2.303 4.455) 5.015 5.080 ( -6.525 -2.237 -4.124) 8.037 5.329 ( 3.483 -4.197 2.954) 6.202 5.445 ( -5.928 -3.473 0.982) 6.940 5.706 ( 6.088 -6.458 -3.287) 9.464 5.870 ( -2.660 12.195 -5.606) 13.683 5.984 ( -2.554 0.999 -2.606) 3.783 6.008 ( -3.864 2.846 -3.228) 5.784 6.258 ( -6.390 -6.313 -8.888) 12.637 6.365 ( -12.467 -3.570 11.136) 17.093 6.423 ( 1.678 4.056 -2.704) 5.155 6.602 ( 7.735 -1.447 3.032) 8.433 6.747 ( 11.855 10.038 1.515) 15.608 6.860 ( 4.515 -0.925 -4.850) 6.691 7.066 ( 2.771 3.468 8.573) 9.654 7.371 ( 1.629 14.573 0.997) 14.698 7.542 ( 6.017 4.637 3.399) 8.323 7.845 ( -1.601 9.325 0.498) 9.474 8.030 ( 4.454 8.193 7.420) 11.917 8.526 ( -5.494 -6.439 -3.792) 9.275 8.683 ( -4.206 -2.803 4.596) 6.831 9.112 ( -0.144 -5.361 -11.022) 12.258 9.322 ( 2.501 0.040 3.240) 4.094 9.689 ( 0.956 6.317 2.905) 7.019 9.706 ( 2.441 4.587 1.825) 5.507 10.523 ( -7.034 -6.514 -2.135) 9.822 10.692 ( 1.460 -7.964 0.796) 8.136 11.022 ( 1.703 1.060 -4.058) 4.527 11.080 ( -5.112 5.608 4.511) 8.828 11.412 ( -4.196 1.958 -0.427) 4.650 11.546 ( 0.470 2.312 3.164) 3.947 12.501 ( -6.503 -4.180 -0.375) 7.740 12.613 ( -2.986 -3.578 3.269) 5.693 12.861 ( 4.410 -2.065 -7.095) 8.605 13.060 ( 6.336 -2.716 4.978) 8.503 13.154 ( 6.739 -9.063 -7.027) 13.302 13.380 ( 3.317 -3.540 9.568) 10.727 17.191 ( 6.753 13.044 -2.232) 14.857 17.259 ( 8.324 14.068 2.027) 16.472 17.912 ( 4.656 2.753 -30.342) 30.820 18.610 ( -1.315 1.090 33.780) 33.823 19.587 ( -7.832 -14.445 -0.520) 16.440 19.650 ( -5.687 -11.063 2.296) 12.649 20.180 ( -7.508 -1.743 -0.927) 7.763 20.219 ( -6.886 -0.792 0.853) 6.984 22.495 ( 3.420 5.456 -11.781) 13.426 22.755 ( 1.744 2.761 8.393) 9.006 23.090 ( 1.277 2.940 -5.765) 6.596 23.175 ( 1.822 3.541 1.619) 4.299 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 20.906 4.397 -24.717) 32.670 2.369 ( 20.256 19.375 -19.089) 33.913 3.005 ( 13.370 2.431 14.193) 19.649 3.275 ( 14.069 13.095 8.813) 21.144 3.430 ( 20.603 16.920 -22.791) 35.074 3.846 ( -5.218 0.010 2.573) 5.818 4.130 ( 1.326 3.148 -6.422) 7.274 4.346 ( -12.865 -16.266 -14.837) 25.500 4.498 ( -6.905 -5.919 -1.981) 9.308 4.714 ( -9.543 2.231 -1.629) 9.935 4.835 ( -5.254 2.222 6.460) 8.618 4.945 ( 3.882 -9.248 0.866) 10.067 5.067 ( -1.695 1.793 2.811) 3.741 5.332 ( 0.311 1.952 -3.832) 4.312 5.507 ( -2.948 -9.107 7.242) 12.003 5.617 ( -11.551 -11.784 0.843) 16.523 5.733 ( 0.186 6.659 -4.383) 7.974 5.950 ( -1.975 -7.214 0.073) 7.480 6.019 ( -0.842 0.089 -13.829) 13.855 6.139 ( 6.728 0.762 0.671) 6.805 6.205 ( -4.753 2.595 2.496) 5.963 6.509 ( -0.320 5.599 6.706) 8.742 6.712 ( 0.814 4.561 3.916) 6.067 6.862 ( -0.225 7.363 1.100) 7.448 6.941 ( 8.819 -0.870 -0.349) 8.869 7.206 ( 3.453 3.637 5.331) 7.319 7.451 ( 6.650 12.687 -3.561) 14.760 7.598 ( 1.678 -3.349 0.971) 3.869 7.889 ( 1.333 8.463 2.302) 8.871 8.264 ( 8.278 5.465 12.227) 15.744 8.350 ( -9.006 -5.478 -4.040) 11.289 8.593 ( -11.109 -0.617 2.077) 11.319 8.980 ( 0.936 -9.336 -11.232) 14.635 9.397 ( 4.590 -0.674 -0.288) 4.648 9.745 ( 2.279 4.839 1.911) 5.680 9.770 ( 1.776 11.106 2.281) 11.476 10.388 ( -6.479 -7.402 -0.579) 9.854 10.719 ( -0.142 -5.349 1.375) 5.525 11.008 ( -4.030 1.641 1.363) 4.560 11.039 ( -0.511 2.725 1.329) 3.074 11.344 ( -2.363 2.438 -1.171) 3.591 11.560 ( -2.640 4.865 1.827) 5.829 12.384 ( -7.327 -3.196 0.554) 8.013 12.599 ( -3.162 -2.643 3.353) 5.313 12.879 ( 5.997 -2.087 -5.194) 8.204 13.211 ( 9.176 -8.980 0.403) 12.845 13.299 ( 9.511 -3.337 4.706) 11.124 13.535 ( 2.224 -0.793 8.562) 8.881 17.309 ( 10.919 7.248 -5.266) 14.124 17.482 ( 15.351 13.839 1.664) 20.735 17.711 ( 9.823 7.799 -21.561) 24.944 18.935 ( -5.403 -3.535 26.351) 27.130 19.429 ( -10.255 -12.946 3.170) 16.817 19.573 ( -8.095 -6.641 6.210) 12.174 20.002 ( -11.445 6.420 -2.041) 13.280 20.071 ( -11.573 7.308 1.388) 13.758 22.441 ( 5.287 1.695 -10.344) 11.740 22.825 ( -1.250 -3.330 2.432) 4.309 23.042 ( 2.634 1.111 -7.741) 8.252 23.223 ( 2.047 -0.825 -0.219) 2.218 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 30.588 -5.564 -15.242) 34.626 2.488 ( 22.306 10.779 -19.605) 31.593 3.350 ( 12.487 1.428 6.383) 14.097 3.541 ( 13.816 14.235 -0.145) 19.838 3.675 ( 8.969 14.938 -2.700) 17.631 3.706 ( -1.297 6.592 -2.228) 7.078 3.971 ( -7.579 -9.411 -4.340) 12.839 4.266 ( 7.501 2.245 3.179) 8.450 4.371 ( -0.422 -7.979 -3.147) 8.587 4.603 ( -5.059 0.417 2.165) 5.519 4.810 ( -4.985 2.045 3.247) 6.291 4.932 ( -6.684 -0.594 -10.056) 12.089 5.030 ( 3.051 -5.352 -1.522) 6.346 5.242 ( -6.054 2.502 -0.593) 6.577 5.388 ( -5.491 -2.267 0.977) 6.020 5.620 ( 2.910 -5.676 -2.516) 6.857 5.749 ( -0.818 -1.999 9.435) 9.679 5.878 ( 2.246 0.230 -8.986) 9.265 5.958 ( -1.582 -11.288 1.982) 11.569 6.075 ( -2.454 -4.697 -1.109) 5.414 6.300 ( 5.834 9.266 -3.329) 11.444 6.576 ( 0.821 2.624 4.469) 5.247 6.722 ( -6.209 11.059 4.380) 13.418 6.858 ( -3.538 -3.522 4.645) 6.819 7.067 ( 2.519 -5.243 -1.902) 6.120 7.321 ( 1.865 11.916 3.535) 12.569 7.410 ( 7.521 1.273 -7.424) 10.644 7.707 ( -3.109 -5.609 -0.171) 6.415 7.812 ( -4.756 4.126 -2.717) 6.857 8.187 ( -5.825 1.473 0.949) 6.083 8.409 ( -8.870 4.426 0.390) 9.921 8.564 ( 8.731 5.174 9.229) 13.717 8.902 ( 3.836 -12.115 -7.963) 14.997 9.463 ( 4.069 -2.213 -1.504) 4.870 9.818 ( 3.561 9.548 2.485) 10.489 9.837 ( 4.916 6.930 0.451) 8.509 10.280 ( -7.482 -6.089 1.126) 9.712 10.682 ( -6.948 0.041 1.161) 7.044 10.991 ( -1.441 1.070 5.938) 6.203 11.070 ( 2.600 -0.830 0.289) 2.744 11.315 ( 1.273 3.718 -2.459) 4.636 11.504 ( -3.848 6.211 -1.466) 7.452 12.277 ( -6.438 -1.815 1.293) 6.813 12.570 ( -3.675 -1.771 0.378) 4.097 12.940 ( 6.151 -1.714 -1.471) 6.552 13.361 ( 4.548 -7.817 3.171) 9.583 13.517 ( 8.270 -1.752 5.691) 10.190 13.659 ( 1.388 0.296 7.908) 8.034 17.368 ( 10.411 -3.862 -13.163) 17.222 17.767 ( 18.875 16.180 -3.483) 25.103 17.838 ( 20.696 15.337 -1.253) 25.790 18.882 ( -19.942 -17.015 3.690) 26.473 19.457 ( -4.210 1.970 15.901) 16.567 19.540 ( -7.728 1.969 10.434) 13.133 19.761 ( -14.156 10.117 -0.694) 17.414 19.898 ( -10.558 8.571 2.622) 13.849 22.422 ( 5.301 -1.110 -8.047) 9.700 22.782 ( -3.564 -6.625 -2.002) 7.784 23.003 ( 3.959 -1.394 -7.927) 8.970 23.217 ( 0.032 -5.731 -3.631) 6.784 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 29.979 -10.474 -5.928) 32.305 2.684 ( 24.793 5.818 -14.141) 29.129 3.361 ( -14.318 -0.674 0.664) 14.349 3.591 ( 6.981 1.692 0.889) 7.238 3.753 ( -7.098 -2.338 -3.951) 8.454 3.866 ( 7.158 11.994 5.076) 14.861 3.973 ( 9.564 14.939 6.911) 19.037 4.293 ( -0.097 3.463 3.171) 4.696 4.510 ( 1.755 -6.191 -4.333) 7.758 4.555 ( 0.123 0.394 -2.416) 2.451 4.726 ( -3.363 -0.254 -6.591) 7.404 4.792 ( 1.965 -6.857 -1.383) 7.266 4.888 ( -7.328 3.145 -0.589) 7.996 5.291 ( 0.306 5.670 7.858) 9.695 5.423 ( 10.989 -6.301 -1.630) 12.772 5.639 ( 3.803 -3.259 0.343) 5.020 5.784 ( -1.448 -2.276 -6.703) 7.226 5.885 ( 3.285 0.052 6.223) 7.037 5.972 ( 2.465 -6.740 -0.267) 7.182 6.095 ( 0.854 -7.213 6.268) 9.594 6.346 ( 3.550 8.323 -2.013) 9.269 6.584 ( -6.912 2.337 -2.616) 7.751 6.657 ( -1.533 2.886 1.912) 3.786 6.811 ( -8.207 -1.297 4.183) 9.302 7.008 ( -1.751 -10.951 -2.258) 11.317 7.213 ( 0.783 0.782 -12.799) 12.847 7.418 ( -16.618 -5.721 -6.579) 18.766 7.640 ( -17.217 4.409 -2.305) 17.921 7.729 ( 16.690 9.124 9.679) 21.342 8.192 ( 3.652 3.897 2.510) 5.902 8.358 ( -1.074 8.833 1.619) 9.044 8.672 ( -3.202 2.224 -0.949) 4.013 8.986 ( 12.202 -11.204 -0.183) 16.566 9.475 ( -0.877 -6.208 -1.709) 6.498 9.923 ( 4.522 14.859 3.089) 15.836 9.947 ( 8.067 0.087 0.216) 8.071 10.171 ( -6.262 -2.264 0.808) 6.708 10.530 ( -11.696 2.859 0.741) 12.063 11.082 ( 1.675 0.786 7.483) 7.708 11.131 ( 3.325 0.430 1.409) 3.636 11.311 ( 2.889 4.006 -5.048) 7.062 11.414 ( -3.617 6.438 -2.522) 7.803 12.212 ( -3.315 -0.678 2.299) 4.090 12.477 ( -5.312 -0.843 -2.930) 6.125 13.052 ( 7.170 -1.869 1.406) 7.542 13.407 ( -2.541 -5.020 1.866) 5.928 13.690 ( 5.511 0.273 3.943) 6.782 13.765 ( 1.133 -0.126 5.739) 5.851 17.437 ( 14.830 -7.493 -9.258) 19.021 18.065 ( 17.225 15.064 -1.439) 22.928 18.209 ( 22.295 15.413 -0.034) 27.104 18.536 ( -18.773 -13.465 -0.119) 23.103 19.372 ( -16.614 14.173 2.017) 21.931 19.411 ( -17.174 14.227 1.561) 22.356 19.733 ( -0.989 0.394 13.358) 13.400 19.832 ( -4.054 1.669 6.664) 7.976 22.430 ( 5.012 -3.229 -5.176) 7.896 22.677 ( -4.659 -8.101 -3.543) 9.994 22.994 ( 4.705 -3.781 -5.761) 8.344 23.155 ( -1.514 -6.963 -4.035) 8.189 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 24.304 -6.910 -2.605) 25.401 2.958 ( 23.481 -1.224 -6.260) 24.332 3.167 ( -15.943 0.756 7.505) 17.637 3.366 ( -19.182 -8.545 -5.799) 21.785 3.829 ( 7.287 7.095 1.658) 10.305 3.922 ( -3.138 11.315 1.117) 11.795 4.211 ( 5.517 7.543 10.657) 14.175 4.354 ( 0.056 4.162 3.695) 5.566 4.407 ( -2.054 0.974 -6.282) 6.681 4.485 ( -5.073 -3.096 -5.081) 7.818 4.569 ( 1.969 0.762 -4.890) 5.326 4.662 ( -6.447 2.556 -2.701) 7.443 5.096 ( 12.799 -4.006 4.096) 14.023 5.281 ( -7.388 0.911 1.770) 7.651 5.597 ( 11.337 -10.191 -8.014) 17.222 5.672 ( -6.236 -8.278 2.074) 10.569 5.847 ( 10.960 6.195 9.306) 15.656 6.018 ( -2.913 4.924 6.173) 8.417 6.054 ( 10.252 -3.929 0.119) 10.980 6.202 ( 0.690 -5.500 2.080) 5.920 6.291 ( -1.501 -1.368 -3.704) 4.224 6.431 ( -0.497 -1.763 -6.952) 7.190 6.618 ( 0.354 -1.803 -3.609) 4.050 6.720 ( -13.396 -3.345 4.236) 14.442 6.994 ( -2.988 -2.606 6.684) 7.772 7.092 ( -1.537 -0.004 -12.473) 12.567 7.148 ( 0.412 0.039 -0.139) 0.437 7.314 ( -14.209 1.895 -3.235) 14.696 8.123 ( 14.390 5.417 9.978) 18.330 8.277 ( 4.854 5.922 -2.696) 8.118 8.359 ( -1.846 8.162 2.839) 8.836 8.499 ( -10.759 4.097 -5.851) 12.914 9.209 ( 11.788 -11.130 1.456) 16.278 9.388 ( -7.323 -10.333 -1.288) 12.730 10.019 ( 3.238 8.360 2.054) 9.198 10.079 ( 0.009 6.137 -1.149) 6.244 10.131 ( 7.743 0.705 1.163) 7.862 10.328 ( -12.466 3.517 -0.010) 12.952 11.186 ( 0.367 1.991 6.091) 6.419 11.208 ( 2.698 3.879 1.658) 5.008 11.286 ( 2.202 2.819 -4.917) 6.080 11.331 ( -2.871 5.184 -2.440) 6.409 12.233 ( 1.713 -0.091 3.557) 3.949 12.342 ( -5.240 -0.196 -4.085) 6.647 13.200 ( 7.732 -2.362 1.785) 8.279 13.336 ( -6.505 -3.243 -0.346) 7.277 13.792 ( 2.806 0.892 1.476) 3.294 13.817 ( -0.468 0.407 1.893) 1.992 17.656 ( 19.629 -10.377 -2.985) 22.403 17.993 ( -19.536 -10.963 -1.543) 22.455 18.518 ( 15.568 16.900 2.039) 23.068 18.585 ( 14.253 17.495 -1.150) 22.595 19.081 ( -14.248 13.932 0.526) 19.935 19.134 ( -15.633 14.987 -0.382) 21.659 19.842 ( 0.021 0.121 5.381) 5.383 19.860 ( -1.066 0.060 3.209) 3.382 22.473 ( 5.023 -5.462 -1.595) 7.590 22.560 ( -5.019 -7.474 -1.920) 9.205 23.024 ( 4.287 -5.429 -2.129) 7.238 23.083 ( -2.996 -6.455 -1.542) 7.282 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 7.316 20.247 -17.118) 27.504 2.693 ( -7.316 20.247 17.118) 27.504 2.816 ( -8.981 21.622 -15.653) 28.164 2.816 ( 8.981 21.622 15.653) 28.164 3.903 ( 1.644 -0.293 -7.263) 7.452 3.903 ( -1.644 -0.293 7.263) 7.452 4.308 ( 2.141 -9.886 -15.195) 18.254 4.308 ( -2.141 -9.886 15.195) 18.254 4.513 ( -2.858 -8.908 -6.194) 11.220 4.513 ( 2.858 -8.908 6.194) 11.220 4.792 ( -1.594 -2.860 -2.156) 3.920 4.792 ( 1.594 -2.860 2.156) 3.920 5.206 ( -8.757 5.990 -4.174) 11.401 5.206 ( 8.757 5.990 4.174) 11.401 5.590 ( -1.701 1.578 -5.671) 6.127 5.590 ( 1.701 1.578 5.671) 6.127 6.071 ( -8.338 -4.154 -7.555) 11.994 6.071 ( 8.338 -4.154 7.555) 11.994 6.188 ( -8.260 -1.510 -2.110) 8.658 6.188 ( 8.260 -1.510 2.110) 8.658 6.306 ( 6.595 1.475 -16.674) 17.992 6.306 ( -6.595 1.475 16.674) 17.992 6.741 ( 2.589 7.975 -1.940) 8.606 6.741 ( -2.589 7.975 1.940) 8.606 7.047 ( -6.300 10.418 -4.555) 12.999 7.047 ( 6.300 10.418 4.555) 12.999 7.590 ( 5.485 5.789 -6.439) 10.250 7.590 ( -5.485 5.789 6.439) 10.250 8.060 ( -0.940 4.536 -7.462) 8.782 8.060 ( 0.940 4.536 7.462) 8.782 8.523 ( -2.683 -6.272 -7.146) 9.879 8.523 ( 2.683 -6.272 7.146) 9.879 9.193 ( -2.012 -2.933 -8.366) 9.091 9.193 ( 2.012 -2.933 8.366) 9.091 9.798 ( -1.013 9.559 -7.550) 12.223 9.798 ( 1.013 9.559 7.550) 12.223 10.503 ( -0.554 -5.316 -3.520) 6.399 10.503 ( 0.554 -5.316 3.520) 6.399 11.091 ( 0.427 -1.614 -9.257) 9.407 11.091 ( -0.427 -1.614 9.257) 9.407 11.543 ( 1.117 4.367 -6.432) 7.854 11.543 ( -1.117 4.367 6.432) 7.854 12.469 ( -1.561 -7.717 -3.720) 8.708 12.469 ( 1.561 -7.717 3.720) 8.708 12.863 ( -0.841 -3.241 -8.030) 8.700 12.863 ( 0.841 -3.241 8.030) 8.700 13.056 ( -0.858 -8.143 -14.479) 16.634 13.056 ( 0.858 -8.143 14.479) 16.634 17.559 ( -0.571 24.463 -2.499) 24.597 17.559 ( 0.571 24.463 2.499) 24.597 18.294 ( 1.905 3.884 -31.595) 31.890 18.294 ( -1.905 3.884 31.595) 31.890 19.386 ( -0.765 -14.606 -5.195) 15.521 19.386 ( 0.765 -14.606 5.195) 15.521 20.082 ( 1.030 -12.055 -2.554) 12.366 20.082 ( -1.030 -12.055 2.554) 12.366 22.737 ( -0.297 4.840 -8.303) 9.615 22.737 ( 0.297 4.840 8.303) 9.615 23.241 ( 0.003 6.274 -4.028) 7.456 23.241 ( -0.003 6.274 4.028) 7.456 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -3.622 24.041 -22.401) 33.059 2.738 ( 12.633 22.130 -13.657) 28.911 2.852 ( 1.336 14.914 17.247) 22.840 3.198 ( 11.677 16.961 15.539) 25.797 3.759 ( 3.225 3.469 -18.026) 18.638 3.902 ( -2.582 1.164 1.022) 3.012 4.181 ( 2.270 -7.290 -9.932) 12.528 4.307 ( -0.488 -9.301 -9.208) 13.097 4.478 ( -1.915 -7.238 -0.275) 7.492 4.688 ( 2.824 -10.485 9.059) 14.142 4.739 ( -4.001 -0.472 1.998) 4.497 4.887 ( 3.905 -5.780 4.907) 8.528 5.039 ( -5.830 0.494 -0.731) 5.896 5.325 ( -5.328 5.229 3.858) 8.403 5.395 ( -4.739 0.197 -6.879) 8.356 5.586 ( -5.640 -3.362 -1.469) 6.728 5.902 ( -1.506 -3.564 -3.122) 4.972 6.043 ( -7.969 -5.028 3.310) 9.987 6.146 ( 2.390 5.447 -9.740) 11.413 6.203 ( -3.483 6.924 -5.814) 9.689 6.344 ( -1.084 3.889 9.025) 9.887 6.498 ( 13.002 2.817 1.291) 13.366 6.585 ( -4.713 2.707 -0.131) 5.437 6.850 ( 4.025 0.584 -2.718) 4.892 7.022 ( 6.585 11.820 5.038) 14.438 7.189 ( 0.037 8.815 4.133) 9.736 7.587 ( -0.049 1.505 1.325) 2.005 7.656 ( 3.543 7.819 0.248) 8.588 7.983 ( -0.088 3.903 -1.526) 4.192 8.179 ( 2.388 3.412 7.287) 8.393 8.376 ( -4.973 -4.948 -4.715) 8.452 8.604 ( -2.273 -4.779 5.339) 7.517 9.037 ( -1.519 -2.071 -11.941) 12.214 9.295 ( 2.328 -2.937 3.253) 4.962 9.748 ( 1.953 5.141 -2.742) 6.145 9.948 ( 1.989 13.438 11.761) 17.968 10.388 ( -6.357 -5.680 -4.922) 9.844 10.558 ( 2.282 -5.040 1.429) 5.714 11.001 ( 0.952 -2.873 -5.423) 6.210 11.144 ( -6.716 0.273 8.391) 10.751 11.483 ( -0.510 4.957 -4.367) 6.626 11.622 ( 0.659 5.004 6.574) 8.288 12.382 ( -4.500 -7.235 -1.649) 8.679 12.511 ( -2.217 -6.358 4.636) 8.175 12.793 ( 5.135 -4.741 -9.603) 11.877 12.923 ( 8.029 -8.457 -11.134) 16.123 13.045 ( 6.377 -2.544 6.575) 9.506 13.273 ( 4.029 -6.407 13.250) 15.259 17.549 ( 2.949 21.103 -4.955) 21.876 17.654 ( 7.257 24.176 2.927) 25.411 18.010 ( 6.867 7.645 -26.226) 28.167 18.636 ( -1.908 1.077 29.143) 29.226 19.271 ( -6.893 -15.329 -1.454) 16.870 19.422 ( -5.260 -10.726 8.498) 14.661 20.069 ( 0.527 -9.508 -1.263) 9.606 20.123 ( 1.649 -8.876 1.207) 9.109 22.611 ( -1.447 5.276 -9.542) 10.999 22.797 ( -2.483 1.133 4.094) 4.920 23.174 ( -0.896 5.127 -5.918) 7.881 23.262 ( -1.605 4.534 1.345) 4.994 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.051 20.463 -22.885) 31.499 2.750 ( 12.262 18.194 -20.033) 29.711 3.138 ( 9.380 9.726 14.614) 19.904 3.531 ( 7.957 11.148 11.651) 17.982 3.740 ( 10.575 5.647 -5.459) 13.173 3.882 ( -0.490 2.197 -1.621) 2.773 4.043 ( -3.980 -6.885 -12.190) 14.554 4.189 ( -1.847 0.738 -1.882) 2.738 4.391 ( -0.071 -3.207 -7.178) 7.862 4.718 ( -5.145 -3.437 -0.809) 6.240 4.771 ( 3.178 -4.789 2.066) 6.108 4.916 ( -6.118 3.307 3.328) 7.710 4.998 ( 3.697 -6.387 0.216) 7.384 5.262 ( -4.966 -8.390 2.859) 10.160 5.354 ( -2.590 -7.602 -4.783) 9.347 5.465 ( -1.942 5.174 5.547) 7.830 5.824 ( -0.250 -4.199 -6.150) 7.451 5.938 ( -12.472 1.764 5.602) 13.786 5.993 ( -7.707 2.988 -5.038) 9.680 6.108 ( 1.332 3.268 -11.421) 11.953 6.370 ( 5.034 5.298 -0.832) 7.356 6.590 ( 0.232 3.558 5.919) 6.910 6.734 ( 2.989 1.880 5.121) 6.220 6.915 ( 5.096 -1.771 0.057) 5.395 7.075 ( -5.603 9.321 -1.085) 10.929 7.294 ( 9.957 4.047 4.398) 11.613 7.528 ( -3.626 -4.475 -4.829) 7.516 7.699 ( -0.245 9.204 1.365) 9.308 7.978 ( -3.385 0.432 -0.769) 3.498 8.227 ( 0.343 -2.622 -2.444) 3.601 8.407 ( 6.741 6.148 10.029) 13.558 8.576 ( -5.893 -0.827 2.626) 6.504 8.888 ( -0.665 -0.322 -9.899) 9.927 9.357 ( 2.207 -3.779 0.808) 4.450 9.782 ( 4.491 3.068 -1.347) 5.603 10.067 ( -4.327 13.307 7.242) 15.755 10.242 ( -1.197 -5.403 -3.215) 6.400 10.624 ( 2.889 -3.815 1.978) 5.178 10.993 ( 1.743 -1.656 -0.992) 2.601 11.083 ( -9.461 0.273 6.208) 11.319 11.436 ( 0.366 6.326 -2.669) 6.876 11.679 ( -1.683 6.394 3.265) 7.375 12.295 ( -4.884 -5.316 0.357) 7.228 12.522 ( -2.389 -4.926 4.038) 6.803 12.817 ( 7.981 -3.839 -5.954) 10.671 13.002 ( 13.666 -9.424 -6.563) 17.851 13.268 ( 8.943 -1.005 8.006) 12.045 13.476 ( 3.006 -4.435 10.923) 12.166 17.473 ( 2.170 8.361 -14.914) 17.235 17.870 ( 14.040 23.710 3.137) 27.733 17.985 ( 16.009 19.322 -10.598) 27.239 18.769 ( -12.638 -13.112 8.211) 19.976 19.256 ( -1.424 -3.231 16.525) 16.898 19.452 ( -5.973 -5.422 13.924) 16.092 20.038 ( -2.266 -3.301 -2.795) 4.883 20.147 ( -2.037 -0.947 2.506) 3.365 22.484 ( -0.396 2.429 -8.935) 9.267 22.745 ( -5.480 -4.068 -1.306) 6.949 23.076 ( -1.175 2.273 -7.585) 8.005 23.212 ( -3.019 -0.137 -2.957) 4.228 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 18.664 9.654 -17.453) 27.316 2.742 ( 16.910 13.996 -20.367) 29.944 3.457 ( 10.212 8.252 9.236) 16.052 3.614 ( -14.294 -3.738 -2.430) 14.973 3.720 ( 0.374 -7.518 -3.568) 8.330 3.860 ( 3.782 3.335 6.444) 8.183 4.077 ( 9.219 9.894 -2.171) 13.696 4.257 ( 7.161 3.346 6.513) 10.242 4.362 ( 5.828 5.293 -4.273) 8.957 4.621 ( -3.797 -0.601 1.289) 4.054 4.817 ( -5.805 -2.133 -2.507) 6.673 4.864 ( -6.261 -1.883 -0.997) 6.614 4.944 ( 7.532 -2.775 -10.477) 13.199 5.209 ( -5.830 -2.013 8.807) 10.752 5.319 ( -3.530 -8.677 8.401) 12.583 5.577 ( 5.863 3.095 -2.771) 7.186 5.755 ( -8.857 1.607 6.261) 10.965 5.819 ( 1.093 -0.731 -5.025) 5.195 5.873 ( -0.037 -0.923 -1.319) 1.610 5.982 ( -2.826 -3.237 -6.583) 7.862 6.464 ( 7.370 1.408 -3.204) 8.158 6.609 ( -4.420 4.288 4.436) 7.590 6.800 ( -5.305 -4.642 -3.618) 7.924 6.842 ( -2.663 -5.803 4.244) 7.666 6.977 ( -5.707 6.532 -3.715) 9.436 7.371 ( -2.092 -3.992 -9.559) 10.568 7.530 ( -1.588 -6.196 -1.724) 6.624 7.650 ( 3.355 11.906 3.685) 12.906 7.917 ( -2.118 5.545 -0.254) 5.941 8.220 ( 0.270 2.637 0.838) 2.781 8.522 ( -2.260 5.986 2.291) 6.796 8.671 ( 9.170 4.393 8.039) 12.962 8.775 ( -1.088 -0.715 -6.762) 6.886 9.374 ( -0.803 -6.761 -0.768) 6.851 9.854 ( 5.914 2.124 -1.569) 6.477 10.031 ( -1.589 2.067 1.599) 3.058 10.256 ( 0.370 6.322 1.481) 6.504 10.662 ( -2.739 -1.688 1.852) 3.712 11.015 ( -3.277 1.177 7.240) 8.034 11.054 ( 3.621 -0.424 0.469) 3.676 11.432 ( 1.993 7.305 -2.189) 7.882 11.644 ( -3.720 7.174 -0.540) 8.099 12.229 ( -4.265 -2.699 1.609) 5.297 12.514 ( -2.585 -3.712 1.004) 4.633 12.895 ( 6.897 -2.444 -2.094) 7.611 13.180 ( 10.387 -8.763 -0.563) 13.601 13.509 ( 8.416 0.229 7.509) 11.282 13.633 ( 2.344 -2.470 8.437) 9.098 17.344 ( 5.119 1.381 -14.931) 15.845 18.167 ( 17.278 22.533 -0.054) 28.395 18.242 ( 21.319 23.363 -1.066) 31.646 18.522 ( -17.230 -17.049 -0.356) 24.242 19.497 ( 0.142 2.079 20.621) 20.726 19.553 ( -4.429 -0.431 17.643) 18.195 19.913 ( -8.466 3.854 -3.197) 9.836 20.095 ( -7.509 8.355 1.792) 11.376 22.392 ( 0.884 -1.778 -7.481) 7.740 22.597 ( -6.018 -10.385 -6.303) 13.557 22.969 ( -0.331 -1.680 -7.810) 7.996 23.112 ( -2.625 -4.165 -5.196) 7.158 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 24.199 -1.862 -8.197) 25.617 2.851 ( 19.901 9.977 -14.249) 26.431 3.344 ( -12.618 -1.650 0.253) 12.728 3.560 ( -12.127 -7.585 -6.711) 15.800 3.730 ( 9.834 5.696 7.613) 13.679 4.044 ( 5.879 2.100 8.146) 10.263 4.174 ( 5.144 2.419 -1.543) 5.890 4.379 ( 5.539 -5.072 -4.505) 8.758 4.478 ( -1.464 12.522 6.316) 14.101 4.552 ( -5.428 -1.731 -4.573) 7.306 4.701 ( 0.396 -0.226 0.408) 0.612 4.730 ( -2.773 -1.114 1.445) 3.319 4.968 ( -4.308 4.253 -4.846) 7.755 5.251 ( 9.208 -2.683 3.991) 10.388 5.445 ( -1.256 4.522 8.058) 9.325 5.575 ( 1.777 -2.593 2.747) 4.175 5.685 ( -8.231 -7.793 -3.726) 11.931 5.797 ( -0.564 -8.923 5.067) 10.277 5.848 ( 4.376 -3.945 -0.127) 5.893 6.055 ( 9.266 4.134 2.290) 10.402 6.492 ( -5.707 -8.272 -7.091) 12.299 6.521 ( -0.575 3.800 -2.280) 4.468 6.679 ( -2.544 -6.236 0.669) 6.769 6.757 ( -6.088 2.697 -6.805) 9.521 6.947 ( -1.154 6.221 7.384) 9.724 7.202 ( -0.865 -2.405 -12.667) 12.923 7.294 ( -9.002 -5.895 -8.230) 13.548 7.684 ( -15.049 -0.457 -2.310) 15.232 7.971 ( 9.070 13.773 9.182) 18.875 8.313 ( 8.616 7.176 -0.344) 11.218 8.537 ( -1.694 8.070 3.489) 8.954 8.680 ( -1.420 -0.566 -4.291) 4.555 8.889 ( 7.764 0.399 3.599) 8.567 9.304 ( -5.374 -9.897 -1.757) 11.398 9.950 ( 6.609 0.396 0.342) 6.629 10.069 ( 2.972 0.441 1.095) 3.197 10.267 ( 0.224 9.961 0.283) 9.968 10.568 ( -9.588 0.935 1.530) 9.755 11.108 ( 3.035 1.858 7.221) 8.050 11.165 ( 6.875 2.771 2.224) 7.739 11.427 ( 1.038 6.986 -3.947) 8.091 11.561 ( -4.420 7.617 -1.503) 8.934 12.199 ( -1.738 -0.430 2.373) 2.973 12.450 ( -4.088 -1.918 -2.329) 5.081 13.003 ( 6.772 -2.771 0.966) 7.380 13.282 ( 1.479 -6.884 0.273) 7.047 13.707 ( 5.724 1.246 5.435) 7.991 13.757 ( 2.642 -0.528 5.299) 5.945 17.325 ( 10.156 -3.314 -9.481) 14.283 18.101 ( -18.247 -13.366 -4.133) 22.993 18.560 ( 20.164 20.783 1.028) 28.976 18.648 ( 22.480 23.728 3.298) 32.852 19.644 ( -9.493 6.095 11.779) 16.309 19.661 ( -10.372 11.706 5.213) 16.486 19.750 ( -2.498 1.844 9.862) 10.339 19.944 ( -9.669 11.099 -0.733) 14.738 22.334 ( 1.255 -6.393 -5.613) 8.600 22.431 ( -3.716 -14.931 -6.768) 16.809 22.897 ( 1.426 -5.272 -5.501) 7.751 23.014 ( -2.373 -6.293 -4.211) 7.935 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 24.362 -8.537 0.297) 25.816 3.041 ( 16.687 5.235 -7.788) 19.145 3.131 ( -17.192 -7.387 -2.002) 18.819 3.241 ( -15.455 -0.367 0.862) 15.483 3.980 ( 9.565 7.620 5.865) 13.563 4.147 ( -4.185 9.892 -0.812) 10.772 4.224 ( 5.376 -2.362 1.985) 6.198 4.367 ( -1.729 -3.938 -8.676) 9.683 4.442 ( 2.736 -2.176 1.035) 3.645 4.509 ( -5.734 5.462 5.593) 9.695 4.594 ( -0.585 1.205 0.421) 1.404 4.735 ( -7.251 4.237 -5.563) 10.074 5.014 ( 12.413 -7.898 6.989) 16.288 5.320 ( -9.247 -0.046 -7.781) 12.085 5.413 ( -1.937 -9.786 4.184) 10.818 5.477 ( -1.522 -1.420 -3.485) 4.059 5.845 ( 6.457 -4.318 15.947) 17.738 5.957 ( 8.291 -7.328 -3.454) 11.592 5.987 ( 5.687 -4.260 13.810) 15.531 6.179 ( 4.349 4.504 -1.595) 6.461 6.266 ( -3.375 -5.488 -12.068) 13.681 6.413 ( -9.311 0.040 -6.203) 11.187 6.613 ( 2.976 1.363 -6.453) 7.236 6.656 ( -7.755 0.139 5.300) 9.394 7.022 ( -2.482 4.633 9.614) 10.957 7.089 ( 3.375 -0.675 -11.399) 11.907 7.153 ( 3.685 0.185 -2.196) 4.294 7.358 ( -16.196 2.075 -3.506) 16.701 8.229 ( 7.630 5.117 9.088) 12.923 8.396 ( 2.773 4.005 -8.036) 9.397 8.535 ( -2.401 8.852 6.546) 11.268 8.609 ( -1.674 6.621 -4.143) 7.988 9.041 ( 7.486 -5.019 1.437) 9.126 9.179 ( -7.139 -9.361 -1.086) 11.822 10.065 ( 4.573 -0.371 1.781) 4.922 10.114 ( 1.175 -0.424 -1.159) 1.704 10.296 ( 4.319 9.317 -0.225) 10.271 10.414 ( -9.779 4.368 1.027) 10.759 11.245 ( 3.585 3.795 5.738) 7.758 11.309 ( 4.790 5.498 2.252) 7.631 11.374 ( 0.286 5.624 -4.268) 7.066 11.461 ( -5.228 7.068 -2.183) 9.059 12.236 ( 2.261 0.552 3.140) 3.909 12.337 ( -4.638 -0.168 -3.496) 5.811 13.135 ( 6.535 -3.858 1.884) 7.819 13.248 ( -4.325 -5.217 -1.023) 6.853 13.819 ( 2.126 1.671 2.231) 3.506 13.831 ( 1.049 1.001 1.500) 2.086 17.465 ( 15.350 -8.039 -3.310) 17.641 17.746 ( -18.876 -12.234 -1.469) 22.542 18.923 ( 18.806 21.506 2.805) 28.706 19.039 ( 17.595 25.863 -0.444) 31.284 19.390 ( -12.923 14.949 -0.076) 19.761 19.519 ( -18.451 21.802 2.208) 28.647 19.848 ( 0.201 0.663 4.683) 4.734 19.867 ( -1.293 0.953 1.984) 2.553 22.306 ( 1.243 -11.227 -2.373) 11.543 22.330 ( -1.795 -14.693 -2.555) 15.021 22.890 ( 2.620 -7.128 -1.751) 7.794 22.936 ( -2.690 -7.283 -1.714) 7.951 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 6.021 13.984 -8.663) 17.517 3.053 ( -6.021 13.984 8.663) 17.517 3.225 ( -6.108 18.008 -13.552) 23.351 3.225 ( 6.108 18.008 13.552) 23.351 3.833 ( 2.802 -5.806 -7.185) 9.653 3.833 ( -2.802 -5.806 7.185) 9.653 4.084 ( -5.717 -8.954 -11.216) 15.448 4.084 ( 5.717 -8.954 11.216) 15.448 4.368 ( -2.327 -7.434 -2.485) 8.177 4.368 ( 2.327 -7.434 2.485) 8.177 4.725 ( 2.513 -2.901 -3.878) 5.457 4.725 ( -2.513 -2.901 3.878) 5.457 5.432 ( -11.122 11.024 -2.555) 15.867 5.432 ( 11.122 11.024 2.555) 15.867 5.676 ( 5.692 8.117 -10.218) 14.237 5.676 ( -5.692 8.117 10.218) 14.237 5.972 ( -8.691 -1.844 -6.715) 11.137 5.972 ( 8.691 -1.844 6.715) 11.137 6.221 ( 1.211 3.025 -1.402) 3.548 6.221 ( -1.211 3.025 1.402) 3.548 6.339 ( 1.742 1.894 -9.402) 9.748 6.339 ( -1.742 1.894 9.402) 9.748 6.865 ( 6.399 3.652 -5.338) 9.098 6.865 ( -6.399 3.652 5.338) 9.098 7.271 ( -10.342 9.735 -2.530) 14.427 7.271 ( 10.342 9.735 2.530) 14.427 7.575 ( 3.227 -6.283 -6.660) 9.708 7.575 ( -3.227 -6.283 6.660) 9.708 8.081 ( 4.077 -3.324 -5.882) 7.891 8.081 ( -4.077 -3.324 5.882) 7.891 8.446 ( -0.930 0.357 -4.805) 4.907 8.446 ( 0.930 0.357 4.805) 4.907 9.120 ( -1.565 -3.954 -6.462) 7.736 9.120 ( 1.565 -3.954 6.462) 7.736 10.003 ( -1.026 8.743 -10.209) 13.480 10.003 ( 1.026 8.743 10.209) 13.480 10.457 ( 2.516 1.724 -2.435) 3.903 10.457 ( -2.516 1.724 2.435) 3.903 11.011 ( 0.540 -5.788 -10.869) 12.326 11.011 ( -0.540 -5.788 10.869) 12.326 11.645 ( 1.323 5.248 -6.986) 8.837 11.645 ( -1.323 5.248 6.986) 8.837 12.300 ( -0.650 -8.373 -5.411) 9.990 12.300 ( 0.650 -8.373 5.411) 9.990 12.796 ( -0.508 -3.054 -9.230) 9.736 12.796 ( 0.508 -3.054 9.230) 9.736 12.916 ( -1.036 -5.495 -12.347) 13.554 12.916 ( 1.036 -5.495 12.347) 13.554 18.109 ( -1.201 28.884 -2.846) 29.049 18.109 ( 1.201 28.884 2.846) 29.049 18.391 ( 2.218 5.589 -26.751) 27.418 18.391 ( -2.218 5.589 26.751) 27.418 19.113 ( -0.382 -12.095 -10.145) 15.791 19.113 ( 0.382 -12.095 10.145) 15.791 19.776 ( 0.815 -18.256 -2.679) 18.470 19.776 ( -0.815 -18.256 2.679) 18.470 22.804 ( -0.200 2.081 -4.594) 5.048 22.804 ( 0.200 2.081 4.594) 5.048 23.357 ( 0.044 4.661 -3.117) 5.608 23.357 ( -0.044 4.661 3.117) 5.608 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -5.088 21.043 -14.633) 26.131 3.125 ( 7.101 14.159 -4.494) 16.465 3.162 ( 2.698 16.265 5.352) 17.334 3.505 ( 6.322 12.708 13.827) 19.816 3.703 ( 0.267 -8.304 -12.254) 14.805 3.819 ( -3.744 -7.601 1.998) 8.705 3.972 ( 0.317 -7.235 -1.173) 7.336 4.250 ( 0.236 -3.351 -2.165) 3.996 4.382 ( 6.440 -5.502 3.242) 9.069 4.459 ( 5.109 -7.988 0.521) 9.496 4.750 ( -2.509 0.484 5.341) 5.921 4.771 ( 3.853 -4.102 1.625) 5.858 5.152 ( -8.865 9.307 -4.008) 13.464 5.359 ( -15.231 -0.505 -10.284) 18.384 5.522 ( -0.320 6.124 -14.288) 15.548 5.617 ( -9.275 7.726 6.531) 13.725 5.822 ( 1.527 -2.550 -7.357) 7.935 5.959 ( -8.839 -1.790 4.104) 9.908 6.254 ( 4.020 4.629 -11.706) 13.215 6.289 ( 0.602 2.234 -1.778) 2.918 6.442 ( 3.846 3.887 8.425) 10.044 6.586 ( 17.345 8.167 11.908) 22.569 6.727 ( -11.929 9.085 -3.309) 15.355 6.863 ( -0.847 -0.237 -0.587) 1.057 7.188 ( 0.199 4.937 5.015) 7.040 7.371 ( -4.266 6.876 -1.929) 8.319 7.514 ( 0.695 -6.323 -5.221) 8.229 7.634 ( 0.137 -10.303 8.142) 13.133 8.063 ( 0.019 2.479 -1.302) 2.800 8.111 ( 5.602 -5.094 -2.933) 8.120 8.418 ( -0.631 4.971 3.393) 6.051 8.528 ( 0.817 -1.068 4.712) 4.900 9.011 ( -0.578 -0.822 -8.234) 8.295 9.204 ( 1.594 -5.727 3.176) 6.739 9.898 ( 1.333 8.448 -7.456) 11.347 10.147 ( 3.736 2.766 4.872) 6.734 10.367 ( -9.693 6.000 3.344) 11.880 10.503 ( 3.315 0.058 -0.475) 3.349 10.924 ( 1.587 -4.116 -3.592) 5.689 11.099 ( -5.077 -4.290 8.834) 11.055 11.597 ( 0.900 5.875 -4.557) 7.489 11.727 ( 0.731 4.696 7.202) 8.628 12.231 ( -2.079 -6.932 -2.068) 7.526 12.367 ( -1.386 -7.652 6.439) 10.096 12.694 ( 6.922 -4.000 -13.426) 15.626 12.787 ( 7.658 -5.393 -11.563) 14.881 13.006 ( 6.056 -1.280 9.901) 11.677 13.145 ( 4.857 -5.924 14.113) 16.058 17.944 ( -5.655 15.419 -16.227) 23.087 18.192 ( 4.860 27.890 4.744) 28.705 18.282 ( 13.054 20.794 -11.673) 27.186 18.615 ( -4.919 -4.702 11.485) 13.350 19.036 ( -0.733 -5.950 6.627) 8.936 19.224 ( -4.333 -8.877 14.946) 17.916 19.800 ( 5.298 -16.913 -1.848) 17.820 19.865 ( 7.010 -16.414 1.583) 17.918 22.698 ( -3.870 3.359 -6.881) 8.580 22.803 ( -4.274 -0.372 0.607) 4.333 23.278 ( -3.284 4.652 -5.350) 7.814 23.339 ( -4.257 2.816 -0.312) 5.114 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -1.307 24.106 -17.687) 29.927 3.101 ( 7.435 16.188 -19.136) 26.145 3.337 ( 6.594 8.627 9.828) 14.645 3.626 ( -1.496 -10.592 -0.784) 10.726 3.700 ( -2.184 2.193 3.670) 4.801 3.798 ( 2.328 -2.083 0.679) 3.197 4.078 ( 4.696 -1.987 13.682) 14.601 4.169 ( -3.093 -0.636 -3.148) 4.459 4.392 ( 2.291 0.628 -8.486) 8.812 4.585 ( 2.602 -6.315 1.858) 7.079 4.755 ( 1.274 2.115 3.362) 4.171 4.876 ( 3.226 -2.116 2.234) 4.458 5.007 ( -8.720 0.728 2.359) 9.063 5.168 ( 1.962 0.920 -4.906) 5.363 5.274 ( -9.347 0.466 -6.438) 11.360 5.624 ( 4.528 6.048 2.538) 7.970 5.731 ( -0.995 -4.201 -9.276) 10.231 5.861 ( -9.768 -2.157 5.618) 11.473 6.162 ( -3.444 7.520 -6.796) 10.705 6.206 ( -5.065 3.531 -7.436) 9.665 6.390 ( -5.551 1.282 -5.932) 8.225 6.651 ( 3.502 2.275 5.080) 6.576 6.814 ( -7.491 0.859 5.756) 9.486 6.866 ( -1.549 -1.046 -3.589) 4.046 7.203 ( -2.599 4.019 -5.820) 7.535 7.341 ( 7.521 0.985 6.506) 9.993 7.419 ( -3.517 -5.120 -4.403) 7.614 7.733 ( -0.453 -4.036 4.730) 6.234 8.056 ( 1.346 6.349 -2.106) 6.823 8.202 ( 6.956 -0.987 -0.950) 7.090 8.502 ( 4.159 3.170 6.361) 8.234 8.586 ( 0.645 2.311 4.193) 4.831 8.917 ( -1.092 2.280 -5.818) 6.343 9.242 ( -0.295 -7.168 1.001) 7.243 9.875 ( 4.039 5.579 -4.325) 8.133 10.116 ( -3.815 -3.441 -7.173) 8.823 10.350 ( -1.399 10.418 8.999) 13.838 10.571 ( 3.870 -1.401 1.354) 4.333 10.961 ( 3.249 -1.106 1.290) 3.667 11.061 ( -8.386 -2.078 6.175) 10.620 11.577 ( 1.249 7.300 -1.534) 7.564 11.796 ( -1.088 4.554 3.612) 5.913 12.189 ( -1.984 -4.353 0.818) 4.853 12.405 ( -1.611 -6.519 4.598) 8.139 12.744 ( 11.483 -2.731 -6.564) 13.506 12.850 ( 13.576 -5.849 -7.922) 16.772 13.252 ( 9.138 -0.491 9.492) 13.184 13.378 ( 4.711 -4.861 11.610) 13.439 17.652 ( -3.425 9.718 -18.443) 21.126 18.391 ( 10.763 25.218 4.337) 27.760 18.447 ( 11.933 17.034 -5.250) 21.450 18.467 ( -7.406 -6.088 -1.796) 9.754 19.264 ( 3.225 3.020 21.002) 21.462 19.349 ( -4.058 -4.838 19.065) 20.084 19.871 ( 5.696 -12.964 -3.166) 14.510 20.020 ( 7.496 -11.363 2.830) 13.904 22.533 ( -5.251 2.297 -7.539) 9.470 22.673 ( -8.769 -3.057 -4.223) 10.202 23.129 ( -5.440 2.751 -7.140) 9.388 23.213 ( -6.748 0.028 -4.399) 8.056 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 4.735 19.908 -16.022) 25.990 3.027 ( 11.627 13.561 -18.540) 25.746 3.433 ( -5.172 -9.387 -3.993) 11.437 3.597 ( -3.615 -3.674 -1.820) 5.466 3.677 ( 3.709 6.232 7.258) 10.260 3.859 ( 1.121 -2.260 3.318) 4.168 4.117 ( 1.034 1.968 1.342) 2.597 4.309 ( 0.505 -0.424 -0.047) 0.661 4.428 ( 6.304 -4.817 11.140) 13.676 4.579 ( -1.483 -3.860 1.884) 4.544 4.810 ( -8.418 2.945 -2.296) 9.209 4.849 ( -2.712 3.516 -0.700) 4.495 5.000 ( 8.976 5.342 -4.778) 11.487 5.149 ( 0.461 -6.328 11.593) 13.216 5.224 ( -0.859 2.720 6.289) 6.905 5.589 ( -0.247 -3.230 -9.677) 10.205 5.727 ( -7.928 -3.815 3.989) 9.660 5.833 ( 0.559 -4.071 2.650) 4.889 5.941 ( -9.621 7.546 -7.434) 14.310 6.004 ( -2.171 7.567 -4.668) 9.152 6.355 ( 4.722 -6.354 -3.140) 8.516 6.562 ( -14.026 -10.636 -5.176) 18.348 6.747 ( 2.389 2.538 1.322) 3.728 6.854 ( -0.202 5.114 0.532) 5.145 7.117 ( -0.365 4.319 -4.236) 6.061 7.261 ( -4.746 -5.954 -6.755) 10.179 7.414 ( -4.029 -2.200 -7.252) 8.583 7.772 ( -2.377 -2.204 2.096) 3.861 8.093 ( 5.306 12.171 2.488) 13.508 8.304 ( 6.902 4.708 0.359) 8.363 8.624 ( 1.074 3.646 3.636) 5.260 8.720 ( 7.589 0.794 6.796) 10.218 8.816 ( -3.991 3.576 -4.113) 6.755 9.208 ( -3.579 -8.896 -1.178) 9.661 9.910 ( 4.481 3.121 -2.938) 6.201 10.025 ( 0.908 -0.743 -1.877) 2.213 10.415 ( 0.215 7.155 2.858) 7.708 10.626 ( -0.986 -1.788 1.664) 2.634 11.035 ( -1.769 0.828 6.718) 6.996 11.058 ( 5.410 0.616 3.364) 6.400 11.591 ( 1.576 8.072 -1.201) 8.312 11.776 ( -3.387 5.328 0.126) 6.314 12.181 ( -1.249 -1.534 2.368) 3.085 12.420 ( -1.138 -5.607 1.577) 5.934 12.855 ( 8.028 -1.205 -2.874) 8.612 13.026 ( 11.998 -6.484 -2.094) 13.798 13.515 ( 8.933 0.232 8.581) 12.389 13.578 ( 5.111 -2.605 8.703) 10.423 17.421 ( -0.268 6.125 -14.914) 16.125 18.143 ( -15.095 -16.318 -7.000) 23.306 18.696 ( 16.799 25.198 2.788) 30.413 18.753 ( 18.932 25.807 4.631) 32.340 19.517 ( -3.121 -1.680 21.237) 21.531 19.563 ( 3.098 3.368 17.193) 17.791 19.893 ( 1.134 -6.041 -3.304) 6.979 20.155 ( 3.474 -3.414 3.291) 5.879 22.350 ( -6.170 -2.325 -8.120) 10.460 22.425 ( -9.750 -5.755 -9.174) 14.572 22.946 ( -5.328 -0.358 -7.379) 9.108 23.044 ( -5.821 -2.820 -5.390) 8.420 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 11.554 9.378 -9.650) 17.736 3.057 ( 13.519 9.669 -13.057) 21.136 3.247 ( -11.285 -8.627 -3.176) 14.555 3.420 ( -8.640 -5.246 -5.483) 11.499 3.873 ( 6.417 6.680 7.976) 12.224 3.985 ( 8.198 -3.922 4.988) 10.367 4.207 ( 6.885 1.334 1.298) 7.132 4.293 ( 4.868 -3.500 -7.262) 9.417 4.516 ( -5.648 -1.202 -4.863) 7.549 4.630 ( -8.047 -3.168 15.417) 17.677 4.668 ( -1.227 1.598 6.410) 6.719 4.723 ( -6.450 2.250 -3.706) 7.772 5.020 ( -10.536 -2.101 -1.533) 10.853 5.255 ( 1.558 0.580 -0.286) 1.687 5.432 ( -3.795 -9.184 6.849) 12.069 5.510 ( 2.465 -2.895 6.251) 7.317 5.585 ( -2.127 -1.503 1.687) 3.103 5.735 ( 0.226 3.852 3.327) 5.095 5.786 ( -1.072 1.152 -2.611) 3.049 6.183 ( 14.202 6.119 -1.404) 15.528 6.301 ( -8.440 -8.163 -5.199) 12.841 6.413 ( 2.169 -5.933 -1.085) 6.410 6.747 ( -0.616 3.847 -4.403) 5.879 6.816 ( -2.723 5.880 -2.924) 7.109 7.107 ( -0.225 -5.029 -6.087) 7.899 7.119 ( 0.012 5.624 -0.105) 5.625 7.201 ( -5.346 -1.988 -10.032) 11.540 7.627 ( -10.928 -4.796 -4.086) 12.614 8.239 ( 3.948 11.774 5.422) 13.550 8.446 ( 8.247 5.013 -1.471) 9.763 8.657 ( -3.313 3.744 3.528) 6.118 8.716 ( -0.096 4.599 -1.558) 4.857 8.903 ( 5.315 -0.200 3.590) 6.417 9.112 ( -4.737 -8.457 -2.072) 9.912 9.967 ( 4.808 1.364 -0.046) 4.998 10.065 ( 3.677 -0.621 -0.642) 3.784 10.431 ( -0.202 5.986 0.554) 6.015 10.574 ( -6.040 -0.189 1.267) 6.174 11.157 ( 5.359 2.818 6.734) 9.056 11.221 ( 7.653 2.200 5.097) 9.455 11.577 ( -0.556 7.579 -3.305) 8.287 11.701 ( -4.570 5.745 -1.169) 7.434 12.204 ( 0.440 1.068 2.707) 2.943 12.398 ( -1.894 -3.251 -1.067) 3.911 12.954 ( 6.158 -1.648 -0.125) 6.376 13.143 ( 3.596 -6.628 -0.857) 7.589 13.732 ( 5.966 0.989 6.412) 8.814 13.750 ( 5.269 -0.063 5.176) 7.386 17.307 ( 4.114 1.580 -9.432) 10.411 17.810 ( -15.347 -13.907 -5.397) 21.402 19.015 ( 18.084 22.204 1.550) 28.679 19.167 ( 20.900 25.948 7.763) 34.211 19.680 ( -3.995 -0.739 13.113) 13.728 19.774 ( 2.543 3.333 9.980) 10.825 19.841 ( -4.448 3.326 1.961) 5.890 20.178 ( -5.265 7.974 1.558) 9.681 22.116 ( -5.642 -12.204 -10.695) 17.180 22.209 ( -5.651 -7.878 -6.980) 11.947 22.806 ( -2.301 -3.294 -4.854) 6.301 22.903 ( -4.527 -4.881 -3.844) 7.687 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 16.679 -2.160 -1.042) 16.851 2.941 ( -17.844 -9.518 -4.422) 20.701 3.156 ( 11.866 5.103 -7.609) 14.991 3.267 ( -8.141 1.279 1.915) 8.461 4.096 ( 7.928 2.221 8.383) 11.750 4.177 ( 8.463 -0.264 -0.332) 8.473 4.310 ( 4.181 0.206 -7.529) 8.615 4.337 ( 0.326 5.684 -2.262) 6.126 4.379 ( 1.746 -2.685 4.513) 5.535 4.539 ( -6.690 0.578 0.665) 6.747 4.606 ( -9.916 -1.004 7.097) 12.235 4.760 ( -9.632 -5.405 -8.204) 13.759 4.822 ( 5.255 -5.477 3.855) 8.513 5.024 ( -13.458 -16.744 -0.362) 21.485 5.451 ( 4.267 2.822 -2.511) 5.699 5.519 ( -3.531 1.351 0.090) 3.781 5.767 ( 1.975 -6.570 7.794) 10.383 5.815 ( 3.587 -4.935 0.821) 6.156 5.998 ( 8.879 5.622 17.006) 19.991 6.177 ( 4.585 -0.866 -3.883) 6.071 6.273 ( -0.427 5.437 -7.665) 9.407 6.359 ( -6.798 -2.507 -3.804) 8.184 6.677 ( 3.074 4.261 -5.490) 7.599 6.726 ( -4.503 4.623 -0.552) 6.477 7.026 ( 5.107 -5.234 -9.147) 11.711 7.065 ( -6.706 -3.640 2.757) 8.113 7.208 ( 5.446 6.033 3.515) 8.855 7.386 ( -9.943 0.587 -4.893) 11.098 8.346 ( 2.475 6.624 4.735) 8.510 8.445 ( -1.898 2.051 -5.080) 5.798 8.689 ( 2.203 5.230 3.484) 6.659 8.735 ( 0.592 5.142 -0.651) 5.217 8.985 ( 2.105 -1.313 0.791) 2.604 9.027 ( -2.906 -5.465 -0.825) 6.244 10.052 ( 3.717 -0.501 1.171) 3.930 10.095 ( 0.625 -1.283 -1.217) 1.875 10.440 ( 1.414 5.048 -0.029) 5.243 10.488 ( -4.971 2.800 0.803) 5.761 11.330 ( 5.764 4.303 5.728) 9.195 11.405 ( 5.720 3.466 3.613) 7.601 11.500 ( -1.790 6.441 -3.643) 7.613 11.591 ( -5.926 5.259 -2.871) 8.427 12.260 ( 2.449 1.847 2.524) 3.973 12.336 ( -2.936 -0.024 -2.217) 3.679 13.056 ( 4.870 -3.542 1.407) 6.184 13.136 ( -2.209 -5.506 -1.416) 6.099 13.853 ( 2.002 1.474 2.565) 3.572 13.856 ( 2.259 1.389 1.501) 3.047 17.342 ( 9.077 -3.930 -3.378) 10.453 17.523 ( -13.208 -9.463 -1.875) 16.355 19.324 ( 15.607 17.118 2.441) 23.293 19.551 ( 1.929 19.102 -1.529) 19.260 19.648 ( 7.428 13.478 6.243) 16.608 19.871 ( -3.540 6.185 9.307) 11.723 19.874 ( 1.509 2.647 1.152) 3.257 19.998 ( -13.736 17.196 -4.007) 22.370 21.991 ( 1.693 -16.651 -4.224) 17.262 22.053 ( -5.194 -13.919 -3.322) 15.223 22.762 ( 1.196 -5.098 -1.304) 5.397 22.804 ( -3.320 -5.649 -1.590) 6.743 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 0.120 3.212 -3.547) 4.787 3.224 ( -0.120 3.212 3.547) 4.787 3.508 ( -2.313 9.320 -9.390) 13.430 3.508 ( 2.313 9.320 9.390) 13.430 3.736 ( 0.506 -3.862 -1.588) 4.206 3.736 ( -0.506 -3.862 1.588) 4.206 3.994 ( -8.022 0.567 -9.495) 12.443 3.994 ( 8.022 0.567 9.495) 12.443 4.204 ( -5.329 -7.494 -5.719) 10.829 4.204 ( 5.329 -7.494 5.719) 10.829 4.693 ( 1.002 -0.496 -2.351) 2.604 4.693 ( -1.002 -0.496 2.351) 2.604 5.516 ( 4.008 0.180 -2.369) 4.659 5.516 ( -4.008 0.180 2.369) 4.659 5.858 ( 3.851 5.813 -7.644) 10.346 5.858 ( -3.851 5.813 7.644) 10.346 5.996 ( -1.683 0.899 -6.157) 6.446 5.996 ( 1.683 0.899 6.157) 6.446 6.353 ( 2.351 5.916 -6.782) 9.301 6.353 ( -2.351 5.916 6.782) 9.301 6.394 ( -0.493 7.568 -3.225) 8.241 6.394 ( 0.493 7.568 3.225) 8.241 6.838 ( -1.776 -6.922 -5.158) 8.813 6.838 ( 1.776 -6.922 5.158) 8.813 7.322 ( -2.142 -3.157 -2.847) 4.761 7.322 ( 2.142 -3.157 2.847) 4.761 7.534 ( -1.268 3.590 -1.796) 4.210 7.534 ( 1.268 3.590 1.796) 4.210 7.960 ( -1.394 -5.774 -2.020) 6.274 7.960 ( 1.394 -5.774 2.020) 6.274 8.505 ( -0.119 2.980 -1.479) 3.329 8.505 ( 0.119 2.980 1.479) 3.329 9.051 ( -0.484 -2.230 -2.658) 3.503 9.051 ( 0.484 -2.230 2.658) 3.503 10.102 ( -0.419 1.651 -3.188) 3.615 10.102 ( 0.419 1.651 3.188) 3.615 10.566 ( 1.858 6.584 -5.274) 8.638 10.566 ( -1.858 6.584 5.274) 8.638 10.880 ( 0.707 -5.962 -8.225) 10.183 10.880 ( -0.707 -5.962 8.225) 10.183 11.733 ( 0.650 2.802 -3.821) 4.782 11.733 ( -0.650 2.802 3.821) 4.782 12.164 ( -0.043 -4.183 -3.455) 5.426 12.164 ( 0.043 -4.183 3.455) 5.426 12.753 ( -0.326 -1.073 -5.120) 5.241 12.753 ( 0.326 -1.073 5.120) 5.241 12.838 ( -0.528 -2.097 -5.534) 5.941 12.838 ( 0.528 -2.097 5.534) 5.941 18.489 ( -1.451 4.247 -13.227) 13.968 18.489 ( 1.451 4.247 13.227) 13.968 18.680 ( 3.033 23.956 -3.404) 24.386 18.680 ( -3.033 23.956 3.404) 24.386 18.919 ( 0.890 -6.169 -8.552) 10.582 18.919 ( -0.890 -6.169 8.552) 10.582 19.368 ( 0.503 -19.994 -2.355) 20.138 19.368 ( -0.503 -19.994 2.355) 20.138 22.830 ( -0.070 0.592 -1.474) 1.590 22.830 ( 0.070 0.592 1.474) 1.590 23.420 ( 0.027 1.582 -1.099) 1.927 23.420 ( -0.027 1.582 1.099) 1.927 ======================= Grid point 347 (166/170) ======================= q-point: ( 0.09 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -0.175 9.385 -3.119) 9.891 3.323 ( 2.352 -0.050 3.607) 4.306 3.398 ( 3.315 9.986 -4.652) 11.504 3.619 ( 1.774 -7.392 -0.538) 7.621 3.640 ( -2.495 7.342 -13.339) 15.429 3.716 ( -0.422 1.519 2.990) 3.380 3.896 ( -0.430 0.148 6.981) 6.996 4.051 ( -0.792 -13.636 -1.180) 13.709 4.318 ( 9.751 2.115 7.901) 12.727 4.390 ( 8.096 -3.400 1.165) 8.858 4.732 ( 3.355 0.199 3.448) 4.815 4.749 ( 0.733 -0.764 6.377) 6.464 5.294 ( -15.548 3.401 -4.242) 16.471 5.331 ( -14.975 -1.513 -9.536) 17.817 5.629 ( -10.554 4.931 -6.605) 13.391 5.714 ( -9.909 -1.433 -1.499) 10.123 5.862 ( -0.030 6.415 -10.876) 12.626 5.963 ( -1.820 -0.932 -5.030) 5.429 6.321 ( 5.608 4.020 -12.287) 14.092 6.349 ( 2.214 2.109 -5.762) 6.523 6.528 ( 2.185 6.727 7.671) 10.434 6.724 ( 6.565 -6.683 5.997) 11.123 6.844 ( 3.401 8.407 10.242) 13.681 6.901 ( -6.354 4.940 -1.814) 8.251 7.214 ( -5.517 -0.356 4.662) 7.232 7.351 ( -0.794 -13.312 13.565) 19.022 7.422 ( -5.206 1.555 -5.116) 7.463 7.469 ( -3.880 -1.567 -5.286) 6.742 8.018 ( 9.427 -0.800 -1.578) 9.591 8.061 ( 6.644 -3.576 -1.500) 7.693 8.517 ( 0.708 4.588 2.546) 5.295 8.556 ( 1.496 1.150 3.609) 4.072 9.012 ( 0.410 1.497 -3.599) 3.920 9.085 ( 0.979 -5.430 0.794) 5.575 10.041 ( 0.564 5.301 -6.886) 8.708 10.121 ( 1.396 -3.002 -4.030) 5.216 10.506 ( -4.420 5.091 3.374) 7.539 10.551 ( -2.258 1.911 -0.814) 3.069 10.882 ( 2.475 1.666 3.121) 4.318 10.985 ( -1.834 -6.557 8.531) 10.915 11.709 ( 1.367 5.017 -2.726) 5.872 11.776 ( 1.166 -0.649 2.678) 2.992 12.149 ( -0.840 -0.116 1.927) 2.105 12.221 ( -0.854 -6.215 6.442) 8.992 12.655 ( 7.567 0.214 -13.530) 15.504 12.696 ( 7.599 -3.530 -12.372) 14.942 13.000 ( 5.797 0.879 11.913) 13.278 13.046 ( 5.425 -3.677 13.343) 14.866 18.200 ( -6.947 11.676 -18.409) 22.880 18.435 ( -7.389 -11.264 -9.737) 16.622 18.709 ( -1.137 20.070 9.510) 22.238 18.757 ( 8.957 20.615 -1.117) 22.504 19.050 ( 4.120 2.720 15.035) 15.825 19.079 ( 3.126 -0.741 14.531) 14.882 19.415 ( 7.767 -18.601 -1.939) 20.250 19.486 ( 10.068 -19.557 2.318) 22.119 22.752 ( -4.799 2.109 -4.465) 6.886 22.786 ( -4.926 -1.269 -2.081) 5.496 23.350 ( -4.709 2.371 -3.953) 6.589 23.371 ( -5.093 0.294 -2.214) 5.562 ======================= Grid point 348 (167/170) ======================= q-point: ( 0.18 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -2.460 18.457 -11.724) 22.004 3.331 ( 0.311 -0.960 -4.443) 4.557 3.400 ( 0.904 0.826 -14.186) 14.239 3.568 ( -0.464 -2.327 -0.398) 2.406 3.575 ( 4.986 2.710 -0.874) 5.742 3.780 ( 3.325 -5.606 0.957) 6.588 4.051 ( 2.214 0.370 16.080) 16.236 4.103 ( -1.413 -4.282 10.873) 11.771 4.407 ( 0.792 3.202 -8.314) 8.944 4.499 ( 2.855 -4.200 -1.077) 5.192 4.806 ( -0.615 2.466 6.983) 7.431 4.856 ( 1.482 -1.868 7.798) 8.154 5.044 ( -6.194 5.730 -0.136) 8.439 5.166 ( 0.087 -3.917 2.166) 4.476 5.377 ( -9.459 9.085 -7.862) 15.291 5.585 ( -2.683 -9.019 -2.848) 9.831 5.716 ( -4.185 3.706 -5.678) 7.968 5.821 ( -7.425 -4.762 -4.664) 9.978 6.280 ( 6.173 5.987 -11.335) 14.228 6.292 ( -0.054 4.445 -7.395) 8.628 6.473 ( -16.365 5.118 -2.126) 17.278 6.645 ( -13.917 -9.547 -3.457) 17.227 6.744 ( -1.602 4.937 3.055) 6.023 6.867 ( -1.232 -4.041 -0.225) 4.231 7.259 ( -3.162 2.277 -7.525) 8.474 7.320 ( -3.463 -3.365 -6.152) 7.821 7.433 ( 5.145 7.522 12.724) 15.651 7.607 ( 4.293 -8.158 10.181) 13.734 8.142 ( 8.098 2.405 -2.754) 8.885 8.180 ( 12.292 -1.433 -1.253) 12.439 8.575 ( 1.611 4.121 3.993) 5.960 8.624 ( 0.894 0.046 4.450) 4.539 8.976 ( -0.837 4.079 -2.585) 4.901 9.092 ( -0.838 -7.102 -0.496) 7.169 9.979 ( 1.898 4.362 -6.107) 7.741 10.052 ( -0.416 -3.108 -6.807) 7.494 10.506 ( -1.997 4.773 4.967) 7.172 10.555 ( 1.699 -0.820 1.362) 2.327 10.962 ( 1.591 1.429 4.361) 4.857 11.009 ( -3.991 -2.780 5.947) 7.683 11.720 ( 1.530 6.627 0.157) 6.803 11.823 ( 0.416 -2.534 2.231) 3.401 12.165 ( -0.841 2.640 2.796) 3.936 12.269 ( -1.080 -6.605 4.372) 7.994 12.720 ( 13.167 0.391 -7.024) 14.929 12.758 ( 13.364 -3.285 -7.746) 15.792 13.254 ( 8.425 0.912 10.626) 13.592 13.295 ( 6.729 -3.159 11.367) 13.582 17.873 ( -7.063 12.242 -16.634) 21.828 18.145 ( -10.241 -14.709 -12.135) 21.644 18.880 ( 4.315 18.736 14.424) 24.036 18.942 ( 12.239 18.884 2.046) 22.596 19.249 ( -0.036 -1.741 17.608) 17.694 19.384 ( 9.984 5.889 12.565) 17.095 19.549 ( 10.408 -15.016 -2.204) 18.403 19.719 ( 12.738 -16.920 3.292) 21.433 22.577 ( -8.135 2.098 -6.526) 10.638 22.620 ( -9.376 -2.274 -5.654) 11.183 23.179 ( -8.094 2.021 -6.332) 10.474 23.207 ( -8.503 -0.774 -5.392) 10.098 ======================= Grid point 349 (168/170) ======================= q-point: ( 0.27 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -3.288 20.327 -12.653) 24.168 3.224 ( -5.069 -12.875 -7.576) 15.775 3.265 ( 5.198 9.691 -14.255) 18.004 3.442 ( -2.408 -8.929 -8.264) 12.403 3.767 ( 7.001 3.423 6.315) 10.030 3.839 ( 2.383 -1.756 2.066) 3.610 4.204 ( -3.705 4.474 13.047) 14.282 4.289 ( 3.099 -5.826 13.555) 15.076 4.307 ( 2.425 3.201 -9.243) 10.078 4.447 ( -2.503 -8.138 -0.584) 8.534 4.902 ( -6.347 5.068 6.501) 10.404 4.972 ( -6.083 1.584 6.777) 9.243 5.086 ( 5.862 6.084 8.347) 11.876 5.117 ( -3.402 5.834 -0.788) 6.799 5.224 ( 1.324 -3.023 1.491) 3.622 5.436 ( -12.099 -16.945 -6.554) 21.828 5.626 ( -2.049 2.772 -2.209) 4.094 5.729 ( -0.947 -5.412 1.941) 5.827 6.107 ( -13.560 7.965 -4.156) 16.266 6.196 ( -3.729 5.841 -5.411) 8.792 6.294 ( 4.311 -0.462 -6.709) 7.988 6.384 ( -0.495 -5.937 -10.084) 11.712 6.797 ( 0.015 4.024 4.210) 5.824 6.903 ( 0.611 -3.575 3.792) 5.247 7.123 ( -2.457 1.262 -7.812) 8.286 7.186 ( -2.001 -3.114 -7.050) 7.963 7.477 ( -3.890 7.428 -4.748) 9.636 7.649 ( -4.287 -8.407 -1.683) 9.585 8.309 ( 9.505 7.484 1.823) 12.235 8.370 ( 9.513 0.969 0.527) 9.577 8.669 ( 2.075 1.567 4.541) 5.233 8.708 ( 3.948 -1.864 5.710) 7.188 8.908 ( -3.669 5.576 -2.276) 7.052 9.040 ( -3.387 -7.487 -1.679) 8.387 9.968 ( 3.047 2.497 -3.237) 5.099 10.007 ( 2.334 -1.310 -2.612) 3.740 10.526 ( -0.805 4.022 1.643) 4.419 10.587 ( -0.885 -2.235 1.341) 2.752 11.053 ( 2.139 0.887 5.946) 6.381 11.065 ( 4.088 -0.140 5.942) 7.214 11.744 ( 0.399 6.556 -0.024) 6.568 11.827 ( -2.057 -0.953 0.596) 2.344 12.193 ( 0.667 3.169 2.564) 4.130 12.296 ( 0.149 -6.253 2.014) 6.571 12.857 ( 9.372 1.556 -3.208) 10.028 12.917 ( 11.027 -4.308 -2.822) 12.170 13.520 ( 8.982 0.406 9.059) 12.763 13.537 ( 7.840 -1.393 8.911) 11.950 17.588 ( -5.575 10.348 -13.284) 17.738 17.834 ( -10.658 -13.929 -10.404) 20.393 19.155 ( 9.156 17.766 10.467) 22.562 19.218 ( 12.392 16.597 10.606) 23.271 19.470 ( 1.023 -1.002 17.684) 17.742 19.662 ( 9.927 -6.868 3.796) 12.654 19.706 ( 9.081 2.647 2.997) 9.922 19.966 ( 12.253 -13.949 2.474) 18.730 22.323 ( -12.002 0.140 -9.337) 15.206 22.351 ( -11.193 -2.382 -8.902) 14.499 22.957 ( -8.336 1.282 -6.600) 10.710 22.993 ( -8.184 -2.228 -5.823) 10.288 ======================= Grid point 350 (169/170) ======================= q-point: ( 0.36 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -1.508 15.129 -9.658) 18.012 3.006 ( -9.864 -14.239 -7.594) 18.913 3.226 ( 6.938 6.535 -10.417) 14.119 3.330 ( -0.281 -4.264 -6.217) 7.544 3.926 ( 6.160 0.622 3.773) 7.250 3.956 ( 6.431 -1.172 5.304) 8.418 4.282 ( 4.331 3.504 -2.904) 6.282 4.290 ( 2.984 5.619 0.857) 6.420 4.424 ( 4.381 -4.991 0.480) 6.659 4.504 ( -6.471 -8.354 18.882) 21.637 4.745 ( -12.387 6.873 1.358) 14.231 4.849 ( -9.469 8.145 -3.171) 12.887 4.909 ( -11.803 -7.686 -0.522) 14.095 5.061 ( -19.267 -13.200 -6.835) 24.335 5.399 ( 9.017 3.295 10.028) 13.882 5.483 ( 7.602 -4.270 12.478) 15.222 5.574 ( -2.137 4.990 -0.585) 5.460 5.706 ( -2.624 -5.795 0.667) 6.396 5.927 ( -1.315 8.244 -0.410) 8.358 6.090 ( -3.510 -8.397 -0.560) 9.118 6.357 ( 10.535 5.726 -4.093) 12.670 6.390 ( 8.573 1.419 -7.133) 11.242 6.812 ( -3.092 4.420 2.361) 5.888 6.928 ( -1.198 -1.487 -0.880) 2.103 6.979 ( -3.236 -0.408 -8.059) 8.694 7.074 ( -1.618 -5.265 -9.763) 11.210 7.335 ( -2.638 8.946 -4.280) 10.262 7.502 ( -5.945 -7.439 -5.287) 10.892 8.420 ( 2.897 5.977 1.625) 6.838 8.487 ( 3.556 -0.825 -1.048) 3.798 8.742 ( -0.287 4.818 3.508) 5.967 8.803 ( -1.152 1.484 0.692) 2.002 8.885 ( 4.111 0.476 2.716) 4.950 8.968 ( -1.390 -5.949 -1.691) 6.339 10.003 ( 3.388 2.026 -0.510) 3.980 10.042 ( 3.109 -1.674 -0.824) 3.626 10.518 ( -1.207 3.007 0.431) 3.268 10.560 ( -3.011 -1.272 0.712) 3.345 11.211 ( 6.760 2.300 6.842) 9.889 11.240 ( 7.399 -0.374 6.645) 9.952 11.714 ( -2.399 5.366 -2.536) 6.402 11.769 ( -4.176 0.382 -1.574) 4.479 12.246 ( 1.836 3.115 2.538) 4.417 12.322 ( 0.674 -4.077 0.920) 4.233 12.952 ( 5.306 1.693 -1.302) 5.720 13.023 ( 4.474 -5.048 -1.506) 6.911 13.746 ( 6.593 0.478 6.362) 9.174 13.751 ( 6.820 -0.034 5.718) 8.900 17.388 ( -2.556 6.361 -8.651) 11.038 17.560 ( -9.242 -10.628 -7.174) 15.806 19.403 ( 9.980 15.006 4.202) 18.506 19.562 ( 6.043 4.341 15.799) 17.463 19.672 ( 4.249 5.262 10.478) 12.471 19.816 ( 3.766 -5.027 6.219) 8.839 19.913 ( 11.194 12.077 0.581) 16.477 20.173 ( 8.684 -8.779 1.943) 12.500 21.980 ( -11.820 -0.665 -11.740) 16.673 22.056 ( -11.292 -6.761 -9.252) 16.088 22.776 ( -5.055 0.452 -4.137) 6.548 22.818 ( -5.773 -3.368 -3.770) 7.674 ======================= Grid point 351 (170/170) ======================= q-point: ( 0.45 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 297 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 3.793 3.929 -2.922) 6.194 2.762 ( -9.241 -7.856 -4.368) 12.891 3.238 ( 4.910 2.902 -4.802) 7.456 3.274 ( -1.734 -0.700 -1.315) 2.286 4.110 ( 8.490 0.918 4.999) 9.896 4.149 ( 8.956 -2.566 3.301) 9.883 4.324 ( 5.237 1.698 -3.300) 6.419 4.360 ( 4.205 0.238 -1.432) 4.449 4.441 ( -5.934 3.383 0.805) 6.878 4.518 ( -10.927 -5.429 2.364) 12.428 4.608 ( -9.732 1.064 2.867) 10.201 4.625 ( -3.726 -0.209 1.288) 3.948 4.757 ( -5.886 -3.590 -0.950) 6.959 4.788 ( -4.749 -6.086 -1.003) 7.785 5.502 ( 4.339 3.596 -3.426) 6.595 5.551 ( -3.857 2.012 1.868) 4.734 5.626 ( 2.902 -5.361 0.149) 6.098 5.680 ( -4.833 -7.371 2.993) 9.309 6.102 ( 7.828 3.290 12.678) 15.259 6.157 ( 5.219 -2.402 7.262) 9.260 6.409 ( 2.682 6.157 -7.783) 10.280 6.428 ( 1.115 6.467 -6.039) 8.918 6.765 ( -2.393 4.967 0.699) 5.558 6.807 ( -1.403 3.581 -7.221) 8.181 6.896 ( 1.941 -6.563 -7.063) 9.835 6.924 ( -6.816 -8.775 0.499) 11.123 7.321 ( 1.614 4.335 0.813) 4.697 7.378 ( -2.950 -1.486 -2.825) 4.346 8.470 ( 0.770 4.435 1.698) 4.811 8.492 ( 0.151 1.865 -1.516) 2.408 8.739 ( -0.057 1.239 1.001) 1.594 8.779 ( -2.511 -1.437 -0.771) 2.994 8.964 ( 1.484 0.186 2.231) 2.686 8.979 ( 1.958 -0.626 -0.796) 2.204 10.051 ( 2.050 0.421 0.305) 2.115 10.068 ( 0.759 -1.217 -0.620) 1.562 10.509 ( -0.161 1.962 0.235) 1.982 10.523 ( -1.931 0.545 0.375) 2.041 11.406 ( 6.654 2.923 5.720) 9.249 11.438 ( 6.456 -0.108 4.999) 8.166 11.613 ( -4.029 4.234 -3.694) 6.914 11.653 ( -5.671 0.532 -3.606) 6.741 12.303 ( 1.681 2.052 1.591) 3.093 12.331 ( -0.348 -0.676 -0.204) 0.787 13.010 ( 2.598 -0.572 0.143) 2.664 13.041 ( 0.012 -3.495 -1.089) 3.661 13.875 ( 2.602 0.709 2.173) 3.464 13.878 ( 2.413 0.529 2.093) 3.238 17.310 ( 1.673 0.737 -3.088) 3.589 17.372 ( -6.032 -5.395 -2.518) 8.475 19.580 ( 6.492 7.929 2.151) 10.471 19.661 ( -2.019 -0.631 1.060) 2.366 19.891 ( 2.254 4.099 8.756) 9.928 19.922 ( -0.440 1.109 5.339) 5.471 20.111 ( 14.002 16.191 -1.746) 21.477 20.256 ( -2.456 4.048 0.933) 4.826 21.738 ( -2.385 -5.929 -5.666) 8.541 21.794 ( -8.196 -10.011 -4.908) 13.838 22.697 ( -0.844 -1.177 -1.176) 1.865 22.715 ( -2.797 -2.893 -1.345) 4.243 =================== 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 3/35640 10.0 1154.038 1142.777 1482.902 0.000 -62.658 0.000 3/35640 20.0 870.665 796.659 889.177 0.000 -8.069 0.000 3/35640 30.0 291.540 254.460 282.240 0.000 1.148 0.000 3/35640 40.0 134.339 119.472 131.074 0.000 1.969 0.000 3/35640 50.0 78.739 70.927 77.614 0.000 1.690 0.000 3/35640 60.0 53.100 48.077 52.783 0.000 1.362 0.000 3/35640 70.0 39.120 35.451 39.111 0.000 1.111 0.000 3/35640 80.0 30.601 27.706 30.706 0.000 0.930 0.000 3/35640 90.0 24.982 22.584 25.122 0.000 0.797 0.000 3/35640 100.0 21.048 18.998 21.193 0.000 0.696 0.000 3/35640 110.0 18.164 16.374 18.303 0.000 0.617 0.000 3/35640 120.0 15.972 14.384 16.100 0.000 0.554 0.000 3/35640 130.0 14.256 12.830 14.373 0.000 0.502 0.000 3/35640 140.0 12.878 11.586 12.985 0.000 0.459 0.000 3/35640 150.0 11.751 10.570 11.847 0.000 0.422 0.000 3/35640 160.0 10.811 9.725 10.899 0.000 0.391 0.000 3/35640 170.0 10.016 9.012 10.097 0.000 0.363 0.000 3/35640 180.0 9.335 8.403 9.410 0.000 0.340 0.000 3/35640 190.0 8.745 7.875 8.814 0.000 0.319 0.000 3/35640 200.0 8.228 7.415 8.293 0.000 0.300 0.000 3/35640 210.0 7.773 7.008 7.833 0.000 0.283 0.000 3/35640 220.0 7.367 6.647 7.424 0.000 0.268 0.000 3/35640 230.0 7.004 6.324 7.058 0.000 0.255 0.000 3/35640 240.0 6.677 6.032 6.728 0.000 0.242 0.000 3/35640 250.0 6.380 5.768 6.429 0.000 0.231 0.000 3/35640 260.0 6.110 5.528 6.157 0.000 0.221 0.000 3/35640 270.0 5.863 5.308 5.908 0.000 0.212 0.000 3/35640 280.0 5.636 5.106 5.679 0.000 0.203 0.000 3/35640 290.0 5.427 4.919 5.468 0.000 0.195 0.000 3/35640 300.0 5.233 4.746 5.272 0.000 0.188 0.000 3/35640 310.0 5.053 4.586 5.091 0.000 0.181 0.000 3/35640 320.0 4.886 4.436 4.922 0.000 0.174 0.000 3/35640 330.0 4.729 4.296 4.765 0.000 0.169 0.000 3/35640 340.0 4.583 4.166 4.617 0.000 0.163 0.000 3/35640 350.0 4.446 4.043 4.479 0.000 0.158 0.000 3/35640 360.0 4.317 3.927 4.349 0.000 0.153 0.000 3/35640 370.0 4.195 3.818 4.227 0.000 0.148 0.000 3/35640 380.0 4.080 3.716 4.111 0.000 0.144 0.000 3/35640 390.0 3.972 3.618 4.002 0.000 0.140 0.000 3/35640 400.0 3.869 3.526 3.898 0.000 0.136 0.000 3/35640 410.0 3.772 3.438 3.800 0.000 0.133 0.000 3/35640 420.0 3.679 3.355 3.707 0.000 0.129 0.000 3/35640 430.0 3.591 3.276 3.619 0.000 0.126 0.000 3/35640 440.0 3.508 3.201 3.534 0.000 0.123 0.000 3/35640 450.0 3.428 3.129 3.454 0.000 0.120 0.000 3/35640 460.0 3.351 3.060 3.377 0.000 0.117 0.000 3/35640 470.0 3.278 2.994 3.303 0.000 0.114 0.000 3/35640 480.0 3.209 2.931 3.233 0.000 0.112 0.000 3/35640 490.0 3.142 2.871 3.166 0.000 0.109 0.000 3/35640 500.0 3.078 2.813 3.101 0.000 0.107 0.000 3/35640 510.0 3.016 2.757 3.039 0.000 0.105 0.000 3/35640 520.0 2.957 2.704 2.980 0.000 0.103 0.000 3/35640 530.0 2.901 2.653 2.923 0.000 0.101 0.000 3/35640 540.0 2.846 2.603 2.868 0.000 0.099 0.000 3/35640 550.0 2.794 2.556 2.815 0.000 0.097 0.000 3/35640 560.0 2.743 2.510 2.764 0.000 0.095 0.000 3/35640 570.0 2.694 2.466 2.715 0.000 0.093 0.000 3/35640 580.0 2.647 2.423 2.668 0.000 0.091 0.000 3/35640 590.0 2.602 2.382 2.622 0.000 0.090 0.000 3/35640 600.0 2.558 2.342 2.578 0.000 0.088 0.000 3/35640 610.0 2.516 2.304 2.535 0.000 0.087 0.000 3/35640 620.0 2.475 2.266 2.494 0.000 0.085 0.000 3/35640 630.0 2.435 2.230 2.454 0.000 0.084 0.000 3/35640 640.0 2.396 2.195 2.415 0.000 0.082 0.000 3/35640 650.0 2.359 2.162 2.377 0.000 0.081 0.000 3/35640 660.0 2.323 2.129 2.341 0.000 0.080 0.000 3/35640 670.0 2.288 2.097 2.306 0.000 0.079 0.000 3/35640 680.0 2.254 2.066 2.272 0.000 0.077 0.000 3/35640 690.0 2.221 2.036 2.239 0.000 0.076 0.000 3/35640 700.0 2.189 2.007 2.206 0.000 0.075 0.000 3/35640 710.0 2.158 1.979 2.175 0.000 0.074 0.000 3/35640 720.0 2.128 1.951 2.145 0.000 0.073 0.000 3/35640 730.0 2.099 1.924 2.115 0.000 0.072 0.000 3/35640 740.0 2.070 1.898 2.086 0.000 0.071 0.000 3/35640 750.0 2.042 1.873 2.058 0.000 0.070 0.000 3/35640 760.0 2.015 1.848 2.031 0.000 0.069 0.000 3/35640 770.0 1.989 1.824 2.005 0.000 0.068 0.000 3/35640 780.0 1.963 1.801 1.979 0.000 0.067 0.000 3/35640 790.0 1.938 1.778 1.954 0.000 0.066 0.000 3/35640 800.0 1.914 1.756 1.929 0.000 0.065 0.000 3/35640 810.0 1.890 1.734 1.905 0.000 0.065 0.000 3/35640 820.0 1.867 1.713 1.882 0.000 0.064 0.000 3/35640 830.0 1.845 1.693 1.859 0.000 0.063 0.000 3/35640 840.0 1.822 1.672 1.837 0.000 0.062 0.000 3/35640 850.0 1.801 1.653 1.815 0.000 0.061 0.000 3/35640 860.0 1.780 1.634 1.794 0.000 0.061 0.000 3/35640 870.0 1.759 1.615 1.773 0.000 0.060 0.000 3/35640 880.0 1.739 1.596 1.753 0.000 0.059 0.000 3/35640 890.0 1.720 1.579 1.733 0.000 0.059 0.000 3/35640 900.0 1.700 1.561 1.714 0.000 0.058 0.000 3/35640 910.0 1.682 1.544 1.695 0.000 0.057 0.000 3/35640 920.0 1.663 1.527 1.676 0.000 0.057 0.000 3/35640 930.0 1.645 1.511 1.658 0.000 0.056 0.000 3/35640 940.0 1.628 1.495 1.641 0.000 0.055 0.000 3/35640 950.0 1.611 1.479 1.623 0.000 0.055 0.000 3/35640 960.0 1.594 1.464 1.606 0.000 0.054 0.000 3/35640 970.0 1.577 1.448 1.590 0.000 0.054 0.000 3/35640 980.0 1.561 1.434 1.574 0.000 0.053 0.000 3/35640 990.0 1.545 1.419 1.558 0.000 0.053 0.000 3/35640 1000.0 1.530 1.405 1.542 0.000 0.052 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m1196.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|