----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:45:49]------------------------- 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 6.351866270720477 0.000000000000000 0.000000000000000 b 0.000000000000000 6.454634920000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): *1 F 0.13549337605270 0.24658066576520 0.45706550960945 18.998 2 F 0.86450662394730 0.74658066576520 0.04293449039055 18.998 3 F 0.86450662394730 0.75341933423480 0.54293449039055 18.998 4 F 0.13549337605270 0.25341933423480 0.95706550960945 18.998 *5 F 0.77922964976904 0.31740675913141 0.53361828663817 18.998 6 F 0.22077035023096 0.81740675913141 0.96638171336183 18.998 7 F 0.22077035023096 0.68259324086859 0.46638171336183 18.998 8 F 0.77922964976904 0.18259324086859 0.03361828663817 18.998 *9 F 0.28909662668109 0.02553277596424 0.21745510878800 18.998 10 F 0.71090337331891 0.52553277596424 0.28254489121200 18.998 11 F 0.71090337331891 0.97446722403576 0.78254489121200 18.998 12 F 0.28909662668109 0.47446722403576 0.71745510878800 18.998 *13 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 14 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 *15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 16 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 *17 Rb 0.75847100336592 0.53729120595132 0.74969956902507 85.468 18 Rb 0.24152899663408 0.03729120595132 0.75030043097493 85.468 19 Rb 0.24152899663408 0.46270879404867 0.25030043097493 85.468 20 Rb 0.75847100336592 0.96270879404868 0.24969956902507 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.351866270720477 0.000000000000000 0.000000000000000 b 0.000000000000000 6.454634920000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): *1 F 0.13549337605270 0.24658066576520 0.45706550960945 18.998 > 1 2 F 0.86450662394730 0.74658066576520 0.04293449039055 18.998 > 2 3 F 0.86450662394730 0.75341933423480 0.54293449039055 18.998 > 3 4 F 0.13549337605270 0.25341933423480 0.95706550960945 18.998 > 4 *5 F 0.77922964976904 0.31740675913141 0.53361828663817 18.998 > 5 6 F 0.22077035023096 0.81740675913141 0.96638171336183 18.998 > 6 7 F 0.22077035023096 0.68259324086859 0.46638171336183 18.998 > 7 8 F 0.77922964976904 0.18259324086859 0.03361828663817 18.998 > 8 *9 F 0.28909662668109 0.02553277596424 0.21745510878800 18.998 > 9 10 F 0.71090337331891 0.52553277596424 0.28254489121200 18.998 > 10 11 F 0.71090337331891 0.97446722403576 0.78254489121200 18.998 > 11 12 F 0.28909662668109 0.47446722403576 0.71745510878800 18.998 > 12 *13 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 13 14 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 14 *15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 15 16 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 16 *17 Rb 0.75847100336592 0.53729120595132 0.74969956902507 85.468 > 17 18 Rb 0.24152899663408 0.03729120595132 0.75030043097493 85.468 > 18 19 Rb 0.24152899663408 0.46270879404867 0.25030043097493 85.468 > 19 20 Rb 0.75847100336592 0.96270879404868 0.24969956902507 85.468 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.703732541440955 0.000000000000000 0.000000000000000 b 0.000000000000000 12.909269840000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): *1 F 0.06774668802635 0.12329033288260 0.45706550960945 18.998 > 1 2 F 0.56774668802635 0.12329033288260 0.45706550960945 18.998 > 1 3 F 0.06774668802635 0.62329033288260 0.45706550960945 18.998 > 1 4 F 0.56774668802635 0.62329033288260 0.45706550960945 18.998 > 1 5 F 0.43225331197365 0.37329033288260 0.04293449039055 18.998 > 2 6 F 0.93225331197365 0.37329033288260 0.04293449039055 18.998 > 2 7 F 0.43225331197365 0.87329033288260 0.04293449039055 18.998 > 2 8 F 0.93225331197365 0.87329033288260 0.04293449039055 18.998 > 2 9 F 0.43225331197365 0.37670966711740 0.54293449039055 18.998 > 3 10 F 0.93225331197365 0.37670966711740 0.54293449039055 18.998 > 3 11 F 0.43225331197365 0.87670966711740 0.54293449039055 18.998 > 3 12 F 0.93225331197365 0.87670966711740 0.54293449039055 18.998 > 3 13 F 0.06774668802635 0.12670966711740 0.95706550960945 18.998 > 4 14 F 0.56774668802635 0.12670966711740 0.95706550960945 18.998 > 4 15 F 0.06774668802635 0.62670966711740 0.95706550960945 18.998 > 4 16 F 0.56774668802635 0.62670966711740 0.95706550960945 18.998 > 4 *17 F 0.38961482488452 0.15870337956571 0.53361828663817 18.998 > 5 18 F 0.88961482488452 0.15870337956571 0.53361828663817 18.998 > 5 19 F 0.38961482488452 0.65870337956571 0.53361828663817 18.998 > 5 20 F 0.88961482488452 0.65870337956571 0.53361828663817 18.998 > 5 21 F 0.11038517511548 0.40870337956571 0.96638171336183 18.998 > 6 22 F 0.61038517511548 0.40870337956571 0.96638171336183 18.998 > 6 23 F 0.11038517511548 0.90870337956571 0.96638171336183 18.998 > 6 24 F 0.61038517511548 0.90870337956571 0.96638171336183 18.998 > 6 25 F 0.11038517511548 0.34129662043429 0.46638171336183 18.998 > 7 26 F 0.61038517511548 0.34129662043429 0.46638171336183 18.998 > 7 27 F 0.11038517511548 0.84129662043429 0.46638171336183 18.998 > 7 28 F 0.61038517511548 0.84129662043429 0.46638171336183 18.998 > 7 29 F 0.38961482488452 0.09129662043429 0.03361828663817 18.998 > 8 30 F 0.88961482488452 0.09129662043429 0.03361828663817 18.998 > 8 31 F 0.38961482488452 0.59129662043429 0.03361828663817 18.998 > 8 32 F 0.88961482488452 0.59129662043429 0.03361828663817 18.998 > 8 *33 F 0.14454831334055 0.01276638798212 0.21745510878800 18.998 > 9 34 F 0.64454831334055 0.01276638798212 0.21745510878800 18.998 > 9 35 F 0.14454831334055 0.51276638798212 0.21745510878800 18.998 > 9 36 F 0.64454831334055 0.51276638798212 0.21745510878800 18.998 > 9 37 F 0.35545168665945 0.26276638798212 0.28254489121200 18.998 > 10 38 F 0.85545168665945 0.26276638798212 0.28254489121200 18.998 > 10 39 F 0.35545168665945 0.76276638798212 0.28254489121200 18.998 > 10 40 F 0.85545168665945 0.76276638798212 0.28254489121200 18.998 > 10 41 F 0.35545168665945 0.48723361201788 0.78254489121200 18.998 > 11 42 F 0.85545168665945 0.48723361201788 0.78254489121200 18.998 > 11 43 F 0.35545168665945 0.98723361201788 0.78254489121200 18.998 > 11 44 F 0.85545168665945 0.98723361201788 0.78254489121200 18.998 > 11 45 F 0.14454831334055 0.23723361201788 0.71745510878800 18.998 > 12 46 F 0.64454831334055 0.23723361201788 0.71745510878800 18.998 > 12 47 F 0.14454831334055 0.73723361201788 0.71745510878800 18.998 > 12 48 F 0.64454831334055 0.73723361201788 0.71745510878800 18.998 > 12 *49 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 13 50 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 13 51 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 13 52 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 13 53 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 14 54 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 14 55 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 14 56 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 14 *57 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 15 58 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 15 59 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 15 60 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 15 61 Sc 0.00000000000000 0.25000000000000 0.50000000000000 44.956 > 16 62 Sc 0.50000000000000 0.25000000000000 0.50000000000000 44.956 > 16 63 Sc 0.00000000000000 0.75000000000000 0.50000000000000 44.956 > 16 64 Sc 0.50000000000000 0.75000000000000 0.50000000000000 44.956 > 16 *65 Rb 0.37923550168296 0.26864560297566 0.74969956902507 85.468 > 17 66 Rb 0.87923550168296 0.26864560297566 0.74969956902507 85.468 > 17 67 Rb 0.37923550168296 0.76864560297566 0.74969956902507 85.468 > 17 68 Rb 0.87923550168296 0.76864560297566 0.74969956902507 85.468 > 17 69 Rb 0.12076449831704 0.01864560297566 0.75030043097493 85.468 > 18 70 Rb 0.62076449831704 0.01864560297566 0.75030043097493 85.468 > 18 71 Rb 0.12076449831704 0.51864560297566 0.75030043097493 85.468 > 18 72 Rb 0.62076449831704 0.51864560297566 0.75030043097493 85.468 > 18 73 Rb 0.12076449831704 0.23135439702434 0.25030043097493 85.468 > 19 74 Rb 0.62076449831704 0.23135439702434 0.25030043097493 85.468 > 19 75 Rb 0.12076449831704 0.73135439702434 0.25030043097493 85.468 > 19 76 Rb 0.62076449831704 0.73135439702434 0.25030043097493 85.468 > 19 77 Rb 0.37923550168296 0.48135439702434 0.24969956902507 85.468 > 20 78 Rb 0.87923550168296 0.48135439702434 0.24969956902507 85.468 > 20 79 Rb 0.37923550168296 0.98135439702434 0.24969956902507 85.468 > 20 80 Rb 0.87923550168296 0.98135439702434 0.24969956902507 85.468 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1431854 0.0000000 -0.0046235 0.0000000 2.1405496 0.0000000 -0.0046238 0.0000000 2.1399263 -------------------------- Born effective charges -------------------------- 1 F -1.1470893 0.3720771 0.1127919 0.3778442 -1.4483129 -0.1456529 0.1155912 -0.1462442 -0.9193245 2 F -1.1470893 -0.3720771 0.1127919 -0.3778442 -1.4483129 0.1456529 0.1155912 0.1462442 -0.9193245 3 F -1.1470893 0.3720771 0.1127919 0.3778442 -1.4483129 -0.1456529 0.1155912 -0.1462442 -0.9193245 4 F -1.1470893 -0.3720771 0.1127919 -0.3778442 -1.4483129 0.1456529 0.1155912 0.1462442 -0.9193245 5 F -1.4217016 -0.3863725 0.0875230 -0.3794217 -1.1790258 0.0625418 0.0964908 0.0655409 -0.9117945 6 F -1.4217016 0.3863725 0.0875230 0.3794217 -1.1790258 -0.0625418 0.0964908 -0.0655409 -0.9117945 7 F -1.4217016 -0.3863725 0.0875230 -0.3794217 -1.1790258 0.0625418 0.0964908 0.0655409 -0.9117945 8 F -1.4217016 0.3863725 0.0875230 0.3794217 -1.1790258 -0.0625418 0.0964908 -0.0655409 -0.9117945 9 F -0.9546643 0.0218370 -0.1889665 0.0234385 -0.8822766 -0.0864443 -0.1842714 -0.0806260 -1.6782616 10 F -0.9546643 -0.0218370 -0.1889665 -0.0234385 -0.8822766 0.0864443 -0.1842714 0.0806260 -1.6782616 11 F -0.9546643 0.0218370 -0.1889665 0.0234385 -0.8822766 -0.0864443 -0.1842714 -0.0806260 -1.6782616 12 F -0.9546643 -0.0218370 -0.1889665 -0.0234385 -0.8822766 0.0864443 -0.1842714 0.0806260 -1.6782616 13 K 1.2439983 0.0344020 0.0443594 -0.0108973 1.2544657 -0.0251056 -0.0253812 -0.0321661 1.2577964 14 K 1.2439983 -0.0344020 0.0443594 0.0108973 1.2544657 0.0251056 -0.0253812 0.0321661 1.2577964 15 Sc 3.3420485 0.0128253 -0.0272194 0.0339478 3.3286551 0.0738243 -0.0442868 0.0455127 3.3477784 16 Sc 3.3420485 -0.0128253 -0.0272194 -0.0339478 3.3286551 -0.0738243 -0.0442868 -0.0455127 3.3477784 17 Rb 1.2304318 -0.0427693 -0.0199183 -0.0446464 1.2180549 0.0173355 0.0070233 0.0310703 1.2065932 18 Rb 1.2304318 0.0427693 -0.0199183 0.0446464 1.2180549 -0.0173355 0.0070233 -0.0310703 1.2065932 19 Rb 1.2304318 -0.0427693 -0.0199183 -0.0446464 1.2180549 0.0173355 0.0070233 0.0310703 1.2065932 20 Rb 1.2304318 0.0427693 -0.0199183 0.0446464 1.2180549 -0.0173355 0.0070233 -0.0310703 1.2065932 ---------------------------------------------------------------------------- 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, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.344 Solver_block: 200 / 640 - Time: 2.342 Solver_block: 300 / 640 - Time: 2.592 Solver_block: 400 / 640 - Time: 2.422 Solver_block: 500 / 640 - Time: 2.244 Solver_block: 600 / 640 - Time: 2.365 Solver_block: 640 / 640 - Time: 0.997 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.520 --------------------------------- 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, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:46:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.351866270720477 0.000000000000000 0.000000000000000 b 0.000000000000000 6.454634920000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): 1 F 0.13549337605270 0.24658066576520 0.45706550960945 18.998 2 F 0.86450662394730 0.74658066576520 0.04293449039055 18.998 3 F 0.86450662394730 0.75341933423480 0.54293449039055 18.998 4 F 0.13549337605270 0.25341933423480 0.95706550960945 18.998 5 F 0.77922964976904 0.31740675913141 0.53361828663817 18.998 6 F 0.22077035023096 0.81740675913141 0.96638171336183 18.998 7 F 0.22077035023096 0.68259324086859 0.46638171336183 18.998 8 F 0.77922964976904 0.18259324086859 0.03361828663817 18.998 9 F 0.28909662668109 0.02553277596424 0.21745510878800 18.998 10 F 0.71090337331891 0.52553277596424 0.28254489121200 18.998 11 F 0.71090337331891 0.97446722403576 0.78254489121200 18.998 12 F 0.28909662668109 0.47446722403576 0.71745510878800 18.998 13 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 14 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 16 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 17 Rb 0.75847100336592 0.53729120595132 0.74969956902507 85.468 18 Rb 0.24152899663408 0.03729120595132 0.75030043097493 85.468 19 Rb 0.24152899663408 0.46270879404867 0.25030043097493 85.468 20 Rb 0.75847100336592 0.96270879404868 0.24969956902507 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.703732541440955 0.000000000000000 0.000000000000000 b 0.000000000000000 12.909269840000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): 1 F 0.06774668802635 0.12329033288260 0.45706550960945 18.998 > 1 2 F 0.56774668802635 0.12329033288260 0.45706550960945 18.998 > 1 3 F 0.06774668802635 0.62329033288260 0.45706550960945 18.998 > 1 4 F 0.56774668802635 0.62329033288260 0.45706550960945 18.998 > 1 5 F 0.43225331197365 0.37329033288260 0.04293449039055 18.998 > 5 6 F 0.93225331197365 0.37329033288260 0.04293449039055 18.998 > 5 7 F 0.43225331197365 0.87329033288260 0.04293449039055 18.998 > 5 8 F 0.93225331197365 0.87329033288260 0.04293449039055 18.998 > 5 9 F 0.43225331197365 0.37670966711740 0.54293449039055 18.998 > 9 10 F 0.93225331197365 0.37670966711740 0.54293449039055 18.998 > 9 11 F 0.43225331197365 0.87670966711740 0.54293449039055 18.998 > 9 12 F 0.93225331197365 0.87670966711740 0.54293449039055 18.998 > 9 13 F 0.06774668802635 0.12670966711740 0.95706550960945 18.998 > 13 14 F 0.56774668802635 0.12670966711740 0.95706550960945 18.998 > 13 15 F 0.06774668802635 0.62670966711740 0.95706550960945 18.998 > 13 16 F 0.56774668802635 0.62670966711740 0.95706550960945 18.998 > 13 17 F 0.38961482488452 0.15870337956571 0.53361828663817 18.998 > 17 18 F 0.88961482488452 0.15870337956571 0.53361828663817 18.998 > 17 19 F 0.38961482488452 0.65870337956571 0.53361828663817 18.998 > 17 20 F 0.88961482488452 0.65870337956571 0.53361828663817 18.998 > 17 21 F 0.11038517511548 0.40870337956571 0.96638171336183 18.998 > 21 22 F 0.61038517511548 0.40870337956571 0.96638171336183 18.998 > 21 23 F 0.11038517511548 0.90870337956571 0.96638171336183 18.998 > 21 24 F 0.61038517511548 0.90870337956571 0.96638171336183 18.998 > 21 25 F 0.11038517511548 0.34129662043429 0.46638171336183 18.998 > 25 26 F 0.61038517511548 0.34129662043429 0.46638171336183 18.998 > 25 27 F 0.11038517511548 0.84129662043429 0.46638171336183 18.998 > 25 28 F 0.61038517511548 0.84129662043429 0.46638171336183 18.998 > 25 29 F 0.38961482488452 0.09129662043429 0.03361828663817 18.998 > 29 30 F 0.88961482488452 0.09129662043429 0.03361828663817 18.998 > 29 31 F 0.38961482488452 0.59129662043429 0.03361828663817 18.998 > 29 32 F 0.88961482488452 0.59129662043429 0.03361828663817 18.998 > 29 33 F 0.14454831334055 0.01276638798212 0.21745510878800 18.998 > 33 34 F 0.64454831334055 0.01276638798212 0.21745510878800 18.998 > 33 35 F 0.14454831334055 0.51276638798212 0.21745510878800 18.998 > 33 36 F 0.64454831334055 0.51276638798212 0.21745510878800 18.998 > 33 37 F 0.35545168665945 0.26276638798212 0.28254489121200 18.998 > 37 38 F 0.85545168665945 0.26276638798212 0.28254489121200 18.998 > 37 39 F 0.35545168665945 0.76276638798212 0.28254489121200 18.998 > 37 40 F 0.85545168665945 0.76276638798212 0.28254489121200 18.998 > 37 41 F 0.35545168665945 0.48723361201788 0.78254489121200 18.998 > 41 42 F 0.85545168665945 0.48723361201788 0.78254489121200 18.998 > 41 43 F 0.35545168665945 0.98723361201788 0.78254489121200 18.998 > 41 44 F 0.85545168665945 0.98723361201788 0.78254489121200 18.998 > 41 45 F 0.14454831334055 0.23723361201788 0.71745510878800 18.998 > 45 46 F 0.64454831334055 0.23723361201788 0.71745510878800 18.998 > 45 47 F 0.14454831334055 0.73723361201788 0.71745510878800 18.998 > 45 48 F 0.64454831334055 0.73723361201788 0.71745510878800 18.998 > 45 49 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 49 50 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 49 51 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 49 52 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 49 53 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 53 54 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 53 55 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 53 56 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 53 57 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 57 58 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 57 59 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 57 60 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 57 61 Sc 0.00000000000000 0.25000000000000 0.50000000000000 44.956 > 61 62 Sc 0.50000000000000 0.25000000000000 0.50000000000000 44.956 > 61 63 Sc 0.00000000000000 0.75000000000000 0.50000000000000 44.956 > 61 64 Sc 0.50000000000000 0.75000000000000 0.50000000000000 44.956 > 61 65 Rb 0.37923550168296 0.26864560297566 0.74969956902507 85.468 > 65 66 Rb 0.87923550168296 0.26864560297566 0.74969956902507 85.468 > 65 67 Rb 0.37923550168296 0.76864560297566 0.74969956902507 85.468 > 65 68 Rb 0.87923550168296 0.76864560297566 0.74969956902507 85.468 > 65 69 Rb 0.12076449831704 0.01864560297566 0.75030043097493 85.468 > 69 70 Rb 0.62076449831704 0.01864560297566 0.75030043097493 85.468 > 69 71 Rb 0.12076449831704 0.51864560297566 0.75030043097493 85.468 > 69 72 Rb 0.62076449831704 0.51864560297566 0.75030043097493 85.468 > 69 73 Rb 0.12076449831704 0.23135439702434 0.25030043097493 85.468 > 73 74 Rb 0.62076449831704 0.23135439702434 0.25030043097493 85.468 > 73 75 Rb 0.12076449831704 0.73135439702434 0.25030043097493 85.468 > 73 76 Rb 0.62076449831704 0.73135439702434 0.25030043097493 85.468 > 73 77 Rb 0.37923550168296 0.48135439702434 0.24969956902507 85.468 > 77 78 Rb 0.87923550168296 0.48135439702434 0.24969956902507 85.468 > 77 79 Rb 0.37923550168296 0.98135439702434 0.24969956902507 85.468 > 77 80 Rb 0.87923550168296 0.98135439702434 0.24969956902507 85.468 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1431854 0.0000000 -0.0046235 0.0000000 2.1405496 0.0000000 -0.0046238 0.0000000 2.1399263 -------------------------- Born effective charges -------------------------- 1 F -1.1470893 0.3720771 0.1127919 0.3778442 -1.4483129 -0.1456529 0.1155912 -0.1462442 -0.9193245 2 F -1.1470893 -0.3720771 0.1127919 -0.3778442 -1.4483129 0.1456529 0.1155912 0.1462442 -0.9193245 3 F -1.1470893 0.3720771 0.1127919 0.3778442 -1.4483129 -0.1456529 0.1155912 -0.1462442 -0.9193245 4 F -1.1470893 -0.3720771 0.1127919 -0.3778442 -1.4483129 0.1456529 0.1155912 0.1462442 -0.9193245 5 F -1.4217016 -0.3863725 0.0875230 -0.3794217 -1.1790258 0.0625418 0.0964908 0.0655409 -0.9117945 6 F -1.4217016 0.3863725 0.0875230 0.3794217 -1.1790258 -0.0625418 0.0964908 -0.0655409 -0.9117945 7 F -1.4217016 -0.3863725 0.0875230 -0.3794217 -1.1790258 0.0625418 0.0964908 0.0655409 -0.9117945 8 F -1.4217016 0.3863725 0.0875230 0.3794217 -1.1790258 -0.0625418 0.0964908 -0.0655409 -0.9117945 9 F -0.9546643 0.0218370 -0.1889665 0.0234385 -0.8822766 -0.0864443 -0.1842714 -0.0806260 -1.6782616 10 F -0.9546643 -0.0218370 -0.1889665 -0.0234385 -0.8822766 0.0864443 -0.1842714 0.0806260 -1.6782616 11 F -0.9546643 0.0218370 -0.1889665 0.0234385 -0.8822766 -0.0864443 -0.1842714 -0.0806260 -1.6782616 12 F -0.9546643 -0.0218370 -0.1889665 -0.0234385 -0.8822766 0.0864443 -0.1842714 0.0806260 -1.6782616 13 K 1.2439983 0.0344020 0.0443594 -0.0108973 1.2544657 -0.0251056 -0.0253812 -0.0321661 1.2577964 14 K 1.2439983 -0.0344020 0.0443594 0.0108973 1.2544657 0.0251056 -0.0253812 0.0321661 1.2577964 15 Sc 3.3420485 0.0128253 -0.0272194 0.0339478 3.3286551 0.0738243 -0.0442868 0.0455127 3.3477784 16 Sc 3.3420485 -0.0128253 -0.0272194 -0.0339478 3.3286551 -0.0738243 -0.0442868 -0.0455127 3.3477784 17 Rb 1.2304318 -0.0427693 -0.0199183 -0.0446464 1.2180549 0.0173355 0.0070233 0.0310703 1.2065932 18 Rb 1.2304318 0.0427693 -0.0199183 0.0446464 1.2180549 -0.0173355 0.0070233 -0.0310703 1.2065932 19 Rb 1.2304318 -0.0427693 -0.0199183 -0.0446464 1.2180549 0.0173355 0.0070233 0.0310703 1.2065932 20 Rb 1.2304318 0.0427693 -0.0199183 0.0446464 1.2180549 -0.0173355 0.0070233 -0.0310703 1.2065932 ---------------------------------------------------------------------------- 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[ 57, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yx) -0.00000005 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:46:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:46:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.351866270720477 0.000000000000000 0.000000000000000 b 0.000000000000000 6.454634920000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): 1 F 0.13549337605270 0.24658066576520 0.45706550960945 18.998 2 F 0.86450662394730 0.74658066576520 0.04293449039055 18.998 3 F 0.86450662394730 0.75341933423480 0.54293449039055 18.998 4 F 0.13549337605270 0.25341933423480 0.95706550960945 18.998 5 F 0.77922964976904 0.31740675913141 0.53361828663817 18.998 6 F 0.22077035023096 0.81740675913141 0.96638171336183 18.998 7 F 0.22077035023096 0.68259324086859 0.46638171336183 18.998 8 F 0.77922964976904 0.18259324086859 0.03361828663817 18.998 9 F 0.28909662668109 0.02553277596424 0.21745510878800 18.998 10 F 0.71090337331891 0.52553277596424 0.28254489121200 18.998 11 F 0.71090337331891 0.97446722403576 0.78254489121200 18.998 12 F 0.28909662668109 0.47446722403576 0.71745510878800 18.998 13 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 14 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 15 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 16 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 17 Rb 0.75847100336592 0.53729120595132 0.74969956902507 85.468 18 Rb 0.24152899663408 0.03729120595132 0.75030043097493 85.468 19 Rb 0.24152899663408 0.46270879404867 0.25030043097493 85.468 20 Rb 0.75847100336592 0.96270879404868 0.24969956902507 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.703732541440955 0.000000000000000 0.000000000000000 b 0.000000000000000 12.909269840000000 0.000000000000000 c -6.326467813906010 0.000000000000000 9.017353658478498 Atomic positions (fractional): 1 F 0.06774668802635 0.12329033288260 0.45706550960945 18.998 > 1 2 F 0.56774668802635 0.12329033288260 0.45706550960945 18.998 > 1 3 F 0.06774668802635 0.62329033288260 0.45706550960945 18.998 > 1 4 F 0.56774668802635 0.62329033288260 0.45706550960945 18.998 > 1 5 F 0.43225331197365 0.37329033288260 0.04293449039055 18.998 > 5 6 F 0.93225331197365 0.37329033288260 0.04293449039055 18.998 > 5 7 F 0.43225331197365 0.87329033288260 0.04293449039055 18.998 > 5 8 F 0.93225331197365 0.87329033288260 0.04293449039055 18.998 > 5 9 F 0.43225331197365 0.37670966711740 0.54293449039055 18.998 > 9 10 F 0.93225331197365 0.37670966711740 0.54293449039055 18.998 > 9 11 F 0.43225331197365 0.87670966711740 0.54293449039055 18.998 > 9 12 F 0.93225331197365 0.87670966711740 0.54293449039055 18.998 > 9 13 F 0.06774668802635 0.12670966711740 0.95706550960945 18.998 > 13 14 F 0.56774668802635 0.12670966711740 0.95706550960945 18.998 > 13 15 F 0.06774668802635 0.62670966711740 0.95706550960945 18.998 > 13 16 F 0.56774668802635 0.62670966711740 0.95706550960945 18.998 > 13 17 F 0.38961482488452 0.15870337956571 0.53361828663817 18.998 > 17 18 F 0.88961482488452 0.15870337956571 0.53361828663817 18.998 > 17 19 F 0.38961482488452 0.65870337956571 0.53361828663817 18.998 > 17 20 F 0.88961482488452 0.65870337956571 0.53361828663817 18.998 > 17 21 F 0.11038517511548 0.40870337956571 0.96638171336183 18.998 > 21 22 F 0.61038517511548 0.40870337956571 0.96638171336183 18.998 > 21 23 F 0.11038517511548 0.90870337956571 0.96638171336183 18.998 > 21 24 F 0.61038517511548 0.90870337956571 0.96638171336183 18.998 > 21 25 F 0.11038517511548 0.34129662043429 0.46638171336183 18.998 > 25 26 F 0.61038517511548 0.34129662043429 0.46638171336183 18.998 > 25 27 F 0.11038517511548 0.84129662043429 0.46638171336183 18.998 > 25 28 F 0.61038517511548 0.84129662043429 0.46638171336183 18.998 > 25 29 F 0.38961482488452 0.09129662043429 0.03361828663817 18.998 > 29 30 F 0.88961482488452 0.09129662043429 0.03361828663817 18.998 > 29 31 F 0.38961482488452 0.59129662043429 0.03361828663817 18.998 > 29 32 F 0.88961482488452 0.59129662043429 0.03361828663817 18.998 > 29 33 F 0.14454831334055 0.01276638798212 0.21745510878800 18.998 > 33 34 F 0.64454831334055 0.01276638798212 0.21745510878800 18.998 > 33 35 F 0.14454831334055 0.51276638798212 0.21745510878800 18.998 > 33 36 F 0.64454831334055 0.51276638798212 0.21745510878800 18.998 > 33 37 F 0.35545168665945 0.26276638798212 0.28254489121200 18.998 > 37 38 F 0.85545168665945 0.26276638798212 0.28254489121200 18.998 > 37 39 F 0.35545168665945 0.76276638798212 0.28254489121200 18.998 > 37 40 F 0.85545168665945 0.76276638798212 0.28254489121200 18.998 > 37 41 F 0.35545168665945 0.48723361201788 0.78254489121200 18.998 > 41 42 F 0.85545168665945 0.48723361201788 0.78254489121200 18.998 > 41 43 F 0.35545168665945 0.98723361201788 0.78254489121200 18.998 > 41 44 F 0.85545168665945 0.98723361201788 0.78254489121200 18.998 > 41 45 F 0.14454831334055 0.23723361201788 0.71745510878800 18.998 > 45 46 F 0.64454831334055 0.23723361201788 0.71745510878800 18.998 > 45 47 F 0.14454831334055 0.73723361201788 0.71745510878800 18.998 > 45 48 F 0.64454831334055 0.73723361201788 0.71745510878800 18.998 > 45 49 K 0.25000000000000 0.00000000000000 0.50000000000000 39.098 > 49 50 K 0.75000000000000 0.00000000000000 0.50000000000000 39.098 > 49 51 K 0.25000000000000 0.50000000000000 0.50000000000000 39.098 > 49 52 K 0.75000000000000 0.50000000000000 0.50000000000000 39.098 > 49 53 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 53 54 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 53 55 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 53 56 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 53 57 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 57 58 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 57 59 Sc 0.00000000000000 0.50000000000000 0.00000000000000 44.956 > 57 60 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 57 61 Sc 0.00000000000000 0.25000000000000 0.50000000000000 44.956 > 61 62 Sc 0.50000000000000 0.25000000000000 0.50000000000000 44.956 > 61 63 Sc 0.00000000000000 0.75000000000000 0.50000000000000 44.956 > 61 64 Sc 0.50000000000000 0.75000000000000 0.50000000000000 44.956 > 61 65 Rb 0.37923550168296 0.26864560297566 0.74969956902507 85.468 > 65 66 Rb 0.87923550168296 0.26864560297566 0.74969956902507 85.468 > 65 67 Rb 0.37923550168296 0.76864560297566 0.74969956902507 85.468 > 65 68 Rb 0.87923550168296 0.76864560297566 0.74969956902507 85.468 > 65 69 Rb 0.12076449831704 0.01864560297566 0.75030043097493 85.468 > 69 70 Rb 0.62076449831704 0.01864560297566 0.75030043097493 85.468 > 69 71 Rb 0.12076449831704 0.51864560297566 0.75030043097493 85.468 > 69 72 Rb 0.62076449831704 0.51864560297566 0.75030043097493 85.468 > 69 73 Rb 0.12076449831704 0.23135439702434 0.25030043097493 85.468 > 73 74 Rb 0.62076449831704 0.23135439702434 0.25030043097493 85.468 > 73 75 Rb 0.12076449831704 0.73135439702434 0.25030043097493 85.468 > 73 76 Rb 0.62076449831704 0.73135439702434 0.25030043097493 85.468 > 73 77 Rb 0.37923550168296 0.48135439702434 0.24969956902507 85.468 > 77 78 Rb 0.87923550168296 0.48135439702434 0.24969956902507 85.468 > 77 79 Rb 0.37923550168296 0.98135439702434 0.24969956902507 85.468 > 77 80 Rb 0.87923550168296 0.98135439702434 0.24969956902507 85.468 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1431854 0.0000000 -0.0046235 0.0000000 2.1405496 0.0000000 -0.0046238 0.0000000 2.1399263 -------------------------- Born effective charges -------------------------- 1 F -1.1470893 0.3720771 0.1127919 0.3778442 -1.4483129 -0.1456529 0.1155912 -0.1462442 -0.9193245 2 F -1.1470893 -0.3720771 0.1127919 -0.3778442 -1.4483129 0.1456529 0.1155912 0.1462442 -0.9193245 3 F -1.1470893 0.3720771 0.1127919 0.3778442 -1.4483129 -0.1456529 0.1155912 -0.1462442 -0.9193245 4 F -1.1470893 -0.3720771 0.1127919 -0.3778442 -1.4483129 0.1456529 0.1155912 0.1462442 -0.9193245 5 F -1.4217016 -0.3863725 0.0875230 -0.3794217 -1.1790258 0.0625418 0.0964908 0.0655409 -0.9117945 6 F -1.4217016 0.3863725 0.0875230 0.3794217 -1.1790258 -0.0625418 0.0964908 -0.0655409 -0.9117945 7 F -1.4217016 -0.3863725 0.0875230 -0.3794217 -1.1790258 0.0625418 0.0964908 0.0655409 -0.9117945 8 F -1.4217016 0.3863725 0.0875230 0.3794217 -1.1790258 -0.0625418 0.0964908 -0.0655409 -0.9117945 9 F -0.9546643 0.0218370 -0.1889665 0.0234385 -0.8822766 -0.0864443 -0.1842714 -0.0806260 -1.6782616 10 F -0.9546643 -0.0218370 -0.1889665 -0.0234385 -0.8822766 0.0864443 -0.1842714 0.0806260 -1.6782616 11 F -0.9546643 0.0218370 -0.1889665 0.0234385 -0.8822766 -0.0864443 -0.1842714 -0.0806260 -1.6782616 12 F -0.9546643 -0.0218370 -0.1889665 -0.0234385 -0.8822766 0.0864443 -0.1842714 0.0806260 -1.6782616 13 K 1.2439983 0.0344020 0.0443594 -0.0108973 1.2544657 -0.0251056 -0.0253812 -0.0321661 1.2577964 14 K 1.2439983 -0.0344020 0.0443594 0.0108973 1.2544657 0.0251056 -0.0253812 0.0321661 1.2577964 15 Sc 3.3420485 0.0128253 -0.0272194 0.0339478 3.3286551 0.0738243 -0.0442868 0.0455127 3.3477784 16 Sc 3.3420485 -0.0128253 -0.0272194 -0.0339478 3.3286551 -0.0738243 -0.0442868 -0.0455127 3.3477784 17 Rb 1.2304318 -0.0427693 -0.0199183 -0.0446464 1.2180549 0.0173355 0.0070233 0.0310703 1.2065932 18 Rb 1.2304318 0.0427693 -0.0199183 0.0446464 1.2180549 -0.0173355 0.0070233 -0.0310703 1.2065932 19 Rb 1.2304318 -0.0427693 -0.0199183 -0.0446464 1.2180549 0.0173355 0.0070233 0.0310703 1.2065932 20 Rb 1.2304318 0.0427693 -0.0199183 0.0446464 1.2180549 -0.0173355 0.0070233 -0.0310703 1.2065932 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 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: 0.58, Number of G-points: 319, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 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 1.408 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.642 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 11.281 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.234 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.508 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 14.377 ( 0.000 0.000 0.000) 0.000 14.701 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 8.052 0.000 22.369) 23.775 0.467 ( 19.820 0.000 12.675) 23.527 0.701 ( 28.874 0.000 18.007) 34.029 1.421 ( 2.973 0.000 -5.209) 5.997 1.451 ( 1.206 0.000 -2.913) 3.153 1.558 ( 1.072 0.000 -3.557) 3.715 1.588 ( 0.553 0.000 -3.086) 3.135 1.834 ( -6.665 0.000 -5.455) 8.613 1.873 ( -1.357 0.000 -1.134) 1.768 1.888 ( -11.913 0.000 -0.556) 11.926 1.985 ( -3.040 0.000 4.268) 5.240 2.220 ( -3.207 0.000 -0.604) 3.263 2.265 ( -0.252 0.000 10.582) 10.585 2.375 ( 3.124 0.000 4.357) 5.361 2.561 ( 11.540 0.000 1.925) 11.699 2.653 ( -2.459 0.000 0.609) 2.533 2.657 ( -2.879 0.000 -2.738) 3.973 2.725 ( -6.432 0.000 2.146) 6.781 2.840 ( 0.534 0.000 5.168) 5.196 2.908 ( -2.265 0.000 -1.705) 2.835 3.101 ( -0.038 0.000 10.577) 10.577 3.108 ( -5.412 0.000 -6.525) 8.477 3.676 ( 0.876 0.000 0.450) 0.985 3.686 ( 3.572 0.000 0.932) 3.691 3.799 ( 3.759 0.000 -5.206) 6.421 3.952 ( 6.305 0.000 -0.737) 6.348 3.964 ( 2.799 0.000 4.545) 5.337 4.150 ( 3.402 0.000 1.319) 3.648 4.181 ( 2.182 0.000 1.742) 2.792 4.581 ( -2.405 0.000 3.228) 4.025 4.847 ( -2.925 0.000 -0.083) 2.926 4.871 ( 1.087 0.000 1.092) 1.540 5.045 ( 0.196 0.000 -1.744) 1.755 5.231 ( 0.258 0.000 -0.599) 0.652 5.385 ( 1.825 0.000 -8.266) 8.465 5.918 ( -7.627 0.000 1.601) 7.793 6.166 ( 0.735 0.000 3.574) 3.649 6.556 ( 1.169 0.000 0.889) 1.468 6.723 ( -1.872 0.000 -2.324) 2.984 6.821 ( 0.413 0.000 0.129) 0.432 6.892 ( 7.786 0.000 0.376) 7.795 7.242 ( -9.483 0.000 0.725) 9.510 7.392 ( 0.907 0.000 -0.127) 0.916 7.562 ( -4.523 0.000 4.358) 6.282 7.588 ( -2.075 0.000 -2.165) 2.999 7.809 ( 3.881 0.000 -1.659) 4.221 7.849 ( 6.580 0.000 -7.231) 9.777 8.276 ( -0.288 0.000 -3.720) 3.731 11.291 ( 0.707 0.000 0.737) 1.021 11.389 ( 0.429 0.000 -0.278) 0.512 11.471 ( -0.285 0.000 1.824) 1.846 12.264 ( -13.561 0.000 -8.943) 16.244 13.213 ( 2.228 0.000 -3.042) 3.771 13.241 ( 0.216 0.000 -0.407) 0.461 13.563 ( 0.980 0.000 -2.467) 2.654 13.604 ( 12.611 0.000 -6.453) 14.166 14.472 ( 1.476 0.000 16.110) 16.178 14.711 ( 0.540 0.000 0.940) 1.084 14.762 ( 0.162 0.000 -0.141) 0.215 15.781 ( -4.004 0.000 0.949) 4.115 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 9.014 0.000 15.559) 17.982 0.886 ( 16.137 0.000 10.495) 19.249 1.195 ( 8.587 0.000 9.472) 12.785 1.303 ( -5.179 0.000 -10.046) 11.303 1.406 ( 2.240 0.000 -5.402) 5.848 1.570 ( -5.854 0.000 0.724) 5.898 1.631 ( -2.519 0.000 -8.967) 9.314 1.650 ( 11.391 0.000 2.955) 11.768 1.816 ( -2.456 0.000 -3.730) 4.466 1.818 ( -1.324 0.000 3.569) 3.807 1.976 ( -5.620 0.000 5.425) 7.811 2.163 ( -3.524 0.000 0.767) 3.606 2.367 ( 0.915 0.000 5.019) 5.102 2.460 ( 1.332 0.000 1.271) 1.841 2.468 ( -5.090 0.000 -6.203) 8.024 2.613 ( -2.411 0.000 2.914) 3.782 2.710 ( 3.227 0.000 1.360) 3.502 2.759 ( 0.366 0.000 2.075) 2.107 2.855 ( 0.490 0.000 -2.961) 3.001 2.928 ( 5.874 0.000 1.990) 6.202 2.997 ( -3.867 0.000 3.588) 5.275 3.256 ( -0.418 0.000 16.639) 16.644 3.706 ( 2.915 0.000 -1.215) 3.158 3.736 ( 1.064 0.000 1.138) 1.558 3.847 ( 7.594 0.000 -2.148) 7.892 4.047 ( 7.271 0.000 -2.115) 7.572 4.060 ( 2.285 0.000 6.476) 6.867 4.219 ( 3.823 0.000 -0.199) 3.829 4.257 ( 4.094 0.000 2.448) 4.770 4.597 ( -0.292 0.000 4.089) 4.100 4.783 ( -4.171 0.000 -0.810) 4.249 4.890 ( -1.090 0.000 0.930) 1.433 5.038 ( 1.476 0.000 -0.779) 1.669 5.219 ( -0.097 0.000 -2.179) 2.181 5.309 ( -1.806 0.000 -5.154) 5.461 5.776 ( -10.234 0.000 -1.786) 10.388 6.220 ( 0.438 0.000 4.040) 4.064 6.556 ( -1.824 0.000 -2.608) 3.183 6.692 ( 0.342 0.000 1.218) 1.265 6.822 ( 0.075 0.000 -0.065) 0.100 7.060 ( 11.867 0.000 -0.051) 11.867 7.107 ( -7.331 0.000 1.134) 7.418 7.388 ( -1.928 0.000 1.011) 2.177 7.504 ( -3.735 0.000 -3.999) 5.472 7.529 ( -4.714 0.000 2.621) 5.394 7.839 ( 3.572 0.000 -4.401) 5.668 7.885 ( 4.809 0.000 -2.703) 5.516 8.206 ( -1.154 0.000 -6.833) 6.930 11.318 ( 1.176 0.000 1.238) 1.708 11.395 ( 0.753 0.000 -0.455) 0.880 11.494 ( -0.309 0.000 3.138) 3.154 11.942 ( -12.021 0.000 -10.045) 15.666 13.215 ( 0.960 0.000 -1.351) 1.657 13.228 ( -1.042 0.000 -0.375) 1.107 13.548 ( 0.622 0.000 -2.413) 2.491 13.659 ( 6.914 0.000 -12.288) 14.100 14.718 ( 2.428 0.000 2.898) 3.781 14.764 ( 0.174 0.000 -0.108) 0.205 14.792 ( 5.894 0.000 21.800) 22.583 15.709 ( -3.235 0.000 -3.335) 4.646 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -0.159 0.000 0.211) 0.265 1.046 ( -3.245 0.000 -6.059) 6.873 1.237 ( -0.884 0.000 -0.034) 0.885 1.272 ( 7.140 0.000 6.834) 9.884 1.384 ( -5.974 0.000 -5.992) 8.461 1.429 ( 1.474 0.000 0.711) 1.637 1.584 ( -3.849 0.000 1.888) 4.287 1.728 ( -0.753 0.000 -4.294) 4.360 1.810 ( 1.484 0.000 -0.316) 1.518 1.873 ( 3.531 0.000 0.780) 3.616 1.949 ( -4.813 0.000 8.294) 9.589 2.127 ( -3.337 0.000 2.133) 3.960 2.390 ( -1.621 0.000 -5.581) 5.812 2.424 ( -2.219 0.000 -4.077) 4.641 2.476 ( 5.951 0.000 6.660) 8.932 2.627 ( -4.021 0.000 6.474) 7.621 2.740 ( 1.282 0.000 -0.158) 1.291 2.794 ( -1.000 0.000 6.292) 6.371 2.837 ( 7.388 0.000 -6.117) 9.591 3.070 ( 11.736 0.000 -1.524) 11.834 3.124 ( 6.966 0.000 11.541) 13.481 3.417 ( -0.175 0.000 12.267) 12.268 3.718 ( 0.309 0.000 -2.202) 2.224 3.743 ( -1.537 0.000 1.053) 1.863 3.977 ( 9.846 0.000 -0.423) 9.855 4.125 ( 6.339 0.000 -3.353) 7.171 4.202 ( 1.647 0.000 13.533) 13.633 4.265 ( 2.998 0.000 -0.469) 3.034 4.348 ( 5.127 0.000 0.818) 5.192 4.636 ( 0.189 0.000 -1.950) 1.959 4.735 ( -2.631 0.000 6.818) 7.308 4.848 ( -3.395 0.000 -1.353) 3.655 5.074 ( -1.033 0.000 4.985) 5.091 5.175 ( 0.634 0.000 -6.127) 6.160 5.210 ( -4.207 0.000 -4.800) 6.383 5.563 ( -11.656 0.000 -4.830) 12.617 6.265 ( 0.245 0.000 3.133) 3.142 6.464 ( -3.502 0.000 -4.513) 5.712 6.713 ( -1.630 0.000 1.960) 2.549 6.826 ( 0.251 0.000 0.274) 0.372 7.097 ( 1.800 0.000 6.157) 6.415 7.224 ( 8.908 0.000 -2.167) 9.168 7.358 ( -3.094 0.000 0.978) 3.245 7.394 ( -0.908 0.000 -7.991) 8.043 7.484 ( -6.475 0.000 6.250) 9.000 7.812 ( 1.693 0.000 -8.461) 8.629 7.935 ( 3.846 0.000 -0.872) 3.944 8.096 ( -2.359 0.000 -7.280) 7.653 11.352 ( 1.253 0.000 1.234) 1.759 11.401 ( 0.593 0.000 -0.569) 0.821 11.528 ( -0.131 0.000 3.445) 3.447 11.702 ( -6.007 0.000 -6.820) 9.088 13.205 ( -1.317 0.000 -0.292) 1.349 13.213 ( 0.266 0.000 -0.597) 0.654 13.532 ( 0.657 0.000 -2.225) 2.320 13.574 ( 0.388 0.000 -11.899) 11.905 14.746 ( 0.655 0.000 0.654) 0.926 14.765 ( 0.058 0.000 0.086) 0.104 15.173 ( 8.883 0.000 20.411) 22.260 15.616 ( -2.664 0.000 -4.509) 5.237 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -11.959 0.000 -7.307) 14.014 0.904 ( -5.326 0.000 -4.866) 7.214 1.210 ( -0.549 0.000 -2.610) 2.667 1.257 ( 2.283 0.000 -3.913) 4.530 1.445 ( -5.022 0.000 5.121) 7.172 1.497 ( 2.728 0.000 3.612) 4.526 1.554 ( 1.315 0.000 2.911) 3.194 1.728 ( 4.102 0.000 -2.190) 4.650 1.783 ( -0.447 0.000 -2.340) 2.382 1.926 ( 2.689 0.000 -0.111) 2.692 1.975 ( -4.164 0.000 7.841) 8.878 2.103 ( -2.288 0.000 1.701) 2.851 2.276 ( -3.037 0.000 -6.215) 6.917 2.339 ( -2.160 0.000 -3.920) 4.476 2.606 ( 3.375 0.000 3.032) 4.537 2.623 ( -2.487 0.000 2.910) 3.828 2.760 ( 0.667 0.000 0.603) 0.899 2.768 ( -4.436 0.000 2.986) 5.348 3.030 ( 11.394 0.000 1.124) 11.449 3.255 ( 13.295 0.000 -1.550) 13.385 3.408 ( 11.057 0.000 11.080) 15.653 3.516 ( 1.002 0.000 4.598) 4.706 3.655 ( -5.687 0.000 -1.208) 5.814 3.722 ( -2.462 0.000 1.427) 2.846 4.111 ( 6.367 0.000 -0.353) 6.377 4.171 ( 4.412 0.000 -3.815) 5.832 4.312 ( 2.448 0.000 1.404) 2.822 4.367 ( 0.624 0.000 11.675) 11.691 4.459 ( 6.618 0.000 1.989) 6.911 4.560 ( -2.622 0.000 -4.700) 5.382 4.769 ( -4.460 0.000 -0.958) 4.561 4.844 ( 2.037 0.000 9.083) 9.309 5.060 ( -5.359 0.000 1.215) 5.495 5.066 ( -6.874 0.000 -3.768) 7.839 5.147 ( 2.948 0.000 -3.266) 4.400 5.331 ( -8.427 0.000 -7.062) 10.995 6.297 ( 0.334 0.000 1.674) 1.707 6.371 ( -2.372 0.000 -3.013) 3.834 6.699 ( -1.209 0.000 0.757) 1.427 6.835 ( 0.219 0.000 0.511) 0.556 7.237 ( -3.464 0.000 -0.456) 3.494 7.259 ( 4.414 0.000 10.549) 11.435 7.324 ( -1.348 0.000 0.991) 1.673 7.336 ( 5.290 0.000 -9.911) 11.235 7.493 ( -2.000 0.000 6.777) 7.066 7.697 ( -1.208 0.000 -12.939) 12.996 7.979 ( 2.203 0.000 -0.129) 2.207 7.996 ( -1.950 0.000 -3.663) 4.150 11.380 ( 0.825 0.000 0.726) 1.099 11.398 ( -0.034 0.000 -0.591) 0.592 11.560 ( 0.007 0.000 2.323) 2.323 11.601 ( -0.988 0.000 -2.466) 2.656 13.184 ( -0.866 0.000 -0.197) 0.888 13.211 ( -0.038 0.000 -0.188) 0.192 13.445 ( -1.731 0.000 -7.789) 7.979 13.521 ( 0.481 0.000 -1.373) 1.455 14.759 ( 0.288 0.000 0.412) 0.502 14.767 ( -0.027 0.000 0.184) 0.186 15.471 ( 5.498 0.000 11.526) 12.770 15.537 ( -1.541 0.000 -3.156) 3.512 ======================= Grid point 5 (6/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 0.000 0.000) 0.000 0.824 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.317 ( -0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.759 ( -0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 -0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.094 ( -0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.746 ( -0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 -0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.394 ( -0.000 0.000 0.000) 0.000 3.549 ( -0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 -0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.707 ( -0.000 0.000 -0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.355 ( -0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 -0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.522 ( -0.000 0.000 0.000) 0.000 7.538 ( -0.000 0.000 -0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 13.176 ( 0.000 0.000 0.000) 0.000 13.209 ( 0.000 0.000 0.000) 0.000 13.382 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 14.763 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 15.507 ( 0.000 0.000 0.000) 0.000 15.580 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 19.516 0.000) 19.516 0.486 ( 0.000 23.621 0.000) 23.621 0.727 ( 0.000 33.908 0.000) 33.908 1.411 ( 0.000 -0.158 0.000) 0.158 1.495 ( 0.000 4.074 0.000) 4.074 1.560 ( 0.000 -2.678 0.000) 2.678 1.604 ( 0.000 -0.556 0.000) 0.556 1.744 ( 0.000 -14.791 0.000) 14.791 1.927 ( 0.000 -5.328 0.000) 5.328 1.952 ( 0.000 -1.983 0.000) 1.983 1.983 ( 0.000 0.234 0.000) 0.234 2.131 ( 0.000 4.505 0.000) 4.505 2.234 ( 0.000 -2.828 0.000) 2.828 2.434 ( 0.000 4.213 0.000) 4.213 2.437 ( 0.000 5.779 0.000) 5.779 2.600 ( 0.000 1.870 0.000) 1.870 2.748 ( 0.000 -9.494 0.000) 9.494 2.811 ( 0.000 6.048 0.000) 6.048 2.816 ( 0.000 -3.984 0.000) 3.984 2.864 ( 0.000 14.277 0.000) 14.277 2.878 ( 0.000 -2.731 0.000) 2.731 3.333 ( 0.000 -1.566 0.000) 1.566 3.725 ( 0.000 7.695 0.000) 7.695 3.770 ( 0.000 -3.794 0.000) 3.794 3.813 ( 0.000 3.745 0.000) 3.745 3.921 ( 0.000 1.653 0.000) 1.653 4.014 ( 0.000 3.298 0.000) 3.298 4.139 ( 0.000 3.770 0.000) 3.770 4.267 ( 0.000 2.670 0.000) 2.670 4.449 ( 0.000 1.782 0.000) 1.782 4.836 ( 0.000 -1.954 0.000) 1.954 4.864 ( 0.000 -0.859 0.000) 0.859 5.045 ( 0.000 -0.166 0.000) 0.166 5.144 ( 0.000 0.788 0.000) 0.788 5.464 ( 0.000 -1.741 0.000) 1.741 5.921 ( 0.000 -10.803 0.000) 10.803 6.223 ( 0.000 6.096 0.000) 6.096 6.543 ( 0.000 0.281 0.000) 0.281 6.776 ( 0.000 1.778 0.000) 1.778 6.796 ( 0.000 -0.688 0.000) 0.688 6.845 ( 0.000 0.570 0.000) 0.570 7.204 ( 0.000 -11.046 0.000) 11.046 7.538 ( 0.000 0.812 0.000) 0.812 7.559 ( 0.000 0.407 0.000) 0.407 7.617 ( 0.000 -1.696 0.000) 1.696 7.716 ( 0.000 6.730 0.000) 6.730 7.752 ( 0.000 -2.830 0.000) 2.830 8.270 ( 0.000 -2.899 0.000) 2.899 11.306 ( 0.000 2.354 0.000) 2.354 11.386 ( 0.000 -0.064 0.000) 0.064 11.473 ( 0.000 0.986 0.000) 0.986 12.262 ( 0.000 -15.056 0.000) 15.056 13.263 ( 0.000 2.471 0.000) 2.471 13.432 ( 0.000 3.053 0.000) 3.053 13.462 ( 0.000 -1.863 0.000) 1.863 13.757 ( 0.000 19.595 0.000) 19.595 14.309 ( 0.000 -6.485 0.000) 6.485 14.703 ( 0.000 0.285 0.000) 0.285 14.764 ( 0.000 0.202 0.000) 0.202 15.710 ( 0.000 -3.427 0.000) 3.427 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 4.431 10.832 10.946) 16.024 0.535 ( 6.846 13.334 11.523) 18.906 1.074 ( 18.560 22.805 12.107) 31.799 1.417 ( 2.617 -0.446 -1.893) 3.261 1.457 ( -2.815 -1.135 -6.559) 7.227 1.523 ( -0.052 -0.637 -2.178) 2.270 1.597 ( 3.119 0.570 -2.178) 3.847 1.729 ( -1.892 -11.348 0.262) 11.507 1.851 ( -6.344 -0.498 -4.824) 7.986 1.886 ( -4.915 -2.388 -1.274) 5.611 1.985 ( -1.263 0.411 2.073) 2.462 2.186 ( -3.059 3.248 6.755) 8.096 2.268 ( 2.759 -1.460 2.767) 4.171 2.434 ( -1.774 -2.005 1.227) 2.944 2.492 ( 3.413 1.586 2.738) 4.654 2.648 ( 1.234 -5.757 1.965) 6.207 2.680 ( -5.624 1.019 -5.049) 7.626 2.691 ( -2.134 2.983 3.224) 4.883 2.862 ( 1.910 5.957 -0.255) 6.261 2.889 ( -3.406 -0.681 8.017) 8.737 3.024 ( 4.440 0.842 4.852) 6.630 3.276 ( -1.194 2.892 -3.937) 5.029 3.649 ( -1.860 -0.154 -2.783) 3.351 3.812 ( 1.503 4.412 -0.006) 4.662 3.824 ( 2.571 2.917 -2.991) 4.906 3.925 ( -0.339 0.959 3.131) 3.292 4.058 ( 7.136 6.039 1.415) 9.455 4.192 ( 3.931 4.227 0.544) 5.798 4.229 ( 1.177 4.396 0.577) 4.588 4.575 ( 1.076 -0.061 6.158) 6.252 4.828 ( -1.590 -2.111 -1.448) 3.014 4.859 ( 0.934 -1.007 0.276) 1.401 5.051 ( 0.588 -0.108 -1.284) 1.417 5.192 ( 5.051 -1.466 -0.854) 5.329 5.405 ( -2.464 0.206 -5.915) 6.411 5.770 ( -13.829 -11.320 1.422) 17.928 6.203 ( -1.398 3.675 2.735) 4.789 6.577 ( 1.555 0.862 2.723) 3.252 6.753 ( -1.175 -2.098 0.152) 2.409 6.818 ( -4.331 2.533 3.475) 6.103 6.879 ( 6.564 -0.030 -0.601) 6.591 7.190 ( -3.807 -7.797 -0.397) 8.686 7.365 ( -3.515 1.913 -5.328) 6.663 7.559 ( -2.609 -1.450 0.633) 3.051 7.609 ( -4.066 0.894 0.062) 4.163 7.794 ( 8.529 -2.478 -1.765) 9.055 7.859 ( 8.059 3.938 -2.046) 9.200 8.247 ( -0.312 -2.890 -3.658) 4.672 11.298 ( 0.178 1.468 -0.297) 1.509 11.400 ( 1.841 0.058 -0.831) 2.020 11.478 ( 1.030 1.397 -0.351) 1.770 12.141 ( -8.661 -10.222 -6.811) 15.030 13.265 ( 0.352 3.918 -0.026) 3.934 13.388 ( 0.696 7.159 -5.709) 9.183 13.559 ( 10.797 -2.494 -3.383) 11.586 13.700 ( -0.917 12.457 -7.322) 14.478 14.424 ( 0.919 -4.018 18.355) 18.812 14.710 ( 0.338 -0.003 0.750) 0.822 14.765 ( 0.017 0.156 -0.069) 0.171 15.684 ( -5.197 -6.726 2.523) 8.867 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 13.448 -5.220 14.821) 20.682 0.794 ( 7.938 5.873 10.880) 14.692 1.297 ( -4.877 -1.302 -9.320) 10.599 1.345 ( 1.054 8.723 0.770) 8.820 1.404 ( 1.278 -0.355 -2.276) 2.635 1.546 ( 3.190 -3.182 0.634) 4.550 1.625 ( -7.964 1.891 -8.176) 11.569 1.708 ( -2.101 -8.361 1.099) 8.691 1.720 ( 7.184 3.489 3.859) 8.870 1.832 ( -1.421 0.390 1.454) 2.070 1.979 ( -2.427 0.984 1.715) 3.130 2.183 ( -2.434 3.092 2.278) 4.547 2.363 ( 3.215 -7.397 -1.325) 8.174 2.403 ( -1.474 1.014 2.324) 2.933 2.479 ( -4.250 0.953 -5.209) 6.790 2.581 ( 0.795 -1.256 5.201) 5.409 2.683 ( -0.009 -2.845 2.945) 4.094 2.775 ( 0.177 2.775 7.839) 8.318 2.864 ( 1.779 3.425 -4.371) 5.831 2.920 ( -1.856 1.152 5.369) 5.796 3.107 ( 2.184 5.361 3.922) 6.992 3.297 ( 0.732 2.391 8.210) 8.582 3.632 ( 1.916 -3.118 -1.074) 3.814 3.830 ( 2.854 2.611 -2.728) 4.733 3.859 ( 2.168 3.197 2.387) 4.540 3.980 ( 2.260 -1.849 2.989) 4.178 4.172 ( 3.343 5.833 2.746) 7.262 4.262 ( 6.438 4.746 -1.602) 8.157 4.302 ( 4.200 4.496 1.853) 6.426 4.626 ( -0.890 1.107 5.878) 6.047 4.755 ( -3.776 -1.865 -3.400) 5.412 4.883 ( -0.154 -0.984 0.984) 1.400 5.044 ( 1.329 0.481 -1.833) 2.315 5.218 ( -1.467 -0.083 -2.596) 2.983 5.296 ( -1.771 -2.008 -4.809) 5.504 5.599 ( -10.382 -13.971 1.823) 17.502 6.231 ( -0.460 1.075 4.113) 4.276 6.620 ( -2.789 2.818 2.050) 4.463 6.701 ( -1.715 -0.413 -0.903) 1.982 6.813 ( 0.322 0.191 1.466) 1.513 6.997 ( 5.940 -2.145 0.484) 6.334 7.098 ( -3.284 -4.002 -0.788) 5.237 7.304 ( -0.612 -3.061 -2.070) 3.745 7.471 ( -2.391 -2.214 -5.341) 6.257 7.607 ( -1.797 4.543 3.760) 6.165 7.879 ( 6.003 0.826 -2.438) 6.532 7.928 ( 4.724 5.997 -3.857) 8.553 8.179 ( -1.039 -2.716 -6.600) 7.212 11.309 ( 0.969 0.068 0.504) 1.094 11.422 ( 1.446 0.988 0.194) 1.762 11.497 ( 1.368 1.494 0.239) 2.040 11.911 ( -7.983 -2.501 -8.663) 12.043 13.265 ( -0.315 4.807 -0.255) 4.824 13.344 ( -0.030 8.028 -3.430) 8.731 13.600 ( -0.849 3.823 -7.252) 8.241 13.652 ( 7.242 1.346 -6.860) 10.066 14.690 ( 3.485 -4.057 12.841) 13.910 14.745 ( 1.277 -2.050 8.694) 9.023 14.767 ( 0.567 -0.557 2.868) 2.977 15.606 ( -5.244 -9.202 -1.362) 10.679 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -2.043 -0.045 -2.440) 3.183 1.086 ( 3.403 0.981 4.408) 5.655 1.159 ( 0.919 -5.318 2.165) 5.814 1.281 ( -0.431 2.139 -3.033) 3.736 1.379 ( -5.549 0.370 -6.140) 8.284 1.439 ( -0.835 0.699 -0.873) 1.396 1.572 ( -2.423 -1.380 2.180) 3.539 1.706 ( 1.139 -5.820 0.990) 6.012 1.799 ( -1.706 -0.881 0.538) 1.994 1.831 ( -1.070 -1.074 0.792) 1.711 1.972 ( 0.284 1.418 0.616) 1.571 2.169 ( -3.933 3.944 3.863) 6.778 2.302 ( -1.243 -7.032 -4.514) 8.448 2.440 ( -0.085 0.645 -2.622) 2.702 2.510 ( 4.403 2.683 4.681) 6.965 2.627 ( 1.706 -1.958 2.644) 3.706 2.716 ( -1.392 2.469 4.653) 5.448 2.856 ( -0.457 4.145 7.229) 8.345 2.878 ( 5.833 1.929 -4.458) 7.591 2.985 ( 7.798 -2.788 2.969) 8.798 3.233 ( 6.956 6.319 5.608) 10.943 3.416 ( 0.792 -0.615 8.937) 8.993 3.657 ( 0.574 -3.141 0.701) 3.269 3.814 ( -2.264 3.733 -1.514) 4.621 3.944 ( 5.872 -2.447 0.760) 6.406 4.061 ( 2.993 -3.399 3.175) 5.531 4.243 ( -1.014 2.276 7.178) 7.598 4.341 ( 5.758 6.573 -0.649) 8.763 4.389 ( 4.287 3.559 1.897) 5.886 4.636 ( -6.658 -6.116 -1.153) 9.114 4.707 ( 2.918 2.493 3.375) 5.111 4.867 ( -0.998 0.607 -1.235) 1.700 5.023 ( -8.458 -5.079 2.640) 10.213 5.124 ( 0.332 -3.371 -4.103) 5.320 5.244 ( -0.317 2.080 -4.468) 4.939 5.469 ( -6.558 -7.122 -1.999) 9.886 6.268 ( -0.565 0.089 3.734) 3.778 6.511 ( -6.207 2.482 -3.910) 7.744 6.705 ( -1.660 -0.749 2.534) 3.121 6.841 ( 0.564 1.705 0.287) 1.819 7.027 ( 1.007 -4.518 3.089) 5.565 7.143 ( 2.702 -9.350 1.524) 9.851 7.292 ( 2.322 0.529 -1.718) 2.937 7.392 ( 2.165 0.155 -8.172) 8.456 7.618 ( -2.844 7.782 5.167) 9.764 7.895 ( 1.243 6.140 -8.260) 10.367 7.957 ( 4.239 2.423 -1.083) 5.001 8.083 ( -1.501 -1.032 -6.138) 6.402 11.338 ( 1.629 -0.192 0.948) 1.894 11.448 ( 0.639 2.488 1.190) 2.831 11.523 ( 1.501 0.975 0.453) 1.846 11.729 ( -3.887 2.680 -6.897) 8.358 13.251 ( -0.779 4.031 -0.227) 4.112 13.309 ( -0.813 8.353 -1.558) 8.536 13.522 ( 0.316 -0.421 -6.278) 6.300 13.636 ( 0.613 6.223 -6.246) 8.838 14.737 ( 0.618 -0.891 0.735) 1.310 14.761 ( -0.033 -0.453 0.112) 0.467 15.061 ( 6.384 -11.036 19.678) 23.448 15.501 ( -4.259 -11.018 -3.413) 12.295 ======================= Grid point 15 (11/160) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -9.909 -0.474 -6.411) 11.811 0.922 ( -8.397 1.873 -7.137) 11.178 1.237 ( -0.115 2.829 -3.015) 4.136 1.292 ( 2.061 3.479 -2.356) 4.680 1.352 ( 2.900 -8.361 6.801) 11.161 1.475 ( 0.721 -2.123 2.307) 3.217 1.538 ( -3.286 0.582 2.380) 4.099 1.719 ( -1.903 -6.282 -0.408) 6.577 1.796 ( 4.120 3.419 -0.437) 5.372 1.854 ( 1.342 -5.275 2.720) 6.085 1.973 ( -0.756 -0.517 -0.077) 0.919 2.138 ( -4.447 1.711 2.830) 5.542 2.254 ( 0.439 -1.614 -3.245) 3.650 2.348 ( -3.591 1.471 -4.992) 6.323 2.586 ( 0.186 1.789 3.088) 3.574 2.698 ( 3.914 2.416 -1.130) 4.736 2.729 ( -3.458 1.597 4.836) 6.156 2.873 ( -1.020 5.739 2.176) 6.222 3.019 ( 10.292 -1.140 1.246) 10.429 3.207 ( 14.117 -4.385 1.223) 14.833 3.416 ( 6.230 0.498 6.491) 9.011 3.505 ( 1.672 -1.207 3.612) 4.159 3.651 ( -3.875 -0.493 2.093) 4.432 3.737 ( -4.570 0.873 -0.441) 4.674 4.039 ( 6.684 -5.961 -2.401) 9.272 4.111 ( -0.301 -5.618 1.573) 5.842 4.278 ( -1.813 0.827 3.021) 3.619 4.443 ( 2.776 3.533 5.329) 6.971 4.493 ( 3.338 2.466 5.017) 6.511 4.531 ( -3.092 -4.031 -0.771) 5.139 4.744 ( -1.087 -1.038 -1.589) 2.187 4.822 ( -5.307 -8.969 -4.286) 11.268 4.922 ( -2.785 0.007 7.807) 8.289 5.137 ( 3.068 -0.376 -2.534) 3.997 5.179 ( -1.900 4.458 -2.915) 5.656 5.339 ( -4.819 0.561 -5.069) 7.017 6.293 ( -0.584 -0.720 2.304) 2.483 6.386 ( -3.741 0.879 -3.432) 5.153 6.702 ( -1.127 0.429 1.397) 1.846 6.838 ( -0.356 0.361 0.001) 0.507 7.095 ( 0.530 -7.557 3.782) 8.467 7.165 ( -0.480 -9.621 0.795) 9.666 7.346 ( 5.857 1.661 -6.257) 8.730 7.364 ( 2.544 3.778 1.968) 4.962 7.638 ( -1.199 9.016 4.008) 9.940 7.767 ( -2.638 5.594 -10.820) 12.463 8.007 ( 2.705 2.676 -1.571) 4.117 8.015 ( -0.995 2.342 -1.536) 2.972 11.382 ( 2.256 1.309 1.454) 2.986 11.460 ( -0.873 4.125 0.953) 4.323 11.553 ( 1.646 0.567 0.284) 1.764 11.632 ( -1.287 3.067 -3.892) 5.119 13.245 ( 0.031 3.459 0.432) 3.486 13.285 ( -0.808 8.861 -0.523) 8.913 13.461 ( -0.345 1.450 -5.200) 5.409 13.569 ( -1.422 5.461 -3.068) 6.423 14.751 ( 0.281 -0.824 0.450) 0.980 14.763 ( 0.003 -0.480 0.196) 0.519 15.321 ( 4.299 -14.879 10.846) 18.908 15.411 ( -2.467 -12.503 -2.567) 13.000 ======================= Grid point 16 (12/160) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 2.632 -0.000) 2.632 0.800 ( 0.000 -1.758 0.000) 1.758 1.222 ( 0.000 3.150 0.000) 3.150 1.331 ( -0.000 1.251 0.000) 1.251 1.362 ( 0.000 0.877 -0.000) 0.877 1.492 ( 0.000 -6.416 0.000) 6.416 1.544 ( 0.000 -0.288 -0.000) 0.288 1.696 ( -0.000 -6.486 0.000) 6.486 1.827 ( 0.000 1.096 -0.000) 1.096 1.932 ( 0.000 -0.514 0.000) 0.514 1.936 ( -0.000 -3.486 0.000) 3.486 2.114 ( 0.000 0.129 0.000) 0.129 2.231 ( 0.000 2.519 0.000) 2.519 2.287 ( 0.000 0.235 0.000) 0.235 2.605 ( 0.000 2.119 0.000) 2.119 2.714 ( 0.000 2.735 -0.000) 2.735 2.731 ( -0.000 1.477 0.000) 1.477 2.880 ( -0.000 6.908 -0.000) 6.908 3.126 ( 0.000 -0.775 0.000) 0.775 3.353 ( -0.000 -4.332 0.000) 4.332 3.535 ( 0.000 -3.134 -0.000) 3.134 3.537 ( -0.000 -1.907 0.000) 1.907 3.570 ( 0.000 -1.855 0.000) 1.855 3.717 ( -0.000 0.227 -0.000) 0.227 4.083 ( 0.000 -8.054 -0.000) 8.054 4.104 ( -0.000 -6.727 0.000) 6.727 4.278 ( 0.000 -0.643 0.000) 0.643 4.479 ( 0.000 -2.032 0.000) 2.032 4.521 ( 0.000 3.587 -0.000) 3.587 4.585 ( 0.000 1.374 0.000) 1.374 4.701 ( -0.000 -2.298 0.000) 2.298 4.724 ( 0.000 -9.505 -0.000) 9.505 4.984 ( 0.000 -1.530 -0.000) 1.530 5.113 ( -0.000 5.397 0.000) 5.397 5.180 ( 0.000 1.870 -0.000) 1.870 5.246 ( 0.000 4.310 0.000) 4.310 6.302 ( 0.000 -1.018 0.000) 1.018 6.334 ( 0.000 -0.085 0.000) 0.085 6.701 ( 0.000 0.740 0.000) 0.740 6.836 ( 0.000 -0.286 0.000) 0.286 7.115 ( 0.000 -6.570 0.000) 6.570 7.165 ( -0.000 -8.713 0.000) 8.713 7.336 ( 0.000 1.455 0.000) 1.455 7.456 ( 0.000 0.419 0.000) 0.419 7.647 ( 0.000 8.896 -0.000) 8.896 7.654 ( -0.000 8.837 0.000) 8.837 7.989 ( 0.000 2.992 0.000) 2.992 8.029 ( 0.000 3.153 -0.000) 3.153 11.426 ( 0.000 3.043 0.000) 3.043 11.442 ( -0.000 4.548 0.000) 4.548 11.575 ( 0.000 0.968 0.000) 0.968 11.594 ( 0.000 1.288 0.000) 1.288 13.253 ( 0.000 3.819 0.000) 3.819 13.275 ( 0.000 9.281 -0.000) 9.281 13.418 ( 0.000 3.773 0.000) 3.773 13.541 ( 0.000 2.985 0.000) 2.985 14.755 ( 0.000 -0.796 0.000) 0.796 14.764 ( 0.000 -0.422 0.000) 0.422 15.373 ( 0.000 -13.343 0.000) 13.343 15.421 ( 0.000 -15.957 0.000) 15.957 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 16.917 0.000) 16.917 0.877 ( 0.000 15.379 0.000) 15.379 1.202 ( 0.000 11.874 0.000) 11.874 1.408 ( 0.000 0.308 0.000) 0.308 1.476 ( 0.000 -7.619 0.000) 7.619 1.510 ( 0.000 -1.971 0.000) 1.971 1.585 ( 0.000 4.610 0.000) 4.610 1.609 ( 0.000 -1.100 0.000) 1.100 1.770 ( 0.000 -8.356 0.000) 8.356 1.889 ( 0.000 -4.514 0.000) 4.514 2.012 ( 0.000 1.258 0.000) 1.258 2.128 ( 0.000 -7.421 0.000) 7.421 2.276 ( 0.000 6.483 0.000) 6.483 2.459 ( 0.000 0.732 0.000) 0.732 2.488 ( 0.000 2.380 0.000) 2.380 2.638 ( 0.000 -0.988 0.000) 0.988 2.726 ( 0.000 8.126 0.000) 8.126 2.759 ( 0.000 -3.102 0.000) 3.102 2.849 ( 0.000 2.306 0.000) 2.306 2.940 ( 0.000 6.718 0.000) 6.718 3.175 ( 0.000 16.543 0.000) 16.543 3.277 ( 0.000 -3.483 0.000) 3.483 3.689 ( 0.000 -4.594 0.000) 4.594 3.850 ( 0.000 2.341 0.000) 2.341 3.891 ( 0.000 5.716 0.000) 5.716 3.966 ( 0.000 3.715 0.000) 3.715 4.123 ( 0.000 7.895 0.000) 7.895 4.244 ( 0.000 6.720 0.000) 6.720 4.354 ( 0.000 6.203 0.000) 6.203 4.487 ( 0.000 2.167 0.000) 2.167 4.779 ( 0.000 -3.858 0.000) 3.858 4.822 ( 0.000 -3.829 0.000) 3.829 5.029 ( 0.000 -1.846 0.000) 1.846 5.168 ( 0.000 1.712 0.000) 1.712 5.414 ( 0.000 -3.392 0.000) 3.392 5.656 ( 0.000 -16.427 0.000) 16.427 6.352 ( 0.000 6.979 0.000) 6.979 6.549 ( 0.000 0.391 0.000) 0.391 6.768 ( 0.000 -2.069 0.000) 2.069 6.789 ( 0.000 -1.704 0.000) 1.704 6.866 ( 0.000 1.385 0.000) 1.385 7.025 ( 0.000 -5.839 0.000) 5.839 7.508 ( 0.000 -3.730 0.000) 3.730 7.558 ( 0.000 -1.343 0.000) 1.343 7.635 ( 0.000 3.954 0.000) 3.954 7.698 ( 0.000 -1.552 0.000) 1.552 7.818 ( 0.000 3.369 0.000) 3.369 8.188 ( 0.000 -5.461 0.000) 5.461 11.361 ( 0.000 3.011 0.000) 3.011 11.390 ( 0.000 0.576 0.000) 0.576 11.501 ( 0.000 2.018 0.000) 2.018 11.982 ( 0.000 -12.936 0.000) 12.936 13.283 ( 0.000 0.336 0.000) 0.336 13.414 ( 0.000 -2.860 0.000) 2.860 13.495 ( 0.000 3.771 0.000) 3.771 14.139 ( 0.000 -10.452 0.000) 10.452 14.226 ( 0.000 26.095 0.000) 26.095 14.713 ( 0.000 0.755 0.000) 0.755 14.766 ( 0.000 -0.117 0.000) 0.117 15.606 ( 0.000 -7.360 0.000) 7.360 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -4.535 13.584 -0.717) 14.339 0.823 ( 1.072 15.108 4.517) 15.805 1.322 ( 4.622 -1.130 1.597) 5.019 1.399 ( -1.075 -1.980 -3.427) 4.101 1.433 ( -1.637 1.817 0.467) 2.490 1.491 ( 0.716 -3.542 -3.271) 4.874 1.576 ( -1.692 -2.087 -1.180) 2.934 1.644 ( 6.042 3.744 1.798) 7.332 1.789 ( 0.271 -4.977 2.066) 5.396 1.813 ( -4.975 -3.723 -3.829) 7.299 2.008 ( -0.785 -0.172 0.445) 0.919 2.193 ( 3.529 -5.146 1.956) 6.539 2.285 ( -3.264 4.056 2.988) 6.003 2.419 ( -0.326 3.101 1.032) 3.285 2.533 ( -1.107 2.789 5.170) 5.977 2.620 ( -2.806 -0.183 -0.754) 2.911 2.704 ( -4.951 2.518 0.147) 5.557 2.796 ( 3.756 6.076 3.444) 7.930 2.829 ( -4.071 0.912 6.482) 7.709 2.979 ( 1.984 4.436 0.461) 4.882 3.165 ( 0.830 9.928 -1.054) 10.018 3.278 ( -0.216 -0.132 0.962) 0.995 3.634 ( -1.615 -1.738 -3.723) 4.415 3.855 ( -1.086 0.685 1.498) 1.973 3.903 ( 0.038 5.338 0.873) 5.409 3.958 ( -2.042 1.978 1.363) 3.153 4.188 ( 8.769 7.105 0.755) 11.311 4.297 ( 3.565 5.771 -0.567) 6.807 4.340 ( 2.064 6.824 0.526) 7.149 4.578 ( -0.541 -0.154 6.830) 6.853 4.765 ( 0.659 -3.660 -1.065) 3.868 4.828 ( 1.688 -2.644 -1.452) 3.457 5.020 ( -0.663 -3.440 -0.343) 3.520 5.193 ( 4.033 1.165 -1.445) 4.440 5.376 ( -2.965 -3.404 -4.996) 6.733 5.530 ( -14.432 -12.829 2.630) 19.488 6.293 ( -4.919 5.200 0.811) 7.204 6.583 ( 0.771 -0.426 3.005) 3.132 6.698 ( -3.033 -2.580 -0.830) 4.068 6.847 ( -3.118 1.119 2.946) 4.433 6.869 ( 6.284 -2.742 -1.764) 7.079 7.059 ( -0.674 -3.778 3.744) 5.361 7.417 ( -7.520 1.201 -3.538) 8.397 7.547 ( 1.355 2.417 -5.338) 6.014 7.587 ( -0.063 -3.094 0.881) 3.218 7.785 ( 7.741 1.538 0.873) 7.941 7.929 ( 10.135 2.491 -1.911) 10.611 8.166 ( -0.397 -5.443 -3.483) 6.474 11.340 ( -0.887 2.429 -1.106) 2.813 11.395 ( 1.045 -0.230 -0.743) 1.302 11.524 ( 3.744 3.240 -1.688) 5.232 11.946 ( -1.213 -9.016 -4.230) 10.033 13.310 ( 2.762 1.119 -0.037) 2.981 13.481 ( 4.686 2.020 -5.324) 7.375 13.497 ( 7.032 -1.943 -0.768) 7.336 13.930 ( -3.633 4.770 -15.491) 16.611 14.417 ( -3.289 7.799 23.081) 24.584 14.713 ( -0.210 0.320 0.441) 0.583 14.765 ( -0.122 -0.120 -0.051) 0.179 15.546 ( -8.905 -8.064 2.588) 12.289 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 3.973 2.563 8.165) 9.435 0.933 ( 3.633 7.609 4.307) 9.468 1.266 ( -2.995 -0.371 -5.596) 6.358 1.386 ( 0.335 -0.860 -2.384) 2.557 1.442 ( 3.510 -6.386 -0.006) 7.287 1.475 ( -0.299 2.622 -3.862) 4.677 1.528 ( -2.897 -7.855 1.860) 8.576 1.624 ( -7.448 -1.864 -6.388) 9.988 1.779 ( 0.268 0.763 3.448) 3.541 1.844 ( 3.392 1.123 1.208) 3.772 1.995 ( -0.963 -1.338 -0.533) 1.733 2.192 ( -1.398 -5.719 -4.106) 7.178 2.287 ( -2.468 4.321 6.009) 7.802 2.463 ( -0.370 3.339 1.443) 3.656 2.491 ( -3.572 0.925 1.257) 3.898 2.578 ( -1.594 2.332 4.281) 5.129 2.697 ( -1.511 4.854 4.848) 7.025 2.874 ( 2.047 4.808 3.129) 6.091 2.884 ( -2.689 -1.335 9.528) 9.989 2.987 ( 0.991 7.733 -1.402) 7.922 3.209 ( 5.627 4.432 0.206) 7.166 3.312 ( -0.353 0.007 6.065) 6.076 3.596 ( -0.060 -0.836 -0.478) 0.965 3.854 ( 1.254 1.519 -1.631) 2.558 3.914 ( -0.008 1.117 3.309) 3.492 3.974 ( -1.508 0.511 3.727) 4.052 4.279 ( 0.224 5.415 2.213) 5.854 4.378 ( 8.623 5.812 -2.071) 10.603 4.412 ( 3.465 6.216 1.294) 7.233 4.548 ( -8.150 -8.446 3.752) 12.322 4.754 ( 0.023 -0.881 -3.555) 3.663 4.853 ( 0.666 -1.454 -0.234) 1.616 5.023 ( 2.091 -5.040 -0.024) 5.456 5.160 ( -14.976 -5.414 -1.908) 16.039 5.251 ( 5.095 0.372 -2.235) 5.576 5.410 ( -4.787 -4.616 1.521) 6.822 6.258 ( -3.041 1.571 3.639) 4.996 6.584 ( -6.015 -5.906 2.645) 8.835 6.669 ( -0.349 -0.981 1.255) 1.631 6.857 ( 0.963 3.424 1.937) 4.050 6.935 ( 3.212 -6.136 -0.545) 6.947 7.058 ( -1.447 1.895 -0.643) 2.470 7.305 ( -0.395 1.968 -3.403) 3.951 7.464 ( 1.161 1.883 -7.992) 8.293 7.664 ( 2.103 1.480 4.441) 5.132 7.905 ( 8.004 2.331 -1.680) 8.504 8.035 ( 6.133 3.954 -4.179) 8.409 8.104 ( 0.001 -4.857 -5.696) 7.486 11.327 ( 0.405 1.438 -0.335) 1.531 11.411 ( 0.810 -1.293 1.145) 1.908 11.571 ( 5.676 5.417 -3.691) 8.671 11.870 ( -0.187 -1.502 -6.699) 6.868 13.342 ( 1.468 3.043 -1.199) 3.585 13.471 ( 1.641 4.666 -2.785) 5.677 13.583 ( 5.501 -2.645 -9.558) 11.341 13.782 ( 2.266 6.107 -5.113) 8.281 14.595 ( -5.189 -2.502 21.188) 21.958 14.724 ( 0.018 -0.491 2.387) 2.437 14.760 ( -0.400 -0.337 -0.037) 0.524 15.404 ( -11.171 -10.938 1.211) 15.681 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -5.276 -4.128 -1.970) 6.983 0.979 ( 7.729 -2.885 5.238) 9.773 1.204 ( -2.255 4.864 -3.420) 6.359 1.339 ( -1.130 2.671 -4.108) 5.028 1.397 ( -2.453 0.253 -1.886) 3.105 1.447 ( -2.329 -0.799 -2.268) 3.347 1.499 ( -0.912 -5.678 1.288) 5.894 1.578 ( 1.774 -3.652 6.035) 7.274 1.757 ( -2.623 -2.843 -1.298) 4.080 1.859 ( -1.757 2.972 -1.115) 3.628 1.968 ( -0.054 -2.274 -2.087) 3.087 2.130 ( -1.151 -7.634 -2.494) 8.113 2.283 ( -3.256 5.339 3.865) 7.352 2.457 ( 0.569 0.490 -1.373) 1.565 2.572 ( 2.218 3.835 4.985) 6.669 2.611 ( 3.279 1.124 3.501) 4.927 2.732 ( -1.735 -0.111 5.710) 5.969 2.921 ( -0.336 -1.216 3.191) 3.432 2.927 ( 0.939 5.145 3.106) 6.082 3.016 ( 3.171 6.189 0.217) 6.957 3.342 ( 6.584 4.408 3.873) 8.820 3.382 ( 0.700 -2.768 5.689) 6.366 3.610 ( -0.161 -1.474 2.555) 2.954 3.854 ( -1.125 0.691 -2.756) 3.056 3.914 ( -1.990 -1.234 1.980) 3.067 4.010 ( -0.814 -2.100 4.499) 5.031 4.304 ( -2.837 2.841 6.967) 8.041 4.415 ( -5.159 -6.347 -0.356) 8.187 4.449 ( 1.122 3.541 2.762) 4.629 4.508 ( 1.923 0.141 0.506) 1.994 4.682 ( -5.222 -9.789 -2.456) 11.363 4.819 ( -1.705 -1.225 -1.921) 2.846 4.991 ( -5.014 3.165 1.408) 6.094 5.080 ( 3.890 -0.886 0.389) 4.009 5.280 ( 2.296 1.535 -3.832) 4.723 5.370 ( -0.773 -2.926 -1.080) 3.214 6.260 ( -2.540 -0.919 4.086) 4.898 6.484 ( -6.992 -4.795 -0.609) 8.500 6.690 ( -1.189 -0.813 4.432) 4.660 6.876 ( -2.179 -0.208 1.012) 2.412 6.966 ( 1.572 -2.640 0.720) 3.156 7.026 ( 2.163 1.016 -4.787) 5.350 7.328 ( 6.105 2.828 -2.381) 7.137 7.418 ( 3.966 2.384 -7.828) 9.093 7.735 ( 0.049 4.216 5.336) 6.801 7.955 ( -0.854 -0.797 -6.886) 6.984 8.018 ( 5.437 3.111 -2.840) 6.878 8.101 ( 3.265 3.667 -3.942) 6.296 11.351 ( 1.929 1.296 1.500) 2.766 11.445 ( 0.267 -1.387 3.287) 3.578 11.617 ( 6.040 7.409 -4.670) 10.639 11.798 ( 0.950 4.113 -7.702) 8.783 13.327 ( -0.268 3.696 -2.129) 4.273 13.470 ( 0.390 6.463 -0.876) 6.533 13.527 ( 1.078 1.456 -4.710) 5.046 13.796 ( 2.229 8.710 -4.623) 10.110 14.700 ( -0.358 -4.821 5.013) 6.964 14.748 ( -0.660 -0.998 0.726) 1.400 14.804 ( -1.485 -11.396 13.535) 17.755 15.236 ( -9.598 -15.094 -1.333) 17.936 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -5.715 0.523 -5.370) 7.859 0.965 ( -10.458 1.718 -8.802) 13.776 1.180 ( 3.760 -6.580 3.763) 8.461 1.308 ( 1.705 1.787 -2.583) 3.574 1.388 ( 1.118 5.915 0.721) 6.063 1.470 ( -0.113 1.287 3.175) 3.427 1.487 ( -1.775 -5.021 2.319) 5.808 1.629 ( -3.212 -1.678 2.480) 4.391 1.748 ( 3.064 -5.217 1.333) 6.195 1.839 ( 2.129 1.684 -1.335) 3.025 1.946 ( -0.595 -2.506 -1.479) 2.970 2.088 ( -2.173 -5.499 -0.316) 5.921 2.293 ( 0.066 4.459 1.494) 4.704 2.391 ( -3.716 2.942 -3.521) 5.904 2.654 ( 2.145 3.763 4.078) 5.949 2.725 ( 6.722 0.119 -3.844) 7.744 2.760 ( -2.540 1.493 6.712) 7.330 2.953 ( 2.921 1.000 -0.069) 3.088 3.004 ( 3.130 0.900 3.501) 4.781 3.115 ( 8.794 -4.120 1.847) 9.885 3.388 ( -4.159 -4.666 3.065) 6.961 3.474 ( 1.220 -2.496 2.692) 3.868 3.633 ( -2.082 -1.162 2.915) 3.766 3.730 ( -7.002 -1.615 -2.630) 7.652 3.936 ( 2.207 -4.809 -1.349) 5.461 3.999 ( -3.443 -4.297 2.035) 5.870 4.338 ( -2.412 3.710 1.865) 4.802 4.370 ( -2.446 -6.918 8.286) 11.068 4.497 ( -1.590 -2.759 1.312) 3.444 4.529 ( -1.080 -2.710 4.949) 5.745 4.612 ( 0.690 -1.780 -0.036) 1.909 4.766 ( -0.829 0.589 -5.052) 5.154 4.982 ( 0.466 4.178 1.200) 4.372 5.146 ( 3.566 1.239 0.824) 3.864 5.250 ( -0.062 2.905 -3.670) 4.681 5.345 ( -0.397 -0.045 -2.485) 2.517 6.262 ( -1.874 -2.251 2.724) 4.000 6.375 ( -4.506 -2.378 -1.885) 5.432 6.723 ( -1.002 1.617 3.578) 4.053 6.840 ( -1.912 -0.755 0.686) 2.168 6.991 ( 1.435 -2.584 -0.832) 3.071 7.024 ( 1.472 -4.239 -1.507) 4.733 7.374 ( 4.746 1.357 -7.304) 8.816 7.431 ( 3.765 2.644 -0.817) 4.673 7.780 ( -0.625 5.258 3.329) 6.255 7.857 ( -1.662 3.363 -3.998) 5.482 8.077 ( 4.429 4.311 -3.073) 6.902 8.091 ( 0.206 5.057 -1.366) 5.243 11.417 ( 2.778 1.834 3.118) 4.561 11.485 ( -0.263 -0.541 3.738) 3.786 11.655 ( 4.344 8.758 -3.705) 10.455 11.722 ( -0.086 6.083 -7.226) 9.447 13.316 ( 0.665 3.947 -0.029) 4.003 13.472 ( 1.420 8.020 -0.790) 8.183 13.518 ( 0.159 5.830 0.345) 5.843 13.727 ( -3.393 10.030 -4.873) 11.656 14.728 ( 0.438 -1.720 0.807) 1.950 14.748 ( 0.068 -1.051 0.285) 1.091 14.934 ( 0.180 -23.474 9.640) 25.377 15.091 ( -6.002 -19.299 -1.951) 20.305 ======================= Grid point 27 (18/160) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 5.466 -0.000) 5.466 0.786 ( 0.000 0.866 0.000) 0.866 1.215 ( 0.000 -6.016 0.000) 6.016 1.338 ( 0.000 -2.071 -0.000) 2.071 1.380 ( 0.000 5.095 0.000) 5.095 1.492 ( -0.000 4.130 0.000) 4.130 1.497 ( 0.000 -3.331 -0.000) 3.331 1.602 ( 0.000 -1.640 0.000) 1.640 1.790 ( 0.000 -2.638 -0.000) 2.638 1.874 ( 0.000 -3.045 0.000) 3.045 1.922 ( -0.000 -1.445 0.000) 1.445 2.068 ( 0.000 -4.327 0.000) 4.327 2.293 ( 0.000 3.510 0.000) 3.510 2.336 ( 0.000 4.575 0.000) 4.575 2.703 ( 0.000 6.157 0.000) 6.157 2.740 ( 0.000 0.892 -0.000) 0.892 2.778 ( -0.000 2.423 0.000) 2.423 2.985 ( -0.000 2.507 -0.000) 2.507 3.085 ( -0.000 -2.790 -0.000) 2.790 3.221 ( -0.000 -9.135 0.000) 9.135 3.393 ( 0.000 -11.938 -0.000) 11.938 3.425 ( -0.000 -8.422 0.000) 8.422 3.588 ( 0.000 2.804 0.000) 2.804 3.692 ( -0.000 -2.454 -0.000) 2.454 3.935 ( 0.000 -6.266 -0.000) 6.266 3.995 ( -0.000 -2.726 0.000) 2.726 4.324 ( 0.000 2.835 0.000) 2.835 4.423 ( 0.000 -3.470 -0.000) 3.470 4.455 ( -0.000 -7.695 0.000) 7.695 4.570 ( 0.000 0.431 -0.000) 0.431 4.662 ( 0.000 -0.204 -0.000) 0.204 4.693 ( 0.000 1.633 0.000) 1.633 4.997 ( 0.000 2.726 0.000) 2.726 5.193 ( -0.000 2.682 -0.000) 2.682 5.219 ( 0.000 2.339 0.000) 2.339 5.318 ( 0.000 2.641 0.000) 2.641 6.264 ( 0.000 -2.674 0.000) 2.674 6.323 ( 0.000 -1.371 0.000) 1.371 6.730 ( 0.000 2.325 0.000) 2.325 6.837 ( 0.000 0.446 0.000) 0.446 6.998 ( 0.000 -4.930 0.000) 4.930 7.027 ( 0.000 -5.202 -0.000) 5.202 7.364 ( 0.000 1.318 0.000) 1.318 7.456 ( 0.000 -0.587 -0.000) 0.587 7.801 ( 0.000 6.171 -0.000) 6.171 7.817 ( 0.000 7.687 0.000) 7.687 8.072 ( -0.000 5.179 0.000) 5.179 8.105 ( 0.000 4.318 -0.000) 4.318 11.467 ( 0.000 0.876 -0.000) 0.876 11.513 ( 0.000 1.440 0.000) 1.440 11.655 ( 0.000 7.216 0.000) 7.216 11.678 ( -0.000 8.046 0.000) 8.046 13.328 ( 0.000 3.912 0.000) 3.912 13.483 ( 0.000 10.814 -0.000) 10.814 13.534 ( -0.000 8.390 -0.000) 8.390 13.646 ( 0.000 7.467 0.000) 7.467 14.736 ( 0.000 -1.142 0.000) 1.142 14.752 ( 0.000 -0.824 0.000) 0.824 14.998 ( 0.000 -26.325 0.000) 26.325 15.022 ( -0.000 -21.799 -0.000) 21.799 ======================= Grid point 33 (19/160) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 3.963 0.000) 3.963 1.114 ( 0.000 12.948 0.000) 12.948 1.213 ( 0.000 -6.574 0.000) 6.574 1.427 ( 0.000 0.591 0.000) 0.591 1.473 ( 0.000 -2.267 0.000) 2.267 1.518 ( 0.000 8.858 0.000) 8.858 1.556 ( 0.000 -3.540 0.000) 3.540 1.652 ( 0.000 1.473 0.000) 1.473 1.674 ( 0.000 -1.012 0.000) 1.012 1.794 ( 0.000 -3.669 0.000) 3.669 1.947 ( 0.000 -6.745 0.000) 6.745 1.964 ( 0.000 -8.704 0.000) 8.704 2.353 ( 0.000 2.271 0.000) 2.271 2.483 ( 0.000 -4.097 0.000) 4.097 2.557 ( 0.000 4.088 0.000) 4.088 2.695 ( 0.000 -2.610 0.000) 2.610 2.730 ( 0.000 11.470 0.000) 11.470 2.856 ( 0.000 4.543 0.000) 4.543 2.994 ( 0.000 11.856 0.000) 11.856 3.054 ( 0.000 4.912 0.000) 4.912 3.208 ( 0.000 -3.542 0.000) 3.542 3.433 ( 0.000 5.877 0.000) 5.877 3.594 ( 0.000 -2.603 0.000) 2.603 3.814 ( 0.000 -4.426 0.000) 4.426 4.040 ( 0.000 8.003 0.000) 8.003 4.079 ( 0.000 6.949 0.000) 6.949 4.288 ( 0.000 8.567 0.000) 8.567 4.368 ( 0.000 4.721 0.000) 4.721 4.488 ( 0.000 6.312 0.000) 6.312 4.568 ( 0.000 7.642 0.000) 7.642 4.702 ( 0.000 -2.915 0.000) 2.915 4.713 ( 0.000 -6.846 0.000) 6.846 4.958 ( 0.000 -5.490 0.000) 5.490 5.205 ( 0.000 1.327 0.000) 1.327 5.304 ( 0.000 -18.550 0.000) 18.550 5.337 ( 0.000 -4.191 0.000) 4.191 6.479 ( 0.000 5.673 0.000) 5.673 6.561 ( 0.000 0.735 0.000) 0.735 6.723 ( 0.000 -2.992 0.000) 2.992 6.723 ( 0.000 -2.749 0.000) 2.749 6.896 ( 0.000 1.788 0.000) 1.788 6.970 ( 0.000 -1.502 0.000) 1.502 7.440 ( 0.000 -2.453 0.000) 2.453 7.495 ( 0.000 -4.260 0.000) 4.260 7.720 ( 0.000 3.097 0.000) 3.097 7.744 ( 0.000 6.583 0.000) 6.583 7.846 ( 0.000 -0.157 0.000) 0.157 8.063 ( 0.000 -7.359 0.000) 7.359 11.408 ( 0.000 1.107 0.000) 1.107 11.409 ( 0.000 1.718 0.000) 1.718 11.553 ( 0.000 3.354 0.000) 3.354 11.772 ( 0.000 -8.748 0.000) 8.748 13.291 ( 0.000 0.680 0.000) 0.680 13.358 ( 0.000 -2.728 0.000) 2.728 13.588 ( 0.000 6.044 0.000) 6.044 13.927 ( 0.000 -10.939 0.000) 10.939 14.681 ( 0.000 12.924 0.000) 12.924 14.758 ( 0.000 -0.729 0.000) 0.729 14.762 ( 0.000 11.516 0.000) 11.516 15.418 ( 0.000 -12.228 0.000) 12.228 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.463 4.214 -7.214) 8.710 1.081 ( -0.498 9.806 -2.695) 10.182 1.219 ( 1.084 -6.884 -0.185) 6.971 1.401 ( -3.524 2.267 -3.174) 5.257 1.430 ( -2.293 -4.065 0.471) 4.690 1.472 ( -1.242 4.486 -4.037) 6.161 1.549 ( -0.389 -1.219 -1.948) 2.331 1.659 ( -1.307 -2.424 -0.519) 2.803 1.715 ( 1.082 -2.017 3.997) 4.606 1.800 ( 2.424 2.628 1.368) 3.828 1.930 ( -0.842 -5.830 0.735) 5.936 2.069 ( 4.958 -7.385 5.123) 10.265 2.344 ( -3.247 2.638 1.133) 4.334 2.496 ( -2.418 -2.170 5.294) 6.211 2.531 ( -2.417 1.395 0.525) 2.840 2.643 ( -5.496 -1.730 1.558) 5.969 2.775 ( 0.701 9.702 5.791) 11.321 2.900 ( 2.709 3.735 2.118) 5.077 2.987 ( -1.278 11.506 -0.950) 11.615 3.078 ( 3.267 6.413 0.861) 7.248 3.196 ( 1.206 -2.842 -2.075) 3.720 3.414 ( -4.844 6.844 2.671) 8.800 3.585 ( 0.339 -1.182 -1.140) 1.676 3.828 ( -0.968 -4.017 2.968) 5.088 4.001 ( -2.888 6.430 2.882) 7.615 4.064 ( -6.378 7.899 -0.970) 10.199 4.304 ( 5.141 3.417 0.899) 6.238 4.379 ( -0.450 2.612 1.115) 2.876 4.458 ( -1.058 2.315 0.482) 2.591 4.546 ( -7.712 -2.347 1.580) 8.214 4.711 ( 0.527 -2.936 -0.684) 3.061 4.797 ( 9.391 3.478 0.236) 10.017 4.916 ( -4.356 -6.623 -0.416) 7.938 5.226 ( 2.735 2.086 -1.488) 3.747 5.227 ( -4.839 -12.062 -2.902) 13.316 5.347 ( -0.589 -5.153 1.065) 5.294 6.391 ( -7.430 4.752 -0.076) 8.820 6.546 ( -4.995 -3.238 1.484) 6.135 6.679 ( -0.102 0.956 -1.035) 1.412 6.794 ( 3.884 -4.005 -1.024) 5.672 6.890 ( 0.394 3.249 1.487) 3.595 7.014 ( 1.458 -2.144 3.643) 4.472 7.404 ( -4.676 -0.656 -0.082) 4.722 7.506 ( 1.700 -4.763 0.770) 5.116 7.671 ( 3.365 8.700 -6.509) 11.374 7.841 ( 7.027 3.818 1.203) 8.087 7.940 ( 10.714 -1.651 -2.159) 11.053 8.043 ( -0.430 -6.960 -2.930) 7.563 11.379 ( -1.645 1.372 -1.037) 2.379 11.395 ( -0.724 0.161 -0.955) 1.209 11.599 ( 6.331 4.392 -1.938) 7.945 11.799 ( 4.690 -6.308 -2.677) 8.304 13.327 ( 4.027 1.048 0.306) 4.173 13.419 ( 7.702 -3.614 -1.095) 8.578 13.569 ( 0.742 5.141 -3.975) 6.540 13.857 ( -1.353 -8.313 -8.730) 12.130 14.696 ( -4.617 10.409 8.232) 14.051 14.731 ( -3.318 3.208 1.687) 4.914 14.774 ( -1.913 5.635 2.982) 6.656 15.356 ( -10.494 -11.799 3.959) 16.279 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.640 2.389 -3.542) 4.320 1.049 ( 1.142 1.477 -5.505) 5.813 1.239 ( 1.561 -7.813 -0.452) 7.980 1.319 ( -1.062 3.551 -2.185) 4.302 1.407 ( -3.283 -3.739 2.114) 5.406 1.426 ( 0.956 3.661 -3.385) 5.077 1.516 ( -0.224 -0.013 -1.018) 1.042 1.576 ( -4.516 -2.777 -4.087) 6.694 1.756 ( -1.570 -1.285 3.239) 3.823 1.861 ( 2.826 -2.319 0.323) 3.670 1.953 ( -0.386 0.877 2.275) 2.469 2.115 ( -2.703 -3.798 -2.865) 5.472 2.324 ( -0.617 1.126 4.688) 4.861 2.437 ( -4.070 -3.284 -2.082) 5.629 2.567 ( -1.186 2.875 9.492) 9.989 2.639 ( -4.151 0.325 9.493) 10.366 2.820 ( -3.484 7.452 4.483) 9.368 2.940 ( -1.351 8.283 1.115) 8.466 2.972 ( 1.201 4.620 1.493) 5.002 3.141 ( 2.114 6.232 -0.826) 6.633 3.236 ( 5.339 0.174 0.751) 5.394 3.357 ( -6.546 3.846 5.926) 9.631 3.587 ( 0.061 0.191 0.756) 0.783 3.854 ( 0.378 -4.184 2.170) 4.729 3.950 ( -5.415 4.442 -0.367) 7.013 3.996 ( -3.220 2.760 3.598) 5.561 4.322 ( -10.934 -7.691 2.249) 13.556 4.392 ( 0.843 -3.826 2.210) 4.497 4.418 ( -2.113 -1.284 0.899) 2.631 4.501 ( -0.479 0.427 0.375) 0.743 4.659 ( -2.260 -0.533 -2.254) 3.236 4.837 ( -2.435 -2.567 -0.919) 3.656 4.962 ( 6.431 2.499 3.514) 7.742 5.118 ( -4.130 -1.707 -1.635) 4.758 5.268 ( 4.674 0.935 -2.792) 5.524 5.343 ( 0.267 -3.083 -1.274) 3.347 6.295 ( -6.016 2.527 2.324) 6.927 6.462 ( -6.988 -5.994 1.606) 9.346 6.670 ( -1.052 1.266 1.106) 1.983 6.811 ( -1.146 -5.409 0.833) 5.591 6.948 ( 4.233 4.710 0.742) 6.375 7.075 ( 3.358 -0.753 -0.896) 3.556 7.361 ( 1.150 3.810 -1.415) 4.224 7.505 ( 2.148 0.013 -6.122) 6.488 7.702 ( 3.473 4.237 1.517) 5.685 7.962 ( 4.606 -0.016 -3.875) 6.019 7.989 ( 3.945 -2.887 -3.354) 5.928 8.081 ( 9.537 0.030 -3.329) 10.101 11.354 ( -0.138 1.242 -0.162) 1.261 11.389 ( 0.281 -0.919 0.792) 1.245 11.686 ( 9.267 6.084 -5.122) 12.212 11.844 ( 6.702 -1.662 -5.965) 9.124 13.400 ( 3.759 3.287 -0.104) 4.994 13.515 ( 5.733 -1.443 -4.495) 7.427 13.549 ( 3.109 1.494 -3.800) 5.132 13.772 ( 4.226 -6.377 -5.558) 9.456 14.667 ( -13.695 7.812 12.621) 20.196 14.721 ( -1.068 0.244 2.059) 2.332 14.763 ( -2.874 1.997 1.994) 4.028 15.186 ( -16.241 -11.794 4.016) 20.469 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 1.929 -1.756 -1.916) 3.236 0.985 ( 0.326 -0.885 -4.902) 4.991 1.255 ( 1.679 -7.810 -2.690) 8.429 1.269 ( -3.163 -0.181 -6.816) 7.517 1.400 ( 0.622 1.225 4.546) 4.749 1.424 ( 1.377 1.388 -0.356) 1.988 1.494 ( -1.840 1.687 1.703) 3.022 1.554 ( 2.203 -0.112 3.794) 4.389 1.729 ( -4.069 0.549 -0.061) 4.106 1.885 ( -0.520 -5.532 0.278) 5.564 1.921 ( -2.286 2.902 -2.660) 4.552 2.023 ( -1.427 -3.302 -3.590) 5.082 2.357 ( -1.364 1.858 2.431) 3.350 2.433 ( 2.712 -2.571 1.992) 4.235 2.652 ( -0.562 2.696 5.522) 6.170 2.684 ( -3.161 4.097 10.493) 11.700 2.786 ( -3.612 7.424 1.600) 8.410 2.925 ( -2.171 4.350 2.057) 5.279 3.006 ( 0.225 2.084 1.759) 2.737 3.122 ( -1.645 3.899 -1.180) 4.394 3.307 ( -3.917 -4.907 6.173) 8.805 3.371 ( 1.159 -2.324 2.144) 3.367 3.603 ( -0.413 0.603 2.400) 2.509 3.814 ( -7.514 -8.087 -2.139) 11.244 3.895 ( -0.891 2.217 -0.304) 2.409 3.981 ( -2.788 -0.762 2.142) 3.597 4.206 ( -6.415 -6.440 6.910) 11.418 4.362 ( -6.059 -11.616 4.086) 13.723 4.415 ( -1.628 4.040 3.509) 5.594 4.499 ( -0.585 0.554 1.153) 1.407 4.649 ( 2.251 4.982 -1.486) 5.665 4.805 ( -0.299 -1.635 -1.823) 2.467 5.066 ( -0.651 3.309 0.431) 3.400 5.085 ( 4.025 1.065 2.060) 4.645 5.302 ( 3.427 0.698 -3.261) 4.781 5.331 ( 1.385 -1.528 -2.718) 3.412 6.248 ( -4.295 0.200 3.242) 5.385 6.374 ( -6.062 -5.739 1.357) 8.457 6.685 ( -0.501 0.667 4.361) 4.440 6.799 ( -2.647 -4.856 3.096) 6.338 7.003 ( 3.512 3.697 -2.769) 5.803 7.070 ( 1.308 1.475 -6.774) 7.055 7.399 ( 6.204 4.266 -4.803) 8.931 7.469 ( 3.499 2.117 -7.226) 8.303 7.786 ( 1.526 1.596 5.563) 5.985 7.896 ( -1.523 -4.025 -2.978) 5.233 8.092 ( 8.223 4.087 -3.333) 9.768 8.162 ( 6.008 1.658 -4.441) 7.653 11.378 ( 1.662 1.387 2.331) 3.181 11.421 ( 0.854 -1.064 3.046) 3.338 11.769 ( 9.770 7.372 -7.349) 14.276 11.868 ( 6.496 2.501 -8.957) 11.344 13.412 ( 0.793 5.505 -2.239) 5.995 13.541 ( 2.518 2.399 -2.629) 4.360 13.574 ( 3.608 2.038 1.703) 4.480 13.864 ( 10.124 -4.452 -4.209) 11.834 14.563 ( -17.466 -1.548 13.903) 22.378 14.715 ( -2.276 -1.566 1.124) 2.983 14.741 ( -0.948 -0.350 0.065) 1.012 14.954 ( -15.908 -13.394 1.111) 20.825 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.217 3.511 -3.792) 5.172 0.953 ( -3.576 -2.619 -4.318) 6.188 1.129 ( -0.855 0.239 -4.392) 4.481 1.243 ( 0.451 -6.531 -1.988) 6.842 1.457 ( 0.782 1.155 2.876) 3.196 1.490 ( 2.306 3.489 2.507) 4.876 1.517 ( 0.539 2.633 3.169) 4.155 1.618 ( -2.822 0.138 2.734) 3.932 1.691 ( 2.637 0.712 2.626) 3.788 1.860 ( -0.184 -0.823 -2.164) 2.322 1.881 ( -0.532 -2.795 -1.538) 3.235 1.984 ( -0.629 -4.764 -1.522) 5.041 2.368 ( 0.491 3.284 0.595) 3.373 2.462 ( -1.074 2.830 -0.403) 3.054 2.702 ( 1.355 2.045 6.096) 6.571 2.750 ( 3.060 4.450 -4.559) 7.068 2.777 ( -0.664 0.095 7.327) 7.358 2.934 ( -0.085 -1.377 1.125) 1.780 3.013 ( -1.728 -1.181 2.590) 3.330 3.091 ( -0.195 0.762 -1.343) 1.556 3.242 ( -10.711 -9.056 3.879) 14.552 3.338 ( -8.100 -11.338 1.017) 13.971 3.621 ( 1.183 0.089 -0.066) 1.188 3.683 ( -3.149 -3.091 -1.978) 4.836 3.881 ( -0.684 0.741 -0.326) 1.060 3.964 ( -0.646 -0.794 0.888) 1.355 4.255 ( -0.270 -3.110 6.994) 7.658 4.346 ( -1.756 -6.143 3.258) 7.172 4.434 ( -1.644 3.644 4.362) 5.917 4.517 ( -0.923 -0.526 4.521) 4.644 4.670 ( 1.666 4.058 -0.232) 4.393 4.769 ( -0.093 -0.486 -4.393) 4.420 5.063 ( 0.618 3.941 -0.565) 4.029 5.167 ( 2.522 0.116 2.464) 3.528 5.292 ( 0.816 1.646 -3.374) 3.842 5.338 ( 1.835 -0.457 -1.481) 2.402 6.225 ( -2.417 -0.944 2.230) 3.422 6.306 ( -3.663 -4.109 0.470) 5.525 6.748 ( 0.040 0.889 6.565) 6.625 6.805 ( -1.489 -2.266 4.306) 5.089 6.988 ( 0.265 1.302 -6.479) 6.614 6.998 ( 1.322 0.575 -6.817) 6.968 7.400 ( 3.346 1.508 -6.903) 7.818 7.456 ( 2.261 -0.155 -5.406) 5.861 7.851 ( 0.409 2.769 4.517) 5.314 7.901 ( 0.810 1.053 2.916) 3.205 8.158 ( 5.123 3.643 -3.767) 7.328 8.178 ( 1.944 3.218 -3.211) 4.944 11.445 ( 1.799 1.099 3.478) 4.066 11.474 ( 0.851 -0.541 3.929) 4.056 11.826 ( 6.705 7.616 -5.941) 11.758 11.845 ( 3.382 5.760 -8.862) 11.097 13.420 ( 1.678 7.414 0.042) 7.602 13.591 ( 5.977 5.124 -0.324) 7.880 13.650 ( 0.803 5.989 5.248) 8.004 13.903 ( 1.025 5.571 -6.788) 8.841 14.470 ( -9.769 -18.897 10.128) 23.561 14.656 ( -6.504 -12.874 -0.972) 14.456 14.731 ( -0.562 -0.934 -0.031) 1.090 14.766 ( -5.715 -7.026 -0.475) 9.069 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.000 5.622 -0.000) 5.622 0.829 ( 0.000 2.797 0.000) 2.797 1.115 ( 0.000 -2.640 0.000) 2.640 1.238 ( -0.000 -6.396 -0.000) 6.396 1.492 ( -0.000 1.828 -0.000) 1.828 1.499 ( 0.000 6.021 0.000) 6.021 1.555 ( 0.000 1.152 -0.000) 1.152 1.599 ( 0.000 0.611 -0.000) 0.611 1.780 ( 0.000 2.210 -0.000) 2.210 1.816 ( 0.000 -2.701 0.000) 2.701 1.873 ( -0.000 -3.566 0.000) 3.566 1.969 ( 0.000 -5.647 -0.000) 5.647 2.373 ( -0.000 5.222 0.000) 5.222 2.441 ( 0.000 5.412 0.000) 5.412 2.738 ( 0.000 1.093 -0.000) 1.093 2.800 ( -0.000 -0.246 0.000) 0.246 2.822 ( 0.000 3.560 0.000) 3.560 2.912 ( -0.000 -7.113 0.000) 7.113 3.032 ( 0.000 -9.253 -0.000) 9.253 3.084 ( -0.000 -1.510 -0.000) 1.510 3.145 ( 0.000 -9.227 -0.000) 9.227 3.246 ( -0.000 -8.184 0.000) 8.184 3.636 ( 0.000 1.271 0.000) 1.271 3.654 ( -0.000 -1.188 0.000) 1.188 3.873 ( 0.000 0.368 0.000) 0.368 3.968 ( -0.000 -1.376 0.000) 1.376 4.295 ( 0.000 -2.453 0.000) 2.453 4.354 ( -0.000 -3.540 0.000) 3.540 4.449 ( 0.000 3.530 0.000) 3.530 4.546 ( -0.000 -1.825 -0.000) 1.825 4.698 ( 0.000 2.566 -0.000) 2.566 4.721 ( 0.000 1.111 0.000) 1.111 5.066 ( 0.000 3.914 0.000) 3.914 5.206 ( -0.000 -1.499 -0.000) 1.499 5.275 ( 0.000 3.220 0.000) 3.220 5.345 ( 0.000 0.243 0.000) 0.243 6.219 ( 0.000 -1.322 0.000) 1.322 6.277 ( 0.000 -3.057 0.000) 3.057 6.785 ( 0.000 2.929 -0.000) 2.929 6.843 ( 0.000 -0.142 0.000) 0.142 6.935 ( 0.000 -1.461 -0.000) 1.461 6.961 ( 0.000 -1.998 -0.000) 1.998 7.386 ( 0.000 0.954 0.000) 0.954 7.434 ( 0.000 -1.512 0.000) 1.512 7.896 ( -0.000 3.690 -0.000) 3.690 7.923 ( 0.000 3.102 0.000) 3.102 8.166 ( -0.000 3.935 0.000) 3.935 8.181 ( 0.000 3.092 -0.000) 3.092 11.480 ( 0.000 0.733 -0.000) 0.733 11.515 ( 0.000 -0.664 0.000) 0.664 11.812 ( 0.000 7.738 0.000) 7.738 11.847 ( -0.000 7.349 0.000) 7.349 13.439 ( -0.000 8.604 0.000) 8.604 13.654 ( 0.000 5.575 -0.000) 5.575 13.738 ( -0.000 12.471 -0.000) 12.471 13.796 ( 0.000 7.210 0.000) 7.210 14.467 ( -0.000 -26.122 0.000) 26.122 14.567 ( -0.000 -22.839 0.000) 22.839 14.724 ( 0.000 -0.942 -0.000) 0.942 14.734 ( -0.000 -0.929 0.000) 0.929 ======================= Grid point 44 (25/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 -7.655 0.000) 7.655 1.055 ( 0.000 7.655 0.000) 7.655 1.342 ( 0.000 -9.238 0.000) 9.238 1.342 ( 0.000 9.238 0.000) 9.238 1.481 ( 0.000 -2.626 0.000) 2.626 1.481 ( 0.000 2.626 0.000) 2.626 1.637 ( 0.000 -1.575 0.000) 1.575 1.637 ( 0.000 1.575 0.000) 1.575 1.768 ( 0.000 -7.889 0.000) 7.889 1.768 ( 0.000 7.889 0.000) 7.889 1.829 ( 0.000 -3.038 0.000) 3.038 1.829 ( 0.000 3.038 0.000) 3.038 2.400 ( 0.000 -3.241 0.000) 3.241 2.400 ( 0.000 3.241 0.000) 3.241 2.631 ( 0.000 -3.509 0.000) 3.509 2.631 ( 0.000 3.509 0.000) 3.509 2.880 ( 0.000 -2.596 0.000) 2.596 2.880 ( 0.000 2.596 0.000) 2.596 3.136 ( 0.000 -3.692 0.000) 3.692 3.136 ( 0.000 3.692 0.000) 3.692 3.282 ( 0.000 -14.823 0.000) 14.823 3.282 ( 0.000 14.823 0.000) 14.823 3.697 ( 0.000 -7.430 0.000) 7.430 3.697 ( 0.000 7.430 0.000) 7.430 4.147 ( 0.000 -1.524 0.000) 1.524 4.147 ( 0.000 1.524 0.000) 1.524 4.415 ( 0.000 -1.419 0.000) 1.419 4.415 ( 0.000 1.419 0.000) 1.419 4.553 ( 0.000 -4.451 0.000) 4.451 4.553 ( 0.000 4.451 0.000) 4.451 4.730 ( 0.000 -2.017 0.000) 2.017 4.730 ( 0.000 2.017 0.000) 2.017 4.944 ( 0.000 -12.598 0.000) 12.598 4.944 ( 0.000 12.598 0.000) 12.598 5.266 ( 0.000 -3.104 0.000) 3.104 5.266 ( 0.000 3.104 0.000) 3.104 6.556 ( 0.000 -1.974 0.000) 1.974 6.556 ( 0.000 1.974 0.000) 1.974 6.691 ( 0.000 -0.397 0.000) 0.397 6.691 ( 0.000 0.397 0.000) 0.397 6.935 ( 0.000 -2.119 0.000) 2.119 6.935 ( 0.000 2.119 0.000) 2.119 7.431 ( 0.000 -1.683 0.000) 1.683 7.431 ( 0.000 1.683 0.000) 1.683 7.785 ( 0.000 -2.860 0.000) 2.860 7.785 ( 0.000 2.860 0.000) 2.860 7.912 ( 0.000 -7.670 0.000) 7.670 7.912 ( 0.000 7.670 0.000) 7.670 11.423 ( 0.000 -0.237 0.000) 0.237 11.423 ( 0.000 0.237 0.000) 0.237 11.637 ( 0.000 -5.476 0.000) 5.476 11.637 ( 0.000 5.476 0.000) 5.476 13.314 ( 0.000 -1.767 0.000) 1.767 13.314 ( 0.000 1.767 0.000) 1.767 13.732 ( 0.000 -8.870 0.000) 8.870 13.732 ( 0.000 8.870 0.000) 8.870 14.739 ( 0.000 -1.201 0.000) 1.201 14.739 ( 0.000 1.201 0.000) 1.201 15.128 ( 0.000 -17.837 0.000) 17.837 15.128 ( 0.000 17.837 0.000) 17.837 ======================= Grid point 46 (26/160) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.319 -8.666 -9.085) 12.560 0.999 ( 0.319 8.666 -9.085) 12.560 1.304 ( -3.621 -7.830 0.237) 8.630 1.304 ( -3.621 7.830 0.237) 8.630 1.473 ( 0.413 -3.852 -1.411) 4.123 1.473 ( 0.413 3.852 -1.411) 4.123 1.599 ( -2.299 -3.788 -3.769) 5.817 1.599 ( -2.299 3.788 -3.769) 5.817 1.757 ( -2.061 -6.019 3.850) 7.436 1.757 ( -2.061 6.019 3.850) 7.436 1.934 ( 5.763 -5.994 4.704) 9.553 1.934 ( 5.763 5.994 4.704) 9.553 2.405 ( -2.677 -4.120 2.932) 5.721 2.405 ( -2.677 4.120 2.932) 5.721 2.592 ( -4.221 -2.952 2.178) 5.593 2.592 ( -4.221 2.952 2.178) 5.593 2.912 ( 1.924 -3.062 1.718) 4.004 2.912 ( 1.924 3.062 1.718) 4.004 3.122 ( -0.404 -4.027 -0.866) 4.139 3.122 ( -0.404 4.027 -0.866) 4.139 3.308 ( 1.995 -12.847 1.316) 13.067 3.308 ( 1.995 12.847 1.316) 13.067 3.704 ( -1.619 -8.392 2.592) 8.931 3.704 ( -1.619 8.392 2.592) 8.931 4.141 ( -2.931 -4.292 1.496) 5.408 4.141 ( -2.931 4.292 1.496) 5.408 4.345 ( -10.577 -5.686 1.094) 12.058 4.345 ( -10.577 5.686 1.094) 12.058 4.477 ( -2.463 -4.579 -0.246) 5.205 4.477 ( -2.463 4.579 -0.246) 5.205 4.763 ( 0.505 -6.937 -0.276) 6.961 4.763 ( 0.505 6.937 -0.276) 6.961 4.983 ( 4.811 -12.032 -0.422) 12.965 4.983 ( 4.811 12.032 -0.422) 12.965 5.273 ( 1.785 -2.951 -1.181) 3.645 5.273 ( 1.785 2.951 -1.181) 3.645 6.475 ( -7.679 -3.941 0.131) 8.632 6.475 ( -7.679 3.941 0.131) 8.632 6.723 ( 1.924 -3.205 -0.796) 3.822 6.723 ( 1.924 3.205 -0.796) 3.822 6.959 ( 1.881 -3.485 2.285) 4.572 6.959 ( 1.881 3.485 2.285) 4.572 7.426 ( -0.164 -2.944 0.432) 2.980 7.426 ( -0.164 2.944 0.432) 2.980 7.840 ( 6.036 -7.786 -4.291) 10.746 7.840 ( 6.036 7.786 -4.291) 10.746 7.928 ( 4.471 -4.434 -0.416) 6.310 7.928 ( 4.471 4.434 -0.416) 6.310 11.395 ( -1.755 -0.376 -0.992) 2.051 11.395 ( -1.755 0.376 -0.992) 2.051 11.691 ( 7.216 -5.076 -2.062) 9.060 11.691 ( 7.216 5.076 -2.062) 9.060 13.359 ( 5.401 -2.383 0.108) 5.905 13.359 ( 5.401 2.383 0.108) 5.905 13.694 ( -0.414 -7.721 -5.639) 9.569 13.694 ( -0.414 7.721 -5.639) 9.569 14.735 ( -0.722 -0.887 0.303) 1.183 14.735 ( -0.722 0.887 0.303) 1.183 15.083 ( -10.419 -16.332 6.675) 20.490 15.083 ( -10.419 16.332 6.675) 20.490 ======================= Grid point 48 (27/160) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 2.561 -9.454 -9.648) 13.748 0.910 ( 2.561 9.454 -9.648) 13.748 1.263 ( -2.073 -5.381 0.304) 5.775 1.263 ( -2.073 5.381 0.304) 5.775 1.460 ( -2.883 -4.538 1.109) 5.489 1.460 ( -2.883 4.538 1.109) 5.489 1.516 ( 0.496 -3.898 -4.791) 6.196 1.516 ( 0.496 3.898 -4.791) 6.196 1.779 ( -1.142 -3.774 3.413) 5.215 1.779 ( -1.142 3.774 3.413) 5.215 2.027 ( 0.205 -4.929 0.808) 4.999 2.027 ( 0.205 4.929 0.808) 4.999 2.367 ( -2.038 -3.331 0.383) 3.924 2.367 ( -2.038 3.331 0.383) 3.924 2.609 ( -3.203 -1.967 10.699) 11.341 2.609 ( -3.203 1.967 10.699) 11.341 2.951 ( 0.516 -4.202 1.270) 4.420 2.951 ( 0.516 4.202 1.270) 4.420 3.122 ( 0.441 -5.789 0.450) 5.824 3.122 ( 0.441 5.789 0.450) 5.824 3.339 ( -2.874 -6.407 3.262) 7.743 3.339 ( -2.874 6.407 3.262) 7.743 3.691 ( -2.687 -10.438 1.334) 10.860 3.691 ( -2.687 10.438 1.334) 10.860 4.047 ( -8.215 -2.446 -0.690) 8.599 4.047 ( -8.215 2.446 -0.690) 8.599 4.217 ( -8.261 -4.522 5.180) 10.748 4.217 ( -8.261 4.522 5.180) 10.748 4.473 ( 0.280 -2.715 0.626) 2.800 4.473 ( 0.280 2.715 0.626) 2.800 4.750 ( -0.302 -5.809 -0.694) 5.858 4.750 ( -0.302 5.809 -0.694) 5.858 5.051 ( 3.038 -4.972 0.804) 5.881 5.051 ( 3.038 4.972 0.804) 5.881 5.293 ( 3.344 -1.902 -2.833) 4.777 5.293 ( 3.344 1.902 -2.833) 4.777 6.361 ( -7.330 -4.327 1.436) 8.632 6.361 ( -7.330 4.327 1.436) 8.632 6.720 ( -1.498 -3.799 0.958) 4.194 6.720 ( -1.498 3.799 0.958) 4.194 7.031 ( 4.618 -3.533 -0.338) 5.824 7.031 ( 4.618 3.533 -0.338) 5.824 7.448 ( 3.375 -4.667 -1.431) 5.934 7.448 ( 3.375 4.667 -1.431) 5.934 7.831 ( 0.468 -7.812 -3.556) 8.596 7.831 ( 0.468 7.812 -3.556) 8.596 8.048 ( 10.300 -3.175 -2.664) 11.103 8.048 ( 10.300 3.175 -2.664) 11.103 11.373 ( -0.121 -0.803 0.369) 0.892 11.373 ( -0.121 0.803 0.369) 0.892 11.789 ( 10.168 -4.176 -5.750) 12.405 11.789 ( 10.168 4.176 -5.750) 12.405 13.465 ( 6.646 -3.091 -0.102) 7.330 13.465 ( 6.646 3.091 -0.102) 7.330 13.629 ( 1.615 -6.508 -5.277) 8.533 13.629 ( 1.615 6.508 -5.277) 8.533 14.722 ( -1.845 -0.486 0.857) 2.092 14.722 ( -1.845 0.486 0.857) 2.092 14.945 ( -17.385 -12.892 8.022) 23.083 14.945 ( -17.385 12.892 8.022) 23.083 ======================= Grid point 50 (28/160) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 3.771 -7.505 -6.045) 10.348 0.876 ( 3.771 7.505 -6.045) 10.348 1.218 ( -1.873 -2.734 -3.809) 5.048 1.218 ( -1.873 2.734 -3.809) 5.048 1.434 ( 0.074 -1.004 1.726) 1.998 1.434 ( 0.074 1.004 1.726) 1.998 1.534 ( 1.450 -2.069 2.711) 3.705 1.534 ( 1.450 2.069 2.711) 3.705 1.781 ( -1.981 -4.500 1.588) 5.167 1.781 ( -1.981 4.500 1.588) 5.167 1.973 ( -2.499 -2.442 -3.798) 5.160 1.973 ( -2.499 2.442 -3.798) 5.160 2.386 ( 1.616 -1.881 2.068) 3.229 2.386 ( 1.616 1.881 2.068) 3.229 2.690 ( -1.628 -1.459 9.625) 9.870 2.690 ( -1.628 1.459 9.625) 9.870 2.954 ( -2.649 -6.466 2.395) 7.387 2.954 ( -2.649 6.466 2.395) 7.387 3.109 ( -3.039 -8.319 -1.200) 8.938 3.109 ( -3.039 8.319 -1.200) 8.938 3.268 ( -9.960 -4.841 3.876) 11.733 3.268 ( -9.960 4.841 3.876) 11.733 3.652 ( -2.041 -5.605 -0.790) 6.017 3.652 ( -2.041 5.605 -0.790) 6.017 3.954 ( -2.615 -2.696 -0.109) 3.758 3.954 ( -2.615 2.696 -0.109) 3.758 4.195 ( -3.035 -4.975 7.099) 9.185 4.195 ( -3.035 4.975 7.099) 9.185 4.481 ( -1.423 -2.377 2.551) 3.766 4.481 ( -1.423 2.377 2.551) 3.766 4.746 ( 0.667 -4.361 -1.083) 4.543 4.746 ( 0.667 4.361 -1.083) 4.543 5.099 ( 1.704 -0.333 1.381) 2.218 5.099 ( 1.704 0.333 1.381) 2.218 5.311 ( 3.260 -0.528 -3.384) 4.728 5.311 ( 3.260 0.528 -3.384) 4.728 6.282 ( -5.362 -3.423 2.232) 6.742 6.282 ( -5.362 3.423 2.232) 6.742 6.721 ( -1.231 -3.008 3.715) 4.936 6.721 ( -1.231 3.008 3.715) 4.936 7.063 ( 2.724 -2.041 -5.112) 6.142 7.063 ( 2.724 2.041 -5.112) 6.142 7.471 ( 4.242 -2.264 -6.869) 8.385 7.471 ( 4.242 2.264 -6.869) 8.385 7.825 ( 0.520 -2.909 2.583) 3.925 7.825 ( 0.520 2.909 2.583) 3.925 8.156 ( 7.858 -2.121 -4.170) 9.145 8.156 ( 7.858 2.121 -4.170) 9.145 11.402 ( 1.273 -1.031 2.834) 3.273 11.402 ( 1.273 1.031 2.834) 3.273 11.871 ( 10.305 -2.620 -9.114) 14.005 11.871 ( 10.305 2.620 -9.114) 14.005 13.520 ( 2.554 -4.284 -0.896) 5.067 13.520 ( 2.554 4.284 -0.896) 5.067 13.685 ( 7.820 -9.854 0.117) 12.580 13.685 ( 7.820 9.854 0.117) 12.580 14.653 ( -14.988 -6.558 4.220) 16.896 14.653 ( -14.988 6.558 4.220) 16.896 14.762 ( -7.615 -4.238 1.788) 8.896 14.762 ( -7.615 4.238 1.788) 8.896 ======================= Grid point 52 (29/160) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 1.505 -5.843 -3.477) 6.964 0.870 ( 1.505 5.843 -3.477) 6.964 1.149 ( -0.117 -2.354 -3.935) 4.587 1.149 ( -0.117 2.354 -3.935) 4.587 1.489 ( 2.345 -1.719 2.897) 4.105 1.489 ( 2.345 1.719 2.897) 4.105 1.587 ( -0.642 -3.323 3.989) 5.232 1.587 ( -0.642 3.323 3.989) 5.232 1.773 ( 0.229 -5.506 0.979) 5.597 1.773 ( 0.229 5.506 0.979) 5.597 1.903 ( -1.346 -3.236 -3.417) 4.895 1.903 ( -1.346 3.236 -3.417) 4.895 2.440 ( 3.004 -3.817 0.805) 4.923 2.440 ( 3.004 3.817 0.805) 4.923 2.754 ( -1.195 -2.413 5.869) 6.458 2.754 ( -1.195 2.413 5.869) 6.458 2.908 ( -5.951 -6.646 0.115) 8.921 2.908 ( -5.951 6.646 0.115) 8.921 3.000 ( -5.722 -6.577 -1.568) 8.858 3.000 ( -5.722 6.577 -1.568) 8.858 3.175 ( -5.945 -3.381 3.159) 7.533 3.175 ( -5.945 3.381 3.159) 7.533 3.636 ( 1.258 -1.491 -1.269) 2.327 3.636 ( 1.258 1.491 -1.269) 2.327 3.929 ( -1.060 -2.872 0.067) 3.062 3.929 ( -1.060 2.872 0.067) 3.062 4.257 ( 0.453 -2.856 5.641) 6.339 4.257 ( 0.453 2.856 5.641) 6.339 4.493 ( -1.713 -2.107 4.162) 4.969 4.493 ( -1.713 2.107 4.162) 4.969 4.739 ( 0.572 -2.706 -1.934) 3.375 4.739 ( 0.572 2.706 -1.934) 3.375 5.134 ( 1.164 -3.178 0.519) 3.425 5.134 ( 1.164 3.178 0.519) 3.425 5.323 ( 1.918 -1.350 -1.831) 2.975 5.323 ( 1.918 1.350 -1.831) 2.975 6.239 ( -2.882 -2.346 1.570) 4.035 6.239 ( -2.882 2.346 1.570) 4.035 6.768 ( -0.085 -1.402 6.417) 6.569 6.768 ( -0.085 1.402 6.417) 6.569 7.007 ( 0.246 -0.182 -8.369) 8.375 7.007 ( 0.246 0.182 -8.369) 8.375 7.433 ( 1.886 -1.749 -6.964) 7.424 7.433 ( 1.886 1.749 -6.964) 7.424 7.895 ( 1.427 -1.532 5.226) 5.630 7.895 ( 1.427 1.532 5.226) 5.630 8.203 ( 4.005 -0.677 -3.903) 5.633 8.203 ( 4.005 0.677 -3.903) 5.633 11.462 ( 1.228 -0.724 3.681) 3.948 11.462 ( 1.228 0.724 3.681) 3.948 11.907 ( 6.543 -0.215 -8.218) 10.506 11.907 ( 6.543 0.215 -8.218) 10.506 13.580 ( 4.599 -6.589 1.146) 8.117 13.580 ( 4.599 6.589 1.146) 8.117 13.817 ( 7.014 -11.142 1.669) 13.271 13.817 ( 7.014 11.142 1.669) 13.271 14.388 ( -18.768 -9.472 1.321) 21.064 14.388 ( -18.768 9.472 1.321) 21.064 14.726 ( -0.872 -0.458 0.137) 0.995 14.726 ( -0.872 0.458 0.137) 0.995 ======================= Grid point 54 (30/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 -0.845 0.000) 0.845 0.856 ( 0.000 0.845 0.000) 0.845 1.132 ( 0.000 -3.956 0.000) 3.956 1.132 ( 0.000 3.956 0.000) 3.956 1.536 ( -0.000 -2.167 0.000) 2.167 1.536 ( -0.000 2.167 0.000) 2.167 1.591 ( 0.000 -2.524 0.000) 2.524 1.591 ( 0.000 2.524 -0.000) 2.524 1.802 ( -0.000 -2.166 -0.000) 2.166 1.802 ( 0.000 2.166 0.000) 2.166 1.860 ( 0.000 -5.218 0.000) 5.218 1.860 ( 0.000 5.218 0.000) 5.218 2.477 ( 0.000 -3.312 0.000) 3.312 2.477 ( -0.000 3.312 0.000) 3.312 2.791 ( 0.000 -4.289 -0.000) 4.289 2.791 ( 0.000 4.288 -0.000) 4.288 2.817 ( 0.000 -2.878 0.000) 2.878 2.817 ( 0.000 2.878 0.000) 2.878 2.952 ( 0.000 -3.390 0.000) 3.390 2.952 ( 0.000 3.390 0.000) 3.390 3.148 ( 0.000 -2.609 0.000) 2.609 3.148 ( 0.000 2.609 0.000) 2.609 3.643 ( -0.000 -0.128 0.000) 0.128 3.643 ( 0.000 0.128 0.000) 0.128 3.921 ( 0.000 -3.268 0.000) 3.268 3.921 ( 0.000 3.268 0.000) 3.268 4.295 ( 0.000 -2.070 0.000) 2.070 4.295 ( 0.000 2.070 0.000) 2.070 4.507 ( 0.000 -2.330 0.000) 2.330 4.507 ( 0.000 2.330 0.000) 2.330 4.730 ( 0.000 -0.457 0.000) 0.457 4.730 ( 0.000 0.457 0.000) 0.457 5.145 ( 0.000 -4.143 -0.000) 4.143 5.145 ( 0.000 4.143 0.000) 4.143 5.329 ( 0.000 -1.960 0.000) 1.960 5.329 ( 0.000 1.960 0.000) 1.960 6.225 ( 0.000 -1.827 0.000) 1.827 6.225 ( 0.000 1.827 0.000) 1.827 6.828 ( 0.000 -1.415 0.000) 1.415 6.828 ( 0.000 1.415 0.000) 1.415 6.934 ( 0.000 -0.916 -0.000) 0.916 6.934 ( 0.000 0.916 -0.000) 0.916 7.406 ( 0.000 -1.269 0.000) 1.269 7.406 ( 0.000 1.269 0.000) 1.269 7.942 ( 0.000 -0.920 0.000) 0.920 7.942 ( 0.000 0.920 0.000) 0.920 8.210 ( 0.000 -0.354 0.000) 0.354 8.210 ( 0.000 0.354 0.000) 0.354 11.497 ( 0.000 -1.014 0.000) 1.014 11.497 ( 0.000 1.014 0.000) 1.014 11.909 ( 0.000 -1.352 0.000) 1.352 11.909 ( 0.000 1.352 0.000) 1.352 13.637 ( 0.000 -8.305 -0.000) 8.305 13.637 ( 0.000 8.305 -0.000) 8.305 13.910 ( 0.000 -2.255 0.000) 2.255 13.910 ( 0.000 2.255 0.000) 2.255 14.202 ( 0.000 -8.514 0.000) 8.514 14.202 ( -0.000 8.514 0.000) 8.514 14.721 ( 0.000 -0.371 0.000) 0.371 14.721 ( 0.000 0.371 -0.000) 0.371 ======================= Grid point 99 (31/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.721 0.000 17.678) 17.692 0.377 ( 4.913 0.000 20.032) 20.625 0.815 ( -4.800 0.000 41.131) 41.411 1.355 ( -1.272 0.000 -7.037) 7.151 1.435 ( -2.179 0.000 -1.550) 2.674 1.523 ( 3.175 0.000 -5.247) 6.133 1.525 ( -0.320 0.000 -6.480) 6.488 1.866 ( -0.886 0.000 -4.970) 5.048 1.874 ( -2.468 0.000 -3.661) 4.415 2.032 ( -4.842 0.000 -3.518) 5.985 2.050 ( -0.451 0.000 4.437) 4.459 2.252 ( -1.213 0.000 0.202) 1.230 2.261 ( 8.455 0.000 1.474) 8.582 2.350 ( 4.132 0.000 3.302) 5.289 2.413 ( 4.858 0.000 0.731) 4.913 2.672 ( 0.333 0.000 1.281) 1.324 2.715 ( -5.842 0.000 -3.480) 6.800 2.778 ( -0.724 0.000 -3.201) 3.282 2.856 ( 0.329 0.000 0.445) 0.553 2.891 ( 3.033 0.000 -2.263) 3.785 3.156 ( 0.040 0.000 4.306) 4.307 3.249 ( -1.334 0.000 22.298) 22.338 3.682 ( -0.778 0.000 4.487) 4.554 3.695 ( -2.455 0.000 0.744) 2.565 3.717 ( 0.865 0.000 -6.002) 6.064 3.963 ( -5.384 0.000 -0.425) 5.401 3.964 ( 1.552 0.000 4.757) 5.004 4.126 ( -0.058 0.000 -0.177) 0.186 4.183 ( 0.006 0.000 3.678) 3.678 4.514 ( 7.604 0.000 2.047) 7.875 4.864 ( 0.305 0.000 1.063) 1.106 5.016 ( -7.849 0.000 -1.058) 7.920 5.043 ( -1.512 0.000 -1.409) 2.067 5.222 ( 0.361 0.000 -0.669) 0.761 5.255 ( 2.986 0.000 -1.897) 3.538 5.916 ( 0.419 0.000 -12.074) 12.081 6.182 ( 0.885 0.000 4.605) 4.689 6.549 ( 0.469 0.000 0.585) 0.750 6.733 ( -1.445 0.000 -1.920) 2.403 6.828 ( -1.397 0.000 1.573) 2.104 6.857 ( -2.567 0.000 2.647) 3.687 7.311 ( 4.410 0.000 -3.848) 5.853 7.381 ( -2.989 0.000 2.167) 3.692 7.593 ( -0.279 0.000 -1.711) 1.733 7.605 ( 11.416 0.000 -0.706) 11.438 7.758 ( -9.241 0.000 0.670) 9.266 7.772 ( -0.847 0.000 -0.954) 1.276 8.229 ( 0.937 0.000 -7.172) 7.232 11.291 ( 0.019 0.000 0.972) 0.972 11.381 ( 0.117 0.000 -0.646) 0.657 11.493 ( 1.751 0.000 3.286) 3.724 12.311 ( -1.964 0.000 -13.633) 13.774 13.239 ( -0.788 0.000 0.455) 0.910 13.239 ( -6.281 0.000 0.535) 6.303 13.478 ( 7.028 0.000 -0.255) 7.033 13.504 ( -2.909 0.000 -0.437) 2.941 14.543 ( 4.053 0.000 15.706) 16.220 14.714 ( 0.403 0.000 1.852) 1.896 14.760 ( -0.113 0.000 -0.181) 0.213 15.828 ( -3.331 0.000 -7.273) 8.000 ======================= Grid point 100 (32/160) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 12.008 0.000 12.064) 17.022 0.747 ( 13.062 0.000 16.177) 20.792 1.247 ( 3.557 0.000 30.649) 30.854 1.254 ( 0.877 0.000 -10.781) 10.817 1.341 ( -1.231 0.000 -8.951) 9.036 1.505 ( 6.288 0.000 -1.037) 6.373 1.538 ( 3.745 0.000 -2.882) 4.726 1.709 ( -10.035 0.000 -5.904) 11.643 1.810 ( -0.294 0.000 -3.723) 3.735 1.903 ( -5.600 0.000 0.647) 5.638 2.083 ( -2.454 0.000 5.620) 6.133 2.225 ( -2.944 0.000 1.489) 3.300 2.367 ( 3.919 0.000 1.811) 4.318 2.424 ( 2.947 0.000 -0.865) 3.071 2.561 ( -10.860 0.000 -5.560) 12.200 2.566 ( 8.386 0.000 0.952) 8.440 2.688 ( 1.471 0.000 -5.745) 5.930 2.695 ( -0.127 0.000 3.157) 3.160 2.868 ( -1.469 0.000 -2.423) 2.834 2.877 ( 2.748 0.000 -1.211) 3.003 3.154 ( -6.746 0.000 9.130) 11.352 3.449 ( -4.612 0.000 20.552) 21.063 3.624 ( 2.809 0.000 -8.471) 8.925 3.733 ( 0.648 0.000 3.410) 3.471 3.766 ( 2.922 0.000 4.182) 5.102 3.948 ( 2.812 0.000 -0.773) 2.917 4.066 ( 3.726 0.000 6.089) 7.139 4.156 ( 3.373 0.000 -0.631) 3.431 4.256 ( 0.602 0.000 8.671) 8.692 4.596 ( 2.220 0.000 0.939) 2.410 4.883 ( -7.353 0.000 1.824) 7.576 4.894 ( 1.075 0.000 0.586) 1.224 5.003 ( 0.454 0.000 -2.211) 2.258 5.220 ( -0.412 0.000 -0.091) 0.421 5.283 ( 1.480 0.000 -3.713) 3.997 5.784 ( 1.208 0.000 -15.226) 15.274 6.255 ( 0.465 0.000 5.671) 5.690 6.552 ( -0.331 0.000 -2.650) 2.670 6.700 ( -0.139 0.000 1.331) 1.338 6.840 ( 2.069 0.000 -1.181) 2.382 6.887 ( 2.773 0.000 3.230) 4.257 7.225 ( -6.736 0.000 -2.908) 7.337 7.405 ( 0.660 0.000 1.645) 1.772 7.543 ( -3.222 0.000 -2.466) 4.057 7.651 ( -5.849 0.000 4.459) 7.355 7.763 ( 1.727 0.000 -3.374) 3.791 7.766 ( 7.535 0.000 -1.657) 7.715 8.149 ( 0.599 0.000 -9.289) 9.308 11.310 ( 0.816 0.000 1.162) 1.420 11.379 ( 0.610 0.000 -0.843) 1.041 11.552 ( -1.253 0.000 6.490) 6.610 12.031 ( -10.236 0.000 -14.690) 17.904 13.213 ( -0.963 0.000 1.606) 1.872 13.239 ( -0.293 0.000 0.204) 0.357 13.505 ( 3.564 0.000 -4.041) 5.389 13.523 ( 1.410 0.000 -1.257) 1.889 14.709 ( 1.322 0.000 2.445) 2.779 14.758 ( 0.239 0.000 -0.342) 0.417 14.866 ( 5.326 0.000 20.957) 21.624 15.684 ( -1.320 0.000 -10.729) 10.810 ======================= Grid point 101 (33/160) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 5.017 0.000 3.904) 6.357 1.038 ( 3.183 0.000 3.055) 4.411 1.209 ( 5.877 0.000 1.719) 6.123 1.224 ( 0.093 0.000 -6.707) 6.708 1.436 ( -6.614 0.000 -8.384) 10.679 1.445 ( -0.261 0.000 6.092) 6.098 1.624 ( 0.254 0.000 2.817) 2.829 1.683 ( 3.619 0.000 -0.912) 3.732 1.810 ( 1.097 0.000 4.079) 4.224 1.860 ( -1.459 0.000 1.055) 1.800 2.086 ( -5.285 0.000 6.952) 8.733 2.203 ( -3.070 0.000 3.106) 4.368 2.375 ( -1.493 0.000 -4.164) 4.424 2.409 ( -0.067 0.000 -5.136) 5.136 2.435 ( 2.952 0.000 4.601) 5.466 2.669 ( 4.355 0.000 -7.541) 8.708 2.672 ( 3.012 0.000 2.198) 3.729 2.723 ( 0.294 0.000 0.434) 0.524 2.851 ( 0.623 0.000 1.644) 1.758 2.909 ( 5.100 0.000 -3.291) 6.069 3.199 ( -3.086 0.000 14.102) 14.436 3.514 ( -2.486 0.000 1.909) 3.134 3.642 ( 4.789 0.000 -0.073) 4.790 3.761 ( -0.274 0.000 0.983) 1.021 3.872 ( 4.926 0.000 3.978) 6.332 3.997 ( 5.833 0.000 -3.451) 6.778 4.200 ( 3.968 0.000 -1.674) 4.306 4.213 ( 6.487 0.000 4.996) 8.188 4.384 ( -2.078 0.000 15.809) 15.945 4.615 ( 0.145 0.000 -2.353) 2.357 4.834 ( -3.357 0.000 5.958) 6.839 4.857 ( -1.368 0.000 -5.250) 5.426 5.063 ( 3.882 0.000 3.910) 5.510 5.201 ( -2.814 0.000 1.590) 3.232 5.233 ( -2.393 0.000 -3.301) 4.077 5.600 ( -2.310 0.000 -16.655) 16.814 6.311 ( -1.284 0.000 5.541) 5.688 6.472 ( -2.530 0.000 -5.744) 6.277 6.755 ( -0.070 0.000 4.382) 4.383 6.845 ( -0.984 0.000 1.414) 1.723 7.002 ( 10.176 0.000 -3.316) 10.703 7.124 ( -1.726 0.000 1.085) 2.038 7.411 ( -2.056 0.000 1.426) 2.502 7.441 ( -5.744 0.000 -2.717) 6.354 7.623 ( -5.088 0.000 6.439) 8.207 7.724 ( 0.946 0.000 -8.304) 8.357 7.860 ( 5.308 0.000 0.462) 5.328 8.054 ( 0.148 0.000 -8.286) 8.287 11.340 ( 1.287 0.000 1.097) 1.691 11.382 ( 0.981 0.000 -0.927) 1.350 11.597 ( -2.993 0.000 7.527) 8.100 11.742 ( -7.244 0.000 -10.506) 12.761 13.221 ( -0.624 0.000 1.682) 1.794 13.228 ( -1.373 0.000 0.378) 1.424 13.485 ( 1.324 0.000 -6.856) 6.983 13.523 ( -0.116 0.000 -0.052) 0.127 14.740 ( 0.777 0.000 0.990) 1.259 14.760 ( 0.457 0.000 -0.295) 0.544 15.208 ( 6.682 0.000 20.990) 22.028 15.552 ( 1.555 0.000 -13.233) 13.324 ======================= Grid point 102 (34/160) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -7.080 0.000 -3.009) 7.693 1.002 ( -6.323 0.000 2.036) 6.643 1.176 ( 0.600 0.000 -5.358) 5.391 1.202 ( -1.050 0.000 -8.219) 8.286 1.471 ( 5.788 0.000 8.640) 10.399 1.500 ( 1.247 0.000 4.530) 4.699 1.630 ( -4.948 0.000 2.585) 5.582 1.667 ( 0.356 0.000 -1.876) 1.910 1.780 ( -2.110 0.000 -2.233) 3.072 1.869 ( 2.391 0.000 -0.933) 2.566 2.107 ( -4.319 0.000 8.061) 9.145 2.186 ( -4.233 0.000 3.822) 5.703 2.286 ( -3.634 0.000 -5.212) 6.354 2.333 ( -1.358 0.000 -5.325) 5.496 2.586 ( 1.949 0.000 2.529) 3.193 2.660 ( -2.489 0.000 -2.927) 3.842 2.749 ( 12.855 0.000 -1.109) 12.903 2.753 ( 1.415 0.000 1.571) 2.115 2.904 ( 2.294 0.000 5.519) 5.977 3.003 ( 13.327 0.000 -5.340) 14.357 3.367 ( 4.532 0.000 12.468) 13.267 3.497 ( 3.129 0.000 -4.715) 5.659 3.677 ( -0.374 0.000 -0.793) 0.877 3.754 ( -0.783 0.000 0.001) 0.783 4.011 ( 6.227 0.000 3.660) 7.223 4.046 ( 6.295 0.000 -5.024) 8.054 4.253 ( 4.826 0.000 -1.310) 5.001 4.351 ( 6.729 0.000 0.579) 6.754 4.522 ( -3.273 0.000 15.690) 16.027 4.545 ( -1.372 0.000 -6.939) 7.074 4.775 ( -0.283 0.000 -6.309) 6.316 4.906 ( -0.048 0.000 9.669) 9.669 5.077 ( -3.729 0.000 -2.681) 4.592 5.138 ( -5.232 0.000 -2.988) 6.025 5.236 ( -2.887 0.000 12.441) 12.772 5.358 ( -4.685 0.000 -15.738) 16.420 6.337 ( -2.298 0.000 4.496) 5.049 6.376 ( -1.817 0.000 -4.711) 5.049 6.739 ( -3.489 0.000 0.114) 3.491 6.846 ( -0.763 0.000 1.310) 1.516 7.106 ( 10.036 0.000 -6.895) 12.176 7.245 ( 7.328 0.000 9.946) 12.354 7.317 ( -6.026 0.000 -2.067) 6.370 7.376 ( -3.807 0.000 1.082) 3.957 7.608 ( -0.366 0.000 -12.867) 12.872 7.633 ( -4.873 0.000 9.090) 10.314 7.940 ( 3.298 0.000 1.557) 3.647 7.982 ( -0.153 0.000 -4.511) 4.514 11.371 ( 1.151 0.000 0.849) 1.431 11.385 ( 0.773 0.000 -1.063) 1.315 11.592 ( -1.347 0.000 -4.519) 4.716 11.621 ( -3.689 0.000 6.194) 7.210 13.208 ( -1.787 0.000 0.702) 1.920 13.227 ( -1.059 0.000 1.757) 2.052 13.413 ( -0.720 0.000 -5.495) 5.542 13.527 ( -0.676 0.000 2.001) 2.112 14.758 ( 0.347 0.000 0.569) 0.667 14.764 ( 0.362 0.000 -0.303) 0.472 15.450 ( 4.376 0.000 -13.082) 13.795 15.491 ( 3.861 0.000 13.482) 14.024 ======================= Grid point 103 (35/160) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -11.543 0.000 2.072) 11.727 0.920 ( -7.876 0.000 6.633) 10.297 1.151 ( 3.008 0.000 -3.151) 4.356 1.190 ( 6.769 0.000 -3.511) 7.626 1.497 ( -10.909 0.000 0.747) 10.934 1.563 ( -0.757 0.000 2.903) 3.000 1.611 ( 1.168 0.000 2.552) 2.807 1.674 ( 4.828 0.000 -3.238) 5.814 1.760 ( 1.008 0.000 -0.169) 1.022 1.904 ( 3.272 0.000 -1.951) 3.809 2.080 ( -7.854 0.000 1.770) 8.051 2.154 ( -4.620 0.000 3.095) 5.561 2.210 ( -0.203 0.000 0.954) 0.976 2.285 ( 0.840 0.000 -1.303) 1.550 2.594 ( 0.499 0.000 -5.717) 5.738 2.614 ( 2.678 0.000 -1.717) 3.181 2.770 ( -0.178 0.000 -0.103) 0.205 2.801 ( -3.917 0.000 0.774) 3.993 3.070 ( 7.523 0.000 2.446) 7.910 3.197 ( 17.104 0.000 -4.389) 17.658 3.495 ( 3.534 0.000 -6.548) 7.441 3.534 ( 5.104 0.000 0.227) 5.109 3.628 ( -3.877 0.000 -1.109) 4.033 3.746 ( -2.269 0.000 1.018) 2.487 4.106 ( 7.317 0.000 -1.969) 7.577 4.111 ( 2.965 0.000 0.702) 3.047 4.310 ( 4.126 0.000 -2.785) 4.978 4.454 ( 5.787 0.000 0.911) 5.858 4.468 ( 1.543 0.000 -4.023) 4.308 4.579 ( -5.773 0.000 5.426) 7.923 4.709 ( -0.065 0.000 -5.868) 5.868 4.946 ( -4.898 0.000 0.041) 4.898 4.981 ( -3.111 0.000 -1.567) 3.484 5.050 ( -3.874 0.000 -0.265) 3.883 5.170 ( 0.397 0.000 -5.077) 5.093 5.299 ( -7.075 0.000 12.350) 14.233 6.326 ( 0.303 0.000 -1.714) 1.741 6.341 ( -2.512 0.000 3.010) 3.921 6.696 ( -0.847 0.000 -1.109) 1.395 6.846 ( -0.578 0.000 0.515) 0.774 7.173 ( 8.401 0.000 -7.287) 11.121 7.228 ( -2.672 0.000 -0.206) 2.680 7.325 ( -3.212 0.000 0.137) 3.215 7.438 ( -2.281 0.000 -9.606) 9.873 7.509 ( 7.756 0.000 10.474) 13.033 7.654 ( -6.453 0.000 10.130) 12.011 7.952 ( 0.489 0.000 -1.171) 1.269 7.994 ( 1.104 0.000 1.663) 1.996 11.385 ( 0.650 0.000 -0.743) 0.987 11.391 ( 0.361 0.000 0.469) 0.592 11.573 ( 1.234 0.000 -0.574) 1.361 11.615 ( -3.743 0.000 3.333) 5.012 13.191 ( -1.434 0.000 0.948) 1.719 13.226 ( -1.192 0.000 1.493) 1.910 13.380 ( 0.765 0.000 0.906) 1.186 13.545 ( -1.557 0.000 4.411) 4.677 14.764 ( 0.252 0.000 -0.624) 0.673 14.764 ( -0.002 0.000 0.121) 0.121 15.410 ( 7.088 0.000 -10.325) 12.523 15.601 ( -1.470 0.000 2.356) 2.777 ======================= Grid point 104 (36/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 2.576 0.000 11.757) 12.036 0.942 ( -2.346 0.000 11.534) 11.770 1.189 ( 3.342 0.000 -0.161) 3.346 1.287 ( 8.021 0.000 -3.013) 8.568 1.350 ( -5.897 0.000 0.825) 5.954 1.532 ( -3.485 0.000 -1.153) 3.671 1.588 ( -3.962 0.000 -2.043) 4.458 1.726 ( 3.775 0.000 -1.214) 3.965 1.795 ( 2.625 0.000 0.616) 2.696 1.916 ( 1.853 0.000 -2.930) 3.467 1.935 ( -6.998 0.000 -4.539) 8.341 2.118 ( -3.106 0.000 1.685) 3.534 2.280 ( 2.426 0.000 6.631) 7.061 2.328 ( 2.495 0.000 3.175) 4.038 2.538 ( 2.524 0.000 -9.200) 9.540 2.632 ( 0.394 0.000 -1.874) 1.915 2.703 ( -3.193 0.000 -5.150) 6.059 2.759 ( 0.010 0.000 -1.060) 1.060 3.123 ( -1.449 0.000 -1.140) 1.844 3.346 ( 3.006 0.000 -6.571) 7.226 3.497 ( 7.466 0.000 -4.505) 8.720 3.504 ( -6.279 0.000 -7.152) 9.517 3.545 ( -3.261 0.000 -0.653) 3.326 3.678 ( -1.076 0.000 -2.707) 2.913 4.130 ( 0.701 0.000 -1.614) 1.760 4.195 ( 3.415 0.000 -0.885) 3.528 4.317 ( 0.829 0.000 -0.487) 0.961 4.441 ( -11.645 0.000 -1.912) 11.801 4.521 ( -1.765 0.000 -0.076) 1.767 4.523 ( 5.001 0.000 1.399) 5.193 4.683 ( 5.241 0.000 -2.284) 5.717 4.856 ( -5.973 0.000 -4.905) 7.729 4.963 ( 1.893 0.000 -1.710) 2.551 4.984 ( 5.071 0.000 0.157) 5.073 5.247 ( 5.382 0.000 2.933) 6.129 5.299 ( -7.324 0.000 9.052) 11.644 6.323 ( -2.923 0.000 1.330) 3.212 6.348 ( 2.571 0.000 1.370) 2.914 6.684 ( 0.235 0.000 -0.444) 0.503 6.842 ( -0.548 0.000 0.527) 0.760 7.189 ( 2.747 0.000 -2.772) 3.903 7.246 ( -3.450 0.000 -9.049) 9.684 7.263 ( 7.187 0.000 -3.398) 7.950 7.313 ( -1.046 0.000 -1.809) 2.090 7.643 ( -9.763 0.000 10.914) 14.643 7.751 ( 4.311 0.000 12.720) 13.430 7.977 ( 2.727 0.000 1.626) 3.175 8.010 ( -1.070 0.000 1.343) 1.717 11.390 ( -0.790 0.000 -0.095) 0.796 11.393 ( 0.854 0.000 -0.057) 0.856 11.580 ( -3.231 0.000 0.657) 3.297 11.595 ( 1.377 0.000 0.890) 1.640 13.186 ( -0.523 0.000 0.918) 1.056 13.225 ( -0.837 0.000 1.221) 1.480 13.469 ( 3.217 0.000 9.064) 9.618 13.571 ( -2.645 0.000 5.968) 6.528 14.760 ( 0.391 0.000 -0.765) 0.860 14.761 ( -0.282 0.000 -0.246) 0.374 15.443 ( 8.711 0.000 -6.631) 10.948 15.496 ( -7.210 0.000 -8.663) 11.271 ======================= Grid point 105 (37/160) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 4.072 0.000 8.622) 9.536 1.066 ( 1.141 0.000 11.233) 11.290 1.217 ( 0.755 0.000 -1.573) 1.745 1.308 ( -0.974 0.000 -4.636) 4.738 1.356 ( 1.389 0.000 2.192) 2.595 1.459 ( -2.342 0.000 0.221) 2.352 1.517 ( 1.176 0.000 -0.525) 1.288 1.755 ( -0.929 0.000 0.618) 1.115 1.813 ( 3.324 0.000 -8.474) 9.103 1.837 ( 0.064 0.000 2.515) 2.516 1.900 ( -0.231 0.000 -2.710) 2.719 2.097 ( -0.692 0.000 0.331) 0.767 2.404 ( 2.812 0.000 6.668) 7.237 2.407 ( 2.982 0.000 1.877) 3.523 2.478 ( 5.154 0.000 -10.872) 12.032 2.507 ( -5.443 0.000 -7.153) 8.988 2.686 ( 4.372 0.000 -5.077) 6.700 2.747 ( -0.052 0.000 -1.562) 1.563 3.027 ( -8.740 0.000 0.036) 8.740 3.222 ( -5.991 0.000 -6.462) 8.812 3.226 ( -14.588 0.000 -6.450) 15.951 3.386 ( -7.230 0.000 -5.160) 8.882 3.665 ( 8.094 0.000 0.083) 8.094 3.690 ( 3.858 0.000 -1.833) 4.271 4.106 ( -1.489 0.000 -1.407) 2.049 4.202 ( -0.366 0.000 -0.572) 0.679 4.209 ( -12.667 0.000 -2.933) 13.002 4.315 ( -3.089 0.000 2.287) 3.843 4.445 ( -6.342 0.000 -0.330) 6.351 4.625 ( 5.305 0.000 2.313) 5.787 4.688 ( -5.138 0.000 -7.086) 8.753 4.778 ( 5.840 0.000 0.410) 5.854 4.981 ( 4.322 0.000 -3.676) 5.674 5.164 ( 8.414 0.000 6.478) 10.619 5.283 ( -5.136 0.000 6.088) 7.965 5.369 ( 10.542 0.000 -2.759) 10.897 6.281 ( -3.086 0.000 -0.080) 3.087 6.428 ( 4.322 0.000 2.839) 5.171 6.691 ( 0.292 0.000 0.771) 0.825 6.844 ( -0.878 0.000 1.842) 2.041 7.086 ( -3.367 0.000 -7.925) 8.610 7.203 ( 3.942 0.000 -6.592) 7.680 7.311 ( 1.708 0.000 -0.832) 1.900 7.338 ( 6.731 0.000 -2.975) 7.359 7.604 ( -10.933 0.000 12.963) 16.958 7.891 ( -0.574 0.000 7.422) 7.444 7.993 ( -2.636 0.000 1.075) 2.847 8.084 ( 5.160 0.000 5.233) 7.350 11.365 ( -1.581 0.000 -0.740) 1.745 11.406 ( 0.403 0.000 0.241) 0.470 11.536 ( -2.473 0.000 -0.301) 2.491 11.656 ( 4.445 0.000 3.145) 5.445 13.195 ( 0.417 0.000 0.916) 1.007 13.229 ( -0.390 0.000 1.239) 1.299 13.590 ( -3.256 0.000 5.935) 6.770 13.653 ( 2.999 0.000 13.977) 14.295 14.751 ( -0.513 0.000 -0.458) 0.687 14.761 ( 0.443 0.000 -0.403) 0.599 15.197 ( -12.083 0.000 -16.967) 20.830 15.526 ( 8.878 0.000 -3.932) 9.710 ======================= Grid point 106 (38/160) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -12.997 0.000 -11.740) 17.514 1.066 ( -13.892 0.000 -6.705) 15.426 1.264 ( 7.194 0.000 8.675) 11.270 1.268 ( -0.352 0.000 5.720) 5.730 1.476 ( 5.642 0.000 1.692) 5.890 1.481 ( -1.293 0.000 4.443) 4.627 1.602 ( 6.123 0.000 4.398) 7.539 1.715 ( -0.195 0.000 -6.946) 6.949 1.836 ( -3.901 0.000 -2.914) 4.870 1.836 ( 0.084 0.000 3.109) 3.110 1.854 ( 3.049 0.000 -1.620) 3.452 2.110 ( 2.728 0.000 -0.939) 2.885 2.363 ( -3.173 0.000 -6.095) 6.872 2.417 ( 4.093 0.000 -8.019) 9.003 2.474 ( -0.484 0.000 3.139) 3.176 2.508 ( 4.959 0.000 -0.987) 5.056 2.685 ( 2.851 0.000 -4.476) 5.307 2.716 ( -0.521 0.000 -2.936) 2.982 2.929 ( -3.746 0.000 3.268) 4.971 3.001 ( -6.988 0.000 -1.796) 7.215 3.048 ( -8.953 0.000 -3.250) 9.525 3.213 ( -6.111 0.000 -5.905) 8.498 3.727 ( 1.878 0.000 -0.348) 1.910 3.736 ( 0.541 0.000 0.418) 0.684 4.006 ( -10.574 0.000 1.016) 10.623 4.061 ( -2.276 0.000 -1.900) 2.964 4.170 ( -4.942 0.000 1.716) 5.231 4.275 ( -3.605 0.000 0.538) 3.645 4.330 ( -6.751 0.000 -1.307) 6.876 4.558 ( -1.721 0.000 -6.076) 6.315 4.738 ( 4.844 0.000 3.140) 5.773 4.848 ( 3.152 0.000 -0.696) 3.228 5.020 ( 3.768 0.000 -1.184) 3.950 5.269 ( -3.344 0.000 3.234) 4.653 5.317 ( 2.281 0.000 6.378) 6.774 5.538 ( 16.207 0.000 -5.791) 17.211 6.229 ( -2.848 0.000 -0.697) 2.932 6.529 ( 4.018 0.000 2.155) 4.560 6.698 ( -0.921 0.000 1.042) 1.390 6.853 ( -1.603 0.000 3.265) 3.637 7.007 ( 2.670 0.000 -3.704) 4.566 7.124 ( -1.528 0.000 -10.899) 11.005 7.338 ( 2.945 0.000 -1.268) 3.206 7.419 ( 5.957 0.000 -0.599) 5.987 7.601 ( -6.619 0.000 10.828) 12.690 7.923 ( -2.796 0.000 3.947) 4.837 7.958 ( -3.017 0.000 1.059) 3.197 8.209 ( 3.574 0.000 3.808) 5.223 11.330 ( -1.567 0.000 -0.763) 1.743 11.407 ( -0.437 0.000 0.114) 0.452 11.500 ( -1.918 0.000 0.274) 1.937 11.820 ( 10.302 0.000 5.216) 11.548 13.217 ( 0.912 0.000 0.924) 1.298 13.240 ( -0.215 0.000 1.701) 1.714 13.597 ( -2.940 0.000 4.018) 4.979 13.846 ( -0.980 0.000 16.943) 16.972 14.733 ( -0.968 0.000 -3.122) 3.269 14.764 ( 0.206 0.000 -0.012) 0.207 14.770 ( -13.608 0.000 -19.536) 23.808 15.623 ( 7.708 0.000 -2.671) 8.158 ======================= Grid point 107 (39/160) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -15.390 0.000 -4.801) 16.121 0.721 ( -19.452 0.000 -6.252) 20.432 1.142 ( -25.266 0.000 4.546) 25.672 1.469 ( 3.460 0.000 4.058) 5.333 1.501 ( -2.609 0.000 3.590) 4.438 1.557 ( 5.796 0.000 -0.426) 5.811 1.593 ( -2.100 0.000 -4.002) 4.520 1.736 ( 5.119 0.000 -3.380) 6.134 1.788 ( 3.038 0.000 6.138) 6.849 1.844 ( 1.102 0.000 -1.250) 1.666 1.923 ( 3.893 0.000 1.105) 4.046 2.158 ( 4.607 0.000 -1.071) 4.730 2.243 ( -4.356 0.000 -6.514) 7.836 2.376 ( -1.099 0.000 -3.979) 4.128 2.572 ( 8.985 0.000 0.912) 9.031 2.573 ( 5.273 0.000 -2.255) 5.735 2.668 ( -0.339 0.000 0.330) 0.473 2.677 ( -3.348 0.000 0.284) 3.360 2.881 ( -8.252 0.000 -0.378) 8.261 2.930 ( -1.782 0.000 4.498) 4.838 3.007 ( 7.220 0.000 -1.527) 7.380 3.084 ( -3.343 0.000 -3.182) 4.615 3.712 ( -3.004 0.000 0.798) 3.108 3.730 ( -1.344 0.000 -0.033) 1.345 3.902 ( -5.648 0.000 2.452) 6.157 3.992 ( -4.111 0.000 -1.915) 4.535 4.095 ( -7.584 0.000 3.936) 8.545 4.204 ( -4.779 0.000 -1.782) 5.101 4.221 ( -4.424 0.000 -1.462) 4.660 4.498 ( 1.502 0.000 -5.437) 5.641 4.842 ( 3.083 0.000 4.436) 5.402 4.868 ( 0.713 0.000 -0.734) 1.024 5.059 ( 0.822 0.000 1.190) 1.446 5.249 ( -1.778 0.000 0.518) 1.852 5.407 ( 3.121 0.000 2.350) 3.907 5.722 ( 12.916 0.000 -2.424) 13.141 6.181 ( -2.567 0.000 0.014) 2.567 6.567 ( -0.421 0.000 -0.365) 0.557 6.714 ( 1.066 0.000 2.371) 2.600 6.860 ( -2.289 0.000 2.506) 3.394 6.953 ( -4.601 0.000 -8.505) 9.670 7.081 ( 9.002 0.000 -1.532) 9.131 7.371 ( 2.692 0.000 -0.841) 2.820 7.496 ( 3.974 0.000 -0.394) 3.994 7.616 ( -3.074 0.000 5.110) 5.963 7.895 ( -4.669 0.000 1.722) 4.976 7.931 ( -1.776 0.000 1.314) 2.209 8.273 ( 1.921 0.000 -0.051) 1.922 11.303 ( -1.245 0.000 -0.075) 1.248 11.398 ( -0.587 0.000 -0.076) 0.592 11.482 ( -1.427 0.000 1.196) 1.862 12.076 ( 14.891 0.000 3.690) 15.342 13.241 ( 0.688 0.000 0.880) 1.117 13.262 ( -0.054 0.000 2.955) 2.956 13.580 ( -1.781 0.000 -1.040) 2.063 13.942 ( -15.906 0.000 17.541) 23.679 14.354 ( -2.202 0.000 -20.833) 20.949 14.718 ( -0.976 0.000 -0.142) 0.986 14.765 ( -0.080 0.000 0.043) 0.091 15.704 ( 5.313 0.000 -1.103) 5.426 ======================= Grid point 108 (40/160) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -11.037 0.000 19.374) 22.297 0.365 ( -20.378 0.000 3.670) 20.706 0.723 ( -35.138 0.000 19.871) 40.367 1.454 ( -5.188 0.000 -0.483) 5.211 1.462 ( -1.519 0.000 -0.392) 1.568 1.548 ( 3.233 0.000 -8.280) 8.889 1.580 ( 0.164 0.000 -2.186) 2.192 1.877 ( 3.885 0.000 2.039) 4.388 1.888 ( 2.531 0.000 1.263) 2.829 1.932 ( 14.831 0.000 1.289) 14.887 1.993 ( 1.942 0.000 3.771) 4.242 2.108 ( -4.255 0.000 0.754) 4.321 2.224 ( 3.544 0.000 1.054) 3.697 2.316 ( -1.142 0.000 -2.026) 2.326 2.514 ( -10.471 0.000 -3.466) 11.030 2.640 ( 4.511 0.000 1.500) 4.754 2.644 ( 0.967 0.000 1.772) 2.019 2.784 ( 4.335 0.000 5.000) 6.617 2.845 ( -1.876 0.000 4.593) 4.962 2.938 ( -1.349 0.000 -2.661) 2.984 3.071 ( 0.350 0.000 7.486) 7.494 3.093 ( 7.990 0.000 -6.980) 10.610 3.689 ( -3.574 0.000 0.818) 3.667 3.691 ( -1.658 0.000 2.101) 2.676 3.832 ( -4.139 0.000 -4.125) 5.844 3.924 ( -2.316 0.000 2.287) 3.255 4.051 ( -4.478 0.000 4.270) 6.188 4.120 ( -1.706 0.000 0.397) 1.751 4.171 ( -1.631 0.000 0.837) 1.833 4.448 ( -1.377 0.000 -4.051) 4.278 4.863 ( -0.762 0.000 0.320) 0.826 4.947 ( 4.392 0.000 5.634) 7.144 5.068 ( -1.063 0.000 0.761) 1.307 5.230 ( -0.270 0.000 -0.857) 0.899 5.416 ( -0.463 0.000 -10.043) 10.054 5.909 ( 8.449 0.000 4.708) 9.673 6.158 ( -1.609 0.000 1.889) 2.482 6.548 ( -0.937 0.000 0.081) 0.940 6.750 ( 0.657 0.000 0.379) 0.758 6.789 ( -0.229 0.000 -3.423) 3.430 6.891 ( -3.589 0.000 4.863) 6.044 7.216 ( 9.569 0.000 -1.895) 9.755 7.397 ( 0.498 0.000 0.281) 0.572 7.521 ( -0.039 0.000 -0.734) 0.735 7.610 ( -0.274 0.000 -1.075) 1.109 7.825 ( -4.777 0.000 0.077) 4.778 7.915 ( -1.654 0.000 -3.476) 3.849 8.274 ( 1.213 0.000 -3.882) 4.067 11.290 ( -0.801 0.000 0.506) 0.947 11.388 ( -0.312 0.000 -0.352) 0.471 11.473 ( -1.154 0.000 0.093) 1.158 12.315 ( 12.893 0.000 -3.776) 13.435 13.251 ( -0.660 0.000 0.641) 0.920 13.326 ( 3.594 0.000 5.522) 6.588 13.469 ( -5.729 0.000 -12.704) 13.936 13.686 ( -19.669 0.000 0.060) 19.669 14.346 ( 5.587 0.000 5.245) 7.663 14.706 ( -0.538 0.000 0.316) 0.624 14.763 ( -0.142 0.000 -0.004) 0.142 15.797 ( 5.200 0.000 5.461) 7.540 ======================= Grid point 109 (41/160) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -9.443 18.282 7.518) 21.906 0.617 ( 1.556 13.829 15.558) 20.874 1.039 ( 2.200 20.049 27.771) 34.322 1.374 ( -1.384 1.345 -6.768) 7.038 1.453 ( -2.198 1.531 -2.623) 3.749 1.495 ( 1.074 -2.271 -6.163) 6.655 1.517 ( 2.763 -0.944 -4.041) 4.986 1.740 ( -0.213 -12.189 -1.114) 12.242 1.873 ( 1.043 -1.572 -3.034) 3.573 1.909 ( -2.071 -2.815 -3.169) 4.718 2.022 ( -1.300 -2.299 2.747) 3.811 2.234 ( 3.339 -2.730 1.537) 4.579 2.320 ( -2.657 2.480 4.611) 5.871 2.432 ( 5.031 -0.863 0.908) 5.184 2.468 ( 2.077 7.958 3.400) 8.899 2.621 ( -0.064 0.375 1.415) 1.465 2.684 ( -0.955 -7.292 -5.432) 9.143 2.766 ( -3.760 1.494 -1.461) 4.301 2.816 ( 1.503 5.276 0.646) 5.524 2.957 ( 0.232 6.741 6.817) 9.590 3.099 ( -1.817 -3.225 13.457) 13.957 3.264 ( 0.657 -0.438 3.158) 3.255 3.660 ( -2.686 -1.286 -6.368) 7.030 3.774 ( 1.723 5.641 1.431) 6.069 3.807 ( 0.253 5.846 1.175) 5.968 3.946 ( -0.371 0.441 0.955) 1.116 4.034 ( -1.716 3.847 2.729) 5.019 4.162 ( 0.452 3.609 0.900) 3.747 4.233 ( -0.628 4.303 1.137) 4.495 4.525 ( 6.800 1.228 4.004) 7.986 4.845 ( 0.204 -1.961 1.042) 2.230 4.932 ( -6.888 -5.243 3.847) 9.473 5.034 ( 1.193 -0.481 -1.213) 1.768 5.121 ( 0.862 -0.421 -2.052) 2.265 5.388 ( -0.133 1.874 -5.092) 5.428 5.875 ( -1.296 -6.650 -7.472) 10.086 6.228 ( 0.972 4.730 2.457) 5.418 6.571 ( 0.994 0.652 1.931) 2.268 6.751 ( -0.369 -0.672 -1.715) 1.879 6.807 ( 0.239 -2.614 0.067) 2.626 6.916 ( 0.041 6.822 4.236) 8.030 7.183 ( 2.325 -9.651 -2.131) 10.153 7.377 ( -3.560 0.372 -4.538) 5.780 7.600 ( 4.348 -1.031 -1.482) 4.708 7.664 ( 4.711 0.941 0.863) 4.881 7.717 ( -9.838 1.476 0.648) 9.969 7.751 ( 0.976 -1.920 0.003) 2.153 8.203 ( 0.854 -2.703 -6.970) 7.525 11.301 ( -0.556 1.616 0.200) 1.720 11.383 ( -1.112 0.187 -0.524) 1.243 11.479 ( 0.359 -0.121 1.818) 1.857 12.157 ( -1.056 -12.779 -10.531) 16.592 13.262 ( -0.180 2.839 0.023) 2.845 13.343 ( -1.405 3.842 -3.537) 5.408 13.483 ( -2.528 -1.748 0.083) 3.074 13.640 ( 1.881 13.739 -7.708) 15.865 14.527 ( 3.605 -0.636 19.079) 19.427 14.714 ( 0.224 0.033 1.302) 1.322 14.764 ( -0.014 0.228 -0.120) 0.258 15.747 ( -1.002 -5.514 -1.535) 5.811 ======================= Grid point 110 (42/160) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 7.300 4.739 12.193) 14.981 0.848 ( 4.039 6.414 16.328) 18.001 1.263 ( -0.142 0.438 -10.019) 10.030 1.359 ( 1.024 1.404 -3.919) 4.287 1.383 ( -0.767 7.966 11.850) 14.299 1.474 ( 2.952 -2.566 -0.612) 3.959 1.590 ( 9.579 5.699 2.370) 11.396 1.707 ( -4.121 -3.135 -3.244) 6.110 1.741 ( -5.087 -4.309 -4.232) 7.897 1.887 ( -1.863 -1.612 0.327) 2.486 2.025 ( -1.541 -3.191 2.863) 4.556 2.262 ( -4.213 4.106 1.938) 6.194 2.283 ( 3.130 -6.780 -1.383) 7.594 2.452 ( -2.594 0.955 1.296) 3.053 2.539 ( -4.997 0.871 -4.437) 6.740 2.588 ( 1.429 2.722 2.671) 4.073 2.678 ( 2.290 -2.761 0.432) 3.613 2.754 ( 3.983 3.893 -1.918) 5.891 2.839 ( 0.411 4.664 2.119) 5.139 2.994 ( -2.670 5.264 2.434) 6.385 3.130 ( -1.134 -1.144 3.565) 3.912 3.415 ( -2.359 -3.204 17.213) 17.667 3.585 ( 1.912 -1.046 -4.073) 4.619 3.769 ( -0.137 4.088 -1.479) 4.349 3.862 ( 2.084 4.834 4.361) 6.836 3.966 ( 1.882 1.963 0.511) 2.767 4.117 ( 5.052 4.553 4.450) 8.128 4.189 ( 3.139 3.476 -0.392) 4.700 4.288 ( 0.603 3.374 7.410) 8.164 4.632 ( 2.845 3.122 1.269) 4.410 4.835 ( -5.813 -4.047 1.248) 7.193 4.885 ( 0.208 -1.656 1.651) 2.348 5.004 ( 0.205 -0.048 -3.302) 3.308 5.173 ( 4.548 -2.341 -0.794) 5.176 5.316 ( -3.005 1.114 -3.266) 4.575 5.707 ( -5.723 -7.085 -9.845) 13.412 6.276 ( -0.361 2.185 5.274) 5.720 6.625 ( 2.635 3.152 0.733) 4.173 6.719 ( -1.478 0.426 -2.303) 2.770 6.838 ( 4.890 -0.008 -2.283) 5.397 6.892 ( -2.558 2.282 3.025) 4.572 7.144 ( -3.431 -5.417 -3.720) 7.413 7.330 ( -2.624 -5.378 2.044) 6.324 7.551 ( -8.900 -1.746 -1.757) 9.238 7.637 ( 1.313 -0.317 2.162) 2.550 7.764 ( 6.057 0.406 -0.590) 6.100 7.814 ( 5.974 3.903 -2.644) 7.610 8.123 ( 0.549 -2.597 -9.051) 9.432 11.306 ( 0.161 0.122 1.077) 1.096 11.385 ( 1.813 0.443 -0.738) 2.007 11.517 ( -0.448 -2.005 4.483) 4.931 11.952 ( -6.635 -6.799 -12.359) 15.588 13.260 ( 0.113 3.185 -0.301) 3.201 13.324 ( 0.750 5.989 -0.814) 6.091 13.491 ( 3.145 -1.193 -3.831) 5.098 13.592 ( 1.127 6.489 -3.610) 7.511 14.711 ( 0.569 0.302 2.711) 2.786 14.760 ( 0.023 0.172 -0.135) 0.220 14.841 ( 3.390 -1.879 20.971) 21.326 15.641 ( -3.774 -3.816 -7.947) 9.590 ======================= Grid point 111 (43/160) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 5.551 0.612 4.945) 7.459 1.078 ( 4.190 2.102 9.665) 10.742 1.181 ( -0.567 -1.973 -0.724) 2.176 1.253 ( -0.786 2.510 -6.680) 7.179 1.421 ( -4.306 0.089 -5.910) 7.313 1.472 ( -3.350 1.651 -0.066) 3.735 1.570 ( 1.587 -4.270 1.450) 4.780 1.702 ( 0.550 -2.765 -0.126) 2.822 1.807 ( 2.457 0.310 2.053) 3.217 1.853 ( -1.546 -0.683 0.362) 1.728 2.021 ( -4.140 -4.241 3.187) 6.730 2.254 ( -2.229 5.187 4.125) 6.992 2.284 ( -0.384 -8.856 -4.314) 9.858 2.401 ( 0.808 1.178 -2.763) 3.111 2.465 ( 1.988 2.904 3.912) 5.263 2.640 ( -0.696 -0.853 0.492) 1.206 2.740 ( 2.978 4.495 3.424) 6.387 2.753 ( 3.398 3.716 -5.710) 7.613 2.909 ( 1.759 3.840 5.125) 6.641 2.952 ( -1.451 3.592 -2.138) 4.425 3.206 ( 1.951 1.198 9.427) 9.701 3.471 ( -0.747 -3.558 0.516) 3.672 3.636 ( 2.160 -0.214 3.845) 4.415 3.777 ( 2.288 1.393 -1.826) 3.242 3.926 ( 0.148 4.055 3.169) 5.149 4.017 ( 4.271 1.611 0.488) 4.591 4.223 ( 4.792 3.301 -2.412) 6.299 4.278 ( 6.967 5.477 3.970) 9.711 4.401 ( -1.504 2.036 14.052) 14.278 4.648 ( -0.181 2.501 -3.912) 4.646 4.775 ( -4.023 -5.159 4.572) 7.982 4.866 ( -1.248 -0.185 -3.058) 3.308 5.040 ( 3.832 -1.969 2.695) 5.082 5.189 ( -4.428 -1.036 0.603) 4.588 5.230 ( -1.948 -0.808 -2.772) 3.483 5.506 ( -4.024 -7.779 -11.782) 14.681 6.324 ( -1.550 1.199 5.764) 6.088 6.555 ( -4.074 5.420 -7.221) 9.906 6.749 ( 0.125 -0.460 4.292) 4.318 6.854 ( -0.742 1.335 2.340) 2.795 6.976 ( 8.889 -2.614 -2.546) 9.609 7.059 ( -0.909 -5.186 -1.389) 5.445 7.301 ( -3.361 -6.233 1.688) 7.279 7.410 ( -5.869 -3.249 -1.896) 6.971 7.680 ( -0.177 4.408 3.381) 5.558 7.809 ( 2.070 5.249 -5.592) 7.944 7.876 ( 5.327 2.076 -0.369) 5.729 8.037 ( 0.794 -1.655 -7.350) 7.576 11.326 ( 0.827 -0.443 1.086) 1.435 11.415 ( 2.684 2.523 -0.576) 3.729 11.556 ( -1.778 -3.217 5.493) 6.610 11.735 ( -4.514 -0.530 -9.232) 10.290 13.257 ( -0.295 2.858 0.106) 2.875 13.323 ( -0.899 7.975 0.442) 8.037 13.465 ( 1.129 -0.917 -5.021) 5.227 13.594 ( 1.278 6.020 -1.685) 6.381 14.735 ( 0.458 -0.480 1.066) 1.256 14.759 ( 0.205 -0.146 -0.303) 0.394 15.134 ( 3.533 -6.886 20.037) 21.480 15.487 ( -1.577 -5.991 -11.250) 12.843 ======================= Grid point 112 (44/160) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -8.535 -0.577 -1.040) 8.617 1.027 ( -7.413 2.610 -3.059) 8.433 1.210 ( -1.611 3.043 -5.374) 6.382 1.243 ( 1.538 4.482 -4.337) 6.424 1.342 ( 3.856 -9.677 7.563) 12.873 1.498 ( -0.361 -0.657 6.229) 6.274 1.607 ( -0.209 -2.247 1.070) 2.498 1.719 ( -1.154 1.012 -0.196) 1.547 1.778 ( -0.648 0.018 -1.542) 1.672 1.836 ( 0.761 -3.156 -0.786) 3.340 1.999 ( -1.989 -6.365 3.295) 7.438 2.225 ( -0.639 -6.286 -3.489) 7.218 2.254 ( -4.642 4.345 3.763) 7.388 2.358 ( -2.410 2.932 -4.352) 5.774 2.585 ( 3.337 0.013 2.157) 3.973 2.628 ( 1.326 -1.227 -1.984) 2.683 2.776 ( 3.348 3.153 -1.772) 4.928 2.827 ( 4.936 4.779 2.373) 7.269 2.962 ( 1.266 4.438 3.261) 5.651 2.994 ( 9.155 -0.480 -0.711) 9.195 3.365 ( 4.685 0.515 5.119) 6.958 3.481 ( 3.841 -1.708 -0.835) 4.285 3.692 ( 0.135 1.028 2.936) 3.113 3.768 ( -0.504 1.157 -2.390) 2.703 3.953 ( 2.417 -2.376 -1.120) 3.569 4.090 ( 3.303 0.542 1.322) 3.599 4.250 ( 3.013 2.471 -3.706) 5.377 4.431 ( 7.161 5.500 2.157) 9.284 4.530 ( -1.584 0.545 8.511) 8.674 4.561 ( -3.143 1.268 -0.396) 3.413 4.748 ( -1.058 -3.153 -4.681) 5.742 4.852 ( -2.399 -5.707 2.730) 6.766 5.064 ( -4.659 -1.248 1.014) 4.929 5.104 ( -4.681 -3.483 0.931) 5.908 5.216 ( -0.637 -0.378 5.001) 5.055 5.335 ( -1.600 -1.663 -10.888) 11.130 6.348 ( -2.756 0.781 4.178) 5.066 6.415 ( -3.926 2.660 -5.084) 6.952 6.743 ( -3.148 0.538 0.622) 3.254 6.854 ( -1.333 0.930 0.877) 1.847 7.074 ( 7.917 -4.121 -3.799) 9.700 7.104 ( 2.774 -9.314 0.280) 9.722 7.290 ( -1.241 -3.603 3.679) 5.297 7.351 ( 0.503 0.392 1.767) 1.879 7.690 ( -0.512 6.909 -3.915) 7.957 7.738 ( -2.820 6.540 -0.584) 7.146 7.950 ( 3.389 0.869 -0.630) 3.555 8.003 ( 1.292 2.313 -1.216) 2.915 11.359 ( 1.825 0.650 1.201) 2.279 11.451 ( 2.046 4.719 -0.276) 5.151 11.567 ( -1.619 -2.470 0.840) 3.071 11.630 ( -1.729 1.340 -0.560) 2.259 13.257 ( -0.581 2.589 1.498) 3.047 13.307 ( -1.646 8.661 0.567) 8.834 13.432 ( 0.082 1.794 -2.850) 3.369 13.580 ( -1.259 5.833 -0.245) 5.973 14.750 ( 0.262 -0.711 0.642) 0.994 14.760 ( 0.294 -0.440 -0.289) 0.603 15.337 ( 2.431 -11.602 -3.513) 12.363 15.383 ( 1.116 -10.050 3.993) 10.872 ======================= Grid point 113 (45/160) ======================= q-point: ( 0.40 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -10.495 1.331 2.792) 10.941 0.891 ( -7.776 -1.977 4.195) 9.054 1.167 ( 4.177 2.290 -4.118) 6.296 1.257 ( 3.244 5.736 -1.554) 6.771 1.435 ( -1.117 -8.122 2.035) 8.447 1.520 ( -4.079 -0.532 2.130) 4.632 1.589 ( -3.813 0.147 2.913) 4.801 1.670 ( 0.927 -4.416 -3.591) 5.767 1.786 ( 2.636 1.944 -0.830) 3.379 1.882 ( 3.987 -2.081 -1.109) 4.632 2.010 ( -4.215 -5.386 4.808) 8.360 2.160 ( -4.672 -1.560 -1.855) 5.263 2.218 ( 1.171 1.805 -0.110) 2.154 2.304 ( -1.734 2.561 1.356) 3.377 2.592 ( 0.437 2.136 -3.527) 4.146 2.631 ( 3.124 0.555 -3.846) 4.986 2.795 ( -1.292 3.035 1.572) 3.654 2.892 ( -0.425 5.762 -0.503) 5.800 3.044 ( 7.214 -2.476 0.952) 7.686 3.201 ( 14.670 0.097 -1.471) 14.744 3.421 ( 5.714 -5.347 -5.864) 9.778 3.534 ( 0.985 -0.424 -0.899) 1.399 3.662 ( -5.268 1.322 -2.566) 6.007 3.759 ( -2.048 1.077 3.115) 3.880 3.985 ( 4.717 -6.662 -2.353) 8.495 4.149 ( 1.108 -4.298 2.642) 5.165 4.236 ( 1.715 0.224 -5.146) 5.429 4.461 ( 0.302 -0.357 -4.234) 4.260 4.550 ( 2.999 3.880 1.317) 5.077 4.601 ( -3.795 1.491 3.634) 5.462 4.663 ( -0.892 -3.960 -6.929) 8.031 4.778 ( -4.288 -9.751 1.263) 10.727 4.995 ( -4.417 -0.957 -3.790) 5.898 5.114 ( 1.542 3.778 6.630) 7.786 5.204 ( -0.999 2.477 -5.975) 6.544 5.285 ( -3.077 -0.261 8.628) 9.164 6.314 ( -1.200 -0.485 -2.248) 2.594 6.357 ( -2.874 0.344 2.741) 3.987 6.703 ( -0.972 0.792 -1.246) 1.767 6.843 ( -0.842 -0.203 0.313) 0.921 7.097 ( 0.940 -7.442 -3.829) 8.422 7.129 ( 3.660 -6.034 -3.167) 7.735 7.317 ( 0.929 0.596 3.040) 3.234 7.463 ( 1.307 0.350 4.296) 4.504 7.612 ( 2.426 8.999 -2.381) 9.619 7.733 ( -4.493 5.844 6.384) 9.752 7.968 ( 1.624 1.861 -1.024) 2.674 8.038 ( 0.658 4.054 2.312) 4.713 11.402 ( 2.173 2.381 0.369) 3.244 11.450 ( -0.847 4.544 -1.736) 4.937 11.574 ( 1.800 0.457 1.354) 2.298 11.620 ( -2.711 1.186 3.169) 4.336 13.271 ( -1.128 3.898 2.434) 4.732 13.289 ( -1.226 8.867 0.567) 8.970 13.415 ( 0.596 3.685 0.664) 3.791 13.569 ( -1.887 3.131 3.263) 4.900 14.757 ( -0.077 -0.725 0.154) 0.746 14.760 ( 0.274 -0.411 -0.531) 0.725 15.288 ( 5.797 -12.217 -9.987) 16.811 15.447 ( -2.329 -15.235 2.034) 15.546 ======================= Grid point 114 (46/160) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 1.604 2.163 11.683) 11.990 0.921 ( 0.308 -1.663 11.446) 11.571 1.220 ( 4.389 2.943 -0.461) 5.305 1.293 ( 3.920 0.538 -3.906) 5.560 1.360 ( -5.559 -0.085 0.176) 5.562 1.476 ( -2.785 -5.219 -0.745) 5.963 1.549 ( -3.400 0.650 -0.520) 3.500 1.667 ( 2.269 -7.416 -1.981) 8.005 1.824 ( 2.699 -0.324 -1.642) 3.176 1.882 ( -2.935 0.921 -2.807) 4.165 1.955 ( -2.301 -1.170 -0.181) 2.588 2.103 ( -0.610 -1.409 -0.165) 1.544 2.291 ( 0.163 0.791 4.790) 4.858 2.322 ( 2.995 0.279 3.514) 4.626 2.535 ( 1.431 1.765 -9.033) 9.314 2.647 ( 2.722 1.379 -2.115) 3.713 2.755 ( -4.145 4.574 -2.433) 6.635 2.847 ( -0.281 6.459 -3.050) 7.148 3.111 ( -0.924 -1.551 -1.623) 2.428 3.307 ( 2.168 -4.108 -5.286) 7.037 3.467 ( -7.326 -3.305 -7.639) 11.088 3.492 ( 6.579 -2.066 -2.641) 7.384 3.545 ( 0.604 0.912 -0.620) 1.257 3.706 ( -3.112 1.976 -1.766) 4.087 4.051 ( 4.478 -8.238 -0.936) 9.422 4.160 ( -4.363 -8.538 3.247) 10.123 4.203 ( 2.130 -0.490 -5.862) 6.256 4.439 ( 1.043 -0.757 -4.230) 4.422 4.499 ( -2.689 -6.431 -4.061) 8.067 4.540 ( -3.903 1.817 0.893) 4.396 4.689 ( 6.755 -0.515 -0.661) 6.807 4.771 ( -0.180 -6.399 0.845) 6.457 4.912 ( -2.399 3.749 -1.461) 4.685 5.122 ( 0.788 4.909 -2.633) 5.626 5.242 ( 1.764 0.574 5.116) 5.442 5.324 ( -1.906 1.775 6.134) 6.664 6.292 ( -0.773 -2.232 -0.352) 2.389 6.361 ( 0.981 0.084 1.797) 2.049 6.683 ( 0.030 -0.069 -1.212) 1.214 6.839 ( -0.108 -0.520 0.527) 0.748 7.067 ( 0.319 -5.883 -3.450) 6.828 7.135 ( 1.656 -6.704 -3.017) 7.536 7.375 ( -0.233 6.597 -2.027) 6.905 7.411 ( 0.257 5.093 0.446) 5.119 7.696 ( -6.467 4.072 6.392) 9.963 7.787 ( 4.701 3.093 10.521) 11.932 7.999 ( 2.150 2.748 1.200) 3.690 8.055 ( -1.517 4.288 2.143) 5.028 11.405 ( -1.959 1.576 -1.580) 2.969 11.429 ( 1.626 2.317 -1.308) 3.118 11.603 ( -3.312 3.495 2.654) 5.498 11.634 ( 2.007 4.217 3.358) 5.752 13.258 ( -1.831 4.785 0.602) 5.159 13.287 ( -0.079 7.633 0.967) 7.695 13.492 ( 2.180 2.137 7.710) 8.293 13.593 ( -1.071 3.059 5.679) 6.539 14.752 ( -0.245 -0.768 -0.329) 0.871 14.757 ( 0.237 -0.415 -0.650) 0.806 15.309 ( 7.722 -13.464 -6.699) 16.905 15.340 ( -6.203 -15.484 -8.240) 18.604 ======================= Grid point 115 (47/160) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 3.146 -0.026 9.958) 10.443 1.098 ( 3.163 3.270 9.642) 10.661 1.190 ( -5.276 -5.309 -5.794) 9.465 1.287 ( 0.837 0.294 -0.001) 0.887 1.355 ( 2.281 1.526 3.608) 4.533 1.443 ( -0.081 -2.258 -0.504) 2.315 1.503 ( 1.280 0.402 -0.913) 1.623 1.687 ( 2.201 -9.616 -2.827) 10.262 1.762 ( -0.882 -0.400 -4.168) 4.279 1.856 ( -1.367 1.468 1.809) 2.701 1.947 ( 2.044 1.534 -2.918) 3.879 2.110 ( 1.272 1.163 -0.041) 1.724 2.324 ( -0.179 -5.276 3.372) 6.264 2.421 ( 3.370 0.244 -2.746) 4.354 2.461 ( 2.850 1.733 -5.850) 6.734 2.632 ( -2.504 4.555 -7.800) 9.373 2.662 ( 1.696 1.675 -1.675) 2.913 2.821 ( -0.420 5.011 -3.232) 5.978 2.997 ( -8.490 -2.711 -1.703) 9.073 3.170 ( -14.790 -3.481 -0.954) 15.224 3.260 ( -2.615 1.682 -9.319) 9.823 3.423 ( -6.436 2.806 -3.342) 7.776 3.626 ( 4.108 -2.066 -0.455) 4.620 3.732 ( 7.156 2.476 -1.026) 7.641 4.059 ( -3.236 -5.939 -0.378) 6.774 4.071 ( -5.721 -8.117 -2.509) 10.243 4.193 ( 1.378 0.571 -1.333) 2.001 4.374 ( -1.707 1.225 -4.254) 4.745 4.467 ( -2.862 1.741 2.567) 4.221 4.538 ( 3.935 -5.961 -0.753) 7.182 4.747 ( -2.439 3.590 -0.946) 4.442 4.822 ( 10.649 -4.262 -2.361) 11.711 4.881 ( -0.637 -1.234 1.519) 2.058 5.143 ( 2.369 -1.918 0.997) 3.207 5.295 ( -1.203 1.552 4.553) 4.958 5.373 ( 3.715 0.207 -0.417) 3.744 6.262 ( -1.935 -1.835 -0.984) 2.842 6.435 ( 5.527 -0.534 1.258) 5.693 6.679 ( 0.258 -1.322 0.145) 1.355 6.852 ( 0.065 0.375 1.303) 1.357 7.020 ( -1.333 -3.016 -3.446) 4.769 7.117 ( 1.112 -6.481 -4.191) 7.798 7.307 ( -1.242 4.479 -1.572) 4.907 7.491 ( 4.917 6.655 -0.071) 8.275 7.632 ( -10.338 2.933 8.093) 13.452 7.957 ( 1.484 4.497 8.494) 9.725 8.022 ( -2.577 3.050 1.139) 4.152 8.082 ( 2.956 0.883 3.821) 4.911 11.361 ( -1.967 0.088 -0.704) 2.091 11.429 ( 0.794 0.721 -1.814) 2.107 11.578 ( -3.398 5.542 2.502) 6.966 11.714 ( 3.275 5.756 4.224) 7.855 13.246 ( -0.299 4.419 0.384) 4.446 13.312 ( 1.140 7.709 1.973) 8.039 13.584 ( -1.814 -0.434 7.344) 7.577 13.691 ( 2.067 4.162 10.207) 11.215 14.742 ( -0.530 -0.820 -0.375) 1.046 14.756 ( 0.386 -0.542 -0.449) 0.803 15.058 ( -10.673 -13.914 -16.455) 24.047 15.393 ( 9.147 -13.067 -4.191) 16.492 ======================= Grid point 116 (48/160) ======================= q-point: (-0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -11.852 0.659 -11.802) 16.739 0.988 ( -14.035 -2.970 -1.406) 14.414 1.263 ( 5.889 -0.188 6.981) 9.136 1.353 ( 3.115 5.524 5.189) 8.194 1.433 ( 0.764 -2.403 2.036) 3.241 1.504 ( 3.864 0.277 1.635) 4.205 1.586 ( 7.037 -1.455 4.784) 8.633 1.657 ( 0.935 -5.973 -3.939) 7.216 1.759 ( -0.407 -3.203 -2.674) 4.193 1.844 ( -1.934 1.020 2.247) 3.136 1.936 ( 1.182 4.172 -3.487) 5.564 2.138 ( 2.601 2.473 -0.894) 3.699 2.350 ( 2.285 -1.996 -5.167) 5.992 2.378 ( 1.379 -3.806 -2.468) 4.741 2.465 ( -0.005 0.511 -1.899) 1.967 2.550 ( 0.392 -0.095 -3.119) 3.145 2.660 ( -0.123 -0.293 -1.468) 1.501 2.738 ( -2.536 3.821 -4.506) 6.430 2.890 ( -2.582 -2.917 -3.243) 5.069 2.959 ( -9.454 -0.161 1.518) 9.576 3.135 ( -4.111 5.475 -4.254) 8.061 3.298 ( -3.839 5.234 -2.522) 6.964 3.664 ( -0.192 -3.145 1.714) 3.587 3.808 ( 3.303 3.925 -1.491) 5.342 3.945 ( -6.067 -4.325 0.233) 7.454 4.007 ( -3.102 -4.218 -0.952) 5.321 4.193 ( -1.185 2.510 0.470) 2.815 4.325 ( -0.569 3.330 -2.195) 4.029 4.404 ( -8.064 6.792 1.763) 10.690 4.566 ( 0.700 -3.038 -4.832) 5.751 4.736 ( 2.172 2.544 2.964) 4.469 4.869 ( 0.752 1.430 -0.381) 1.660 5.001 ( 8.947 -2.543 0.031) 9.301 5.203 ( 2.358 -8.586 3.483) 9.561 5.329 ( -0.291 0.730 4.587) 4.654 5.416 ( 6.489 -7.127 -6.164) 11.441 6.217 ( -1.626 -0.933 -1.637) 2.489 6.532 ( 5.756 -1.290 -1.247) 6.029 6.695 ( 0.237 -1.555 1.759) 2.360 6.839 ( -2.612 0.232 -0.277) 2.637 6.999 ( 2.626 -0.215 -0.427) 2.669 7.069 ( -0.996 -3.554 -5.128) 6.318 7.302 ( 0.946 -0.646 0.279) 1.179 7.526 ( 2.829 6.692 -4.036) 8.311 7.595 ( -6.898 0.137 10.311) 12.407 7.974 ( -4.326 2.078 1.112) 4.927 8.014 ( -2.500 7.138 3.971) 8.543 8.184 ( 3.301 -2.516 3.547) 5.460 11.328 ( -1.622 0.243 0.024) 1.640 11.420 ( 0.300 -0.032 -1.165) 1.204 11.553 ( -3.414 6.029 2.725) 7.445 11.841 ( 6.836 2.411 4.588) 8.578 13.255 ( 0.732 4.850 0.368) 4.918 13.364 ( 1.460 9.140 3.366) 9.849 13.625 ( -0.729 3.308 4.250) 5.435 13.834 ( -2.231 -0.823 14.647) 14.839 14.661 ( -11.353 -10.508 -21.146) 26.200 14.729 ( -0.587 -0.587 -0.635) 1.045 14.762 ( 0.157 -0.411 -0.429) 0.615 15.492 ( 8.304 -12.418 -3.318) 15.302 ======================= Grid point 117 (49/160) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -11.446 7.303 -2.238) 13.761 0.720 ( -16.665 4.504 0.240) 17.265 1.313 ( -12.761 10.837 0.766) 16.760 1.439 ( 4.026 -5.142 3.669) 7.491 1.469 ( 0.336 -0.735 1.976) 2.134 1.533 ( -2.097 -1.742 -2.390) 3.626 1.625 ( -0.076 4.525 -1.873) 4.898 1.682 ( 1.320 -7.244 -1.849) 7.592 1.765 ( 6.929 -2.700 2.641) 7.892 1.848 ( 0.460 0.273 3.698) 3.736 1.929 ( 2.483 2.361 -2.944) 4.518 2.159 ( 0.986 2.569 -1.254) 3.024 2.276 ( -2.533 2.267 -5.545) 6.504 2.395 ( 1.954 -4.236 -1.787) 4.995 2.495 ( 3.106 -1.927 0.081) 3.656 2.588 ( 5.773 -2.532 0.667) 6.339 2.633 ( -1.326 -1.218 1.748) 2.509 2.677 ( -0.416 4.424 -2.441) 5.070 2.825 ( -0.737 -5.150 -0.194) 5.206 2.902 ( -1.994 2.314 -0.165) 3.059 3.055 ( -2.652 6.552 -0.252) 7.073 3.259 ( 1.306 5.741 -1.470) 6.069 3.670 ( -1.424 -1.965 2.988) 3.849 3.813 ( 0.557 5.093 -2.125) 5.546 3.891 ( -3.105 -0.636 2.337) 3.937 3.946 ( -3.991 -2.999 -0.270) 5.000 4.160 ( -4.576 5.469 0.815) 7.177 4.267 ( -4.052 5.005 -2.098) 6.773 4.279 ( -7.508 6.024 0.447) 9.636 4.513 ( 0.827 0.756 -5.416) 5.531 4.824 ( 2.885 -1.570 2.629) 4.207 4.873 ( 0.003 0.278 0.906) 0.948 5.074 ( -0.099 0.963 1.281) 1.605 5.253 ( -1.355 0.511 0.634) 1.581 5.404 ( 2.639 -0.383 1.217) 2.931 5.504 ( 14.503 -18.848 -0.746) 23.794 6.182 ( -0.804 0.817 -0.989) 1.514 6.565 ( 1.130 -0.859 -2.276) 2.683 6.717 ( 0.844 -1.456 0.383) 1.726 6.800 ( -1.350 -1.453 -0.498) 2.045 6.971 ( -5.107 2.405 -2.069) 6.012 7.080 ( 7.580 -3.679 -1.650) 8.586 7.340 ( 2.594 -0.897 1.859) 3.315 7.543 ( 3.512 2.624 -1.951) 4.799 7.598 ( -3.893 -0.215 4.924) 6.280 7.909 ( -5.163 -0.473 0.229) 5.190 7.983 ( -5.480 5.985 1.897) 8.333 8.244 ( 1.880 -2.883 -0.015) 3.441 11.311 ( -1.029 1.193 0.650) 1.704 11.415 ( 0.018 0.190 -0.186) 0.266 11.529 ( -3.307 4.766 2.341) 6.256 12.020 ( 10.054 -4.550 2.554) 11.327 13.269 ( 0.206 4.811 0.446) 4.836 13.423 ( 0.743 8.798 3.555) 9.518 13.647 ( 0.631 8.141 -1.141) 8.245 13.909 ( -14.148 -2.955 17.258) 22.510 14.289 ( -1.064 -6.321 -20.511) 21.489 14.714 ( -0.638 -0.364 -0.188) 0.758 14.765 ( 0.105 -0.087 0.040) 0.142 15.577 ( 6.361 -10.774 -1.809) 12.642 ======================= Grid point 118 (50/160) ======================= q-point: (-0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -0.718 18.763 10.523) 21.524 0.562 ( -9.914 12.879 14.833) 22.004 1.007 ( -23.954 21.512 6.871) 32.921 1.430 ( -1.907 -1.192 0.379) 2.281 1.507 ( 0.431 0.311 -1.496) 1.587 1.522 ( 1.061 -1.888 -2.065) 2.992 1.552 ( 1.007 0.594 -7.802) 7.889 1.733 ( 2.044 -13.666 0.645) 13.834 1.873 ( 3.330 -1.845 -2.803) 4.728 1.904 ( 5.043 -0.566 0.654) 5.117 1.980 ( 2.787 -0.958 2.170) 3.660 2.150 ( -0.453 6.073 5.049) 7.911 2.219 ( 1.200 -2.242 -1.169) 2.799 2.412 ( 2.266 3.468 -0.280) 4.152 2.507 ( -6.580 0.093 1.511) 6.752 2.579 ( 1.811 0.398 -2.307) 2.960 2.657 ( 5.082 -2.236 -0.889) 5.623 2.768 ( 4.213 0.400 3.015) 5.196 2.869 ( 0.541 -1.146 1.791) 2.194 2.903 ( -2.334 3.619 9.077) 10.047 2.992 ( -5.612 2.733 1.525) 6.426 3.275 ( 3.719 2.318 -5.233) 6.826 3.706 ( 2.034 0.907 2.436) 3.300 3.768 ( -2.122 3.894 -3.729) 5.794 3.847 ( -4.227 1.646 -2.136) 5.014 3.921 ( 0.271 1.110 2.636) 2.873 4.084 ( -6.049 3.858 3.981) 8.205 4.169 ( -4.061 5.290 -1.146) 6.767 4.240 ( 0.534 4.918 0.579) 4.981 4.456 ( -1.210 0.927 -2.939) 3.310 4.842 ( -0.735 -2.266 0.474) 2.429 4.923 ( 0.569 -1.834 4.772) 5.144 5.056 ( -2.278 -1.305 -0.414) 2.658 5.189 ( -4.835 -1.213 -1.468) 5.196 5.423 ( 3.153 -0.632 -5.267) 6.172 5.798 ( 14.269 -10.845 4.349) 18.443 6.183 ( 1.475 4.422 0.967) 4.761 6.552 ( -0.649 0.059 0.827) 1.052 6.741 ( 2.734 -1.072 1.506) 3.300 6.785 ( 0.435 0.013 -0.964) 1.058 6.884 ( -4.195 1.917 0.446) 4.634 7.164 ( 5.059 -8.368 -2.810) 10.174 7.424 ( 4.709 2.667 0.876) 5.482 7.547 ( -0.551 1.577 -1.566) 2.289 7.616 ( 3.645 0.025 -0.688) 3.709 7.804 ( -7.695 -4.369 -0.548) 8.865 7.884 ( -8.873 2.923 0.360) 9.349 8.247 ( 1.185 -2.815 -3.738) 4.827 11.308 ( -0.450 2.029 0.477) 2.133 11.413 ( -0.971 0.572 0.516) 1.239 11.492 ( -2.752 1.945 -0.444) 3.399 12.173 ( 8.260 -11.609 -3.367) 14.640 13.268 ( -0.856 3.804 0.501) 3.932 13.431 ( -1.959 2.417 -2.608) 4.060 13.596 ( -6.573 1.538 -1.240) 6.863 13.729 ( -7.307 13.910 -6.446) 16.983 14.295 ( 5.176 -4.683 8.457) 10.965 14.707 ( -0.306 0.093 0.313) 0.447 14.765 ( -0.041 0.131 -0.022) 0.139 15.676 ( 5.367 -7.614 3.666) 10.011 ======================= Grid point 119 (51/160) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -5.656 9.247 5.695) 12.245 0.891 ( -3.380 13.238 4.179) 14.288 1.308 ( 0.069 1.659 7.283) 7.470 1.371 ( -0.148 -1.505 -6.295) 6.474 1.428 ( 1.813 -3.452 -5.574) 6.802 1.474 ( -1.115 1.843 0.036) 2.154 1.545 ( 4.184 2.682 -0.492) 4.994 1.584 ( 1.133 -0.473 -1.298) 1.786 1.807 ( -0.311 -5.152 1.150) 5.288 1.851 ( -2.673 -3.872 -2.620) 5.386 2.015 ( -0.154 -0.522 0.283) 0.613 2.143 ( 3.789 -5.229 0.651) 6.491 2.354 ( -2.403 0.839 0.347) 2.569 2.423 ( 2.987 3.531 6.370) 7.873 2.572 ( 1.241 3.031 5.572) 6.463 2.651 ( -2.533 0.961 -2.702) 3.826 2.693 ( 3.351 8.869 -0.675) 9.505 2.822 ( -3.062 3.811 3.882) 6.243 2.940 ( -0.950 5.963 1.093) 6.136 3.003 ( -2.058 -4.508 14.047) 14.895 3.150 ( -0.243 6.506 -2.300) 6.905 3.286 ( 1.037 6.976 3.449) 7.851 3.621 ( -1.520 -2.657 -5.324) 6.141 3.881 ( 1.815 1.663 0.736) 2.569 3.899 ( 2.745 6.310 2.344) 7.269 3.982 ( -1.036 3.526 1.458) 3.954 4.137 ( -3.176 7.580 1.710) 8.395 4.260 ( 0.482 6.228 1.221) 6.365 4.338 ( -0.726 6.551 0.610) 6.619 4.557 ( 6.626 1.948 5.105) 8.588 4.788 ( 0.077 -3.910 0.944) 4.024 4.841 ( -5.184 -5.129 1.736) 7.497 5.013 ( 0.936 -2.112 -1.742) 2.893 5.138 ( 0.363 1.709 -3.094) 3.554 5.367 ( -0.081 -3.550 -3.814) 5.211 5.661 ( -0.898 -14.575 -1.462) 14.675 6.342 ( -0.124 6.404 -0.019) 6.405 6.571 ( 1.685 -0.415 2.074) 2.705 6.726 ( -1.779 -1.542 -2.391) 3.355 6.762 ( 2.344 -2.193 -0.867) 3.325 6.958 ( -2.933 -3.637 2.529) 5.312 7.080 ( 4.479 0.437 7.853) 9.051 7.412 ( -0.449 3.254 -9.360) 9.919 7.546 ( -4.290 -3.553 -1.145) 5.687 7.616 ( 1.476 -3.823 -0.415) 4.119 7.734 ( 1.224 1.271 2.214) 2.831 7.794 ( -1.027 3.012 -2.535) 4.069 8.127 ( 0.617 -5.049 -6.320) 8.112 11.348 ( -0.968 2.877 -0.974) 3.188 11.391 ( -2.016 0.727 -0.181) 2.151 11.494 ( 0.249 1.527 -0.003) 1.548 11.911 ( 0.262 -11.513 -7.108) 13.533 13.287 ( -0.464 0.337 0.413) 0.706 13.387 ( -0.025 -0.158 -2.757) 2.761 13.464 ( -0.752 1.164 -1.602) 2.118 13.841 ( 0.103 3.585 -15.337) 15.751 14.600 ( 2.104 10.123 23.135) 25.341 14.719 ( -0.030 0.700 0.625) 0.939 14.765 ( -0.021 -0.123 -0.081) 0.149 15.633 ( 0.273 -6.768 0.847) 6.827 ======================= Grid point 120 (52/160) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.927 5.733 6.802) 9.102 0.969 ( -0.209 5.705 9.532) 11.111 1.261 ( -1.812 0.248 -6.996) 7.231 1.355 ( 0.480 -1.179 -2.189) 2.532 1.379 ( 1.513 -7.043 -3.042) 7.819 1.470 ( 0.026 2.163 0.801) 2.307 1.570 ( -0.488 -5.972 -0.137) 5.993 1.664 ( -0.663 -1.666 -3.209) 3.676 1.755 ( 1.830 3.329 1.006) 3.930 1.837 ( -0.502 -3.158 0.809) 3.298 2.002 ( -0.968 -1.383 -0.456) 1.749 2.162 ( 1.061 -3.011 -3.492) 4.731 2.361 ( -0.437 1.450 4.961) 5.187 2.499 ( -3.416 4.470 2.529) 6.168 2.565 ( -3.920 2.512 -0.941) 4.750 2.638 ( -1.223 4.328 5.409) 7.034 2.746 ( 0.649 8.481 4.262) 9.514 2.823 ( 3.610 4.877 -1.303) 6.207 2.948 ( -0.033 5.389 3.088) 6.211 3.039 ( -5.160 -1.890 3.921) 6.751 3.159 ( 1.973 4.013 1.464) 4.705 3.377 ( -0.537 1.507 8.463) 8.613 3.584 ( 1.665 -0.001 0.089) 1.667 3.866 ( -5.049 4.962 -0.965) 7.145 3.936 ( 0.973 3.811 4.087) 5.672 4.000 ( 2.067 1.346 1.478) 2.876 4.227 ( 7.418 6.667 3.732) 10.649 4.287 ( 2.462 6.262 -0.083) 6.729 4.379 ( 1.193 5.692 4.688) 7.470 4.688 ( 0.515 1.122 3.999) 4.186 4.733 ( -5.270 -5.466 -1.473) 7.734 4.835 ( 1.721 -3.233 1.816) 4.088 4.988 ( 0.206 -2.160 -3.288) 3.940 5.152 ( 4.954 -0.070 -2.507) 5.553 5.292 ( -4.951 -3.902 -3.199) 7.069 5.533 ( -8.763 -10.217 -3.951) 14.029 6.332 ( -2.558 3.331 3.675) 5.581 6.631 ( 1.701 -2.699 0.975) 3.336 6.681 ( -1.086 -1.958 0.080) 2.241 6.818 ( 6.629 -2.025 -2.081) 7.237 6.919 ( -4.368 -0.319 2.726) 5.159 7.149 ( -5.721 2.568 3.555) 7.209 7.267 ( -1.463 1.974 -8.136) 8.499 7.490 ( -8.389 -3.365 -1.845) 9.225 7.616 ( 7.335 -2.151 1.811) 7.856 7.791 ( 4.666 2.287 0.272) 5.203 7.880 ( 9.377 2.280 -3.053) 10.122 8.051 ( 0.230 -4.761 -8.249) 9.527 11.325 ( -0.506 1.697 -0.167) 1.779 11.389 ( 1.878 -0.037 0.045) 1.879 11.511 ( 0.834 1.392 0.605) 1.732 11.818 ( -0.342 -6.296 -8.662) 10.714 13.302 ( 1.763 1.426 -0.885) 2.434 13.402 ( 4.474 1.451 -2.099) 5.151 13.471 ( 2.451 -0.238 -1.696) 2.991 13.704 ( 1.317 2.695 -9.149) 9.628 14.723 ( -0.642 0.620 1.102) 1.418 14.763 ( -0.110 -0.099 -0.245) 0.286 14.846 ( -2.836 4.203 21.977) 22.554 15.552 ( -7.750 -5.362 -3.391) 10.016 ======================= Grid point 121 (53/160) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 4.701 1.209 7.438) 8.882 1.006 ( -5.363 -7.525 3.802) 9.992 1.207 ( -0.214 3.774 -1.185) 3.962 1.302 ( 1.176 2.512 -4.278) 5.098 1.424 ( 1.743 -8.703 0.884) 8.920 1.470 ( -0.051 3.140 -1.147) 3.343 1.498 ( -6.571 -0.356 -4.823) 8.159 1.599 ( 1.229 -5.527 4.698) 7.357 1.784 ( -0.711 -2.015 -2.754) 3.486 1.849 ( 1.389 0.199 -1.063) 1.760 1.975 ( -2.291 -0.843 -0.619) 2.519 2.114 ( -1.312 -7.332 -4.236) 8.569 2.376 ( -4.324 3.313 0.895) 5.520 2.434 ( 0.841 1.699 1.297) 2.297 2.567 ( -1.019 9.744 3.085) 10.271 2.645 ( -2.645 2.573 2.555) 4.488 2.794 ( 0.335 1.684 2.953) 3.416 2.887 ( 3.314 7.471 0.612) 8.196 2.984 ( -3.148 1.771 1.022) 3.754 3.006 ( 0.590 4.464 3.611) 5.772 3.256 ( 5.894 3.540 5.950) 9.093 3.414 ( 0.411 -1.362 -0.137) 1.429 3.642 ( -0.105 0.642 5.707) 5.744 3.814 ( 0.818 2.576 -2.540) 3.708 3.973 ( -2.074 0.032 0.604) 2.160 4.047 ( 0.583 1.263 4.489) 4.700 4.323 ( 4.218 6.506 -2.214) 8.064 4.402 ( 6.194 6.402 5.590) 10.516 4.457 ( -0.534 3.188 8.168) 8.784 4.605 ( -8.327 -9.010 1.276) 12.335 4.702 ( -0.901 -1.547 -1.317) 2.222 4.834 ( -2.136 -2.990 -3.083) 4.796 5.009 ( 4.395 -0.749 0.354) 4.473 5.137 ( -10.270 -4.483 -0.739) 11.230 5.208 ( 4.295 -0.284 -1.729) 4.639 5.378 ( -3.370 -4.831 -5.615) 8.138 6.343 ( -3.019 0.466 5.521) 6.310 6.567 ( -4.954 -3.937 -3.974) 7.472 6.732 ( 1.001 -1.866 4.169) 4.676 6.902 ( 0.142 0.074 1.446) 1.455 6.910 ( 5.129 -0.851 -0.569) 5.230 7.028 ( -5.781 3.129 -4.054) 7.723 7.227 ( 1.296 -1.053 -1.002) 1.947 7.369 ( -2.055 -0.696 -3.182) 3.852 7.746 ( 3.659 2.148 3.691) 5.624 7.869 ( 5.493 1.962 -2.465) 6.332 7.933 ( 2.033 1.462 -5.615) 6.148 8.004 ( 5.242 -0.714 -3.691) 6.451 11.335 ( 1.193 1.365 1.324) 2.245 11.447 ( 3.318 -0.402 2.417) 4.125 11.528 ( 1.391 1.838 -0.595) 2.381 11.728 ( 0.606 -0.203 -7.557) 7.584 13.307 ( 0.683 2.386 -1.371) 2.836 13.453 ( 0.023 1.758 -3.440) 3.863 13.468 ( 4.284 3.678 0.508) 5.670 13.704 ( 5.332 3.390 -3.470) 7.208 14.725 ( -0.527 -0.418 1.128) 1.313 14.756 ( -0.337 -0.117 -0.291) 0.461 14.994 ( -5.977 -5.782 17.580) 19.447 15.352 ( -9.068 -7.352 -7.097) 13.662 ======================= Grid point 122 (54/160) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -9.551 -2.546 -1.262) 9.965 1.065 ( -6.669 -0.993 -3.974) 7.827 1.161 ( 3.011 -5.703 6.366) 9.062 1.285 ( -2.886 3.137 -5.110) 6.654 1.363 ( 1.145 6.312 0.499) 6.434 1.479 ( 1.309 -1.363 4.072) 4.489 1.527 ( 1.818 -4.466 1.543) 5.063 1.699 ( 0.042 -2.102 4.984) 5.409 1.718 ( -0.986 -3.878 -1.038) 4.134 1.820 ( -0.808 0.678 -3.158) 3.329 1.922 ( -0.166 -2.327 -1.613) 2.836 2.085 ( 1.170 -7.284 -2.217) 7.704 2.337 ( -2.952 3.538 0.965) 4.708 2.426 ( -3.252 3.929 -0.507) 5.125 2.588 ( 3.741 2.077 -2.286) 4.851 2.653 ( 1.022 2.712 1.642) 3.331 2.818 ( 1.019 1.324 -0.726) 1.822 2.926 ( -0.666 4.659 2.451) 5.306 2.996 ( 4.620 1.250 1.867) 5.137 3.041 ( -0.690 3.176 2.827) 4.307 3.389 ( 2.686 1.093 -4.124) 5.041 3.445 ( 4.652 -1.457 4.326) 6.518 3.708 ( -0.707 0.563 7.275) 7.331 3.784 ( -1.580 0.414 -4.280) 4.581 3.914 ( -2.033 -2.657 -2.473) 4.161 4.066 ( -3.042 -2.767 1.520) 4.384 4.335 ( 1.216 4.576 -3.897) 6.132 4.470 ( -3.649 -3.789 1.027) 5.360 4.527 ( 1.014 -0.911 3.386) 3.650 4.590 ( -1.913 1.240 9.778) 10.040 4.645 ( -3.261 -6.365 -0.617) 7.178 4.738 ( -2.067 -2.888 -7.345) 8.158 5.012 ( -3.545 -1.307 1.569) 4.091 5.098 ( 2.989 1.962 2.067) 4.130 5.233 ( 0.460 1.463 -0.346) 1.573 5.308 ( 1.725 -1.300 -4.688) 5.162 6.343 ( -4.433 -1.551 4.550) 6.539 6.431 ( -5.262 -1.541 -4.634) 7.179 6.765 ( -1.564 1.443 1.783) 2.777 6.882 ( -3.220 1.432 -0.017) 3.524 6.959 ( 1.070 -3.652 -1.331) 4.031 6.975 ( 4.203 -5.158 -1.470) 6.814 7.267 ( 3.692 0.839 0.448) 3.812 7.370 ( 3.606 1.156 0.510) 3.821 7.806 ( 0.552 4.444 1.203) 4.637 7.834 ( -0.328 3.366 -4.293) 5.465 7.978 ( 5.372 2.229 -2.047) 6.166 8.063 ( 3.486 3.325 1.144) 4.951 11.392 ( 2.869 2.328 2.530) 4.478 11.514 ( 0.004 -1.721 2.750) 3.244 11.563 ( 4.940 5.744 -0.710) 7.609 11.672 ( 0.646 2.858 -4.043) 4.993 13.310 ( 0.423 2.826 0.973) 3.018 13.437 ( 1.360 3.658 -1.013) 4.032 13.525 ( 1.318 7.741 1.162) 7.938 13.725 ( 0.553 7.380 -2.168) 7.712 14.731 ( -0.034 -1.226 0.765) 1.446 14.748 ( -0.163 -0.630 -0.241) 0.694 15.042 ( -5.122 -16.783 5.770) 18.472 15.149 ( -6.420 -13.013 -4.968) 15.337 ======================= Grid point 123 (55/160) ======================= q-point: ( 0.40 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -5.202 1.977 4.587) 7.212 0.879 ( -9.148 0.940 0.712) 9.224 1.215 ( 0.567 0.041 -1.768) 1.857 1.274 ( 2.994 -5.703 0.641) 6.473 1.384 ( 0.417 6.457 -0.566) 6.495 1.519 ( -1.070 -2.215 0.385) 2.490 1.546 ( -2.463 -1.162 4.105) 4.926 1.620 ( -3.840 -0.453 -1.137) 4.030 1.781 ( 0.699 -1.336 -1.294) 1.987 1.835 ( 4.831 -2.605 0.791) 5.545 1.925 ( -0.474 -3.429 1.351) 3.716 2.076 ( -0.472 -5.407 -1.255) 5.571 2.292 ( -0.879 4.099 -0.635) 4.240 2.371 ( -3.389 4.510 1.082) 5.745 2.619 ( 5.175 -0.513 -6.932) 8.666 2.696 ( 1.896 6.221 1.057) 6.589 2.839 ( 2.075 0.722 -0.314) 2.220 2.935 ( 2.530 -1.252 -0.513) 2.869 3.038 ( -1.460 2.686 0.226) 3.065 3.162 ( 10.775 -4.810 2.690) 12.103 3.336 ( -1.042 -3.441 -7.153) 8.006 3.507 ( -0.746 -3.632 -0.968) 3.832 3.642 ( -7.939 -2.579 -2.415) 8.690 3.758 ( -4.706 -1.777 5.726) 7.622 3.884 ( 2.222 -3.669 -3.697) 5.663 4.027 ( -1.990 -5.400 0.622) 5.788 4.291 ( 0.789 2.961 -5.898) 6.646 4.444 ( -1.049 -1.095 -0.255) 1.537 4.449 ( -4.564 -9.759 -4.622) 11.723 4.586 ( -2.537 -3.398 -6.565) 7.815 4.662 ( -0.623 2.310 1.171) 2.664 4.701 ( 2.078 1.410 6.068) 6.567 4.992 ( -0.508 1.401 -0.915) 1.749 5.184 ( 3.078 3.126 4.681) 6.416 5.225 ( -0.538 0.523 -1.733) 1.888 5.314 ( 0.785 2.157 1.867) 2.959 6.296 ( -3.420 -1.794 -1.340) 4.088 6.339 ( -2.758 -2.040 0.461) 3.461 6.731 ( -1.243 2.048 -2.356) 3.360 6.842 ( -1.341 -0.060 -1.713) 2.176 6.976 ( 1.756 -4.333 -0.213) 4.680 7.022 ( 2.141 -4.201 1.024) 4.825 7.348 ( 3.426 1.956 4.144) 5.722 7.459 ( 2.384 -0.712 5.311) 5.865 7.775 ( 0.621 7.016 -4.794) 8.520 7.834 ( -0.820 4.368 2.221) 4.968 8.028 ( 3.560 4.288 -0.414) 5.588 8.128 ( 0.737 4.664 3.726) 6.015 11.447 ( 1.775 1.601 -0.588) 2.461 11.508 ( -0.664 0.682 -3.184) 3.324 11.642 ( 3.442 6.974 4.106) 8.794 11.689 ( 0.824 6.245 4.514) 7.749 13.336 ( -0.276 2.734 2.421) 3.662 13.470 ( 2.180 8.021 0.599) 8.333 13.533 ( -0.095 8.763 -0.103) 8.764 13.688 ( -3.536 8.605 1.654) 9.449 14.738 ( -0.114 -1.195 0.337) 1.247 14.747 ( 0.385 -0.955 -0.378) 1.096 14.968 ( 1.712 -19.680 -8.654) 21.567 15.056 ( -6.084 -23.454 0.898) 24.247 ======================= Grid point 124 (56/160) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.611 3.683 10.224) 10.986 0.909 ( 5.098 0.969 10.883) 12.057 1.217 ( -2.150 -4.493 -0.008) 4.981 1.304 ( 5.682 0.584 -4.880) 7.513 1.359 ( -2.511 2.439 0.686) 3.568 1.482 ( -3.771 2.300 -0.785) 4.486 1.516 ( -3.515 -2.895 0.870) 4.636 1.572 ( 0.451 -0.466 -3.125) 3.192 1.768 ( -0.545 -3.883 -1.716) 4.280 1.897 ( 3.921 -1.802 -2.667) 5.073 1.911 ( -4.064 -1.398 2.765) 5.110 2.051 ( 1.369 -3.847 -1.141) 4.240 2.319 ( -2.830 2.845 0.796) 4.091 2.356 ( 3.669 2.671 2.776) 5.320 2.582 ( 2.860 1.912 -10.646) 11.188 2.718 ( 0.005 5.290 -0.637) 5.329 2.821 ( -3.178 1.801 -2.054) 4.191 2.954 ( -0.203 3.368 -2.952) 4.484 3.050 ( 3.035 -4.254 -3.324) 6.193 3.186 ( -4.656 -8.150 -3.171) 9.907 3.340 ( -1.566 -9.703 -4.299) 10.728 3.408 ( 3.330 -7.266 -0.155) 7.994 3.595 ( 2.034 3.983 0.394) 4.490 3.714 ( -4.188 -1.649 1.400) 4.713 3.902 ( 4.402 -5.501 -2.308) 7.414 3.998 ( -2.679 -5.258 -0.498) 5.922 4.234 ( 2.234 0.647 -9.305) 9.591 4.339 ( -1.544 -5.889 -2.814) 6.707 4.454 ( 1.969 -4.517 -1.053) 5.039 4.464 ( -0.368 -2.019 -9.114) 9.342 4.666 ( -2.763 1.848 3.458) 4.797 4.782 ( 1.201 1.628 3.383) 3.942 4.983 ( 0.233 3.838 -0.314) 3.857 5.174 ( -1.828 1.115 -3.054) 3.730 5.277 ( 1.449 2.449 4.681) 5.478 5.354 ( -0.015 1.259 3.344) 3.573 6.244 ( -1.047 -2.613 -1.647) 3.262 6.331 ( 1.315 -3.157 -0.075) 3.421 6.688 ( -0.098 0.609 -3.651) 3.703 6.810 ( 0.644 -2.575 -2.175) 3.432 7.006 ( 0.766 -0.412 1.961) 2.145 7.059 ( -0.517 -0.925 2.954) 3.139 7.459 ( 2.128 2.539 7.147) 7.877 7.501 ( -3.735 3.505 2.005) 5.500 7.761 ( -0.110 2.661 0.202) 2.670 7.841 ( 1.745 2.163 0.995) 2.952 8.092 ( 2.158 6.372 3.193) 7.447 8.157 ( -2.271 5.587 3.621) 7.035 11.430 ( -1.650 0.750 -3.061) 3.557 11.453 ( 0.210 0.445 -3.654) 3.687 11.745 ( -2.114 10.466 6.314) 12.404 11.763 ( 2.187 8.863 8.145) 12.234 13.335 ( -1.860 3.361 0.986) 3.966 13.474 ( 0.086 9.561 -1.230) 9.640 13.554 ( -1.151 5.022 3.458) 6.205 13.710 ( 2.344 8.559 5.397) 10.386 14.733 ( -0.541 -1.301 -0.294) 1.439 14.745 ( 0.015 -0.831 -0.731) 1.107 14.920 ( -5.505 -25.658 -7.702) 27.349 14.969 ( 7.155 -21.361 -5.767) 23.254 ======================= Grid point 125 (57/160) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.768 -1.529 8.699) 8.866 1.070 ( -5.365 -3.963 0.399) 6.682 1.191 ( 4.157 5.987 7.349) 10.351 1.334 ( 1.846 2.676 0.623) 3.310 1.382 ( 3.066 -0.796 0.102) 3.169 1.426 ( 0.421 0.738 0.845) 1.199 1.474 ( -2.151 -3.874 -0.226) 4.437 1.542 ( 1.120 -2.290 -5.019) 5.630 1.742 ( 0.725 -2.565 -1.566) 3.092 1.869 ( -2.554 1.163 2.330) 3.648 1.936 ( 4.144 -2.839 -3.246) 5.981 2.098 ( 3.644 -3.882 0.780) 5.381 2.262 ( -2.532 1.099 -1.559) 3.170 2.448 ( 3.118 1.549 1.025) 3.630 2.491 ( 2.450 1.610 -12.264) 12.610 2.640 ( -4.025 -0.513 -7.791) 8.784 2.735 ( -2.704 1.514 -2.063) 3.723 2.912 ( -3.351 3.221 -2.948) 5.504 2.948 ( -4.919 -0.784 -1.463) 5.191 3.107 ( -7.180 -2.540 0.729) 7.651 3.257 ( 3.979 -3.044 -8.225) 9.631 3.463 ( -3.392 0.464 1.165) 3.616 3.600 ( -0.566 -0.428 -0.752) 1.034 3.766 ( 8.156 0.519 0.675) 8.200 3.929 ( -2.507 -5.593 -1.718) 6.366 3.954 ( 2.533 -4.041 -2.550) 5.408 4.194 ( 4.778 -3.547 -4.605) 7.525 4.337 ( 1.408 -2.921 -0.741) 3.327 4.403 ( 5.055 -3.413 -5.390) 8.140 4.491 ( 4.204 -6.292 -1.306) 7.679 4.658 ( -2.317 0.321 3.368) 4.101 4.816 ( 0.425 1.217 0.892) 1.567 4.973 ( -1.744 5.462 0.046) 5.734 5.116 ( -1.643 -0.616 -2.124) 2.755 5.331 ( -0.075 1.711 3.202) 3.631 5.375 ( -0.837 0.002 1.235) 1.492 6.216 ( -0.048 -2.599 -2.116) 3.352 6.377 ( 5.587 -5.033 -1.795) 7.731 6.653 ( 0.171 -0.955 -2.146) 2.355 6.817 ( 2.981 -4.217 -2.095) 5.573 7.019 ( -3.296 3.040 2.076) 4.941 7.086 ( -0.639 2.808 4.930) 5.710 7.408 ( -5.122 5.666 -2.472) 8.029 7.568 ( -1.227 1.935 9.489) 9.762 7.702 ( -3.502 3.370 -3.652) 6.080 7.955 ( 4.858 -3.443 6.071) 8.504 8.120 ( -4.227 5.942 2.672) 7.766 8.164 ( -1.110 6.202 3.920) 7.420 11.370 ( -1.883 0.730 -1.620) 2.589 11.423 ( 0.187 -0.799 -2.670) 2.793 11.754 ( -5.503 11.800 6.307) 14.468 11.865 ( -0.249 9.284 7.021) 11.643 13.330 ( 0.136 3.858 1.270) 4.064 13.476 ( 0.885 7.860 0.727) 7.943 13.584 ( -1.177 0.684 6.647) 6.785 13.827 ( 3.126 9.726 5.125) 11.430 14.666 ( -6.522 -19.349 -11.443) 23.406 14.730 ( -0.066 -2.287 -1.674) 2.835 14.753 ( -0.273 -3.945 -2.958) 4.939 15.065 ( 10.925 -19.332 -4.295) 22.617 ======================= Grid point 126 (58/160) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -8.100 0.711 -4.926) 9.507 1.027 ( -8.127 5.430 2.680) 10.135 1.262 ( 2.047 0.761 4.105) 4.650 1.384 ( 1.862 -1.732 -0.051) 2.544 1.435 ( 2.270 -0.659 -0.816) 2.500 1.481 ( 1.856 -2.532 1.417) 3.444 1.512 ( 0.998 -4.850 1.807) 5.271 1.560 ( 6.304 -0.605 6.247) 8.896 1.750 ( 0.751 -0.539 -1.305) 1.599 1.872 ( -0.610 2.252 0.650) 2.422 1.959 ( 3.496 -2.760 -3.578) 5.713 2.166 ( 4.077 -2.576 0.471) 4.845 2.227 ( 0.439 -2.215 -1.517) 2.721 2.405 ( 3.424 1.477 -10.177) 10.839 2.448 ( -0.478 -0.640 -2.200) 2.341 2.538 ( 0.003 0.535 -3.394) 3.436 2.673 ( -2.107 0.661 -1.408) 2.619 2.818 ( -1.912 2.052 -3.375) 4.388 2.881 ( -2.648 4.774 -3.103) 6.280 3.024 ( -3.856 5.575 0.453) 6.794 3.223 ( 1.422 2.433 -5.485) 6.167 3.361 ( -7.652 2.300 0.544) 8.008 3.607 ( -0.468 -2.698 2.089) 3.444 3.866 ( 4.076 1.186 -1.802) 4.611 3.887 ( -1.014 -1.327 -0.015) 1.671 3.938 ( -0.182 -2.432 -2.272) 3.334 4.252 ( 2.986 1.875 0.238) 3.534 4.357 ( 5.174 -2.262 -3.225) 6.503 4.464 ( 2.700 -2.715 -0.681) 3.889 4.516 ( -3.853 1.460 2.037) 4.596 4.734 ( 8.441 -11.181 2.944) 14.315 4.832 ( 2.888 -1.812 -0.189) 3.414 4.941 ( 1.212 2.753 -3.678) 4.752 5.079 ( -1.307 -0.720 0.513) 1.578 5.337 ( -3.630 0.391 1.581) 3.978 5.369 ( 0.640 -0.061 0.106) 0.652 6.199 ( 1.215 -0.875 -2.341) 2.779 6.452 ( 6.951 -6.118 -3.160) 9.785 6.651 ( 0.895 -1.800 0.155) 2.016 6.847 ( 3.234 -3.721 -1.948) 5.301 6.955 ( -4.721 2.438 -0.345) 5.324 7.121 ( -2.987 5.185 4.305) 7.372 7.326 ( -2.313 3.015 -0.397) 3.821 7.596 ( -6.525 0.722 4.945) 8.219 7.638 ( 1.019 3.700 -1.385) 4.080 8.031 ( -5.309 3.157 1.776) 6.427 8.098 ( 1.159 -2.432 4.045) 4.860 8.166 ( -3.644 4.470 2.600) 6.327 11.341 ( -0.963 0.851 0.336) 1.328 11.404 ( 0.246 -1.132 -1.148) 1.631 11.716 ( -7.398 9.978 5.212) 13.471 11.915 ( -0.782 4.974 4.189) 6.549 13.352 ( 0.627 4.240 0.487) 4.314 13.513 ( -0.265 5.507 3.991) 6.806 13.696 ( 2.995 0.783 12.243) 12.628 13.876 ( -4.417 7.357 3.959) 9.451 14.392 ( -2.449 -15.360 -21.024) 26.152 14.716 ( -0.228 -0.722 -0.752) 1.067 14.751 ( 0.696 -0.678 -0.154) 0.983 15.201 ( 11.961 -16.341 -4.126) 20.667 ======================= Grid point 127 (59/160) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.777 12.445 5.007) 13.437 0.893 ( -8.636 11.584 1.144) 14.495 1.337 ( 3.159 -3.485 1.208) 4.856 1.406 ( 0.175 -0.760 -1.928) 2.080 1.431 ( -1.145 -3.339 1.486) 3.830 1.505 ( 2.253 -7.261 -0.524) 7.620 1.563 ( -2.319 1.705 1.088) 3.077 1.679 ( 1.077 -1.073 -1.573) 2.188 1.747 ( 3.318 0.957 1.945) 3.963 1.829 ( -3.592 -1.918 0.678) 4.128 1.970 ( 2.608 -0.699 -2.578) 3.733 2.199 ( 0.134 -1.460 -3.669) 3.951 2.245 ( 1.983 -2.689 0.895) 3.459 2.378 ( 2.464 4.019 -1.790) 5.043 2.467 ( 3.659 0.765 -1.928) 4.206 2.569 ( 5.751 -0.209 1.750) 6.015 2.658 ( 0.061 1.677 1.906) 2.539 2.757 ( -1.311 3.516 -2.502) 4.509 2.823 ( -0.877 7.364 -1.010) 7.485 2.989 ( -0.554 6.426 -1.146) 6.551 3.189 ( -0.817 6.369 -0.963) 6.493 3.284 ( -2.491 -1.223 0.099) 2.777 3.635 ( 0.769 -1.722 3.245) 3.753 3.851 ( -1.254 -1.278 -2.325) 2.935 3.908 ( -0.160 1.338 1.684) 2.157 3.914 ( 1.473 0.830 -1.417) 2.206 4.277 ( -1.177 6.003 1.141) 6.223 4.376 ( -1.513 1.569 -2.931) 3.653 4.387 ( -6.876 6.298 -1.220) 9.404 4.504 ( 1.063 -1.132 -0.396) 1.603 4.797 ( -0.917 -1.380 -0.016) 1.657 4.873 ( -1.888 -0.245 2.136) 2.861 4.997 ( 3.936 -13.149 -1.707) 13.831 5.198 ( 18.319 -5.580 1.204) 19.188 5.273 ( -4.147 1.000 0.018) 4.266 5.390 ( 0.806 -1.204 1.321) 1.961 6.214 ( 3.463 2.345 -0.826) 4.263 6.514 ( 5.113 -4.326 -3.220) 7.431 6.676 ( 1.074 -1.373 1.203) 2.118 6.834 ( -2.803 2.760 -0.672) 3.991 6.927 ( 1.999 -5.400 -1.123) 5.867 7.067 ( -5.379 2.599 -0.417) 5.988 7.342 ( 2.930 0.782 1.907) 3.582 7.569 ( 0.074 0.067 -0.403) 0.415 7.628 ( -3.008 3.075 2.339) 4.896 7.921 ( -8.770 2.201 -0.213) 9.044 8.087 ( -7.800 3.945 1.521) 8.872 8.163 ( 1.692 -5.418 0.086) 5.677 11.343 ( -0.073 1.726 1.266) 2.142 11.405 ( 0.264 -0.832 0.400) 0.960 11.639 ( -7.716 6.212 2.700) 10.267 11.945 ( 0.970 -2.731 0.896) 3.034 13.349 ( -1.599 2.750 0.301) 3.195 13.532 ( -1.956 3.860 1.803) 4.688 13.743 ( -16.057 -4.756 4.366) 17.307 13.954 ( 7.704 6.797 16.069) 19.072 14.172 ( 5.139 0.208 -22.744) 23.318 14.708 ( 0.004 -0.173 -0.191) 0.258 14.761 ( 0.507 -0.303 0.035) 0.591 15.353 ( 12.197 -11.941 -2.376) 17.234 ======================= Grid point 128 (60/160) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -4.472 14.215 4.977) 15.711 0.854 ( 3.709 14.458 9.389) 17.633 1.306 ( -9.078 5.093 1.944) 10.589 1.393 ( 0.905 -2.214 -1.315) 2.730 1.432 ( 3.968 -4.323 -3.284) 6.724 1.494 ( -0.898 -1.855 -1.643) 2.636 1.557 ( 3.906 -1.689 -4.510) 6.201 1.618 ( -4.193 3.778 -1.698) 5.894 1.783 ( -0.037 -5.259 2.176) 5.691 1.866 ( 2.902 -4.508 0.637) 5.400 1.996 ( 1.976 0.635 0.252) 2.091 2.127 ( -1.502 -6.681 -3.488) 7.685 2.278 ( 1.391 5.649 3.457) 6.767 2.443 ( 2.890 2.259 -2.957) 4.712 2.481 ( -0.119 1.391 4.789) 4.988 2.659 ( 1.529 3.666 1.869) 4.389 2.698 ( 0.600 5.938 -3.484) 6.911 2.760 ( 1.576 -2.870 8.097) 8.734 2.864 ( 2.063 4.933 6.273) 8.242 2.964 ( -1.819 3.834 -0.211) 4.249 3.178 ( -0.439 10.894 -0.312) 10.907 3.267 ( 0.338 -0.490 -0.734) 0.945 3.682 ( 0.478 -3.041 -0.257) 3.089 3.817 ( 1.964 0.556 -1.768) 2.700 3.883 ( -0.431 2.881 -0.173) 2.918 3.973 ( 1.085 3.905 1.561) 4.343 4.192 ( -6.802 6.746 1.863) 9.759 4.297 ( -5.102 6.371 -0.564) 8.182 4.349 ( 0.465 6.320 0.938) 6.406 4.484 ( -0.818 2.140 -1.989) 3.034 4.775 ( -0.334 -4.418 0.366) 4.446 4.878 ( -2.565 -3.055 3.211) 5.121 5.010 ( 1.106 -3.753 -1.224) 4.100 5.192 ( -3.313 1.116 -1.682) 3.879 5.386 ( 3.174 -3.355 -3.790) 5.974 5.549 ( 13.008 -13.711 4.095) 19.338 6.292 ( 5.631 5.930 0.508) 8.193 6.542 ( 1.453 -1.241 -0.500) 1.975 6.715 ( 1.956 -1.268 1.474) 2.758 6.795 ( -0.751 0.523 -2.047) 2.242 6.924 ( -2.294 0.142 3.299) 4.021 7.012 ( 0.630 -4.223 -1.650) 4.578 7.432 ( 5.058 -1.532 -0.229) 5.290 7.557 ( 1.316 -1.972 -1.700) 2.917 7.631 ( 0.809 3.235 0.189) 3.340 7.760 ( -9.718 0.329 -0.672) 9.746 7.945 ( -10.626 2.204 -0.319) 10.857 8.167 ( 1.092 -5.299 -3.316) 6.346 11.356 ( 0.081 2.607 0.610) 2.679 11.415 ( -0.697 0.048 1.312) 1.486 11.540 ( -5.479 2.977 -0.794) 6.286 11.955 ( 1.509 -9.999 -3.282) 10.632 13.314 ( -3.105 0.942 0.630) 3.306 13.475 ( -4.508 1.351 -3.442) 5.830 13.542 ( -9.426 -2.639 0.479) 9.800 14.009 ( 3.083 2.345 -18.958) 19.350 14.283 ( 6.509 12.241 20.950) 25.122 14.711 ( 0.258 0.426 0.293) 0.578 14.766 ( 0.107 -0.103 -0.021) 0.150 15.529 ( 9.648 -8.347 1.574) 12.854 ======================= Grid point 129 (61/160) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -4.135 -0.556 -5.382) 6.810 1.055 ( 0.031 1.366 -4.729) 4.922 1.253 ( -2.391 -1.028 3.172) 4.104 1.385 ( 1.814 1.538 -2.721) 3.614 1.445 ( -0.827 3.794 -5.295) 6.566 1.463 ( -1.714 -3.211 -1.674) 4.006 1.544 ( 0.699 1.002 -0.687) 1.402 1.647 ( 1.352 2.206 -1.408) 2.945 1.736 ( -0.545 -0.843 1.316) 1.655 1.790 ( 0.744 -0.804 2.723) 2.935 1.934 ( -0.115 -5.904 -1.517) 6.097 2.014 ( 5.887 -8.213 3.862) 10.818 2.392 ( -2.070 2.717 0.226) 3.423 2.553 ( -1.117 -0.539 3.010) 3.256 2.570 ( -0.383 3.600 4.643) 5.887 2.732 ( -2.329 2.561 5.318) 6.345 2.850 ( -0.694 1.964 10.042) 10.256 2.885 ( 1.103 8.142 4.878) 9.555 2.994 ( -0.803 7.402 0.834) 7.492 3.063 ( 0.262 5.786 0.630) 5.826 3.160 ( 0.508 -1.847 -3.521) 4.009 3.472 ( -0.257 0.819 3.540) 3.643 3.581 ( -0.492 3.996 -0.766) 4.099 3.847 ( 2.180 -4.104 2.456) 5.256 4.051 ( 1.200 8.138 1.360) 8.337 4.087 ( 1.291 6.635 1.083) 6.845 4.304 ( -3.406 8.844 1.840) 9.654 4.383 ( -0.441 5.565 1.535) 5.790 4.480 ( -1.262 7.295 0.026) 7.403 4.618 ( 9.041 5.117 4.220) 11.213 4.701 ( 1.957 -5.252 -0.231) 5.610 4.722 ( -8.837 -5.479 1.257) 10.474 4.937 ( 0.570 -5.729 -2.089) 6.125 5.179 ( 0.045 1.681 -3.027) 3.463 5.236 ( 0.051 -11.359 -4.195) 12.109 5.374 ( -0.153 -11.455 0.449) 11.464 6.455 ( -0.137 4.838 -1.885) 5.194 6.556 ( 2.508 -1.169 -0.464) 2.805 6.694 ( -1.945 -1.180 -1.262) 2.601 6.722 ( 0.947 -1.875 -0.068) 2.101 6.934 ( -1.380 1.859 2.961) 3.759 7.067 ( -0.068 -2.381 8.766) 9.084 7.435 ( 4.818 -1.421 -0.778) 5.083 7.493 ( -1.607 -3.761 -0.294) 4.100 7.604 ( -4.108 5.450 -8.698) 11.056 7.780 ( 2.594 1.980 0.533) 3.306 7.820 ( -1.227 0.622 -2.413) 2.778 8.013 ( 0.331 -6.446 -4.875) 8.089 11.398 ( -0.970 1.957 -0.917) 2.369 11.410 ( -2.551 1.027 -0.267) 2.763 11.536 ( 0.639 2.789 -1.215) 3.109 11.725 ( 1.040 -7.724 -4.653) 9.077 13.292 ( -0.026 0.517 0.172) 0.546 13.352 ( -0.100 -2.364 -0.673) 2.460 13.530 ( -0.105 4.899 -4.909) 6.936 13.788 ( 0.008 -6.670 -11.637) 13.413 14.724 ( 0.098 0.975 1.187) 1.539 14.758 ( 0.053 -0.640 -0.030) 0.643 14.902 ( 0.542 17.392 15.016) 22.984 15.469 ( 0.519 -10.406 4.074) 11.187 ======================= Grid point 130 (62/160) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -2.027 -3.092 -1.942) 4.176 1.000 ( 0.034 -6.511 -5.171) 8.315 1.252 ( -2.001 -0.266 2.578) 3.274 1.338 ( -2.733 6.200 -3.546) 7.647 1.385 ( 0.847 3.122 -1.988) 3.797 1.455 ( -0.071 -2.932 2.146) 3.634 1.508 ( -1.183 -1.152 -2.272) 2.809 1.614 ( -2.881 -2.991 -3.255) 5.277 1.780 ( 2.775 -1.175 1.250) 3.262 1.805 ( 0.269 0.124 -2.353) 2.372 1.960 ( 2.062 -0.636 3.062) 3.746 2.111 ( 0.878 -4.171 -1.919) 4.674 2.354 ( -0.192 0.421 1.661) 1.724 2.474 ( -4.139 -3.926 -5.209) 7.725 2.673 ( -1.577 4.242 11.908) 12.739 2.755 ( -3.105 4.165 6.351) 8.205 2.901 ( -1.877 3.511 2.219) 4.558 2.970 ( 0.219 7.167 3.712) 8.075 2.986 ( -2.310 3.070 4.073) 5.599 3.094 ( 2.147 9.052 1.204) 9.381 3.179 ( 4.131 -0.455 2.196) 4.700 3.512 ( -5.260 6.306 8.007) 11.470 3.561 ( 2.504 0.886 -1.986) 3.316 3.883 ( -1.234 -3.671 2.511) 4.615 4.046 ( -5.410 7.213 -0.547) 9.033 4.067 ( -3.115 6.241 3.457) 7.785 4.347 ( 4.712 4.588 4.750) 8.112 4.407 ( 1.269 5.279 1.394) 5.606 4.485 ( -1.517 2.567 2.570) 3.937 4.573 ( -10.177 -6.653 1.048) 12.204 4.689 ( -2.082 -3.743 -1.077) 4.416 4.825 ( 6.524 4.217 1.699) 7.952 4.901 ( 0.526 -6.509 -0.582) 6.556 5.167 ( 0.791 0.195 -4.397) 4.472 5.170 ( 0.059 -6.815 -2.952) 7.427 5.343 ( -1.564 -8.610 -2.703) 9.159 6.397 ( -4.680 3.326 1.008) 5.829 6.544 ( -2.743 -4.737 -1.371) 5.643 6.678 ( 0.388 1.120 1.063) 1.592 6.769 ( 4.231 -2.769 -0.904) 5.137 6.955 ( -1.135 3.794 4.724) 6.164 7.115 ( -4.127 -3.524 6.601) 8.546 7.367 ( -5.268 2.943 -6.146) 8.614 7.456 ( -3.180 -0.681 -5.967) 6.796 7.596 ( 11.259 3.021 0.692) 11.677 7.844 ( 4.604 2.810 -0.914) 5.471 7.875 ( 10.196 -3.751 -4.299) 11.684 7.958 ( 0.742 -3.659 -5.146) 6.357 11.360 ( -1.033 1.614 -0.705) 2.042 11.388 ( 0.141 -0.094 0.110) 0.202 11.560 ( 3.546 3.358 -1.782) 5.199 11.714 ( 4.224 -4.586 -5.749) 8.481 13.329 ( 4.023 1.519 -0.479) 4.327 13.392 ( 5.656 -1.501 -1.273) 5.989 13.493 ( 1.439 2.306 -2.983) 4.036 13.671 ( 1.605 -4.994 -9.555) 10.900 14.731 ( -0.491 0.397 0.590) 0.864 14.754 ( -0.386 -0.645 0.085) 0.756 15.012 ( -9.007 11.544 15.988) 21.679 15.425 ( -10.170 -7.945 1.976) 13.056 ======================= Grid point 131 (63/160) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.537 -7.325 2.651) 7.808 0.944 ( 0.887 -6.731 -4.481) 8.135 1.218 ( -2.349 -1.212 -2.878) 3.908 1.307 ( -1.392 1.589 0.940) 2.312 1.397 ( 1.113 3.637 0.630) 3.855 1.443 ( -2.626 -2.393 2.145) 4.150 1.532 ( 1.266 0.897 1.503) 2.160 1.537 ( -0.269 -1.153 1.179) 1.671 1.763 ( -0.436 0.056 -2.197) 2.241 1.840 ( 2.961 -1.749 -2.327) 4.152 1.970 ( -3.317 0.270 -0.781) 3.419 2.015 ( -3.398 -2.759 -6.345) 7.708 2.385 ( -0.847 -0.728 -1.005) 1.502 2.418 ( 1.499 -2.364 3.540) 4.513 2.724 ( -3.312 4.150 4.930) 7.246 2.799 ( -1.874 3.179 7.988) 8.800 2.845 ( -4.044 10.148 -1.913) 11.090 2.984 ( -2.317 4.561 2.739) 5.803 3.016 ( 0.161 1.600 2.690) 3.135 3.109 ( 0.978 4.012 -2.048) 4.609 3.319 ( 3.607 4.016 7.737) 9.434 3.459 ( -5.085 5.928 1.325) 7.922 3.632 ( 1.270 -2.544 4.797) 5.577 3.858 ( -2.004 -2.269 -2.151) 3.713 3.948 ( -5.336 1.228 -0.669) 5.516 4.060 ( -4.229 0.171 3.257) 5.341 4.382 ( -9.778 -8.073 2.547) 12.933 4.448 ( -0.675 0.258 3.429) 3.504 4.459 ( 0.063 -1.155 3.201) 3.403 4.526 ( -1.686 0.398 4.495) 4.818 4.630 ( -1.362 1.333 -0.329) 1.934 4.796 ( -1.272 -1.719 -3.913) 4.459 5.019 ( 5.791 1.953 1.557) 6.307 5.091 ( -2.402 -0.240 -1.009) 2.616 5.208 ( 5.497 -0.200 -2.470) 6.030 5.289 ( 0.428 -4.801 -4.771) 6.781 6.348 ( -4.854 0.566 3.311) 5.902 6.467 ( -5.019 -5.278 -1.036) 7.357 6.711 ( 1.028 0.367 2.965) 3.160 6.819 ( 2.570 -4.299 0.101) 5.010 6.984 ( -1.600 3.932 2.818) 5.095 7.076 ( -6.633 0.186 0.113) 6.637 7.268 ( 4.052 4.682 -7.404) 9.652 7.376 ( 1.790 0.628 -5.641) 5.951 7.769 ( 6.095 0.845 3.979) 7.328 7.873 ( 1.433 -2.899 -3.874) 5.047 7.940 ( 6.977 2.158 -2.193) 7.626 8.013 ( 8.905 0.097 -3.368) 9.521 11.368 ( 1.457 1.779 1.799) 2.919 11.423 ( 1.878 -1.324 2.867) 3.675 11.601 ( 5.755 4.541 -3.601) 8.168 11.719 ( 4.899 -1.029 -6.549) 8.243 13.365 ( 2.450 3.936 -2.378) 5.211 13.481 ( 3.710 2.387 -1.773) 4.754 13.506 ( 5.193 -0.651 0.762) 5.289 13.682 ( 8.836 -5.286 -3.754) 10.959 14.723 ( -1.259 0.213 0.638) 1.427 14.749 ( -0.458 -0.774 0.015) 0.899 14.965 ( -16.589 3.001 12.248) 20.837 15.212 ( -16.041 -7.165 -1.839) 17.664 ======================= Grid point 132 (64/160) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -2.683 -2.383 -0.211) 3.595 0.971 ( 0.693 -7.030 1.297) 7.182 1.135 ( -2.884 0.293 -2.212) 3.646 1.245 ( -2.986 -5.253 -1.154) 6.152 1.437 ( 2.226 2.803 1.195) 3.773 1.494 ( 1.022 -0.090 5.053) 5.156 1.525 ( 0.631 4.573 0.881) 4.700 1.651 ( 4.350 -1.726 5.709) 7.382 1.710 ( -4.728 1.968 -1.453) 5.323 1.823 ( 2.206 0.082 -6.231) 6.611 1.876 ( -2.401 -2.964 -1.713) 4.181 1.963 ( 1.023 -4.967 -2.308) 5.572 2.379 ( -0.622 1.551 0.409) 1.720 2.464 ( 0.333 -0.883 1.456) 1.735 2.717 ( -2.171 6.301 -0.689) 6.700 2.750 ( -3.802 11.722 0.797) 12.349 2.830 ( -0.992 0.008 1.410) 1.724 2.988 ( -2.642 2.541 4.425) 5.746 3.038 ( -0.367 1.804 0.972) 2.082 3.085 ( -0.676 1.240 -1.199) 1.853 3.374 ( -3.867 -2.314 -1.183) 4.659 3.426 ( -1.060 -1.738 2.612) 3.312 3.670 ( -4.370 -4.754 3.338) 7.269 3.750 ( -6.018 -6.608 -3.093) 9.458 3.880 ( -1.138 2.202 -1.241) 2.773 3.998 ( -4.135 -3.228 -0.168) 5.248 4.318 ( -2.829 -3.962 2.692) 5.563 4.385 ( -4.080 -8.179 -1.952) 9.346 4.483 ( -0.980 4.041 1.477) 4.413 4.574 ( -1.774 -0.952 5.096) 5.479 4.661 ( 1.238 3.638 3.807) 5.410 4.734 ( -0.026 0.438 -4.967) 4.986 5.032 ( 1.503 2.680 -2.935) 4.249 5.140 ( 3.129 1.121 2.784) 4.335 5.250 ( 1.654 0.128 -2.527) 3.023 5.285 ( 4.064 -0.661 -0.224) 4.124 6.306 ( -5.030 -1.368 2.948) 5.989 6.371 ( -4.889 -3.785 -1.706) 6.414 6.779 ( 1.844 0.375 4.141) 4.548 6.855 ( 0.029 -3.448 2.257) 4.121 6.948 ( -2.161 1.705 -4.608) 5.368 6.959 ( -2.304 1.641 -3.230) 4.293 7.301 ( 4.889 2.423 -1.346) 5.620 7.381 ( 3.546 -0.366 -2.021) 4.098 7.859 ( 1.768 1.674 2.153) 3.250 7.882 ( 2.527 1.341 -1.044) 3.046 8.035 ( 7.281 3.361 -2.202) 8.316 8.108 ( 5.667 0.887 0.205) 5.740 11.434 ( 2.515 1.834 2.883) 4.243 11.484 ( 1.151 -1.176 2.741) 3.197 11.679 ( 7.952 5.339 -1.436) 9.686 11.728 ( 4.666 2.461 -4.352) 6.839 13.380 ( 2.170 4.877 -0.927) 5.418 13.509 ( 3.925 3.369 -0.452) 5.192 13.633 ( 6.001 3.015 2.179) 7.061 13.796 ( 7.356 -1.130 -1.232) 7.544 14.704 ( -2.510 -1.521 0.714) 3.021 14.739 ( -0.606 -0.892 -0.171) 1.092 14.778 ( -18.047 -7.725 4.630) 20.169 14.921 ( -15.049 -9.746 -3.989) 18.368 ======================= Grid point 133 (65/160) ======================= q-point: ( 0.40 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 1.081 3.922 5.301) 6.682 0.902 ( -6.261 0.389 0.570) 6.299 1.138 ( -1.100 -2.921 3.778) 4.901 1.224 ( 1.026 -4.101 0.041) 4.227 1.476 ( 1.419 3.415 -0.870) 3.799 1.506 ( -0.595 2.179 -0.790) 2.393 1.568 ( -0.301 1.217 1.681) 2.097 1.614 ( -3.376 0.055 -1.128) 3.560 1.776 ( 4.142 -0.868 2.596) 4.965 1.789 ( -0.021 0.170 -3.918) 3.921 1.862 ( 0.981 -3.309 -0.103) 3.453 1.965 ( 0.345 -5.877 0.121) 5.889 2.370 ( -0.023 4.289 0.165) 4.292 2.465 ( -1.538 3.390 0.521) 3.759 2.638 ( 1.613 4.245 -6.853) 8.221 2.797 ( 2.196 4.278 4.229) 6.403 2.822 ( 3.045 -1.797 -4.191) 5.483 2.933 ( -6.586 1.073 0.551) 6.695 3.057 ( 1.382 -4.292 0.762) 4.573 3.081 ( -0.582 0.193 0.625) 0.876 3.229 ( -10.223 -7.770 -4.072) 13.470 3.342 ( -9.292 -11.943 -2.147) 15.283 3.617 ( 0.365 0.116 0.495) 0.626 3.697 ( -3.062 -3.934 3.018) 5.827 3.856 ( 0.265 1.770 -2.194) 2.831 3.969 ( -0.044 -1.808 -0.509) 1.878 4.302 ( -1.832 -3.843 -1.779) 4.614 4.306 ( 1.158 -1.955 -7.581) 7.914 4.456 ( -1.734 2.231 -1.743) 3.320 4.538 ( -1.315 -1.749 -5.875) 6.269 4.710 ( -1.076 2.363 2.095) 3.336 4.733 ( 1.403 1.350 4.403) 4.814 5.043 ( 2.069 3.546 -0.942) 4.213 5.193 ( 1.437 -2.138 -0.695) 2.668 5.270 ( 1.605 3.473 1.966) 4.302 5.340 ( 1.334 0.409 1.824) 2.296 6.253 ( -3.877 -1.793 0.220) 4.278 6.290 ( -2.441 -2.791 -1.765) 4.106 6.775 ( -1.134 2.174 -4.857) 5.441 6.831 ( -1.271 -1.052 -5.759) 5.990 6.934 ( 1.812 -0.150 4.462) 4.818 6.974 ( 1.587 -1.226 5.973) 6.300 7.381 ( 2.868 1.467 4.802) 5.783 7.438 ( 1.901 -1.405 4.715) 5.274 7.873 ( 0.629 3.285 -4.519) 5.622 7.898 ( 1.736 2.083 -2.104) 3.432 8.122 ( 4.632 4.838 1.652) 6.899 8.196 ( 2.030 1.880 4.037) 4.894 11.468 ( 0.653 0.878 -1.457) 1.822 11.504 ( 0.266 -0.704 -2.172) 2.298 11.790 ( 4.977 7.137 4.856) 9.964 11.826 ( 5.236 6.223 5.841) 10.013 13.407 ( 2.128 5.539 -0.808) 5.989 13.592 ( 5.912 3.285 -0.982) 6.834 13.712 ( 2.833 9.693 -0.093) 10.099 13.853 ( -2.175 7.093 3.742) 8.309 14.560 ( -6.798 -19.177 -4.319) 20.800 14.598 ( -11.154 -18.948 -1.950) 22.073 14.728 ( -0.541 -0.592 -0.153) 0.816 14.746 ( -2.278 -2.189 -1.108) 3.348 ======================= Grid point 134 (66/160) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.812 4.517 6.844) 9.043 0.940 ( 4.318 1.114 9.162) 10.190 1.169 ( -0.744 0.206 5.995) 6.044 1.254 ( 1.433 -3.832 1.106) 4.238 1.425 ( -1.685 3.341 -5.329) 6.512 1.495 ( 0.366 1.902 -1.798) 2.643 1.532 ( -2.234 -0.435 -2.698) 3.530 1.582 ( -1.444 0.669 -0.536) 1.679 1.718 ( -2.946 0.313 -2.575) 3.925 1.839 ( 3.343 -3.104 -2.576) 5.239 1.888 ( -0.200 -1.520 2.644) 3.056 1.970 ( 0.951 -4.462 0.094) 4.563 2.392 ( -1.695 4.717 1.045) 5.120 2.434 ( 1.376 5.276 -0.595) 5.485 2.612 ( 3.730 1.404 -9.294) 10.113 2.765 ( -2.015 -2.995 -6.826) 7.721 2.836 ( -3.786 0.746 -2.374) 4.531 2.917 ( 5.988 -2.798 0.616) 6.638 3.016 ( -10.276 -7.761 -0.848) 12.905 3.043 ( 3.444 -0.137 -6.756) 7.585 3.129 ( 1.881 -9.591 2.234) 10.026 3.230 ( 1.304 -9.266 -0.220) 9.359 3.665 ( 0.867 1.984 2.652) 3.424 3.679 ( -2.653 -0.996 2.288) 3.642 3.848 ( 2.302 0.558 -2.512) 3.453 3.956 ( -0.463 -1.142 -1.254) 1.758 4.196 ( -0.587 -1.990 -10.464) 10.668 4.264 ( 2.582 -3.613 -7.590) 8.793 4.405 ( -1.307 1.548 -2.674) 3.355 4.469 ( 0.750 -0.254 -4.175) 4.250 4.712 ( -1.925 2.680 2.477) 4.126 4.793 ( 0.470 -0.469 3.043) 3.115 5.061 ( 0.908 4.002 -0.333) 4.117 5.175 ( -0.898 -1.047 -2.732) 3.061 5.322 ( 0.510 2.106 3.555) 4.163 5.368 ( -0.477 0.125 2.240) 2.294 6.201 ( -1.126 -1.411 -1.996) 2.691 6.258 ( 0.943 -3.789 -2.164) 4.464 6.702 ( -0.315 0.780 -5.901) 5.961 6.756 ( 0.293 -2.453 -4.952) 5.534 7.034 ( 1.557 2.568 7.669) 8.236 7.071 ( -0.459 1.193 8.395) 8.491 7.491 ( 0.472 1.034 9.664) 9.731 7.530 ( -0.816 -0.328 7.905) 7.954 7.812 ( 0.190 2.620 -5.867) 6.428 7.867 ( 0.534 0.400 -5.912) 5.950 8.210 ( 1.478 5.043 4.599) 6.984 8.247 ( -1.752 3.231 4.605) 5.892 11.439 ( -0.709 0.448 -3.294) 3.399 11.456 ( -0.757 -0.151 -4.246) 4.316 11.941 ( 0.932 8.637 11.188) 14.164 11.956 ( -0.802 9.246 10.513) 14.024 13.416 ( 0.601 6.040 -1.751) 6.317 13.604 ( 0.873 3.333 -4.591) 5.740 13.706 ( -5.801 10.125 -0.147) 11.671 13.896 ( 4.871 10.307 5.467) 12.643 14.393 ( -7.943 -26.362 -6.835) 28.369 14.525 ( 7.519 -21.814 -4.260) 23.463 14.723 ( 0.167 -0.843 -0.185) 0.879 14.731 ( 0.347 -0.946 -0.377) 1.076 ======================= Grid point 135 (67/160) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -3.113 1.592 5.489) 6.508 1.044 ( -1.369 -0.968 7.502) 7.688 1.261 ( -0.136 -2.350 3.039) 3.844 1.323 ( 4.044 -0.450 9.931) 10.733 1.358 ( 0.934 1.473 -6.101) 6.345 1.447 ( -2.887 0.333 -1.622) 3.328 1.481 ( -0.989 2.864 -0.350) 3.050 1.548 ( -0.931 1.381 -2.123) 2.699 1.680 ( 1.111 -1.528 -0.962) 2.120 1.841 ( 1.907 -5.599 -2.943) 6.607 1.911 ( 1.408 1.570 0.363) 2.140 2.009 ( 2.513 -3.957 1.075) 4.809 2.331 ( -1.334 4.170 -3.933) 5.885 2.455 ( -1.772 -1.258 -3.698) 4.289 2.539 ( 4.131 3.547 -10.737) 12.039 2.629 ( -2.738 -0.365 -7.707) 8.187 2.739 ( -1.183 0.889 -5.181) 5.388 2.916 ( -2.856 1.669 1.676) 3.708 2.994 ( 1.477 -0.119 0.273) 1.506 3.068 ( 6.838 -1.591 -5.295) 8.793 3.150 ( 3.801 -5.442 -2.351) 7.042 3.371 ( 6.964 -10.792 4.220) 13.520 3.622 ( -3.847 2.276 0.146) 4.473 3.728 ( 2.626 -3.979 2.140) 5.225 3.870 ( 2.792 1.007 -1.286) 3.234 3.938 ( 0.840 0.884 -2.170) 2.490 4.090 ( 1.669 -3.575 -7.548) 8.517 4.233 ( 4.542 -8.158 -7.309) 11.857 4.375 ( 0.697 3.355 -1.517) 3.747 4.464 ( 2.212 -0.233 -1.587) 2.732 4.706 ( -2.508 2.972 2.674) 4.719 4.814 ( -0.206 -1.427 0.693) 1.600 5.063 ( -0.286 3.627 -0.243) 3.647 5.115 ( -2.282 0.257 -2.785) 3.610 5.356 ( -0.706 0.963 2.824) 3.066 5.375 ( -1.802 -0.036 2.005) 2.696 6.178 ( 1.523 -0.869 -2.679) 3.202 6.272 ( 4.468 -5.178 -2.943) 7.445 6.647 ( 0.265 0.457 -3.416) 3.457 6.732 ( 2.266 -3.909 -3.423) 5.668 7.104 ( -4.029 4.609 6.390) 8.849 7.154 ( -0.922 2.915 8.981) 9.487 7.514 ( -5.960 4.920 -0.348) 7.737 7.590 ( -3.021 0.649 10.566) 11.008 7.747 ( -0.140 1.583 -7.259) 7.431 7.870 ( 4.196 -4.795 2.176) 6.733 8.227 ( -5.436 4.691 3.490) 7.984 8.263 ( -2.524 3.390 4.430) 6.123 11.385 ( -1.387 0.756 -2.366) 2.845 11.409 ( -0.398 -0.618 -2.730) 2.828 11.990 ( -8.750 10.959 10.297) 17.398 12.042 ( -5.516 7.847 10.729) 14.391 13.411 ( 1.365 5.353 -0.509) 5.547 13.574 ( -0.139 1.630 -1.237) 2.051 13.625 ( -3.596 4.139 2.457) 6.008 14.031 ( -1.562 7.098 6.135) 9.511 14.218 ( 5.541 -18.781 -16.306) 25.482 14.639 ( 9.203 -13.666 -2.605) 16.681 14.727 ( 0.753 -0.799 -0.466) 1.193 14.754 ( 5.015 -5.813 -1.317) 7.789 ======================= Grid point 136 (68/160) ======================= q-point: (-0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -3.281 5.381 3.910) 7.417 1.134 ( -2.641 3.556 8.912) 9.952 1.251 ( -0.167 -6.758 0.109) 6.761 1.317 ( 2.248 1.070 -3.868) 4.600 1.413 ( -5.075 -3.753 4.922) 8.004 1.435 ( 2.130 1.852 -1.491) 3.192 1.491 ( 1.400 1.013 1.472) 2.270 1.573 ( 1.944 1.067 6.557) 6.921 1.702 ( 2.321 -3.039 -1.822) 4.236 1.841 ( 2.588 -7.787 -4.336) 9.281 1.935 ( 0.792 3.576 -0.934) 3.780 2.073 ( 4.014 -4.170 1.340) 5.941 2.270 ( 0.815 2.833 -6.480) 7.119 2.379 ( 2.569 -2.589 -4.707) 5.955 2.475 ( 2.465 1.533 -7.899) 8.415 2.542 ( -0.727 -1.189 -5.109) 5.296 2.733 ( 4.516 7.397 -1.764) 8.845 2.922 ( 0.344 9.051 0.846) 9.097 2.984 ( -1.342 3.581 -0.773) 3.902 3.117 ( 4.409 4.246 -1.541) 6.312 3.190 ( 5.175 -5.065 -4.303) 8.423 3.400 ( -8.212 -0.691 3.180) 8.833 3.580 ( -0.485 0.933 0.167) 1.064 3.822 ( 4.724 -6.837 -1.087) 8.381 3.893 ( 2.072 2.224 -0.748) 3.130 3.927 ( 1.937 1.540 -2.493) 3.513 4.137 ( 9.605 -9.238 -0.856) 13.354 4.275 ( 9.813 -14.748 -4.847) 18.366 4.386 ( 1.408 4.255 -0.092) 4.483 4.488 ( 1.727 0.064 -0.564) 1.818 4.689 ( -3.081 3.274 2.493) 5.141 4.815 ( 0.464 -1.865 -0.317) 1.948 5.015 ( -3.554 3.916 -2.625) 5.904 5.091 ( 0.776 0.576 1.053) 1.429 5.348 ( -3.430 0.678 1.327) 3.740 5.368 ( -1.290 -0.231 1.576) 2.050 6.194 ( 4.176 0.766 -2.215) 4.789 6.331 ( 6.847 -5.865 -2.689) 9.409 6.639 ( 1.496 0.566 -0.773) 1.777 6.748 ( 3.712 -4.840 -2.294) 6.517 7.058 ( -7.684 6.111 2.730) 10.191 7.190 ( -5.973 1.121 5.378) 8.115 7.411 ( -4.436 5.341 -0.853) 6.995 7.587 ( -4.284 -2.047 0.685) 4.797 7.714 ( 0.551 4.938 0.541) 4.998 7.973 ( 3.294 -6.616 3.538) 8.194 8.142 ( -8.898 4.870 1.832) 10.307 8.234 ( -6.504 1.530 2.912) 7.289 11.357 ( -0.378 0.787 -0.036) 0.874 11.385 ( -0.017 -0.837 -0.837) 1.184 11.910 ( -12.696 9.189 6.740) 17.061 12.011 ( -8.903 3.999 5.391) 11.150 13.427 ( 0.082 4.397 -0.821) 4.474 13.586 ( -0.775 2.251 4.075) 4.720 13.660 ( -1.707 -2.803 9.552) 10.100 13.899 ( -10.411 -11.293 -2.124) 15.505 14.285 ( 18.239 9.691 -13.703) 24.786 14.698 ( 1.691 -1.658 -0.773) 2.491 14.739 ( 1.168 -0.500 -0.182) 1.284 14.894 ( 15.405 -14.534 -4.403) 21.632 ======================= Grid point 137 (69/160) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.481 7.583 6.779) 10.279 1.115 ( -3.878 10.208 0.649) 10.939 1.276 ( -1.979 -9.745 3.788) 10.641 1.353 ( 4.160 3.552 0.409) 5.486 1.389 ( 0.384 -3.941 1.297) 4.167 1.452 ( 1.413 4.717 -2.625) 5.580 1.547 ( 2.855 -3.962 -0.243) 4.889 1.645 ( 0.349 -0.896 2.728) 2.893 1.709 ( 0.473 -3.449 0.784) 3.568 1.818 ( -0.430 -3.457 -3.016) 4.608 1.905 ( -0.304 -1.016 -2.684) 2.886 2.089 ( -1.795 -6.461 -3.922) 7.768 2.279 ( 4.490 2.831 0.301) 5.316 2.412 ( 4.418 -2.333 -1.154) 5.128 2.486 ( 3.193 1.271 0.379) 3.457 2.544 ( 5.903 -1.930 0.575) 6.237 2.771 ( 0.082 10.541 -0.047) 10.542 2.924 ( -1.597 7.943 -0.992) 8.163 2.962 ( 1.431 7.525 0.584) 7.682 3.131 ( -2.188 6.844 -1.579) 7.357 3.219 ( 0.904 -1.094 -2.494) 2.870 3.324 ( 0.933 4.430 2.093) 4.988 3.598 ( 0.234 -1.784 1.859) 2.587 3.800 ( -0.506 -4.468 -3.399) 5.636 3.935 ( 2.601 3.204 -2.689) 4.926 3.973 ( 5.565 4.658 2.243) 7.596 4.275 ( 7.371 -8.078 -3.052) 11.353 4.382 ( 1.709 -4.265 0.641) 4.639 4.411 ( 4.392 -3.991 0.002) 5.935 4.494 ( -0.313 1.968 -0.283) 2.013 4.699 ( 1.915 -1.701 1.651) 3.047 4.836 ( 3.614 -3.276 -0.749) 4.935 4.921 ( -6.144 5.221 -0.411) 8.073 5.145 ( 4.532 -3.310 1.006) 5.702 5.294 ( -4.122 1.177 0.068) 4.287 5.359 ( -1.512 -1.815 0.990) 2.561 6.267 ( 7.129 3.097 -0.496) 7.788 6.420 ( 7.501 -4.831 -2.165) 9.181 6.671 ( 2.109 0.875 0.997) 2.492 6.788 ( 3.173 -4.796 -1.540) 5.953 6.953 ( -6.693 5.160 0.910) 8.499 7.093 ( -8.398 -0.384 0.228) 8.410 7.373 ( -0.704 2.583 0.785) 2.790 7.531 ( -2.419 -3.720 -1.167) 4.588 7.728 ( -0.490 7.070 1.639) 7.274 7.992 ( -11.020 4.655 0.074) 11.963 8.037 ( 1.737 -7.387 0.379) 7.598 8.124 ( -10.085 -0.345 1.090) 10.149 11.369 ( 0.755 0.944 1.351) 1.813 11.391 ( 0.698 -0.588 0.843) 1.242 11.761 ( -11.754 6.037 2.052) 13.372 11.908 ( -7.627 -1.599 0.495) 7.809 13.389 ( -3.439 2.153 -0.537) 4.093 13.594 ( -10.914 -5.025 0.459) 12.024 13.614 ( -3.566 1.210 3.412) 5.082 13.867 ( 2.869 -8.629 3.135) 9.619 14.440 ( 16.099 18.666 -6.322) 25.448 14.709 ( 0.786 0.219 -0.125) 0.826 14.755 ( 0.927 -0.139 -0.038) 0.938 15.110 ( 16.542 -13.475 -2.707) 21.506 ======================= Grid point 138 (70/160) ======================= q-point: (-0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -1.434 2.057 0.677) 2.597 1.078 ( 1.352 10.110 -2.073) 10.409 1.265 ( -3.537 -5.168 3.353) 7.103 1.384 ( 2.484 0.184 -3.739) 4.492 1.449 ( 2.752 -3.389 1.313) 4.559 1.465 ( 4.181 6.435 -2.685) 8.130 1.538 ( 0.570 -0.335 -3.667) 3.726 1.675 ( -0.699 1.388 2.658) 3.079 1.716 ( -2.817 -2.225 2.256) 4.240 1.783 ( 0.504 -1.232 -1.157) 1.763 1.909 ( 3.004 -7.473 -0.963) 8.111 1.992 ( -3.351 -7.078 -2.463) 8.210 2.354 ( 1.759 2.746 3.933) 5.109 2.499 ( 2.529 -1.868 6.074) 6.839 2.542 ( 1.030 3.256 0.458) 3.445 2.669 ( 4.709 -3.028 3.881) 6.813 2.770 ( -2.055 10.469 5.672) 12.083 2.870 ( -1.997 6.911 -0.778) 7.236 3.018 ( 0.378 10.349 2.148) 10.576 3.049 ( -2.283 4.691 -1.935) 5.564 3.194 ( 0.297 -2.879 -2.647) 3.922 3.416 ( 3.608 6.593 2.792) 8.017 3.602 ( -1.159 -3.233 -0.147) 3.437 3.789 ( 2.526 -3.430 -0.619) 4.304 3.967 ( 4.760 6.368 -0.676) 7.979 4.083 ( 3.192 6.669 0.882) 7.446 4.293 ( 0.582 1.533 0.386) 1.685 4.384 ( -1.040 4.285 1.515) 4.662 4.463 ( 1.388 3.306 0.854) 3.686 4.526 ( 3.566 0.231 -0.259) 3.583 4.703 ( -1.791 -1.426 -1.178) 2.574 4.823 ( -7.098 -0.469 2.343) 7.490 4.910 ( 4.948 -5.616 -1.032) 7.556 5.224 ( -0.105 0.467 -1.818) 1.880 5.238 ( 2.516 -10.981 -1.458) 11.359 5.353 ( -0.309 -5.044 1.520) 5.277 6.394 ( 7.939 4.325 0.027) 9.041 6.506 ( 5.682 -2.238 -1.772) 6.359 6.705 ( -0.419 0.310 1.399) 1.493 6.775 ( -2.252 -2.558 -2.181) 4.046 6.918 ( -0.599 1.759 2.660) 3.244 6.999 ( -2.921 -0.223 2.357) 3.760 7.399 ( 2.997 -1.071 -0.538) 3.228 7.486 ( -0.653 -4.459 -1.145) 4.649 7.736 ( 0.392 6.899 -1.373) 7.045 7.806 ( -10.240 3.829 -0.961) 10.975 7.954 ( -10.942 -1.259 -0.650) 11.034 8.046 ( 0.918 -7.083 -2.585) 7.596 11.397 ( 0.666 1.481 0.965) 1.889 11.419 ( 0.679 0.243 1.452) 1.621 11.607 ( -7.377 3.880 -1.443) 8.459 11.796 ( -4.335 -6.546 -3.041) 8.420 13.325 ( -3.823 0.706 0.169) 3.892 13.423 ( -7.885 -4.207 -0.690) 8.963 13.587 ( -1.430 5.359 -2.491) 6.080 13.887 ( 1.366 -9.116 -6.609) 11.343 14.652 ( 7.966 17.177 7.041) 20.201 14.728 ( 2.068 1.847 0.570) 2.831 14.768 ( 0.711 2.341 0.918) 2.613 15.334 ( 11.263 -12.081 2.068) 16.646 ======================= Grid point 139 (71/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -2.116 -6.839 -9.568) 11.950 0.944 ( -2.116 6.839 -9.568) 11.950 1.347 ( -0.463 -6.449 0.120) 6.467 1.347 ( -0.463 6.449 0.120) 6.467 1.440 ( 0.938 -2.268 -1.361) 2.806 1.440 ( 0.938 2.268 -1.361) 2.806 1.622 ( -2.627 -3.956 -2.312) 5.282 1.622 ( -2.627 3.956 -2.312) 5.282 1.789 ( -0.522 -4.495 -0.823) 4.599 1.789 ( -0.522 4.495 -0.823) 4.599 1.874 ( 5.734 -4.813 4.843) 8.916 1.874 ( 5.734 4.813 4.843) 8.916 2.463 ( -2.289 -4.644 1.423) 5.370 2.463 ( -2.289 4.644 1.423) 5.370 2.677 ( -1.542 -4.748 8.377) 9.752 2.677 ( -1.542 4.748 8.377) 9.752 2.923 ( -0.492 -2.217 4.053) 4.646 2.923 ( -0.492 2.217 4.053) 4.646 3.112 ( 0.088 -3.149 -1.945) 3.702 3.112 ( 0.088 3.149 -1.945) 3.702 3.293 ( 0.867 -14.335 1.939) 14.491 3.293 ( 0.867 14.335 1.939) 14.491 3.735 ( 0.911 -7.409 3.196) 8.120 3.735 ( 0.911 7.409 3.196) 8.120 4.157 ( 1.800 -1.251 1.361) 2.579 4.157 ( 1.800 1.251 1.361) 2.579 4.441 ( -1.793 -1.959 2.718) 3.800 4.441 ( -1.793 1.959 2.718) 3.800 4.557 ( -1.164 -4.118 0.400) 4.298 4.557 ( -1.164 4.118 0.400) 4.298 4.727 ( 1.350 -4.007 -0.407) 4.248 4.727 ( 1.350 4.007 -0.407) 4.248 4.929 ( -0.223 -12.827 -1.278) 12.892 4.929 ( -0.223 12.827 -1.278) 12.892 5.247 ( 0.043 -4.027 -2.460) 4.719 5.247 ( 0.043 4.027 -2.460) 4.719 6.524 ( 1.384 -2.383 -2.661) 3.831 6.524 ( 1.384 2.383 -2.661) 3.831 6.693 ( -0.637 -0.937 0.405) 1.203 6.693 ( -0.637 0.937 0.405) 1.203 7.000 ( -1.318 -4.080 5.823) 7.231 7.000 ( -1.318 4.080 5.823) 7.231 7.431 ( 1.482 -1.685 -0.034) 2.244 7.431 ( 1.482 1.685 -0.034) 2.244 7.731 ( -0.974 -5.730 -5.992) 8.347 7.731 ( -0.974 5.730 -5.992) 8.347 7.892 ( 0.409 -5.596 -1.714) 5.867 7.892 ( 0.409 5.596 -1.714) 5.867 11.420 ( -1.876 -0.278 -0.514) 1.965 11.420 ( -1.876 0.278 -0.514) 1.965 11.606 ( 1.096 -4.709 -2.735) 5.554 11.606 ( 1.096 4.709 -2.735) 5.554 13.312 ( 0.220 -1.596 -0.178) 1.620 13.312 ( 0.220 1.596 -0.178) 1.620 13.647 ( -0.264 -7.062 -7.676) 10.434 13.647 ( -0.264 7.062 -7.676) 10.434 14.742 ( 0.003 -0.912 0.264) 0.949 14.742 ( 0.003 0.912 0.264) 0.949 15.224 ( 0.476 -14.943 8.777) 17.336 15.224 ( 0.476 14.943 8.777) 17.336 ======================= Grid point 141 (72/160) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.121 -7.336 -8.320) 11.093 0.819 ( -0.121 7.336 -8.320) 11.093 1.325 ( -3.124 -4.932 1.711) 6.083 1.325 ( -3.124 4.932 1.711) 6.083 1.454 ( 1.656 -3.033 -0.504) 3.492 1.454 ( 1.656 3.033 -0.504) 3.492 1.529 ( -3.964 -5.812 -2.705) 7.537 1.529 ( -3.964 5.812 -2.705) 7.537 1.781 ( 1.460 -1.470 -1.719) 2.693 1.781 ( 1.460 1.470 -1.719) 2.693 2.012 ( 3.217 -4.998 2.960) 6.641 2.012 ( 3.217 4.998 2.960) 6.641 2.396 ( -2.782 -3.561 -2.693) 5.261 2.396 ( -2.782 3.561 -2.693) 5.261 2.743 ( -3.551 -3.109 9.916) 10.982 2.743 ( -3.551 3.109 9.916) 10.982 2.965 ( -0.389 -2.361 3.698) 4.405 2.965 ( -0.389 2.361 3.698) 4.405 3.100 ( 1.074 -4.085 -1.131) 4.373 3.100 ( 1.074 4.085 -1.131) 4.373 3.375 ( 3.025 -12.523 6.233) 14.312 3.375 ( 3.025 12.523 6.233) 14.312 3.753 ( -3.025 -9.579 1.980) 10.239 3.753 ( -3.025 9.579 1.980) 10.239 4.159 ( -4.857 -1.085 0.574) 5.010 4.159 ( -4.857 1.085 0.574) 5.010 4.397 ( -8.917 -3.599 4.072) 10.443 4.397 ( -8.917 3.599 4.072) 10.443 4.489 ( -2.474 -3.964 1.943) 5.060 4.489 ( -2.474 3.964 1.943) 5.060 4.747 ( 0.166 -7.863 -1.496) 8.006 4.747 ( 0.166 7.863 -1.496) 8.006 4.982 ( 6.218 -10.078 0.684) 11.862 4.982 ( 6.218 10.078 0.684) 11.862 5.222 ( 1.943 -4.095 -4.870) 6.653 5.222 ( 1.943 4.095 -4.870) 6.653 6.464 ( -4.673 -3.671 -0.941) 6.017 6.464 ( -4.673 3.671 -0.941) 6.017 6.716 ( 1.723 -2.559 0.333) 3.103 6.716 ( 1.723 2.559 0.333) 3.103 7.039 ( -1.900 -4.321 5.687) 7.390 7.039 ( -1.900 4.321 5.687) 7.390 7.410 ( -1.481 -2.826 -3.080) 4.435 7.410 ( -1.481 2.826 -3.080) 4.435 7.736 ( 7.896 -8.664 -5.588) 12.985 7.736 ( 7.896 8.664 -5.588) 12.985 7.905 ( 4.415 -2.752 -1.759) 5.492 7.905 ( 4.415 2.752 -1.759) 5.492 11.382 ( -0.982 -0.626 -0.330) 1.210 11.382 ( -0.982 0.626 -0.330) 1.210 11.632 ( 5.363 -4.002 -3.622) 7.609 11.632 ( 5.363 4.002 -3.622) 7.609 13.360 ( 5.716 -1.668 -0.032) 5.955 13.360 ( 5.716 1.668 -0.032) 5.955 13.564 ( 0.680 -5.039 -6.856) 8.535 13.564 ( 0.680 5.039 -6.856) 8.535 14.741 ( -0.514 -0.665 0.296) 0.891 14.741 ( -0.514 0.665 0.296) 0.891 15.240 ( -10.793 -11.083 8.465) 17.635 15.240 ( -10.793 11.083 8.465) 17.635 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 3.282 -5.989 -3.929) 7.879 0.777 ( 3.282 5.989 -3.929) 7.879 1.271 ( -5.672 -4.240 -0.442) 7.095 1.271 ( -5.672 4.240 -0.442) 7.095 1.442 ( -0.038 -0.984 0.372) 1.053 1.442 ( -0.038 0.984 0.372) 1.053 1.527 ( 1.901 -1.000 3.077) 3.753 1.527 ( 1.901 1.000 3.077) 3.753 1.790 ( 1.408 -2.549 -1.479) 3.266 1.790 ( 1.408 2.549 -1.479) 3.266 1.985 ( -3.671 -1.065 -4.908) 6.220 1.985 ( -3.671 1.065 -4.908) 6.220 2.382 ( 0.997 -0.870 1.850) 2.274 2.382 ( 0.997 0.870 1.850) 2.274 2.783 ( -2.343 -2.143 6.127) 6.901 2.783 ( -2.343 2.143 6.127) 6.901 2.991 ( -0.696 -3.652 2.912) 4.722 2.991 ( -0.696 3.652 2.912) 4.722 3.105 ( 0.685 -4.240 -1.928) 4.708 3.105 ( 0.685 4.240 -1.928) 4.708 3.465 ( -5.373 -8.718 8.802) 13.504 3.465 ( -5.373 8.718 8.802) 13.504 3.685 ( -3.624 -11.153 -2.624) 12.017 3.685 ( -3.624 11.153 -2.624) 12.017 4.034 ( -8.170 -3.874 -0.709) 9.070 4.034 ( -8.170 3.874 -0.709) 9.070 4.313 ( -6.563 -3.419 4.411) 8.615 4.313 ( -6.563 3.419 4.411) 8.615 4.518 ( -0.193 -1.620 4.515) 4.800 4.518 ( -0.193 1.620 4.515) 4.800 4.729 ( 0.273 -5.262 -1.649) 5.521 4.729 ( 0.273 5.262 -1.649) 5.521 5.073 ( 2.882 -2.608 1.099) 4.039 5.073 ( 2.882 2.608 1.099) 4.039 5.215 ( 4.947 -1.947 -4.908) 7.236 5.215 ( 4.947 1.947 -4.908) 7.236 6.383 ( -5.448 -3.153 0.896) 6.358 6.383 ( -5.448 3.153 0.896) 6.358 6.746 ( 1.071 -3.014 1.735) 3.639 6.746 ( 1.071 3.014 1.735) 3.639 7.048 ( -3.167 -2.575 1.926) 4.513 7.048 ( -3.167 2.575 1.926) 4.513 7.355 ( 3.070 -3.221 -7.727) 8.917 7.355 ( 3.070 3.221 -7.727) 8.917 7.806 ( 4.146 -3.126 1.050) 5.298 7.806 ( 4.146 3.126 1.050) 5.298 7.990 ( 8.865 -2.277 -3.145) 9.678 7.990 ( 8.865 2.277 -3.145) 9.678 11.399 ( 1.581 -1.323 2.359) 3.133 11.399 ( 1.581 1.323 2.359) 3.133 11.679 ( 6.890 -3.186 -5.305) 9.260 11.679 ( 6.890 3.186 -5.305) 9.260 13.453 ( 4.809 -4.386 -1.689) 6.725 13.453 ( 4.809 4.386 -1.689) 6.725 13.558 ( 6.583 -5.784 -1.351) 8.866 13.558 ( 6.583 5.784 -1.351) 8.866 14.732 ( -1.057 -0.726 0.300) 1.317 14.732 ( -1.057 0.726 0.300) 1.317 15.073 ( -19.218 -6.996 4.780) 21.003 15.073 ( -19.218 6.996 4.780) 21.003 ======================= Grid point 145 (74/160) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 3.570 -6.539 0.172) 7.452 0.818 ( 3.570 6.539 0.172) 7.452 1.167 ( -4.624 -2.920 -1.027) 5.564 1.167 ( -4.624 2.920 -1.027) 5.564 1.481 ( 1.351 -1.552 3.060) 3.688 1.481 ( 1.351 1.552 3.060) 3.688 1.602 ( 2.076 -3.472 2.985) 5.027 1.602 ( 2.076 3.472 2.985) 5.027 1.779 ( -0.642 -4.333 -1.541) 4.643 1.779 ( -0.642 4.333 -1.541) 4.643 1.882 ( -0.606 -3.662 -4.760) 6.036 1.882 ( -0.606 3.662 -4.760) 6.036 2.421 ( 0.831 -2.736 1.748) 3.352 2.421 ( 0.831 2.736 1.748) 3.352 2.801 ( -1.602 -2.710 2.190) 3.835 2.801 ( -1.602 2.710 2.190) 3.835 3.001 ( -2.722 -7.879 2.022) 8.578 3.001 ( -2.722 7.879 2.022) 8.578 3.057 ( -3.580 -3.980 -1.953) 5.699 3.057 ( -3.580 3.980 -1.953) 5.699 3.354 ( -13.298 -2.657 1.875) 13.690 3.354 ( -13.298 2.657 1.875) 13.690 3.631 ( -1.060 -2.823 -0.892) 3.144 3.631 ( -1.060 2.823 -0.892) 3.144 3.944 ( -2.042 -3.015 -0.947) 3.763 3.944 ( -2.042 3.015 -0.947) 3.763 4.290 ( -1.622 -1.611 2.048) 3.069 4.290 ( -1.622 1.611 2.048) 3.069 4.546 ( -1.785 -2.169 2.079) 3.495 4.546 ( -1.785 2.169 2.079) 3.495 4.721 ( 0.458 -2.008 -0.347) 2.089 4.721 ( 0.458 2.008 -0.347) 2.089 5.102 ( 2.282 -4.026 -1.674) 4.921 5.102 ( 2.282 4.026 -1.674) 4.921 5.269 ( 4.141 -1.372 0.200) 4.367 5.269 ( 4.141 1.372 0.200) 4.367 6.311 ( -4.885 -1.933 0.745) 5.306 6.311 ( -4.885 1.933 0.745) 5.306 6.800 ( 1.762 -1.978 3.772) 4.609 6.800 ( 1.762 1.978 3.772) 4.609 6.974 ( -3.379 -0.412 -4.432) 5.588 6.974 ( -3.379 0.412 -4.432) 5.588 7.352 ( 3.767 -2.448 -2.716) 5.250 7.352 ( 3.767 2.448 -2.716) 5.250 7.884 ( 3.113 -0.831 1.569) 3.584 7.884 ( 3.113 0.831 1.569) 3.584 8.093 ( 7.271 -2.235 -1.257) 7.710 8.093 ( 7.271 2.235 -1.257) 7.710 11.463 ( 1.817 -1.166 2.749) 3.496 11.463 ( 1.817 1.166 2.749) 3.496 11.745 ( 8.024 -1.181 -2.970) 8.637 11.745 ( 8.024 1.181 -2.970) 8.637 13.492 ( 4.617 -5.361 -2.421) 7.478 13.492 ( 4.617 5.361 -2.421) 7.478 13.709 ( 9.317 -5.717 2.915) 11.314 13.709 ( 9.317 5.717 2.915) 11.314 14.689 ( -10.167 -0.732 -0.041) 10.193 14.689 ( -10.167 0.732 -0.041) 10.193 14.787 ( -14.025 -4.089 0.011) 14.609 14.787 ( -14.025 4.089 0.011) 14.609 ======================= Grid point 147 (75/160) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.505 -3.752 3.537) 5.181 0.869 ( 0.505 3.752 3.537) 5.181 1.141 ( -0.205 -3.030 2.990) 4.262 1.141 ( -0.205 3.030 2.990) 4.262 1.530 ( 1.457 -1.697 1.291) 2.583 1.530 ( 1.457 1.697 1.291) 2.583 1.593 ( -2.629 -2.912 -3.806) 5.466 1.593 ( -2.629 2.912 -3.806) 5.466 1.782 ( 2.851 -2.805 -1.305) 4.208 1.782 ( 2.851 2.805 -1.305) 4.208 1.861 ( -0.232 -4.443 0.796) 4.519 1.861 ( -0.232 4.443 0.796) 4.519 2.453 ( 2.133 -3.621 0.709) 4.262 2.453 ( 2.133 3.621 0.709) 4.262 2.761 ( -1.862 -5.342 -6.015) 8.257 2.761 ( -1.862 5.342 -6.015) 8.257 2.924 ( -6.842 -7.512 4.058) 10.941 2.924 ( -6.842 7.512 4.058) 10.941 3.001 ( -4.956 -1.836 0.641) 5.324 3.001 ( -4.956 1.836 0.641) 5.324 3.174 ( -5.883 -3.513 -4.061) 7.965 3.174 ( -5.883 3.513 -4.061) 7.965 3.638 ( 1.173 -2.031 1.693) 2.893 3.638 ( 1.173 2.031 1.693) 2.893 3.919 ( -0.330 -3.463 -1.244) 3.695 3.919 ( -0.330 3.463 -1.244) 3.695 4.275 ( 0.327 -0.853 -4.095) 4.195 4.275 ( 0.327 0.853 -4.095) 4.195 4.502 ( -1.479 -2.148 -4.026) 4.797 4.502 ( -1.479 2.148 -4.026) 4.797 4.742 ( -0.015 -0.649 2.707) 2.783 4.742 ( -0.015 0.649 2.707) 2.783 5.123 ( 2.112 -4.460 -1.030) 5.041 5.123 ( 2.112 4.460 -1.030) 5.041 5.326 ( 1.349 -1.961 1.967) 3.088 5.326 ( 1.349 1.961 1.967) 3.088 6.247 ( -3.051 -1.194 -0.825) 3.378 6.247 ( -3.051 1.194 -0.825) 3.378 6.808 ( -0.892 -1.332 -6.469) 6.665 6.808 ( -0.892 1.332 -6.469) 6.665 6.952 ( 1.375 -1.331 6.858) 7.120 6.952 ( 1.375 1.331 6.858) 7.120 7.409 ( 1.975 -1.464 4.747) 5.346 7.409 ( 1.975 1.464 4.747) 5.346 7.911 ( 1.679 -0.694 -4.018) 4.410 7.911 ( 1.679 0.694 -4.018) 4.410 8.193 ( 3.781 -2.128 3.283) 5.441 8.193 ( 3.781 2.128 3.283) 5.441 11.487 ( 0.409 -1.015 -1.818) 2.122 11.487 ( 0.409 1.015 -1.818) 2.122 11.880 ( 6.476 -1.228 5.974) 8.896 11.880 ( 6.476 1.228 5.974) 8.896 13.546 ( 6.079 -7.088 -4.028) 10.169 13.546 ( 6.079 7.088 -4.028) 10.169 13.888 ( 6.994 -5.493 5.527) 10.471 13.888 ( 6.994 5.493 5.527) 10.471 14.356 ( -19.640 -2.091 -4.892) 20.348 14.356 ( -19.640 2.091 -4.892) 20.348 14.727 ( -0.844 -0.438 -0.120) 0.958 14.727 ( -0.844 0.438 -0.120) 0.958 ======================= Grid point 149 (76/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.771 -2.897 6.247) 6.929 0.924 ( -0.771 2.897 6.247) 6.929 1.197 ( -0.284 -2.147 7.011) 7.337 1.197 ( -0.284 2.147 7.011) 7.337 1.485 ( -1.027 -2.826 -7.612) 8.184 1.485 ( -1.027 2.826 -7.612) 8.184 1.555 ( -0.074 -2.552 -0.100) 2.555 1.555 ( -0.074 2.552 -0.100) 2.555 1.776 ( -1.019 -3.757 -2.525) 4.640 1.776 ( -1.019 3.757 -2.525) 4.640 1.889 ( 1.902 -2.679 1.741) 3.718 1.889 ( 1.902 2.679 1.741) 3.718 2.486 ( -1.565 -2.564 0.446) 3.037 2.486 ( -1.565 2.564 0.446) 3.037 2.657 ( 2.695 -4.933 -8.886) 10.514 2.657 ( 2.695 4.933 -8.886) 10.514 2.880 ( -3.878 -3.785 -5.178) 7.495 2.880 ( -3.878 3.785 -5.178) 7.495 2.940 ( 1.362 -3.440 3.933) 5.399 2.940 ( 1.362 3.440 3.933) 5.399 3.111 ( 0.951 -3.125 -1.987) 3.823 3.111 ( 0.951 3.125 -1.987) 3.823 3.674 ( -0.826 -0.256 2.799) 2.929 3.674 ( -0.826 0.256 2.799) 2.929 3.906 ( 0.973 -3.853 -1.450) 4.231 3.906 ( 0.973 3.853 -1.450) 4.231 4.203 ( 0.422 -2.341 -9.205) 9.507 4.203 ( 0.422 2.341 -9.205) 9.507 4.447 ( 0.126 -1.997 -3.283) 3.845 4.447 ( 0.126 1.997 -3.283) 3.845 4.764 ( -0.628 -2.412 1.955) 3.168 4.764 ( -0.628 2.412 1.955) 3.168 5.132 ( 0.374 -3.221 -1.243) 3.472 5.132 ( 0.374 3.221 -1.243) 3.472 5.357 ( -0.396 -1.320 2.491) 2.847 5.357 ( -0.396 1.320 2.491) 2.847 6.202 ( -0.159 -1.613 -2.435) 2.926 6.202 ( -0.159 1.613 -2.435) 2.926 6.721 ( -0.236 -1.283 -6.149) 6.286 6.721 ( -0.236 1.283 -6.149) 6.286 7.075 ( 0.869 -1.128 9.980) 10.081 7.075 ( 0.869 1.128 9.980) 10.081 7.511 ( 0.147 -1.166 9.775) 9.845 7.511 ( 0.147 1.166 9.775) 9.845 7.855 ( 0.074 -1.579 -7.759) 7.919 7.855 ( 0.074 1.579 -7.759) 7.919 8.270 ( -0.179 -0.980 4.889) 4.990 8.270 ( -0.179 0.980 4.889) 4.990 11.449 ( -0.668 -0.485 -3.799) 3.888 11.449 ( -0.668 0.485 -3.799) 3.888 12.045 ( -0.063 -0.840 12.775) 12.803 12.045 ( -0.063 0.840 12.775) 12.803 13.566 ( 2.844 -7.233 -5.802) 9.699 13.566 ( 2.844 7.233 -5.802) 9.699 13.949 ( -10.251 -15.165 0.328) 18.308 13.949 ( -10.251 15.165 0.328) 18.308 14.156 ( 7.800 -14.342 -2.607) 16.533 14.156 ( 7.800 14.342 -2.607) 16.533 14.719 ( 0.013 -0.270 -0.240) 0.362 14.719 ( 0.013 0.270 -0.240) 0.362 ======================= Grid point 151 (77/160) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -2.097 -6.116 6.035) 8.845 0.966 ( -2.097 6.116 6.035) 8.845 1.265 ( -1.566 -3.259 5.654) 6.711 1.265 ( -1.566 3.259 5.654) 6.711 1.420 ( 0.159 -2.833 -1.883) 3.405 1.420 ( 0.159 2.833 -1.883) 3.405 1.538 ( -0.888 -2.361 -0.151) 2.527 1.538 ( -0.888 2.361 -0.151) 2.527 1.732 ( 0.598 -5.295 -3.914) 6.611 1.732 ( 0.598 5.295 -3.914) 6.611 1.946 ( 3.263 -2.570 0.990) 4.270 1.946 ( 3.263 2.570 0.990) 4.270 2.403 ( -3.267 -3.426 -4.775) 6.724 2.403 ( -3.267 3.426 -4.775) 6.724 2.603 ( 0.152 -2.472 -9.395) 9.716 2.603 ( 0.152 2.472 -9.395) 9.716 2.842 ( 7.201 -9.065 -5.003) 12.611 2.842 ( 7.201 9.065 -5.003) 12.611 3.037 ( 4.649 -5.967 1.194) 7.658 3.037 ( 4.649 5.967 1.194) 7.658 3.148 ( 5.222 -7.219 1.477) 9.031 3.148 ( 5.222 7.219 1.477) 9.031 3.666 ( -2.544 -2.376 1.594) 3.828 3.666 ( -2.544 2.376 1.594) 3.828 3.921 ( 2.002 -2.799 -0.592) 3.491 3.921 ( 2.002 2.799 -0.592) 3.491 4.109 ( 0.793 -4.698 -8.497) 9.742 4.109 ( 0.793 4.698 -8.497) 9.742 4.437 ( 1.920 -2.584 -1.623) 3.605 4.437 ( 1.920 2.584 -1.623) 3.605 4.766 ( -0.931 -3.129 0.912) 3.389 4.766 ( -0.931 3.129 0.912) 3.389 5.110 ( -1.018 -1.190 -1.510) 2.175 5.110 ( -1.018 1.190 -1.510) 2.175 5.370 ( -1.559 -0.480 2.552) 3.029 5.370 ( -1.559 0.480 2.552) 3.029 6.194 ( 3.083 -2.573 -2.994) 5.009 6.194 ( 3.083 2.573 -2.994) 5.009 6.673 ( 1.057 -2.182 -3.637) 4.371 6.673 ( 1.057 2.182 -3.637) 4.371 7.169 ( -3.000 -1.576 8.952) 9.572 7.169 ( -3.000 1.576 8.952) 9.572 7.583 ( -4.105 -1.898 5.545) 7.155 7.583 ( -4.105 1.898 5.545) 7.155 7.788 ( 2.103 -3.233 -3.810) 5.421 7.788 ( 2.103 3.233 -3.810) 5.421 8.286 ( -4.408 -1.051 4.152) 6.146 8.286 ( -4.408 1.051 4.152) 6.146 11.398 ( -0.880 -0.574 -2.680) 2.878 11.398 ( -0.880 0.574 -2.680) 2.878 12.118 ( -9.540 -1.201 12.827) 16.031 12.118 ( -9.540 1.201 12.827) 16.031 13.535 ( 0.722 -5.584 -2.363) 6.106 13.535 ( 0.722 5.584 -2.363) 6.106 13.783 ( -6.201 -13.893 -3.456) 15.602 13.783 ( -6.201 13.893 -3.456) 15.602 14.338 ( 15.492 -14.508 -3.035) 21.441 14.338 ( 15.492 14.508 -3.035) 21.441 14.722 ( 0.818 -0.330 -0.339) 0.945 14.722 ( 0.818 0.330 -0.339) 0.945 ======================= Grid point 153 (78/160) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.627 -10.107 7.612) 12.757 1.012 ( -1.627 10.107 7.612) 12.757 1.275 ( -0.789 -4.891 1.752) 5.254 1.275 ( -0.789 4.891 1.752) 5.254 1.411 ( -0.016 -2.590 -0.164) 2.595 1.411 ( -0.016 2.590 -0.164) 2.595 1.567 ( -0.488 -2.744 6.068) 6.677 1.567 ( -0.488 2.744 6.068) 6.677 1.703 ( 2.899 -4.765 -6.809) 8.802 1.703 ( 2.899 4.765 -6.809) 8.802 2.003 ( 2.531 -3.423 -0.672) 4.310 2.003 ( 2.531 3.423 -0.672) 4.310 2.322 ( 1.345 -2.894 -5.475) 6.337 2.322 ( 1.345 2.894 -5.475) 6.337 2.507 ( 0.686 -1.972 -6.518) 6.845 2.507 ( 0.686 1.972 -6.518) 6.845 2.919 ( 5.047 -9.259 -1.255) 10.619 2.919 ( 5.047 9.259 -1.255) 10.619 3.082 ( 2.861 -5.661 -1.904) 6.622 3.082 ( 2.861 5.661 -1.904) 6.622 3.277 ( 5.114 -10.975 2.555) 12.375 3.277 ( 5.114 10.975 2.555) 12.375 3.653 ( 0.406 -6.965 -0.572) 7.000 3.653 ( 0.406 6.965 -0.572) 7.000 3.953 ( 3.584 -2.054 -0.087) 4.132 3.953 ( 3.584 2.054 -0.087) 4.132 4.072 ( 4.934 -5.405 -5.466) 9.134 4.072 ( 4.934 5.405 -5.466) 9.134 4.460 ( 1.810 -2.936 -0.190) 3.454 4.460 ( 1.810 2.936 -0.190) 3.454 4.759 ( -0.877 -3.589 0.545) 3.735 4.759 ( -0.877 3.589 0.545) 3.735 5.077 ( -1.396 -2.140 -0.710) 2.652 5.077 ( -1.396 2.140 -0.710) 2.652 5.360 ( -2.796 -0.546 1.775) 3.356 5.360 ( -2.796 0.546 1.775) 3.356 6.237 ( 6.132 -3.669 -2.259) 7.494 6.237 ( 6.132 3.669 -2.259) 7.494 6.673 ( 2.501 -2.898 -1.557) 4.133 6.673 ( 2.501 2.898 -1.557) 4.133 7.160 ( -7.891 -3.859 4.669) 9.948 7.160 ( -7.891 3.859 4.669) 9.948 7.515 ( -4.645 -5.004 -1.325) 6.955 7.515 ( -4.645 5.004 -1.325) 6.955 7.835 ( 2.382 -7.167 2.494) 7.954 7.835 ( 2.382 7.167 2.494) 7.954 8.221 ( -8.465 -2.698 2.499) 9.229 8.221 ( -8.465 2.698 2.499) 9.229 11.371 ( -0.164 -0.672 -0.500) 0.854 11.371 ( -0.164 0.672 -0.500) 0.854 12.032 ( -14.195 -2.589 6.923) 16.004 12.032 ( -14.195 2.589 6.923) 16.004 13.542 ( -1.665 -6.539 0.996) 6.821 13.542 ( -1.665 6.539 0.996) 6.821 13.685 ( -2.519 -6.660 0.612) 7.147 13.685 ( -2.519 6.660 0.612) 7.147 14.548 ( 17.210 -13.974 -5.946) 22.952 14.548 ( 17.210 13.974 -5.946) 22.952 14.740 ( 2.517 -1.271 -0.726) 2.912 14.740 ( 2.517 1.271 -0.726) 2.912 ======================= Grid point 155 (79/160) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.776 -9.959 4.950) 11.149 1.069 ( -0.776 9.959 4.950) 11.149 1.283 ( -0.815 -6.556 2.673) 7.126 1.283 ( -0.815 6.556 2.673) 7.126 1.442 ( 3.135 -5.535 -1.679) 6.579 1.442 ( 3.135 5.535 -1.679) 6.579 1.611 ( 0.867 -6.589 1.806) 6.886 1.611 ( 0.867 6.589 1.806) 6.886 1.688 ( 2.389 -3.781 -1.699) 4.785 1.688 ( 2.389 3.781 -1.699) 4.785 1.972 ( -2.961 -5.438 -4.038) 7.392 1.972 ( -2.961 5.438 -4.038) 7.392 2.341 ( 3.911 -3.676 -0.175) 5.370 2.341 ( 3.911 3.676 -0.175) 5.370 2.514 ( 4.493 -1.349 0.476) 4.715 2.514 ( 4.493 1.349 0.476) 4.715 2.943 ( -1.395 -4.960 0.510) 5.177 2.943 ( -1.395 4.960 0.510) 5.177 3.106 ( 1.983 -5.630 -0.813) 6.024 3.106 ( 1.983 5.630 -0.813) 6.024 3.323 ( -0.459 -5.774 -0.092) 5.793 3.323 ( -0.459 5.774 -0.092) 5.793 3.659 ( 1.855 -8.608 -1.392) 8.915 3.659 ( 1.855 8.608 -1.392) 8.915 4.048 ( 6.885 -4.292 -1.182) 8.198 4.048 ( 6.885 4.292 -1.182) 8.198 4.149 ( 10.774 -3.690 -1.102) 11.441 4.149 ( 10.774 3.690 -1.102) 11.441 4.477 ( -0.010 -2.941 0.677) 3.018 4.477 ( -0.010 2.941 0.677) 3.018 4.759 ( 0.342 -4.664 0.382) 4.692 4.759 ( 0.342 4.664 0.382) 4.692 5.045 ( -2.617 -6.580 -0.058) 7.082 5.045 ( -2.617 6.580 -0.058) 7.082 5.323 ( -3.401 -1.788 0.708) 3.907 5.323 ( -3.401 1.788 0.708) 3.907 6.335 ( 8.411 -3.923 -1.057) 9.341 6.335 ( 8.411 3.923 -1.057) 9.341 6.710 ( 2.934 -3.090 -0.210) 4.266 6.710 ( 2.934 3.090 -0.210) 4.266 7.048 ( -8.561 -4.026 0.861) 9.500 7.048 ( -8.561 4.026 0.861) 9.500 7.445 ( -2.999 -4.594 -0.555) 5.514 7.445 ( -2.999 4.594 -0.555) 5.514 7.882 ( 1.050 -8.325 0.705) 8.421 7.882 ( 1.050 8.325 0.705) 8.421 8.080 ( -11.258 -3.859 0.664) 11.920 8.080 ( -11.258 3.859 0.664) 11.920 11.382 ( 0.959 -0.430 1.127) 1.541 11.382 ( 0.959 0.430 1.127) 1.541 11.859 ( -12.416 -3.830 1.137) 13.043 11.859 ( -12.416 3.830 1.137) 13.043 13.459 ( -6.679 -5.518 -0.931) 8.713 13.459 ( -6.679 5.518 -0.931) 8.713 13.716 ( 0.515 -6.681 3.086) 7.377 13.716 ( 0.515 6.681 3.086) 7.377 14.702 ( 4.932 -2.922 -0.835) 5.793 14.702 ( 4.932 2.922 -0.835) 5.793 14.834 ( 13.884 -13.253 -2.673) 19.379 14.834 ( 13.883 13.253 -2.673) 19.379 ======================= Grid point 157 (80/160) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -1.767 -6.711 -3.958) 7.989 1.059 ( -1.767 6.711 -3.958) 7.989 1.327 ( 1.587 -7.177 2.285) 7.698 1.327 ( 1.587 7.177 2.285) 7.698 1.438 ( 2.682 -3.228 -4.230) 5.959 1.438 ( 2.682 3.228 -4.230) 5.959 1.640 ( 0.668 -4.405 0.442) 4.478 1.640 ( 0.668 4.405 0.442) 4.478 1.751 ( 2.945 -6.138 3.694) 7.746 1.751 ( 2.945 6.138 3.694) 7.746 1.861 ( -4.322 -5.760 -3.172) 7.869 1.861 ( -4.322 5.760 -3.172) 7.869 2.417 ( 1.156 -4.169 6.034) 7.425 2.417 ( 1.156 4.169 6.034) 7.425 2.609 ( 3.535 -3.199 2.610) 5.435 2.609 ( 3.535 3.199 2.610) 5.435 2.915 ( -2.939 -2.571 2.239) 4.501 2.915 ( -2.939 2.571 2.239) 4.501 3.120 ( 1.098 -3.532 -1.108) 3.861 3.120 ( 1.098 3.532 -1.108) 3.861 3.296 ( -1.557 -13.790 -0.353) 13.882 3.296 ( -1.557 13.790 -0.353) 13.882 3.685 ( 1.887 -7.021 0.846) 7.320 3.685 ( 1.887 7.021 0.846) 7.320 4.111 ( 3.837 -5.987 -1.241) 7.218 4.111 ( 3.837 5.987 -1.241) 7.218 4.355 ( 11.218 -7.999 1.961) 13.917 4.355 ( 11.218 7.999 1.961) 13.917 4.490 ( 1.605 -4.141 1.056) 4.565 4.490 ( 1.605 4.141 1.056) 4.565 4.760 ( -1.157 -6.120 -0.480) 6.247 4.760 ( -1.157 6.120 -0.480) 6.247 4.984 ( -4.341 -11.824 -0.482) 12.605 4.984 ( -4.341 11.824 -0.482) 12.605 5.279 ( -2.095 -3.185 -0.577) 3.855 5.279 ( -2.095 3.185 -0.577) 3.855 6.460 ( 8.042 -2.678 -1.133) 8.551 6.460 ( 8.042 2.678 -1.133) 8.551 6.727 ( -1.353 -1.949 -0.418) 2.410 6.727 ( -1.353 1.949 -0.418) 2.410 6.970 ( -2.799 -2.646 3.074) 4.928 6.970 ( -2.799 2.646 3.074) 4.928 7.412 ( 0.242 -2.551 -0.906) 2.718 7.412 ( 0.242 2.551 -0.906) 2.718 7.862 ( -5.443 -2.358 -2.482) 6.430 7.862 ( -5.443 2.358 -2.482) 6.430 7.922 ( -4.777 -1.770 -0.529) 5.122 7.922 ( -4.777 1.770 -0.529) 5.122 11.417 ( 1.226 -0.587 1.291) 1.874 11.417 ( 1.226 0.587 1.291) 1.874 11.690 ( -7.486 -4.704 -2.322) 9.141 11.690 ( -7.486 4.704 -2.322) 9.141 13.355 ( -4.909 -2.575 -0.393) 5.558 13.355 ( -4.909 2.575 -0.393) 5.558 13.718 ( -0.206 -7.947 -3.458) 8.669 13.718 ( -0.206 7.947 -3.458) 8.669 14.734 ( 0.780 -0.936 0.231) 1.240 14.734 ( 0.780 0.936 0.231) 1.240 15.054 ( 11.003 -16.812 4.015) 20.490 15.054 ( 11.003 16.812 4.015) 20.490 ======================= Grid point 189 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.488 0.000 16.100) 16.108 0.734 ( 5.158 0.000 18.443) 19.151 1.162 ( -1.203 0.000 -12.143) 12.203 1.303 ( -4.083 0.000 -8.828) 9.727 1.430 ( 3.785 0.000 1.314) 4.007 1.469 ( 2.488 0.000 -1.767) 3.052 1.497 ( -5.133 0.000 22.713) 23.286 1.784 ( -0.581 0.000 -3.431) 3.480 1.786 ( -4.272 0.000 -4.677) 6.334 1.966 ( -2.973 0.000 -4.032) 5.009 2.143 ( -0.194 0.000 5.839) 5.842 2.274 ( -1.649 0.000 1.946) 2.551 2.291 ( 5.182 0.000 1.732) 5.463 2.366 ( 1.947 0.000 -3.366) 3.889 2.456 ( 7.462 0.000 5.637) 9.352 2.628 ( -3.144 0.000 -4.691) 5.647 2.697 ( 2.867 0.000 -0.133) 2.870 2.712 ( -5.947 0.000 -3.925) 7.125 2.829 ( 0.565 0.000 -1.471) 1.576 2.866 ( -0.515 0.000 -1.091) 1.207 3.234 ( 2.587 0.000 4.809) 5.460 3.529 ( -1.319 0.000 -9.700) 9.789 3.653 ( -2.980 0.000 13.662) 13.984 3.762 ( -0.000 0.000 3.027) 3.027 3.790 ( 0.531 0.000 6.986) 7.006 3.949 ( -1.949 0.000 -1.222) 2.301 4.046 ( 2.222 0.000 3.530) 4.171 4.117 ( 0.116 0.000 -0.897) 0.905 4.357 ( 0.049 0.000 17.225) 17.225 4.581 ( 1.620 0.000 4.993) 5.250 4.890 ( -0.937 0.000 1.784) 2.015 4.989 ( -3.550 0.000 -1.771) 3.967 4.999 ( -2.121 0.000 -2.827) 3.534 5.202 ( 3.700 0.000 -4.178) 5.581 5.222 ( 0.647 0.000 1.046) 1.230 5.600 ( 1.161 0.000 -21.012) 21.044 6.293 ( 0.645 0.000 6.994) 7.023 6.529 ( 0.376 0.000 -3.571) 3.591 6.720 ( -1.225 0.000 1.297) 1.785 6.823 ( -3.439 0.000 -1.758) 3.863 6.950 ( -1.843 0.000 6.411) 6.670 7.213 ( 3.355 0.000 -6.569) 7.376 7.431 ( -1.244 0.000 3.085) 3.327 7.543 ( 1.498 0.000 -2.848) 3.218 7.625 ( 6.995 0.000 2.646) 7.479 7.745 ( -1.888 0.000 -2.032) 2.774 7.785 ( -5.262 0.000 2.610) 5.874 8.055 ( 1.578 0.000 -10.730) 10.846 11.314 ( -0.135 0.000 1.410) 1.417 11.364 ( 0.210 0.000 -1.147) 1.166 11.589 ( 3.182 0.000 7.329) 7.990 12.026 ( -3.377 0.000 -15.623) 15.984 13.249 ( -0.851 0.000 0.517) 0.996 13.250 ( -1.823 0.000 0.517) 1.895 13.474 ( 4.004 0.000 -0.058) 4.005 13.492 ( -3.235 0.000 -0.828) 3.339 14.713 ( 0.211 0.000 1.941) 1.953 14.754 ( -0.164 0.000 -0.568) 0.591 14.935 ( 5.267 0.000 20.962) 21.614 15.630 ( -4.032 0.000 -14.039) 14.607 ======================= Grid point 190 (82/160) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 3.951 0.000 9.460) 10.252 1.009 ( 3.584 0.000 3.897) 5.295 1.089 ( 9.094 0.000 0.523) 9.109 1.141 ( 1.043 0.000 -11.292) 11.340 1.451 ( -1.927 0.000 -5.154) 5.503 1.456 ( 2.041 0.000 -0.217) 2.053 1.666 ( -4.091 0.000 0.590) 4.134 1.702 ( -2.970 0.000 8.655) 9.150 1.801 ( 5.032 0.000 7.144) 8.738 1.893 ( -1.564 0.000 -2.065) 2.591 2.197 ( -1.975 0.000 6.766) 7.048 2.256 ( -1.937 0.000 0.657) 2.045 2.354 ( 1.967 0.000 -5.127) 5.492 2.360 ( 1.549 0.000 -2.530) 2.966 2.501 ( -9.268 0.000 -0.055) 9.268 2.576 ( 1.006 0.000 -5.125) 5.223 2.602 ( 5.380 0.000 1.576) 5.606 2.735 ( 0.088 0.000 0.434) 0.443 2.846 ( 2.206 0.000 -0.487) 2.259 2.846 ( 0.150 0.000 -0.322) 0.355 3.329 ( 0.157 0.000 9.419) 9.420 3.432 ( 2.836 0.000 -11.178) 11.532 3.692 ( -3.271 0.000 6.694) 7.450 3.781 ( -1.074 0.000 1.019) 1.480 3.870 ( 0.284 0.000 5.268) 5.275 3.915 ( 0.964 0.000 -2.883) 3.040 4.128 ( 2.934 0.000 -2.382) 3.779 4.137 ( 5.435 0.000 1.748) 5.709 4.564 ( -2.219 0.000 18.694) 18.825 4.609 ( -1.590 0.000 -1.344) 2.082 4.849 ( -3.491 0.000 -3.436) 4.898 4.917 ( -2.922 0.000 2.546) 3.876 5.029 ( 5.006 0.000 5.650) 7.548 5.218 ( 2.413 0.000 -4.239) 4.878 5.249 ( -0.495 0.000 4.228) 4.257 5.412 ( 4.485 0.000 -21.920) 22.374 6.372 ( -0.557 0.000 6.717) 6.740 6.459 ( -1.630 0.000 -6.521) 6.721 6.771 ( 2.401 0.000 5.274) 5.795 6.804 ( 3.219 0.000 -2.155) 3.874 6.978 ( -2.968 0.000 5.619) 6.354 7.143 ( -1.537 0.000 -5.442) 5.655 7.445 ( -1.172 0.000 2.387) 2.659 7.494 ( -3.113 0.000 -2.756) 4.157 7.678 ( -2.028 0.000 -6.040) 6.371 7.726 ( -0.741 0.000 3.430) 3.509 7.796 ( 2.721 0.000 5.309) 5.966 7.974 ( 1.979 0.000 -8.237) 8.471 11.333 ( 0.607 0.000 1.303) 1.437 11.359 ( 0.799 0.000 -1.255) 1.488 11.704 ( -1.370 0.000 9.932) 10.026 11.771 ( -7.054 0.000 -12.597) 14.438 13.246 ( -0.568 0.000 1.593) 1.691 13.247 ( -0.475 0.000 0.700) 0.846 13.448 ( -1.192 0.000 -2.312) 2.601 13.517 ( 1.662 0.000 0.608) 1.769 14.737 ( 0.648 0.000 1.173) 1.340 14.748 ( 0.467 0.000 -0.730) 0.867 15.262 ( 6.239 0.000 20.345) 21.280 15.414 ( -0.282 0.000 -17.931) 17.933 ======================= Grid point 191 (83/160) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.111 0.000 -3.988) 3.990 1.025 ( 4.681 0.000 -4.353) 6.392 1.128 ( 1.756 0.000 -1.118) 2.082 1.212 ( -5.348 0.000 -0.725) 5.397 1.434 ( 5.997 0.000 6.685) 8.981 1.497 ( 2.549 0.000 0.856) 2.689 1.681 ( 0.802 0.000 3.011) 3.116 1.689 ( -3.434 0.000 1.816) 3.885 1.842 ( -6.243 0.000 -0.503) 6.263 1.858 ( -0.891 0.000 -1.356) 1.623 2.221 ( -3.347 0.000 6.079) 6.940 2.238 ( 0.359 0.000 -1.487) 1.530 2.309 ( -2.570 0.000 -2.350) 3.482 2.313 ( -0.638 0.000 -4.024) 4.074 2.523 ( 7.973 0.000 -5.458) 9.662 2.588 ( 4.068 0.000 8.212) 9.164 2.677 ( -1.820 0.000 -7.040) 7.271 2.691 ( 3.676 0.000 0.850) 3.773 2.860 ( 0.858 0.000 -0.526) 1.006 2.892 ( 3.801 0.000 2.273) 4.429 3.357 ( 4.648 0.000 -11.706) 12.595 3.444 ( -1.196 0.000 11.438) 11.501 3.705 ( -2.192 0.000 2.015) 2.977 3.749 ( -0.402 0.000 -3.081) 3.107 3.920 ( 4.618 0.000 -4.665) 6.564 3.962 ( 4.532 0.000 5.458) 7.094 4.157 ( 4.738 0.000 -3.141) 5.685 4.248 ( 6.778 0.000 0.529) 6.799 4.510 ( -1.961 0.000 -9.302) 9.507 4.639 ( -1.486 0.000 -0.369) 1.531 4.777 ( -4.294 0.000 4.339) 6.104 4.966 ( 0.823 0.000 7.023) 7.071 5.133 ( -1.937 0.000 2.884) 3.474 5.178 ( -1.679 0.000 -3.670) 4.036 5.243 ( 1.553 0.000 -17.403) 17.472 5.363 ( 0.623 0.000 16.445) 16.457 6.360 ( -1.407 0.000 -6.050) 6.211 6.418 ( -2.427 0.000 5.705) 6.199 6.805 ( -4.381 0.000 -0.111) 4.382 6.841 ( 3.390 0.000 -1.710) 3.797 6.988 ( -0.386 0.000 1.358) 1.412 7.172 ( 8.666 0.000 4.057) 9.568 7.396 ( -5.492 0.000 -2.172) 5.906 7.437 ( -2.262 0.000 1.152) 2.539 7.547 ( -3.185 0.000 -8.955) 9.504 7.757 ( -2.237 0.000 7.571) 7.894 7.905 ( 3.234 0.000 4.536) 5.571 7.937 ( 1.633 0.000 -4.053) 4.370 11.359 ( 1.026 0.000 1.051) 1.468 11.361 ( 1.133 0.000 -1.355) 1.766 11.581 ( -2.604 0.000 -6.456) 6.961 11.757 ( -5.598 0.000 9.547) 11.067 13.244 ( -1.457 0.000 1.451) 2.056 13.257 ( -0.676 0.000 1.631) 1.766 13.394 ( -1.306 0.000 -3.156) 3.415 13.557 ( 0.461 0.000 4.257) 4.282 14.752 ( 0.771 0.000 -0.667) 1.019 14.756 ( 0.437 0.000 0.670) 0.800 15.239 ( 5.204 0.000 -20.123) 20.785 15.541 ( 3.390 0.000 14.486) 14.878 ======================= Grid point 192 (84/160) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -3.893 0.000 1.825) 4.300 1.049 ( 5.730 0.000 -7.987) 9.830 1.092 ( -1.638 0.000 -2.190) 2.735 1.121 ( -7.962 0.000 9.704) 12.552 1.565 ( 3.662 0.000 2.787) 4.602 1.596 ( 3.880 0.000 4.212) 5.727 1.626 ( -2.663 0.000 -3.253) 4.204 1.665 ( -7.831 0.000 0.759) 7.867 1.772 ( -2.500 0.000 1.574) 2.955 1.847 ( 1.919 0.000 -1.179) 2.253 2.202 ( -6.302 0.000 -3.469) 7.194 2.237 ( 1.301 0.000 -5.234) 5.394 2.242 ( -2.034 0.000 5.856) 6.199 2.258 ( -2.486 0.000 3.604) 4.378 2.522 ( -0.491 0.000 -12.358) 12.368 2.544 ( 3.968 0.000 -3.888) 5.556 2.764 ( 1.741 0.000 -0.168) 1.749 2.806 ( 6.056 0.000 4.139) 7.335 2.911 ( 10.756 0.000 -3.355) 11.267 2.990 ( 4.774 0.000 3.382) 5.850 3.337 ( 7.369 0.000 -10.260) 12.632 3.473 ( -0.335 0.000 -4.697) 4.709 3.672 ( -2.732 0.000 0.047) 2.732 3.760 ( 2.028 0.000 1.434) 2.484 3.968 ( 7.409 0.000 -1.733) 7.608 4.091 ( 3.063 0.000 4.538) 5.476 4.200 ( 5.718 0.000 -4.673) 7.385 4.358 ( 6.735 0.000 0.180) 6.738 4.399 ( 1.591 0.000 -7.442) 7.610 4.578 ( 1.767 0.000 -7.583) 7.787 4.768 ( -5.863 0.000 4.808) 7.582 5.005 ( -2.650 0.000 -3.724) 4.571 5.078 ( -6.838 0.000 2.604) 7.317 5.095 ( -3.067 0.000 -7.291) 7.910 5.136 ( 0.502 0.000 3.929) 3.961 5.505 ( -6.095 0.000 13.733) 15.025 6.300 ( 0.646 0.000 -3.195) 3.260 6.424 ( -3.882 0.000 4.664) 6.068 6.713 ( -2.996 0.000 -2.186) 3.709 6.860 ( 0.245 0.000 -0.081) 0.258 7.006 ( 4.817 0.000 -4.258) 6.429 7.291 ( -5.117 0.000 -0.758) 5.173 7.326 ( 3.546 0.000 -8.570) 9.275 7.414 ( -4.527 0.000 -2.225) 5.044 7.485 ( 5.908 0.000 12.013) 13.387 7.814 ( -3.354 0.000 9.910) 10.462 7.929 ( 1.140 0.000 -1.372) 1.784 7.989 ( 1.504 0.000 3.778) 4.066 11.363 ( 1.126 0.000 -1.250) 1.683 11.385 ( 0.855 0.000 0.717) 1.116 11.542 ( 1.729 0.000 -1.077) 2.037 11.741 ( -7.475 0.000 6.417) 9.851 13.232 ( -2.370 0.000 1.709) 2.922 13.256 ( -1.115 0.000 0.875) 1.418 13.373 ( 1.136 0.000 1.450) 1.843 13.625 ( -1.594 0.000 9.126) 9.264 14.752 ( 0.388 0.000 -1.101) 1.167 14.765 ( 0.079 0.000 0.191) 0.206 15.150 ( 11.195 0.000 -18.863) 21.935 15.656 ( -2.270 0.000 4.164) 4.743 ======================= Grid point 193 (85/160) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -7.173 0.000 13.096) 14.932 1.067 ( 3.462 0.000 0.729) 3.538 1.109 ( 5.347 0.000 -0.983) 5.437 1.167 ( -0.554 0.000 7.966) 7.985 1.494 ( -11.150 0.000 -0.574) 11.165 1.560 ( -1.297 0.000 -3.447) 3.683 1.626 ( -1.867 0.000 -1.172) 2.204 1.658 ( 4.003 0.000 1.901) 4.431 1.761 ( 0.010 0.000 -0.220) 0.220 1.861 ( 1.898 0.000 -2.449) 3.098 2.038 ( -8.633 0.000 -4.634) 9.798 2.172 ( -2.367 0.000 -2.355) 3.339 2.304 ( 0.881 0.000 6.858) 6.914 2.312 ( 2.323 0.000 2.442) 3.371 2.415 ( 2.679 0.000 -10.903) 11.228 2.569 ( 3.630 0.000 -2.663) 4.502 2.749 ( -0.409 0.000 -2.178) 2.216 2.773 ( -7.762 0.000 -5.092) 9.283 3.088 ( 3.843 0.000 -1.038) 3.981 3.112 ( 16.874 0.000 -4.002) 17.342 3.330 ( 6.077 0.000 -9.288) 11.100 3.432 ( 6.088 0.000 -7.793) 9.889 3.627 ( -4.238 0.000 0.966) 4.347 3.738 ( -5.396 0.000 -1.636) 5.638 4.095 ( 6.724 0.000 -1.014) 6.800 4.137 ( -1.151 0.000 1.861) 2.189 4.252 ( 6.909 0.000 -0.896) 6.967 4.427 ( 6.885 0.000 -1.084) 6.970 4.456 ( 4.967 0.000 -0.989) 5.065 4.564 ( 5.789 0.000 -4.106) 7.097 4.659 ( -11.231 0.000 0.545) 11.244 4.915 ( 0.200 0.000 -3.221) 3.227 4.947 ( -7.514 0.000 -4.622) 8.821 5.011 ( -6.097 0.000 3.584) 7.072 5.222 ( 1.976 0.000 4.843) 5.231 5.479 ( -8.597 0.000 4.997) 9.944 6.311 ( 2.731 0.000 -0.040) 2.732 6.401 ( -4.596 0.000 3.226) 5.615 6.687 ( -0.219 0.000 1.463) 1.480 6.858 ( -0.615 0.000 0.899) 1.089 7.040 ( 7.401 0.000 -7.635) 10.633 7.216 ( -1.272 0.000 -10.337) 10.415 7.235 ( -1.800 0.000 0.974) 2.046 7.342 ( -3.617 0.000 -0.006) 3.617 7.746 ( 7.720 0.000 11.747) 14.056 7.855 ( -6.095 0.000 10.533) 12.169 7.945 ( 1.852 0.000 0.059) 1.853 8.034 ( -0.387 0.000 2.616) 2.645 11.372 ( 1.372 0.000 -0.669) 1.526 11.398 ( -0.046 0.000 0.359) 0.362 11.572 ( 2.012 0.000 0.057) 2.013 11.674 ( -7.082 0.000 2.812) 7.619 13.213 ( -1.824 0.000 1.208) 2.188 13.245 ( -0.888 0.000 0.243) 0.921 13.478 ( 4.271 0.000 9.111) 10.063 13.693 ( -4.529 0.000 11.294) 12.168 14.743 ( 0.710 0.000 -1.567) 1.720 14.764 ( -0.230 0.000 -0.110) 0.255 15.175 ( 14.891 0.000 -14.302) 20.647 15.564 ( -7.968 0.000 -5.670) 9.780 ======================= Grid point 194 (86/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.506 0.000 16.787) 16.795 1.170 ( 2.140 0.000 7.913) 8.197 1.183 ( 3.113 0.000 -0.050) 3.113 1.232 ( 0.976 0.000 0.714) 1.210 1.382 ( -2.936 0.000 2.475) 3.840 1.493 ( -2.531 0.000 -3.009) 3.931 1.547 ( -3.838 0.000 -1.710) 4.202 1.710 ( 2.106 0.000 -3.415) 4.012 1.760 ( 0.401 0.000 -1.838) 1.881 1.857 ( 1.743 0.000 -3.367) 3.791 1.872 ( -3.930 0.000 -1.602) 4.244 2.097 ( -0.421 0.000 -8.058) 8.069 2.313 ( 2.405 0.000 -6.804) 7.217 2.402 ( 2.175 0.000 4.629) 5.115 2.411 ( 1.464 0.000 3.158) 3.481 2.547 ( -4.992 0.000 -9.986) 11.164 2.604 ( 1.205 0.000 -0.566) 1.331 2.723 ( 0.603 0.000 -3.142) 3.200 3.088 ( -1.149 0.000 -1.659) 2.018 3.185 ( 1.546 0.000 -7.943) 8.092 3.418 ( -7.819 0.000 -1.494) 7.960 3.442 ( 11.525 0.000 -1.792) 11.664 3.544 ( -4.809 0.000 0.546) 4.839 3.618 ( -0.269 0.000 -3.474) 3.484 4.119 ( -2.161 0.000 0.159) 2.166 4.149 ( 4.125 0.000 -2.247) 4.697 4.358 ( 2.434 0.000 3.084) 3.929 4.417 ( -10.956 0.000 -0.747) 10.982 4.512 ( -3.565 0.000 -0.409) 3.588 4.531 ( 6.610 0.000 -0.488) 6.628 4.671 ( 8.281 0.000 0.734) 8.314 4.764 ( -8.939 0.000 -4.264) 9.904 4.953 ( -3.960 0.000 0.479) 3.989 5.000 ( 12.288 0.000 0.129) 12.288 5.287 ( 1.258 0.000 2.452) 2.756 5.395 ( -5.334 0.000 0.926) 5.414 6.352 ( -4.906 0.000 1.607) 5.163 6.374 ( 4.351 0.000 0.942) 4.451 6.717 ( -0.913 0.000 4.791) 4.878 6.871 ( -0.229 0.000 2.750) 2.760 7.054 ( 6.369 0.000 -9.940) 11.805 7.078 ( -2.882 0.000 -8.117) 8.613 7.257 ( 2.664 0.000 1.203) 2.923 7.300 ( -1.166 0.000 -0.681) 1.351 7.851 ( -8.709 0.000 10.018) 13.275 7.937 ( 1.265 0.000 6.517) 6.639 8.012 ( 7.161 0.000 1.976) 7.429 8.035 ( -1.932 0.000 1.079) 2.213 11.388 ( -1.456 0.000 -0.034) 1.457 11.391 ( 1.467 0.000 -0.123) 1.472 11.596 ( -4.995 0.000 0.956) 5.085 11.610 ( 3.138 0.000 0.525) 3.181 13.206 ( -0.722 0.000 1.193) 1.395 13.237 ( -0.164 0.000 -0.008) 0.164 13.680 ( 5.756 0.000 11.934) 13.250 13.723 ( -6.194 0.000 9.098) 11.006 14.745 ( 1.040 0.000 -0.643) 1.222 14.755 ( -0.510 0.000 -0.365) 0.627 15.286 ( 15.123 0.000 -9.108) 17.654 15.298 ( -13.535 0.000 -10.941) 17.404 ======================= Grid point 195 (87/160) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -14.599 0.000 -1.230) 14.651 1.188 ( -6.301 0.000 -5.881) 8.619 1.243 ( 0.894 0.000 4.102) 4.198 1.289 ( 5.131 0.000 10.837) 11.991 1.420 ( 3.767 0.000 3.504) 5.145 1.481 ( 3.303 0.000 0.741) 3.385 1.567 ( 2.449 0.000 5.679) 6.184 1.637 ( 1.140 0.000 -8.574) 8.650 1.785 ( 1.957 0.000 1.505) 2.469 1.838 ( 0.444 0.000 -3.716) 3.743 1.882 ( 0.790 0.000 2.512) 2.633 2.010 ( 4.955 0.000 -10.718) 11.808 2.320 ( 1.951 0.000 2.179) 2.925 2.356 ( -2.341 0.000 -7.083) 7.460 2.465 ( 1.796 0.000 1.096) 2.104 2.492 ( 0.531 0.000 0.297) 0.608 2.633 ( 1.725 0.000 0.834) 1.916 2.689 ( 0.548 0.000 -4.176) 4.211 3.030 ( -5.418 0.000 0.987) 5.507 3.102 ( -2.645 0.000 -4.162) 4.931 3.171 ( -15.813 0.000 -0.707) 15.829 3.347 ( -11.165 0.000 -0.674) 11.185 3.666 ( 5.401 0.000 -0.715) 5.448 3.672 ( 8.575 0.000 0.955) 8.628 4.074 ( -2.902 0.000 -1.297) 3.178 4.185 ( 2.358 0.000 -0.828) 2.499 4.221 ( -12.799 0.000 2.367) 13.016 4.365 ( -5.068 0.000 2.607) 5.699 4.436 ( -6.721 0.000 -0.723) 6.760 4.581 ( -4.935 0.000 -3.923) 6.304 4.659 ( 6.357 0.000 0.916) 6.422 4.793 ( 4.205 0.000 1.468) 4.454 4.933 ( 3.848 0.000 -1.601) 4.167 5.228 ( 16.593 0.000 -5.381) 17.444 5.336 ( 1.321 0.000 5.985) 6.129 5.337 ( -2.978 0.000 -0.098) 2.980 6.290 ( -4.481 0.000 0.887) 4.568 6.462 ( 5.459 0.000 0.605) 5.492 6.750 ( -2.647 0.000 5.601) 6.195 6.901 ( -0.753 0.000 3.162) 3.250 6.965 ( -1.136 0.000 -5.120) 5.245 7.017 ( 3.299 0.000 -10.183) 10.704 7.290 ( 1.432 0.000 -1.429) 2.023 7.330 ( 4.997 0.000 0.614) 5.034 7.808 ( -9.274 0.000 8.105) 12.316 7.978 ( -0.958 0.000 2.470) 2.649 8.001 ( -2.408 0.000 -0.729) 2.516 8.148 ( 6.267 0.000 0.727) 6.309 11.357 ( -2.099 0.000 -0.085) 2.100 11.407 ( 0.505 0.000 -0.065) 0.509 11.545 ( -2.968 0.000 1.085) 3.160 11.703 ( 7.524 0.000 1.616) 7.695 13.216 ( 0.215 0.000 1.218) 1.237 13.241 ( 0.679 0.000 0.050) 0.681 13.698 ( -5.893 0.000 3.545) 6.878 13.901 ( 6.554 0.000 9.929) 11.897 14.733 ( -1.611 0.000 -2.200) 2.727 14.757 ( 0.675 0.000 0.091) 0.681 14.921 ( -18.520 0.000 -9.064) 20.619 15.436 ( 12.673 0.000 -3.923) 13.266 ======================= Grid point 196 (88/160) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -16.374 0.000 5.882) 17.398 0.951 ( -14.331 0.000 -4.627) 15.060 1.338 ( 10.191 0.000 -4.583) 11.174 1.437 ( -4.157 0.000 11.082) 11.836 1.496 ( 2.261 0.000 1.276) 2.596 1.530 ( 3.270 0.000 -3.956) 5.132 1.590 ( -1.499 0.000 -0.971) 1.786 1.660 ( 2.881 0.000 0.773) 2.983 1.803 ( -0.043 0.000 -0.379) 0.381 1.832 ( 1.862 0.000 -0.445) 1.914 1.897 ( -2.084 0.000 3.870) 4.395 2.054 ( 7.369 0.000 -0.810) 7.413 2.264 ( -2.549 0.000 -3.553) 4.373 2.381 ( -0.984 0.000 2.454) 2.644 2.476 ( 1.865 0.000 -3.332) 3.818 2.494 ( 2.922 0.000 -0.824) 3.036 2.677 ( 1.166 0.000 3.510) 3.699 2.694 ( 2.656 0.000 3.447) 4.352 2.940 ( -2.995 0.000 -2.615) 3.976 3.008 ( -6.105 0.000 -0.911) 6.173 3.031 ( -6.046 0.000 5.114) 7.919 3.170 ( -9.793 0.000 0.097) 9.793 3.719 ( 2.110 0.000 -1.158) 2.406 3.750 ( 0.187 0.000 1.153) 1.168 4.002 ( -4.778 0.000 0.000) 4.778 4.083 ( -8.513 0.000 1.643) 8.670 4.193 ( -1.275 0.000 0.333) 1.318 4.290 ( -6.937 0.000 1.722) 7.148 4.303 ( -7.312 0.000 -1.215) 7.412 4.474 ( -2.689 0.000 -2.828) 3.903 4.792 ( 6.654 0.000 2.316) 7.046 4.844 ( 1.913 0.000 0.705) 2.039 5.017 ( 5.337 0.000 0.585) 5.369 5.287 ( -2.658 0.000 -1.185) 2.910 5.310 ( 7.228 0.000 -8.160) 10.901 5.540 ( 11.052 0.000 7.718) 13.480 6.236 ( -3.650 0.000 1.252) 3.859 6.540 ( 3.768 0.000 -0.851) 3.863 6.751 ( -3.324 0.000 4.162) 5.327 6.864 ( -0.637 0.000 -9.187) 9.209 6.958 ( 4.790 0.000 -1.554) 5.036 6.982 ( -2.133 0.000 4.225) 4.733 7.312 ( 3.291 0.000 -1.412) 3.581 7.418 ( 5.387 0.000 0.041) 5.387 7.739 ( -7.687 0.000 3.208) 8.329 7.954 ( -1.552 0.000 -1.612) 2.238 7.966 ( -2.908 0.000 0.752) 3.004 8.213 ( 3.986 0.000 -3.503) 5.306 11.328 ( -1.710 0.000 0.452) 1.768 11.405 ( -0.398 0.000 -0.286) 0.490 11.521 ( -2.075 0.000 1.383) 2.493 11.876 ( 12.153 0.000 0.599) 12.168 13.237 ( 0.677 0.000 1.164) 1.347 13.260 ( 1.456 0.000 0.403) 1.511 13.613 ( -4.617 0.000 -3.987) 6.101 14.093 ( 8.996 0.000 0.344) 9.003 14.460 ( -23.932 0.000 -0.824) 23.946 14.744 ( -2.608 0.000 0.867) 2.748 14.765 ( 0.177 0.000 0.070) 0.190 15.591 ( 8.970 0.000 1.095) 9.037 ======================= Grid point 197 (89/160) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -10.712 0.000 15.266) 18.650 0.680 ( -16.523 0.000 1.995) 16.643 1.364 ( -26.380 0.000 16.773) 31.261 1.391 ( 7.287 0.000 -10.959) 13.161 1.453 ( 0.947 0.000 -5.934) 6.009 1.526 ( -2.939 0.000 -0.637) 3.007 1.578 ( -1.290 0.000 1.220) 1.775 1.719 ( 10.436 0.000 -0.508) 10.449 1.839 ( 1.436 0.000 -0.199) 1.450 1.850 ( 3.364 0.000 0.959) 3.498 1.975 ( 3.788 0.000 5.007) 6.278 2.175 ( 4.853 0.000 3.931) 6.245 2.187 ( -4.390 0.000 0.767) 4.456 2.332 ( -2.657 0.000 -1.868) 3.248 2.516 ( 1.550 0.000 -4.211) 4.487 2.523 ( 8.467 0.000 -2.039) 8.709 2.762 ( -6.925 0.000 3.909) 7.952 2.769 ( 3.641 0.000 5.495) 6.592 2.892 ( 1.920 0.000 -8.081) 8.306 2.920 ( -4.651 0.000 2.669) 5.363 3.023 ( -2.407 0.000 5.561) 6.059 3.130 ( 1.068 0.000 12.332) 12.379 3.716 ( 0.027 0.000 -0.849) 0.849 3.739 ( -2.307 0.000 1.410) 2.704 3.897 ( -7.591 0.000 -3.455) 8.340 3.996 ( -4.285 0.000 2.990) 5.225 4.149 ( -4.135 0.000 -3.575) 5.466 4.192 ( -7.223 0.000 4.687) 8.610 4.219 ( -3.430 0.000 1.858) 3.901 4.441 ( 0.066 0.000 0.095) 0.116 4.876 ( 0.162 0.000 1.902) 1.909 4.903 ( 4.738 0.000 1.406) 4.942 5.080 ( 1.115 0.000 1.073) 1.547 5.231 ( -1.461 0.000 -2.417) 2.824 5.316 ( 4.494 0.000 -8.005) 9.180 5.787 ( 10.293 0.000 3.249) 10.793 6.206 ( -2.459 0.000 2.068) 3.212 6.556 ( 0.353 0.000 -1.203) 1.254 6.756 ( -1.034 0.000 2.167) 2.401 6.757 ( 0.216 0.000 -5.067) 5.071 7.008 ( -4.342 0.000 8.239) 9.313 7.054 ( 8.527 0.000 -1.465) 8.652 7.359 ( 3.700 0.000 -0.329) 3.715 7.489 ( 3.501 0.000 -0.634) 3.557 7.631 ( -5.018 0.000 -4.179) 6.530 7.904 ( -4.812 0.000 -0.743) 4.869 7.917 ( -1.167 0.000 -1.990) 2.307 8.204 ( 2.514 0.000 -7.047) 7.482 11.312 ( -1.332 0.000 0.886) 1.600 11.392 ( -0.567 0.000 -0.577) 0.809 11.499 ( -2.023 0.000 0.179) 2.031 12.067 ( 13.508 0.000 -4.414) 14.211 13.258 ( 0.371 0.000 0.928) 0.999 13.300 ( 2.761 0.000 0.935) 2.915 13.467 ( -4.328 0.000 -8.780) 9.789 13.942 ( -12.493 0.000 -15.841) 20.175 14.386 ( -3.682 0.000 22.425) 22.725 14.723 ( -1.279 0.000 0.597) 1.412 14.765 ( -0.110 0.000 -0.002) 0.110 15.738 ( 6.193 0.000 3.073) 6.914 ======================= Grid point 198 (90/160) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -8.108 0.000 14.217) 16.367 0.605 ( -13.206 0.000 13.180) 18.658 1.239 ( -13.164 0.000 24.986) 28.242 1.323 ( -0.624 0.000 -11.869) 11.886 1.444 ( 1.481 0.000 -2.367) 2.792 1.461 ( -0.834 0.000 -0.784) 1.145 1.511 ( -6.073 0.000 -1.959) 6.381 1.835 ( 0.095 0.000 -3.725) 3.726 1.849 ( 2.915 0.000 -4.163) 5.082 1.950 ( 9.599 0.000 0.365) 9.606 2.074 ( 1.370 0.000 5.044) 5.226 2.197 ( 1.683 0.000 4.525) 4.828 2.259 ( 1.239 0.000 1.395) 1.866 2.323 ( 1.364 0.000 3.819) 4.055 2.426 ( -4.249 0.000 -5.311) 6.801 2.683 ( -1.973 0.000 0.244) 1.988 2.688 ( 9.017 0.000 1.818) 9.199 2.768 ( -4.022 0.000 -8.828) 9.701 2.863 ( -2.566 0.000 -1.481) 2.962 2.864 ( 1.177 0.000 2.388) 2.662 3.109 ( 5.514 0.000 4.976) 7.427 3.413 ( 3.661 0.000 23.860) 24.139 3.684 ( -3.506 0.000 -7.773) 8.527 3.727 ( 0.078 0.000 2.641) 2.642 3.763 ( -4.185 0.000 2.545) 4.898 3.995 ( -1.468 0.000 4.474) 4.708 4.019 ( -4.644 0.000 -3.532) 5.834 4.152 ( -3.439 0.000 0.733) 3.516 4.233 ( -1.048 0.000 7.090) 7.167 4.483 ( 1.649 0.000 5.623) 5.860 4.888 ( -1.742 0.000 2.669) 3.187 4.980 ( 5.053 0.000 -1.180) 5.189 5.066 ( -2.377 0.000 -1.363) 2.740 5.207 ( 0.878 0.000 -0.980) 1.315 5.260 ( -1.672 0.000 -5.909) 6.141 5.816 ( 0.101 0.000 -14.456) 14.456 6.217 ( -0.339 0.000 5.013) 5.024 6.545 ( 0.164 0.000 -1.174) 1.185 6.747 ( -1.673 0.000 -0.105) 1.676 6.817 ( 5.075 0.000 4.009) 6.467 6.984 ( -8.906 0.000 4.076) 9.795 7.168 ( 8.590 0.000 -3.580) 9.306 7.409 ( 1.496 0.000 1.259) 1.955 7.492 ( 2.323 0.000 -2.036) 3.089 7.566 ( 1.910 0.000 -2.070) 2.816 7.813 ( -4.579 0.000 -1.352) 4.774 7.857 ( -4.107 0.000 -1.154) 4.266 8.144 ( 1.795 0.000 -9.599) 9.765 11.306 ( -0.857 0.000 1.284) 1.544 11.377 ( -0.292 0.000 -0.900) 0.946 11.489 ( 0.771 0.000 2.608) 2.720 12.155 ( 7.679 0.000 -12.101) 14.332 13.262 ( -0.968 0.000 0.465) 1.074 13.307 ( -3.076 0.000 -3.915) 4.979 13.391 ( 4.197 0.000 1.456) 4.442 13.623 ( -11.199 0.000 -4.747) 12.163 14.616 ( 1.515 0.000 19.411) 19.470 14.724 ( 0.397 0.000 2.528) 2.559 14.762 ( -0.230 0.000 -0.191) 0.299 15.792 ( 0.558 0.000 -6.384) 6.408 ======================= Grid point 199 (91/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -5.071 9.630 11.830) 16.075 0.896 ( 3.732 10.498 14.455) 18.251 1.176 ( -0.261 1.610 -11.706) 11.819 1.329 ( -2.235 0.900 -7.456) 7.835 1.441 ( 0.285 1.084 0.015) 1.121 1.467 ( 3.097 -0.567 -1.450) 3.467 1.557 ( 0.007 5.488 19.178) 19.948 1.704 ( -0.330 -8.174 -1.881) 8.394 1.788 ( -3.264 -1.540 -5.081) 6.232 1.886 ( 0.561 -3.646 -0.463) 3.718 2.081 ( -1.946 -3.471 3.942) 5.601 2.224 ( 1.268 -6.962 -2.962) 7.672 2.333 ( -1.367 4.224 1.321) 4.632 2.448 ( 4.290 6.750 -0.519) 8.014 2.537 ( 3.333 6.638 4.200) 8.533 2.585 ( -1.822 -1.464 -2.588) 3.487 2.650 ( 1.054 -2.491 -0.630) 2.777 2.730 ( -3.487 3.141 -3.272) 5.721 2.863 ( 0.070 5.855 4.085) 7.139 3.019 ( -0.741 8.005 -2.501) 8.419 3.165 ( 1.560 -4.403 6.079) 7.666 3.490 ( -0.946 -4.436 -7.364) 8.649 3.607 ( -0.975 -1.748 14.797) 14.932 3.811 ( -2.808 5.831 1.537) 6.652 3.851 ( 3.444 2.901 2.904) 5.358 3.942 ( -1.686 0.561 -1.223) 2.157 4.103 ( 1.431 4.058 3.430) 5.503 4.157 ( -0.176 4.189 -0.744) 4.258 4.378 ( -0.127 2.116 14.957) 15.107 4.600 ( 2.931 1.835 4.438) 5.626 4.872 ( -0.927 -1.908 1.865) 2.824 4.962 ( -5.638 -3.243 0.136) 6.505 4.988 ( -0.371 -1.034 -3.753) 3.910 5.090 ( 3.542 -3.251 -1.572) 5.058 5.319 ( 0.216 2.638 -2.045) 3.344 5.631 ( 0.837 0.441 -17.625) 17.650 6.322 ( 0.209 2.847 6.989) 7.549 6.575 ( 1.890 3.050 -3.052) 4.710 6.720 ( -0.501 -0.243 0.144) 0.575 6.809 ( -3.507 -2.455 -0.916) 4.378 6.961 ( -1.385 3.018 2.183) 3.974 7.124 ( 2.156 -6.293 -4.424) 7.989 7.389 ( 0.123 -3.504 4.623) 5.802 7.567 ( 1.985 0.017 -2.549) 3.230 7.654 ( 6.642 2.677 -0.015) 7.161 7.715 ( -6.994 -2.693 -1.227) 7.594 7.773 ( -1.757 -0.676 2.664) 3.262 8.035 ( 1.324 -2.093 -10.331) 10.624 11.318 ( -0.299 0.558 1.378) 1.516 11.368 ( -0.391 0.370 -1.092) 1.218 11.551 ( 1.438 -2.656 5.963) 6.684 11.924 ( -1.993 -8.796 -13.272) 16.047 13.272 ( -1.406 2.555 1.083) 3.111 13.311 ( 0.053 2.865 -0.789) 2.972 13.479 ( -2.648 -1.244 -0.261) 2.937 13.530 ( 2.483 5.334 -4.101) 7.171 14.721 ( 0.032 0.765 1.558) 1.736 14.758 ( -0.078 0.289 -0.505) 0.587 14.940 ( 4.293 1.216 21.886) 22.336 15.614 ( -2.489 -1.448 -12.058) 12.397 ======================= Grid point 200 (92/160) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.951 2.607 10.831) 11.525 1.086 ( 2.726 5.824 1.745) 6.663 1.114 ( 5.095 1.899 0.287) 5.445 1.206 ( 0.321 3.982 -7.644) 8.625 1.422 ( -1.416 -0.908 -2.724) 3.202 1.497 ( 1.290 2.080 -1.219) 2.734 1.614 ( -5.211 -4.491 0.743) 6.919 1.702 ( -1.569 -3.339 0.485) 3.721 1.786 ( 3.059 -0.763 6.371) 7.108 1.871 ( -0.314 -2.369 -2.005) 3.120 2.096 ( -1.836 -6.721 4.505) 8.297 2.222 ( 2.488 -6.820 -3.739) 8.166 2.331 ( -2.223 6.483 4.324) 8.103 2.417 ( -4.274 2.402 -4.627) 6.741 2.506 ( -3.440 1.110 2.745) 4.539 2.631 ( -0.271 4.567 -3.612) 5.829 2.671 ( 6.340 7.055 1.463) 9.598 2.700 ( 1.871 -0.453 -0.463) 1.980 2.911 ( 0.586 6.175 3.623) 7.183 2.961 ( -1.699 6.205 -3.386) 7.270 3.272 ( 0.925 -3.915 9.767) 10.563 3.401 ( 2.433 -2.761 -10.019) 10.674 3.706 ( -3.891 0.390 7.501) 8.459 3.763 ( -1.245 1.036 0.158) 1.627 3.938 ( 0.935 2.147 -1.177) 2.620 3.946 ( 4.726 4.906 2.063) 7.118 4.150 ( 2.372 3.293 -0.757) 4.129 4.188 ( 4.984 4.531 0.217) 6.739 4.555 ( -1.467 -0.075 15.530) 15.599 4.633 ( -0.972 1.745 -1.719) 2.635 4.833 ( -3.953 -1.819 -2.048) 4.809 4.899 ( -3.103 -1.841 1.551) 3.927 5.002 ( 4.399 -2.434 4.295) 6.613 5.157 ( 5.754 -3.409 -2.214) 7.045 5.292 ( -3.295 1.824 1.876) 4.208 5.430 ( -1.442 0.105 -16.750) 16.812 6.393 ( -1.183 1.967 6.873) 7.247 6.528 ( -0.321 5.387 -8.164) 9.787 6.757 ( 1.863 -1.390 3.227) 3.977 6.808 ( 4.755 0.071 0.189) 4.759 6.955 ( -2.997 -1.499 3.902) 5.143 7.070 ( -1.571 -5.325 -4.364) 7.061 7.384 ( -5.411 -4.228 1.831) 7.107 7.511 ( -6.778 -1.218 -1.544) 7.058 7.648 ( 3.037 -0.698 -1.893) 3.646 7.779 ( 4.423 3.263 -0.423) 5.513 7.799 ( 1.311 0.575 4.749) 4.961 7.954 ( 2.252 -1.995 -7.833) 8.391 11.328 ( -0.144 -0.125 0.995) 1.013 11.373 ( 2.034 1.188 -0.451) 2.398 11.635 ( -1.451 -5.525 7.698) 9.586 11.731 ( -3.927 -3.411 -10.121) 11.379 13.269 ( -0.585 2.045 1.311) 2.498 13.324 ( 1.277 5.428 0.049) 5.577 13.440 ( -1.414 -0.558 -1.282) 1.989 13.551 ( 3.240 2.923 -1.065) 4.491 14.738 ( 0.222 0.097 1.077) 1.103 14.751 ( 0.202 0.276 -0.658) 0.742 15.233 ( 2.885 -2.297 19.188) 19.540 15.409 ( -2.125 -0.307 -16.079) 16.222 ======================= Grid point 201 (93/160) ======================= q-point: ( 0.20 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -1.749 3.908 0.889) 4.373 1.059 ( -0.503 2.849 -5.506) 6.220 1.164 ( 4.309 4.313 -4.013) 7.299 1.242 ( -3.749 2.752 1.097) 4.778 1.356 ( 0.664 -5.999 4.755) 7.684 1.533 ( 3.457 1.366 3.083) 4.829 1.615 ( -1.924 -5.324 4.346) 7.137 1.709 ( 1.723 -0.247 -0.138) 1.746 1.775 ( -1.250 -5.181 -3.693) 6.484 1.863 ( -2.925 -0.613 0.588) 3.046 2.071 ( -4.492 -7.096 0.863) 8.443 2.190 ( 1.109 -7.897 -2.866) 8.474 2.322 ( -1.638 2.051 -0.025) 2.625 2.386 ( -2.150 6.032 1.649) 6.612 2.546 ( 2.620 -2.380 2.878) 4.562 2.604 ( 2.846 4.721 -3.362) 6.457 2.677 ( -0.186 1.871 -3.197) 3.709 2.781 ( 5.519 8.152 -0.202) 9.846 2.879 ( -0.535 3.511 -2.278) 4.220 2.995 ( 1.910 6.029 3.762) 7.358 3.324 ( 2.582 -2.424 -8.631) 9.330 3.418 ( 2.938 -1.915 8.007) 8.741 3.720 ( -0.936 1.286 3.556) 3.896 3.747 ( 0.344 0.111 -2.634) 2.658 3.908 ( 1.135 0.472 -4.780) 4.936 4.054 ( 3.410 5.320 3.280) 7.120 4.173 ( 3.283 2.797 -2.942) 5.221 4.307 ( 8.927 5.597 0.607) 10.554 4.523 ( -1.891 1.075 -8.778) 9.044 4.639 ( -0.934 0.191 -1.893) 2.119 4.765 ( -4.397 -1.274 4.948) 6.741 4.922 ( -1.042 -5.193 5.238) 7.449 5.097 ( -0.247 -2.435 1.375) 2.807 5.176 ( 0.448 -1.343 -4.792) 4.997 5.245 ( -1.589 0.723 -10.244) 10.392 5.313 ( -2.790 -4.521 13.667) 14.663 6.394 ( -2.338 2.917 -5.111) 6.332 6.457 ( -2.535 2.783 3.914) 5.430 6.798 ( -1.531 -0.097 0.397) 1.585 6.868 ( 0.997 2.164 -1.521) 2.826 6.956 ( 0.057 -2.973 0.736) 3.063 7.055 ( 4.342 -8.999 -0.252) 9.995 7.330 ( -0.642 -2.777 2.259) 3.637 7.410 ( -5.809 -4.639 1.931) 7.681 7.632 ( 0.603 6.938 -7.178) 10.001 7.805 ( -1.088 2.989 4.779) 5.741 7.898 ( 2.961 -0.534 2.012) 3.620 7.955 ( 3.953 1.707 -0.641) 4.354 11.343 ( 1.091 0.336 0.591) 1.285 11.412 ( 2.645 3.238 0.432) 4.203 11.572 ( -1.945 -1.144 -5.507) 5.951 11.706 ( -3.447 -3.977 7.948) 9.532 13.280 ( -0.378 1.956 2.025) 2.841 13.333 ( -0.616 7.448 0.669) 7.504 13.419 ( -0.300 1.550 -0.343) 1.616 13.590 ( 1.284 3.792 1.689) 4.346 14.747 ( 0.503 -0.430 -0.420) 0.784 14.754 ( 0.215 -0.165 0.436) 0.513 15.194 ( 1.768 -4.155 -18.740) 19.276 15.455 ( 0.267 -7.976 12.846) 15.122 ======================= Grid point 202 (94/160) ======================= q-point: ( 0.30 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -7.414 2.527 3.476) 8.570 0.997 ( -1.061 -2.834 -1.745) 3.494 1.091 ( -1.078 2.460 -4.616) 5.341 1.236 ( -1.807 7.325 3.226) 8.205 1.448 ( 1.406 -7.514 4.480) 8.861 1.585 ( -0.967 -3.404 -2.676) 4.437 1.644 ( 0.730 0.261 7.030) 7.073 1.682 ( -4.358 0.580 -2.082) 4.864 1.765 ( -1.240 0.262 -1.047) 1.644 1.814 ( 2.307 -3.890 -1.209) 4.682 2.098 ( 1.189 -7.073 6.428) 9.631 2.163 ( -0.394 -6.569 -3.546) 7.475 2.240 ( -5.267 3.634 -3.141) 7.129 2.366 ( -3.077 5.098 3.184) 6.753 2.523 ( 0.324 -0.033 -9.974) 9.979 2.585 ( 1.572 2.413 -1.524) 3.258 2.737 ( 6.817 -2.136 -2.102) 7.447 2.852 ( 2.836 6.807 -1.192) 7.470 2.955 ( 12.793 1.760 0.267) 12.916 3.037 ( -1.560 4.355 2.148) 5.101 3.283 ( 4.305 -3.893 -8.619) 10.391 3.486 ( 1.881 0.334 -4.655) 5.032 3.695 ( -1.864 1.678 -1.624) 2.988 3.787 ( 1.460 2.501 2.410) 3.767 3.905 ( 4.132 -3.703 -1.282) 5.694 4.120 ( 3.446 -2.809 -0.594) 4.486 4.183 ( 1.190 3.873 -1.414) 4.292 4.411 ( 0.360 1.733 -7.581) 7.784 4.456 ( 8.226 6.180 0.310) 10.293 4.572 ( 1.653 -0.362 -7.569) 7.756 4.756 ( -6.605 -1.399 4.560) 8.147 4.868 ( -6.145 -10.589 -1.142) 12.296 5.073 ( -7.426 -0.452 -1.965) 7.695 5.132 ( 2.481 0.249 2.142) 3.287 5.167 ( -0.532 3.277 -1.880) 3.815 5.420 ( -3.886 -6.807 11.702) 14.085 6.303 ( -0.908 0.647 -4.682) 4.813 6.455 ( -4.977 1.463 4.841) 7.096 6.720 ( -3.129 0.714 -2.572) 4.113 6.865 ( -0.987 0.338 0.336) 1.096 6.982 ( 5.803 -2.247 -4.776) 7.845 7.082 ( 1.220 -9.632 -2.583) 10.047 7.363 ( -3.196 -2.892 2.474) 4.970 7.472 ( 4.697 -0.791 9.798) 10.895 7.546 ( 0.964 10.405 -5.901) 12.001 7.851 ( -2.332 2.446 7.756) 8.460 7.937 ( 1.254 0.629 0.757) 1.594 8.031 ( 2.669 4.174 2.744) 5.663 11.371 ( 1.868 1.645 -0.122) 2.492 11.442 ( 0.405 4.172 -1.043) 4.320 11.546 ( 2.461 0.683 0.605) 2.625 11.719 ( -5.062 -1.465 6.519) 8.382 13.299 ( -0.140 4.856 0.913) 4.943 13.334 ( -2.364 7.312 4.186) 8.751 13.412 ( 0.306 3.855 0.521) 3.902 13.637 ( -1.227 2.151 6.799) 7.236 14.748 ( 0.441 -0.381 -0.935) 1.101 14.760 ( -0.066 -0.516 0.275) 0.588 15.062 ( 8.341 -8.536 -18.484) 22.002 15.518 ( -3.890 -13.327 3.388) 14.291 ======================= Grid point 203 (95/160) ======================= q-point: ( 0.40 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -6.858 1.960 13.301) 15.093 1.021 ( 1.042 -5.123 5.793) 7.803 1.098 ( 6.130 2.747 -1.936) 6.991 1.243 ( -0.328 4.751 1.020) 4.870 1.453 ( -4.934 -5.914 0.380) 7.711 1.537 ( -2.378 -0.875 -1.163) 2.788 1.576 ( -3.961 0.508 -2.043) 4.485 1.673 ( -3.232 -4.710 2.117) 6.092 1.758 ( 3.105 2.021 -1.823) 4.129 1.841 ( 2.105 -2.158 -2.981) 4.240 2.056 ( -7.687 0.479 -2.542) 8.110 2.117 ( -1.317 -5.460 -0.627) 5.652 2.271 ( 5.205 -0.068 4.729) 7.033 2.356 ( -2.213 2.311 2.183) 3.874 2.424 ( 1.876 1.357 -10.948) 11.190 2.601 ( 2.075 2.979 -1.346) 3.872 2.774 ( 0.099 0.862 -4.273) 4.361 2.832 ( -1.412 5.689 -5.705) 8.180 3.034 ( 5.574 -3.706 -2.447) 7.126 3.166 ( 9.819 3.645 -1.729) 10.615 3.297 ( 9.765 -3.716 -5.548) 11.829 3.429 ( 2.557 0.069 -8.617) 8.989 3.634 ( -5.899 0.440 0.729) 5.960 3.766 ( -3.965 2.367 -2.240) 5.133 3.983 ( 4.194 -7.642 1.183) 8.798 4.138 ( 1.988 -4.421 -3.751) 6.129 4.205 ( 0.391 -1.706 2.694) 3.213 4.373 ( 2.533 -0.124 -4.506) 5.170 4.506 ( -0.157 -4.333 -3.881) 5.819 4.571 ( 2.894 0.178 -2.074) 3.565 4.662 ( -5.240 1.512 2.851) 6.154 4.803 ( -3.673 -6.067 0.479) 7.108 4.940 ( -3.549 0.866 -1.812) 4.078 5.106 ( -1.458 4.603 -2.876) 5.620 5.236 ( 1.888 1.513 5.058) 5.607 5.437 ( -4.929 -3.311 4.904) 7.701 6.277 ( 1.639 -2.314 -1.208) 3.082 6.408 ( -4.754 -0.596 1.531) 5.030 6.685 ( -0.529 -0.317 0.844) 1.046 6.850 ( -0.979 -1.546 0.388) 1.871 7.012 ( 4.536 -2.107 -5.261) 7.259 7.076 ( 1.333 -4.230 -2.027) 4.876 7.360 ( 0.284 2.502 0.996) 2.708 7.423 ( -3.286 9.356 -4.359) 10.832 7.736 ( 8.010 -0.985 9.790) 12.688 7.889 ( -5.659 1.986 9.828) 11.513 7.971 ( 2.122 2.756 1.160) 3.666 8.082 ( 0.263 5.024 2.058) 5.435 11.393 ( 1.685 1.746 -1.188) 2.701 11.418 ( -1.005 1.319 -1.349) 2.137 11.617 ( 2.925 5.062 2.709) 6.443 11.696 ( -5.197 2.931 4.227) 7.312 13.293 ( -0.252 6.696 -0.351) 6.710 13.314 ( -3.986 6.814 1.793) 8.096 13.501 ( 4.073 2.387 8.409) 9.644 13.692 ( -3.731 0.510 9.680) 10.387 14.741 ( 0.594 -0.274 -1.538) 1.671 14.758 ( -0.317 -0.613 -0.066) 0.693 15.057 ( 13.453 -11.782 -14.081) 22.761 15.409 ( -8.264 -15.315 -5.513) 18.255 ======================= Grid point 204 (96/160) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.197 1.905 16.648) 16.758 1.142 ( 3.208 -2.905 7.823) 8.940 1.208 ( 7.179 2.116 -0.113) 7.485 1.223 ( -2.845 -0.816 0.296) 2.975 1.368 ( -3.320 -0.201 0.265) 3.336 1.482 ( -4.994 -1.976 -0.793) 5.429 1.509 ( -0.810 -0.335 -0.838) 1.213 1.652 ( -0.024 -8.273 0.044) 8.273 1.738 ( -1.887 -0.471 -7.099) 7.361 1.820 ( 3.138 0.697 -4.917) 5.874 1.948 ( -2.660 2.182 -0.049) 3.441 2.094 ( 0.372 -1.268 -3.305) 3.559 2.296 ( 2.333 0.283 -9.715) 9.995 2.352 ( -0.851 -3.751 -0.334) 3.860 2.415 ( 2.435 0.600 3.819) 4.569 2.584 ( 0.048 1.440 -8.036) 8.165 2.665 ( -2.086 5.972 -0.290) 6.332 2.793 ( 0.935 5.898 -3.459) 6.901 3.079 ( -1.242 -1.436 -1.093) 2.190 3.178 ( 2.113 -1.502 -7.253) 7.702 3.382 ( -6.929 -2.594 -0.215) 7.402 3.454 ( 8.692 0.358 -1.956) 8.916 3.550 ( -1.423 0.961 1.151) 2.067 3.649 ( -2.569 2.825 -3.842) 5.417 4.055 ( 1.994 -7.688 1.043) 8.011 4.117 ( 0.205 -4.435 -2.823) 5.261 4.219 ( -3.654 -7.542 2.974) 8.893 4.355 ( 1.570 -3.033 -4.258) 5.458 4.465 ( -0.675 -7.808 0.077) 7.837 4.534 ( -0.811 -3.308 -1.783) 3.845 4.690 ( 3.086 1.087 1.159) 3.472 4.756 ( -0.822 1.768 -1.522) 2.474 4.937 ( -1.703 2.349 2.865) 4.077 5.070 ( 3.224 3.026 -3.256) 5.491 5.302 ( 1.046 1.512 2.924) 3.454 5.400 ( -3.111 0.369 0.965) 3.278 6.299 ( -1.118 -3.893 1.158) 4.213 6.369 ( 1.497 -1.894 -1.200) 2.696 6.702 ( -1.118 -1.922 3.876) 4.468 6.851 ( 0.685 -3.193 0.136) 3.269 7.011 ( 0.926 -0.323 -2.579) 2.759 7.059 ( 0.972 0.157 -4.719) 4.821 7.331 ( -3.040 6.612 -0.686) 7.310 7.399 ( 4.045 6.992 -2.407) 8.429 7.861 ( -8.429 0.047 9.376) 12.608 7.962 ( 5.645 -1.038 6.979) 9.036 8.026 ( 2.311 4.823 1.533) 5.564 8.087 ( -1.225 5.035 0.901) 5.260 11.384 ( -1.355 -0.074 -0.562) 1.469 11.403 ( 0.936 0.376 -1.302) 1.647 11.658 ( -4.270 6.954 2.876) 8.652 11.688 ( 2.996 7.794 1.949) 8.575 13.274 ( -2.652 5.602 1.006) 6.279 13.298 ( 1.363 6.301 0.080) 6.447 13.675 ( 1.844 -0.767 10.676) 10.861 13.733 ( -1.765 1.668 8.068) 8.426 14.740 ( 0.874 -0.549 -0.705) 1.250 14.749 ( -0.448 -0.622 -0.328) 0.833 15.144 ( -4.349 -14.677 -9.818) 18.185 15.160 ( 5.830 -13.157 -9.583) 17.290 ======================= Grid point 205 (97/160) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -13.745 -0.869 -2.010) 13.918 1.178 ( -9.553 -0.631 0.938) 9.620 1.236 ( 2.958 -0.319 3.774) 4.806 1.326 ( 4.136 2.704 4.826) 6.907 1.393 ( 4.729 -0.838 1.780) 5.122 1.464 ( 4.779 -1.121 0.962) 5.002 1.543 ( 1.256 -2.539 5.577) 6.255 1.624 ( -0.629 -1.288 -3.871) 4.127 1.694 ( 4.209 -6.704 -1.196) 8.006 1.832 ( 5.501 1.161 -5.169) 7.637 1.931 ( -2.510 1.072 1.966) 3.363 2.052 ( 3.594 3.166 -7.347) 8.771 2.273 ( 1.680 -0.884 -1.406) 2.362 2.328 ( 2.111 -4.987 -2.718) 6.058 2.465 ( -0.020 0.518 0.919) 1.055 2.517 ( 0.403 -0.056 -3.693) 3.715 2.673 ( -0.842 4.353 2.640) 5.160 2.749 ( -1.313 5.274 -4.347) 6.960 2.968 ( -8.675 -3.946 -0.755) 9.560 3.142 ( -0.165 1.983 -2.650) 3.314 3.183 ( -15.460 -0.182 1.452) 15.529 3.375 ( -7.656 3.090 -2.416) 8.602 3.645 ( 4.728 -0.701 2.443) 5.368 3.707 ( 8.342 2.270 -1.549) 8.783 4.021 ( -4.589 -6.093 -1.851) 7.849 4.072 ( -4.323 -8.365 1.103) 9.480 4.212 ( 0.236 -0.040 2.223) 2.236 4.316 ( -1.784 -1.715 -2.084) 3.236 4.506 ( 2.738 -6.388 -2.207) 7.291 4.518 ( -1.964 3.024 2.199) 4.224 4.730 ( 1.077 3.785 -0.819) 4.019 4.801 ( 8.793 -2.851 -0.401) 9.252 4.900 ( -2.190 0.337 0.814) 2.361 5.137 ( 6.538 -5.206 -2.549) 8.738 5.345 ( 0.375 1.255 2.673) 2.977 5.370 ( -0.788 1.266 0.057) 1.492 6.256 ( -3.700 -3.011 0.263) 4.778 6.430 ( 5.972 -3.634 -1.192) 7.091 6.728 ( -1.600 -3.444 4.533) 5.913 6.860 ( 0.548 -2.655 -1.128) 2.936 6.963 ( -1.554 0.317 -3.836) 4.151 7.042 ( 1.511 4.346 -1.784) 4.935 7.303 ( -0.967 2.569 0.988) 2.918 7.434 ( 4.399 7.289 -3.402) 9.168 7.804 ( -9.702 -0.595 7.183) 12.086 8.032 ( -2.542 3.162 -0.424) 4.079 8.064 ( -0.349 7.175 3.107) 7.827 8.127 ( 5.511 -1.702 0.242) 5.773 11.357 ( -1.753 0.044 0.297) 1.779 11.405 ( 0.738 -0.485 -0.706) 1.130 11.627 ( -3.423 8.437 2.313) 9.394 11.768 ( 5.230 6.608 1.280) 8.524 13.258 ( -0.710 4.639 0.956) 4.789 13.339 ( 3.167 8.322 0.748) 8.936 13.700 ( -4.676 0.426 3.693) 5.974 13.889 ( 5.825 -0.998 8.192) 10.102 14.721 ( -3.796 -2.148 -4.204) 6.058 14.751 ( 0.474 -0.717 0.069) 0.862 14.799 ( -14.917 -11.212 -6.258) 19.683 15.298 ( 12.584 -13.436 -4.270) 18.898 ======================= Grid point 206 (98/160) ======================= q-point: (-0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -14.306 2.433 5.015) 15.353 0.971 ( -13.651 2.544 0.155) 13.887 1.328 ( 8.075 -1.373 -4.068) 9.146 1.407 ( 2.357 -1.853 0.655) 3.069 1.452 ( -0.092 -3.890 -1.325) 4.111 1.528 ( 2.939 -0.974 1.042) 3.267 1.607 ( 0.644 2.286 2.036) 3.129 1.681 ( 5.332 0.199 3.048) 6.145 1.730 ( -1.493 -5.682 0.632) 5.909 1.857 ( 1.918 2.412 -4.600) 5.537 1.909 ( -2.649 0.684 5.178) 5.856 2.087 ( 5.463 3.165 -0.931) 6.382 2.272 ( 0.569 2.013 -1.335) 2.482 2.353 ( 0.286 -5.283 -2.610) 5.899 2.471 ( 0.039 0.770 3.017) 3.114 2.509 ( 3.748 -2.035 -1.274) 4.451 2.680 ( -1.831 2.377 -0.455) 3.035 2.687 ( -1.087 1.012 3.571) 3.868 2.883 ( -2.269 -3.233 3.106) 5.024 2.973 ( -11.312 0.053 0.038) 11.312 3.116 ( -2.804 4.161 1.704) 5.299 3.257 ( -3.872 5.864 -2.141) 7.346 3.712 ( -0.197 -1.592 2.982) 3.387 3.770 ( 2.668 2.679 -2.799) 4.704 3.947 ( -2.774 -3.874 0.245) 4.771 4.020 ( -4.560 -4.816 1.610) 6.825 4.227 ( -2.645 2.317 2.991) 4.616 4.281 ( 0.104 2.536 -2.599) 3.633 4.413 ( -8.165 5.543 -0.475) 9.880 4.505 ( -2.774 1.664 -1.625) 3.620 4.774 ( 4.592 -0.069 0.979) 4.696 4.866 ( 1.346 1.356 0.081) 1.912 5.015 ( 10.084 -1.352 1.231) 10.248 5.191 ( 6.228 -10.741 -4.508) 13.210 5.319 ( -1.092 0.477 -3.448) 3.648 5.446 ( 3.488 -5.388 7.687) 10.015 6.209 ( -2.575 -1.938 0.641) 3.286 6.504 ( 4.770 -3.570 -1.025) 6.046 6.739 ( -1.775 -3.655 1.612) 4.372 6.830 ( -2.952 2.010 -0.023) 3.571 6.933 ( 4.148 -2.869 -5.060) 7.144 7.041 ( -1.154 4.087 0.953) 4.353 7.322 ( 1.273 0.506 2.149) 2.549 7.468 ( 3.977 4.964 -2.182) 6.725 7.721 ( -7.652 -1.148 2.437) 8.112 7.970 ( -3.576 2.150 -1.626) 4.478 8.060 ( -2.845 7.319 0.866) 7.900 8.186 ( 3.876 -2.712 -3.384) 5.816 11.338 ( -1.538 0.980 0.923) 2.044 11.410 ( 0.409 -0.069 0.036) 0.416 11.595 ( -3.270 7.353 1.146) 8.128 11.881 ( 8.277 1.086 -0.423) 8.359 13.268 ( 0.322 4.767 1.073) 4.897 13.406 ( 3.622 10.757 0.923) 11.388 13.639 ( -2.777 3.487 -3.968) 5.968 14.055 ( 8.275 -3.791 -1.156) 9.175 14.376 ( -23.031 -8.717 1.420) 24.666 14.729 ( -1.339 -1.122 0.491) 1.815 14.762 ( 0.328 -0.373 0.076) 0.503 15.450 ( 9.303 -13.263 0.575) 16.211 ======================= Grid point 207 (99/160) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -8.175 7.478 11.158) 15.725 0.819 ( -10.267 8.771 8.698) 16.063 1.347 ( 3.103 -1.444 -8.610) 9.265 1.426 ( -2.148 -0.912 2.403) 3.350 1.466 ( -4.718 0.990 0.901) 4.904 1.498 ( -2.917 -2.336 2.357) 4.418 1.562 ( -4.869 1.695 -4.468) 6.822 1.706 ( 1.179 -5.392 3.239) 6.400 1.802 ( 4.296 -2.002 1.057) 4.856 1.834 ( 3.020 0.488 -2.161) 3.745 1.958 ( 1.207 0.589 3.055) 3.337 2.170 ( 3.418 1.436 4.204) 5.605 2.226 ( -4.216 2.112 -1.345) 4.903 2.355 ( 4.748 -1.981 -1.145) 5.270 2.524 ( 4.694 2.932 0.430) 5.551 2.549 ( 1.076 0.488 -2.603) 2.859 2.648 ( -3.808 -4.620 0.625) 6.020 2.765 ( 0.261 0.598 7.679) 7.707 2.840 ( -0.532 0.752 -2.989) 3.128 3.010 ( 4.219 -1.326 14.167) 14.841 3.076 ( -6.490 6.871 3.154) 9.963 3.204 ( 0.396 4.740 -1.578) 5.012 3.718 ( -1.757 -1.534 0.599) 2.409 3.761 ( 0.850 2.922 -1.425) 3.361 3.903 ( -4.579 1.199 -2.546) 5.374 3.965 ( -3.129 -2.460 3.044) 5.011 4.210 ( -4.596 3.259 4.477) 7.197 4.220 ( -3.341 5.911 -2.826) 7.355 4.297 ( -6.807 5.732 1.712) 9.061 4.453 ( -0.834 1.380 -0.597) 1.719 4.849 ( 1.530 -2.889 1.531) 3.610 4.900 ( 3.343 -0.332 0.508) 3.398 5.091 ( -1.010 0.252 0.537) 1.172 5.235 ( -2.163 0.483 -2.473) 3.321 5.278 ( 8.273 -4.176 -6.982) 11.603 5.638 ( 9.906 -12.645 5.051) 16.838 6.198 ( -0.848 0.548 2.635) 2.822 6.559 ( 1.882 -0.888 1.608) 2.630 6.723 ( 0.549 -1.268 0.432) 1.448 6.790 ( -2.062 1.416 -0.111) 2.504 6.942 ( -0.773 -1.101 -0.276) 1.373 7.052 ( 3.801 -3.516 -1.498) 5.390 7.388 ( 2.887 0.672 3.377) 4.494 7.507 ( 3.071 2.715 -1.742) 4.454 7.613 ( -4.561 -0.866 -4.082) 6.181 7.886 ( -4.530 -0.564 -1.991) 4.981 7.994 ( -5.513 5.678 -0.673) 7.942 8.178 ( 2.450 -2.583 -6.744) 7.626 11.327 ( -1.247 1.697 0.925) 2.300 11.419 ( 0.239 1.129 0.592) 1.297 11.539 ( -3.760 4.189 -1.538) 5.835 11.998 ( 9.230 -5.716 -4.677) 11.821 13.283 ( -0.170 4.670 1.060) 4.791 13.442 ( -0.849 4.781 -1.609) 5.116 13.548 ( 1.841 12.050 -7.799) 14.471 13.886 ( -11.553 -5.622 -14.891) 19.668 14.356 ( -2.264 -2.681 22.844) 23.112 14.718 ( -0.772 -0.391 0.586) 1.045 14.765 ( 0.063 -0.098 -0.041) 0.123 15.603 ( 7.095 -11.694 3.291) 14.069 ======================= Grid point 208 (100/160) ======================= q-point: (-0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.726 13.680 13.560) 19.339 0.783 ( -10.030 12.730 8.272) 18.195 1.278 ( -2.714 2.411 2.462) 4.387 1.373 ( -6.950 5.664 3.733) 9.712 1.415 ( 1.263 -2.550 -3.815) 4.760 1.459 ( -0.067 -0.672 -2.218) 2.318 1.511 ( -3.771 -0.721 1.994) 4.326 1.728 ( 0.261 -11.584 -1.420) 11.673 1.816 ( 2.698 -0.719 -2.711) 3.892 1.907 ( 0.653 -1.348 -1.180) 1.907 2.025 ( 4.129 -2.126 3.725) 5.954 2.193 ( 1.708 -2.498 0.573) 3.080 2.311 ( 5.226 5.272 7.150) 10.307 2.391 ( -0.323 -1.729 -4.146) 4.504 2.478 ( -1.966 9.169 1.272) 9.463 2.617 ( 1.212 -5.998 -2.173) 6.494 2.638 ( 4.208 -1.612 2.636) 5.220 2.815 ( -1.940 3.941 -4.814) 6.517 2.820 ( -0.232 3.060 2.958) 4.262 3.018 ( -3.040 8.664 5.395) 10.650 3.122 ( 1.405 0.950 -2.197) 2.776 3.354 ( 2.352 -4.976 20.885) 21.598 3.652 ( -3.385 -1.354 -5.953) 6.981 3.792 ( 0.051 2.617 3.206) 4.139 3.796 ( -0.348 3.297 -1.547) 3.658 3.989 ( -1.368 1.268 4.160) 4.559 4.105 ( -6.333 6.858 -1.274) 9.421 4.187 ( -3.093 3.484 1.317) 4.841 4.272 ( -1.247 3.848 5.721) 7.007 4.489 ( 2.428 0.620 5.107) 5.689 4.865 ( -1.118 -2.406 2.179) 3.433 4.966 ( 4.120 -1.554 -0.405) 4.422 5.047 ( -3.908 -2.170 -0.612) 4.512 5.141 ( -4.198 -2.190 -3.179) 5.703 5.323 ( 4.110 2.075 -4.237) 6.257 5.749 ( 5.979 -6.959 -10.470) 13.921 6.244 ( 0.664 3.057 5.379) 6.222 6.577 ( -0.367 1.563 0.082) 1.607 6.753 ( -1.710 0.208 -1.444) 2.248 6.833 ( 3.959 -2.429 5.764) 7.403 6.915 ( -1.627 0.681 2.974) 3.458 7.100 ( 5.062 -6.827 -3.802) 9.311 7.407 ( -3.700 -0.290 -3.654) 5.208 7.516 ( 4.957 1.072 0.584) 5.105 7.578 ( 3.711 1.020 -2.393) 4.532 7.795 ( -4.550 -2.063 -0.210) 5.000 7.874 ( -8.306 2.374 -1.096) 8.707 8.121 ( 1.678 -2.310 -9.201) 9.633 11.317 ( -1.049 1.567 0.689) 2.008 11.408 ( -2.200 2.130 -1.402) 3.368 11.488 ( -0.088 0.095 1.647) 1.652 12.036 ( 5.248 -10.087 -10.465) 15.453 13.283 ( -1.271 3.632 1.057) 3.990 13.355 ( -2.911 1.489 -3.476) 4.772 13.540 ( 3.444 12.029 -4.859) 13.423 13.592 ( -9.929 -2.886 -4.802) 11.401 14.617 ( 2.751 0.937 21.399) 21.596 14.722 ( 0.187 -0.118 1.936) 1.948 14.763 ( -0.055 0.115 -0.180) 0.220 15.702 ( 3.360 -7.355 -3.343) 8.750 ======================= Grid point 209 (101/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -5.694 3.456 4.888) 8.262 1.040 ( 0.274 3.776 8.586) 9.384 1.215 ( -0.668 2.654 -8.960) 9.369 1.315 ( -0.111 -1.161 -6.053) 6.164 1.397 ( -1.170 -5.015 3.681) 6.330 1.479 ( -0.538 0.779 0.980) 1.362 1.540 ( 1.799 -4.964 -2.402) 5.801 1.627 ( 3.837 0.376 3.202) 5.011 1.737 ( 0.824 -2.460 -3.338) 4.228 1.855 ( -1.755 -1.652 -1.062) 2.634 2.022 ( -0.772 -4.758 0.942) 4.911 2.124 ( 0.801 -1.599 -2.721) 3.256 2.363 ( 2.912 -1.150 3.170) 4.455 2.554 ( -0.710 -0.601 -4.223) 4.324 2.606 ( -1.710 9.977 8.096) 12.962 2.692 ( 0.024 6.468 5.705) 8.625 2.720 ( 4.608 9.863 3.290) 11.372 2.840 ( -5.226 7.758 -1.959) 9.557 2.976 ( -0.159 5.351 3.164) 6.218 3.082 ( 0.559 -1.012 -2.218) 2.501 3.175 ( -1.717 3.178 3.293) 4.889 3.419 ( -0.627 0.395 -2.122) 2.247 3.600 ( -0.484 0.254 10.759) 10.773 3.886 ( 5.786 0.687 -1.310) 5.972 3.937 ( 3.689 6.835 2.143) 8.057 4.004 ( -7.847 5.553 0.111) 9.614 4.196 ( 0.426 6.456 4.171) 7.698 4.268 ( -0.500 6.891 -0.237) 6.913 4.436 ( -0.118 3.665 10.280) 10.914 4.641 ( 4.840 2.144 3.726) 6.474 4.815 ( -0.442 -4.050 2.021) 4.548 4.875 ( -5.619 -5.352 2.240) 8.077 4.957 ( 0.593 -2.324 -4.558) 5.151 5.070 ( 1.612 0.346 -3.910) 4.243 5.311 ( -0.034 -3.715 -1.509) 4.010 5.548 ( 0.360 -9.173 -10.581) 14.008 6.388 ( -0.567 3.467 5.180) 6.259 6.595 ( 2.217 -1.385 -1.120) 2.844 6.703 ( -1.679 -1.127 0.210) 2.033 6.750 ( 0.266 -2.335 -0.438) 2.390 6.968 ( -0.227 -1.739 0.497) 1.823 7.165 ( 1.034 9.973 -7.366) 12.442 7.312 ( 0.009 -4.296 7.011) 8.222 7.524 ( -0.354 -3.690 -1.415) 3.968 7.616 ( 0.608 -5.239 0.329) 5.285 7.725 ( -2.703 1.600 -4.662) 5.621 7.776 ( 1.308 1.112 2.480) 3.016 7.979 ( 0.594 -3.389 -8.636) 9.297 11.340 ( -1.118 1.695 0.303) 2.053 11.380 ( -1.391 0.862 -0.990) 1.913 11.520 ( 0.363 -0.379 2.901) 2.948 11.752 ( 0.154 -8.024 -9.109) 12.141 13.299 ( -1.868 0.220 1.040) 2.149 13.345 ( 1.096 0.635 -1.435) 1.914 13.454 ( -0.634 -0.882 0.375) 1.149 13.612 ( 0.832 1.568 -9.426) 9.592 14.734 ( -0.030 0.381 0.907) 0.985 14.761 ( 0.056 -0.043 -0.395) 0.401 15.018 ( 1.958 7.230 21.239) 22.521 15.578 ( -0.475 -2.415 -7.347) 7.748 ======================= Grid point 210 (102/160) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.312 2.106 8.567) 8.827 1.086 ( -1.074 -7.161 0.462) 7.256 1.193 ( 1.329 4.207 0.732) 4.472 1.241 ( 1.690 2.193 -4.763) 5.509 1.404 ( -1.244 -3.559 1.511) 4.062 1.496 ( 0.043 -0.180 2.632) 2.639 1.552 ( -4.571 -0.560 -5.943) 7.518 1.585 ( 3.037 -5.846 1.161) 6.689 1.760 ( -1.740 -1.950 -4.003) 4.780 1.829 ( 2.247 -1.719 1.083) 3.029 2.007 ( -2.290 -2.214 1.006) 3.341 2.107 ( 0.356 -4.882 -2.240) 5.383 2.416 ( -4.595 -1.206 -5.205) 7.047 2.458 ( 0.984 0.722 4.690) 4.846 2.646 ( -5.296 14.924 2.662) 16.058 2.713 ( -2.972 5.444 2.205) 6.583 2.765 ( 1.199 5.040 -1.863) 5.505 2.847 ( 5.297 9.736 4.471) 11.951 3.013 ( 0.302 4.168 2.885) 5.078 3.040 ( -2.437 2.086 -1.649) 3.607 3.244 ( 2.712 1.544 7.509) 8.132 3.360 ( 2.006 0.009 -7.515) 7.778 3.702 ( -1.656 -0.409 7.359) 7.554 3.834 ( -5.307 5.177 -2.863) 7.947 3.958 ( 2.370 0.576 -3.289) 4.095 4.052 ( 3.884 5.234 5.152) 8.308 4.258 ( 1.788 7.516 -0.431) 7.737 4.304 ( 6.311 7.257 0.858) 9.656 4.567 ( -0.620 0.987 12.282) 12.337 4.658 ( -1.339 -0.132 -4.311) 4.516 4.771 ( -5.983 -4.236 2.490) 7.742 4.850 ( -3.239 -3.052 -2.454) 5.083 4.955 ( 4.227 -1.928 3.495) 5.814 5.103 ( 6.504 -2.502 -3.516) 7.805 5.271 ( -6.001 -4.488 1.347) 7.613 5.384 ( -4.124 -4.868 -9.654) 11.572 6.429 ( -2.241 1.166 6.328) 6.814 6.573 ( -0.711 -1.890 -6.270) 6.587 6.725 ( 2.159 -1.686 2.878) 3.973 6.789 ( 5.417 -1.668 -1.022) 5.759 6.969 ( -2.527 3.350 3.138) 5.240 7.048 ( -2.159 4.323 -6.352) 7.981 7.303 ( -7.186 -3.920 3.568) 8.929 7.449 ( -10.722 -4.239 -1.840) 11.676 7.641 ( 10.485 -0.715 0.366) 10.515 7.807 ( 5.250 0.601 1.562) 5.510 7.841 ( 4.868 2.222 -0.396) 5.366 7.902 ( 2.017 -3.086 -6.396) 7.382 11.336 ( -0.199 1.031 1.123) 1.538 11.396 ( 3.426 0.918 0.723) 3.619 11.549 ( -1.519 -2.590 3.101) 4.316 11.666 ( 0.789 -2.959 -6.511) 7.195 13.297 ( 0.025 0.884 0.821) 1.207 13.387 ( 4.743 0.559 -0.262) 4.783 13.448 ( -0.939 1.471 -0.671) 1.869 13.588 ( 5.777 -0.159 -3.293) 6.652 14.739 ( -0.439 0.043 0.728) 0.852 14.756 ( -0.001 0.063 -0.466) 0.471 15.212 ( -4.630 0.899 16.416) 17.080 15.406 ( -6.236 -0.079 -11.712) 13.268 ======================= Grid point 211 (103/160) ======================= q-point: ( 0.20 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -5.802 -2.984 1.198) 6.633 1.096 ( -1.348 -2.189 -2.576) 3.640 1.176 ( 1.635 -3.503 5.572) 6.782 1.322 ( -0.079 4.327 2.576) 5.037 1.348 ( -2.291 8.255 -5.892) 10.397 1.438 ( 1.951 -9.007 0.188) 9.218 1.557 ( -0.714 -0.649 6.815) 6.883 1.668 ( 4.150 -3.449 1.422) 5.580 1.706 ( 2.496 -1.573 -5.102) 5.893 1.828 ( -2.647 -2.805 0.085) 3.858 1.977 ( -5.721 -3.206 0.517) 6.579 2.047 ( 0.316 -6.216 -2.424) 6.680 2.359 ( 0.026 1.144 -0.759) 1.373 2.491 ( -2.732 2.865 2.865) 4.887 2.576 ( -3.283 7.723 -1.481) 8.521 2.671 ( -2.291 4.446 0.047) 5.002 2.764 ( 1.586 5.046 -4.132) 6.712 2.944 ( 2.145 7.139 1.023) 7.524 2.969 ( -1.398 5.197 -0.362) 5.394 3.077 ( 1.079 2.334 3.496) 4.340 3.300 ( 1.737 0.535 -8.147) 8.347 3.402 ( 4.809 0.880 6.118) 7.831 3.743 ( 0.438 0.263 3.184) 3.225 3.765 ( 0.110 2.236 -1.904) 2.939 3.914 ( -0.923 -0.356 -5.534) 5.622 4.111 ( -1.274 1.077 0.608) 1.775 4.283 ( 2.070 7.259 -1.425) 7.682 4.432 ( 7.440 5.850 0.408) 9.473 4.536 ( -2.343 -0.219 -5.775) 6.236 4.645 ( -0.608 -0.174 -4.018) 4.067 4.730 ( -4.414 -1.988 6.823) 8.366 4.766 ( -5.634 -9.280 -0.178) 10.857 5.063 ( 2.045 -3.191 3.672) 5.278 5.104 ( -1.375 -3.440 -3.236) 4.919 5.235 ( -0.056 -1.209 4.685) 4.839 5.261 ( -2.610 -1.152 -2.237) 3.625 6.436 ( -3.718 0.618 -1.557) 4.077 6.472 ( -3.677 -1.736 0.028) 4.066 6.789 ( 0.644 -2.122 1.368) 2.605 6.868 ( 6.318 -2.545 -2.062) 7.116 6.932 ( -2.102 1.388 -2.300) 3.411 6.964 ( -4.655 1.904 -0.299) 5.038 7.279 ( -0.475 -2.509 4.880) 5.508 7.344 ( -1.151 -1.680 1.978) 2.839 7.742 ( 4.220 4.072 -4.965) 7.684 7.838 ( 0.604 0.547 1.413) 1.631 7.894 ( 3.621 0.425 0.912) 3.758 7.992 ( 7.278 1.595 2.229) 7.777 11.370 ( 2.013 2.157 1.957) 3.541 11.479 ( 5.036 3.168 1.278) 6.085 11.534 ( -0.861 -1.996 -1.260) 2.513 11.654 ( 0.520 -1.132 2.273) 2.592 13.318 ( 0.428 1.767 2.559) 3.139 13.427 ( -0.191 1.209 1.216) 1.725 13.474 ( 4.953 4.411 -1.037) 6.713 13.672 ( 5.386 2.900 0.585) 6.145 14.737 ( -0.276 -0.590 -0.115) 0.662 14.751 ( -0.270 -0.115 0.035) 0.296 15.107 ( -7.518 -3.930 -13.792) 16.192 15.286 ( -8.126 -8.151 8.172) 14.115 ======================= Grid point 212 (104/160) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -7.928 -3.115 5.280) 10.022 1.006 ( -5.099 1.523 -1.180) 5.451 1.171 ( -0.962 5.424 -5.243) 7.605 1.295 ( -1.363 -5.981 4.721) 7.741 1.390 ( -0.053 6.769 2.436) 7.194 1.485 ( 3.382 -6.206 -1.781) 7.289 1.621 ( -1.935 -1.744 6.717) 7.205 1.693 ( -3.118 -0.527 0.017) 3.162 1.731 ( 4.705 -2.400 -2.871) 6.012 1.767 ( 0.532 -0.906 -2.329) 2.555 1.964 ( -1.122 -7.134 5.204) 8.901 2.051 ( 2.116 -4.389 -0.837) 4.944 2.318 ( -3.312 3.745 -1.877) 5.340 2.450 ( -4.822 3.861 1.851) 6.449 2.517 ( 0.969 1.093 -5.271) 5.470 2.663 ( 2.005 6.106 -2.612) 6.937 2.735 ( 2.995 1.072 -4.616) 5.606 2.952 ( -0.317 2.805 -0.947) 2.978 3.021 ( 6.547 4.618 0.720) 8.044 3.101 ( -3.755 1.308 1.257) 4.170 3.238 ( 4.375 0.371 -8.294) 9.384 3.476 ( 1.956 -1.286 -3.577) 4.275 3.707 ( -2.275 -0.891 -2.269) 3.334 3.817 ( 1.043 -1.088 -2.875) 3.246 3.871 ( -0.230 0.574 4.478) 4.520 4.052 ( -2.331 -3.559 -3.770) 5.685 4.261 ( -2.000 2.156 -2.878) 4.115 4.440 ( -0.625 1.124 -3.656) 3.876 4.488 ( -1.416 -4.044 -4.730) 6.382 4.570 ( -2.556 -4.169 -7.239) 8.736 4.682 ( -0.896 -0.843 3.205) 3.433 4.739 ( -2.741 -1.317 4.303) 5.269 5.024 ( -4.303 -3.313 -0.996) 5.521 5.157 ( 3.325 1.742 1.578) 4.072 5.208 ( 0.989 1.283 -0.199) 1.632 5.335 ( 0.598 -1.220 6.739) 6.875 6.316 ( -3.072 0.316 -5.767) 6.542 6.433 ( -6.051 -3.784 3.020) 7.749 6.738 ( -2.712 0.987 -3.843) 4.806 6.851 ( -2.296 -2.206 -3.497) 4.730 6.944 ( 3.518 -1.288 -0.687) 3.809 6.975 ( 3.636 -0.743 3.238) 4.925 7.339 ( 1.548 0.477 4.879) 5.140 7.456 ( 4.573 -0.728 8.636) 9.799 7.712 ( 1.677 6.489 -6.613) 9.415 7.881 ( -1.322 0.429 5.124) 5.309 7.966 ( 4.515 2.919 1.122) 5.492 8.119 ( 4.167 4.000 3.743) 6.883 11.414 ( 1.780 2.193 -0.436) 2.858 11.487 ( -0.241 0.124 -3.861) 3.870 11.608 ( 5.486 5.857 5.565) 9.766 11.719 ( 0.761 1.898 6.956) 7.250 13.371 ( 0.412 2.065 5.130) 5.545 13.451 ( 0.238 3.587 2.600) 4.436 13.515 ( 2.118 6.649 -1.319) 7.102 13.744 ( 0.212 7.923 3.767) 8.776 14.732 ( 0.576 -1.847 -0.861) 2.118 14.747 ( -0.454 -0.667 0.105) 0.814 14.858 ( -0.870 -10.745 -16.795) 19.958 15.198 ( -10.075 -17.977 1.957) 20.701 ======================= Grid point 213 (105/160) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -2.623 2.237 13.006) 13.456 0.958 ( -2.076 -0.762 5.134) 5.590 1.165 ( 4.719 3.720 -1.698) 6.244 1.275 ( -2.731 -2.971 -1.288) 4.236 1.401 ( -1.641 3.205 2.220) 4.230 1.484 ( 0.346 -3.891 -2.965) 4.904 1.599 ( -4.513 -3.093 -0.014) 5.471 1.622 ( -7.244 3.192 1.233) 8.012 1.749 ( 1.129 -2.185 -0.809) 2.589 1.800 ( 4.415 -2.110 -3.455) 5.990 1.986 ( -0.149 -6.746 2.255) 7.115 2.046 ( -3.769 -1.591 -0.966) 4.204 2.309 ( 3.722 3.098 1.474) 5.062 2.388 ( -4.609 2.205 0.375) 5.123 2.466 ( 1.498 2.124 -9.556) 9.903 2.667 ( 5.139 1.444 -7.140) 8.915 2.779 ( 4.313 1.916 -1.468) 4.942 2.934 ( 0.027 3.787 -4.655) 6.001 2.960 ( -1.524 -3.597 -4.867) 6.241 3.187 ( 11.068 -5.326 0.008) 12.283 3.233 ( -1.186 0.196 -3.876) 4.059 3.431 ( 0.879 -0.580 -4.042) 4.177 3.635 ( -6.320 -0.268 1.602) 6.525 3.790 ( 0.253 -1.053 -3.466) 3.632 3.867 ( -4.680 -3.929 2.132) 6.472 4.009 ( 0.600 -6.010 -2.328) 6.473 4.181 ( -2.757 -2.773 -3.252) 5.085 4.347 ( -4.500 -7.958 -6.638) 11.298 4.412 ( 0.841 0.519 -2.774) 2.945 4.463 ( -4.364 -5.665 -2.533) 7.587 4.720 ( -0.558 2.714 3.082) 4.144 4.773 ( 2.098 1.062 1.800) 2.961 4.973 ( -0.009 2.610 -0.775) 2.723 5.162 ( 0.173 1.162 -3.594) 3.781 5.276 ( 2.171 2.408 4.158) 5.273 5.393 ( -0.691 -0.797 3.914) 4.054 6.239 ( -0.370 -1.653 -3.100) 3.532 6.355 ( -4.572 -4.660 -0.805) 6.578 6.676 ( -1.053 -0.343 -1.816) 2.127 6.790 ( -0.818 -3.887 -3.050) 5.008 6.996 ( 2.620 1.093 1.904) 3.418 7.073 ( 2.297 2.598 4.434) 5.629 7.433 ( 4.382 4.376 2.644) 6.733 7.561 ( -2.431 4.386 1.101) 5.134 7.720 ( 6.553 -0.027 1.926) 6.830 7.890 ( -4.569 -1.565 4.923) 6.896 8.066 ( 4.459 6.512 3.572) 8.663 8.196 ( 0.679 5.752 3.106) 6.572 11.417 ( 0.684 0.514 -2.066) 2.236 11.434 ( -1.106 0.471 -3.448) 3.652 11.767 ( 4.733 9.802 7.386) 13.154 11.810 ( 0.235 8.759 7.220) 11.354 13.397 ( -3.000 2.912 2.327) 4.785 13.466 ( -0.991 6.837 0.640) 6.938 13.568 ( 2.874 4.884 4.706) 7.367 13.763 ( -3.167 7.749 5.203) 9.856 14.728 ( 1.832 -4.961 -5.732) 7.799 14.741 ( 0.409 -1.994 -0.254) 2.051 14.753 ( 6.988 -13.665 -8.982) 17.783 15.019 ( -10.664 -23.264 -4.523) 25.988 ======================= Grid point 214 (106/160) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -2.416 -1.738 10.302) 10.723 1.122 ( 7.036 2.037 12.088) 14.134 1.182 ( -2.841 -1.468 -4.371) 5.415 1.265 ( 4.385 2.685 4.070) 6.558 1.395 ( -2.368 2.014 2.945) 4.282 1.463 ( 1.222 -3.641 -2.351) 4.503 1.510 ( -4.659 0.647 -2.286) 5.230 1.518 ( -4.761 -0.829 -0.398) 4.848 1.714 ( -1.103 -1.934 -4.580) 5.093 1.819 ( 4.724 -1.460 -6.062) 7.823 1.956 ( -5.128 -0.641 2.079) 5.570 2.041 ( 3.744 -3.786 -0.179) 5.328 2.297 ( -3.508 -1.037 -3.730) 5.225 2.336 ( 2.255 2.933 -12.337) 12.880 2.424 ( 2.585 0.368 1.837) 3.193 2.603 ( -0.082 0.041 -10.241) 10.242 2.772 ( -2.529 4.138 1.153) 4.984 2.901 ( 2.157 4.240 -3.903) 6.154 3.010 ( 3.874 -5.385 -0.337) 6.642 3.100 ( -3.694 -6.238 -5.606) 9.164 3.323 ( -6.105 -4.273 2.970) 8.022 3.419 ( 5.995 -5.315 0.139) 8.013 3.604 ( 1.072 4.877 1.070) 5.107 3.706 ( -3.138 2.514 -2.531) 4.751 3.883 ( 3.518 -7.851 0.641) 8.627 3.968 ( -2.758 -6.948 -2.557) 7.901 4.127 ( -0.092 -4.938 -1.274) 5.101 4.262 ( 3.332 -8.299 -6.089) 10.819 4.366 ( -3.495 -1.092 -0.656) 3.719 4.425 ( 2.574 -2.512 -2.104) 4.167 4.731 ( -2.439 2.070 3.326) 4.615 4.808 ( 1.091 1.964 -0.238) 2.259 4.996 ( 0.785 3.229 1.639) 3.705 5.109 ( -1.008 1.167 -3.813) 4.113 5.339 ( 0.975 2.043 2.702) 3.525 5.405 ( -1.090 0.184 1.061) 1.532 6.221 ( -0.734 -3.873 -0.437) 3.966 6.297 ( 1.234 -5.066 -3.324) 6.183 6.656 ( -1.065 -2.079 0.806) 2.471 6.760 ( 1.522 -4.959 -3.143) 6.065 7.067 ( 1.214 5.378 4.239) 6.954 7.126 ( -0.898 5.569 3.359) 6.565 7.463 ( -4.063 6.498 -2.615) 8.098 7.530 ( 4.678 6.211 -2.101) 8.055 7.835 ( -6.562 -2.645 6.661) 9.717 7.901 ( 5.908 -4.410 4.162) 8.466 8.164 ( 2.006 7.747 3.710) 8.821 8.209 ( -2.084 6.685 1.695) 7.204 11.384 ( -1.421 0.085 -1.500) 2.068 11.401 ( 0.362 -0.374 -2.099) 2.162 11.867 ( -2.578 13.982 6.008) 15.435 11.898 ( 2.253 13.312 5.341) 14.520 13.368 ( -3.168 3.470 2.468) 5.307 13.451 ( 1.039 7.716 -1.325) 7.897 13.658 ( -0.798 -0.306 7.368) 7.418 13.802 ( 2.385 5.286 3.358) 6.701 14.716 ( 1.186 -4.385 -2.453) 5.163 14.733 ( -1.073 -1.635 -0.028) 1.956 14.760 ( -10.074 -21.526 -7.480) 24.916 14.832 ( 11.025 -18.186 -7.667) 22.607 ======================= Grid point 215 (107/160) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -10.137 -1.330 -0.228) 10.227 1.182 ( -3.203 0.159 5.153) 6.069 1.251 ( -1.010 3.080 -0.241) 3.251 1.352 ( 1.500 -0.803 3.056) 3.497 1.408 ( -0.322 -1.248 -3.025) 3.288 1.451 ( 2.981 1.313 1.256) 3.491 1.492 ( 2.305 -3.103 2.112) 4.405 1.532 ( 3.998 -0.972 6.798) 7.946 1.691 ( 4.138 1.919 -2.232) 5.078 1.822 ( 6.791 -2.496 -7.849) 10.675 1.926 ( -3.462 -0.679 3.386) 4.890 2.088 ( 4.114 -0.329 -3.193) 5.217 2.221 ( -0.148 -4.595 -2.284) 5.133 2.281 ( 3.960 0.490 -4.638) 6.118 2.455 ( -1.502 -1.083 -0.478) 1.912 2.509 ( -0.180 0.237 -4.476) 4.486 2.719 ( -4.782 -1.214 0.692) 4.982 2.865 ( -2.595 6.172 -3.165) 7.405 2.933 ( -6.055 0.915 0.212) 6.127 3.107 ( 0.048 -5.290 -0.813) 5.352 3.181 ( -6.224 -0.458 0.162) 6.242 3.463 ( -4.767 5.526 -1.609) 7.473 3.630 ( 1.525 -1.705 3.789) 4.426 3.751 ( 7.816 2.049 -2.098) 8.348 3.893 ( -1.205 -5.542 -1.667) 5.911 3.932 ( 0.400 -5.622 0.458) 5.655 4.176 ( 5.547 -5.906 1.257) 8.200 4.297 ( 4.864 -3.510 -4.091) 7.260 4.353 ( 5.075 -6.494 0.252) 8.246 4.464 ( 5.128 -5.274 -1.486) 7.505 4.718 ( -3.195 2.128 2.805) 4.754 4.815 ( 0.647 1.029 -0.646) 1.377 4.973 ( -4.412 4.658 -0.402) 6.429 5.085 ( 0.962 -0.666 -0.566) 1.299 5.373 ( 0.105 1.412 2.308) 2.707 5.384 ( -1.805 0.533 -0.811) 2.050 6.191 ( -1.561 -3.351 -0.476) 3.727 6.330 ( 5.877 -6.017 -2.259) 8.709 6.656 ( -0.744 -2.978 1.752) 3.534 6.769 ( 3.659 -5.443 -2.765) 7.118 7.052 ( -6.110 7.353 0.797) 9.593 7.167 ( 0.654 7.581 2.462) 7.998 7.379 ( -4.162 4.892 0.780) 6.471 7.556 ( 3.300 4.823 -4.895) 7.624 7.776 ( -8.053 -2.254 5.507) 10.013 8.032 ( 5.229 -4.399 1.369) 6.969 8.154 ( -4.748 5.993 0.411) 7.657 8.219 ( -0.630 7.125 1.944) 7.412 11.359 ( -0.982 0.166 0.368) 1.062 11.391 ( 0.533 -0.788 -0.793) 1.238 11.856 ( -5.628 14.518 3.760) 16.018 11.950 ( -0.413 11.668 1.635) 11.789 13.355 ( -0.955 4.152 1.408) 4.487 13.507 ( 4.748 7.433 1.877) 9.017 13.721 ( 0.426 1.489 6.279) 6.467 13.882 ( 4.901 1.248 -0.348) 5.069 14.444 ( -16.095 -20.760 -7.316) 27.268 14.719 ( -0.504 -1.285 -0.001) 1.380 14.736 ( 0.972 -1.079 -0.202) 1.466 14.967 ( 13.398 -18.891 -4.826) 23.658 ======================= Grid point 216 (108/160) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -6.300 6.232 5.734) 10.555 1.063 ( -9.723 6.499 1.857) 11.842 1.278 ( 3.452 -2.403 -2.919) 5.120 1.377 ( 4.528 -2.058 -5.058) 7.093 1.392 ( 0.157 -1.771 -0.359) 1.814 1.493 ( 0.018 -2.137 0.372) 2.169 1.576 ( 3.911 -5.971 2.950) 7.723 1.653 ( 1.410 1.568 4.070) 4.584 1.739 ( 0.927 1.708 -0.470) 1.999 1.855 ( 2.582 -2.659 -3.822) 5.325 1.916 ( -0.110 -0.862 1.992) 2.173 2.149 ( 6.190 2.383 1.389) 6.777 2.212 ( -0.613 -6.006 -1.366) 6.190 2.348 ( 2.512 2.279 2.610) 4.280 2.419 ( 0.768 -1.767 0.977) 2.161 2.491 ( 3.205 -0.226 -1.585) 3.583 2.699 ( -1.080 -0.155 5.405) 5.514 2.779 ( -2.551 6.327 -2.283) 7.194 2.866 ( -4.427 2.778 2.390) 5.747 3.030 ( -5.487 4.829 0.607) 7.335 3.173 ( 1.241 1.071 -0.535) 1.724 3.350 ( -5.604 4.536 -1.347) 7.334 3.667 ( -1.375 -2.707 3.600) 4.710 3.813 ( 3.338 0.398 -4.052) 5.265 3.898 ( 1.193 -1.379 1.535) 2.384 3.933 ( -1.167 -2.988 1.394) 3.498 4.278 ( 4.571 -2.076 1.410) 5.215 4.308 ( 1.560 2.135 -1.513) 3.046 4.433 ( 1.721 -1.359 -1.867) 2.880 4.536 ( 0.858 -3.109 -0.573) 3.276 4.757 ( 7.754 -9.018 -0.942) 11.930 4.818 ( 3.417 -2.240 -1.187) 4.254 4.918 ( -1.481 1.899 2.392) 3.395 5.099 ( 0.535 1.054 1.484) 1.898 5.329 ( -3.231 0.615 -2.040) 3.870 5.400 ( 0.105 -0.565 2.620) 2.682 6.182 ( 0.653 -0.832 0.640) 1.236 6.410 ( 6.032 -5.763 -0.627) 8.366 6.672 ( 0.481 -2.509 1.418) 2.922 6.810 ( 4.457 -5.356 -1.738) 7.181 6.949 ( -6.027 5.965 -0.436) 8.491 7.139 ( -3.959 5.317 -2.511) 7.088 7.359 ( -1.958 3.495 3.508) 5.325 7.550 ( 1.236 2.545 -1.515) 3.209 7.705 ( -5.398 -0.310 0.417) 5.423 8.039 ( -6.222 4.595 -0.914) 7.789 8.111 ( 2.922 -4.724 -3.032) 6.329 8.193 ( -4.381 5.651 0.401) 7.161 11.359 ( -0.531 0.955 1.501) 1.857 11.400 ( 0.703 -0.741 0.630) 1.200 11.776 ( -7.427 10.493 0.451) 12.863 11.937 ( -0.459 4.689 -1.918) 5.087 13.365 ( -0.131 3.946 1.280) 4.151 13.566 ( -0.550 4.912 0.680) 4.990 13.817 ( 7.236 14.782 -4.489) 17.059 13.949 ( 5.227 -7.209 -6.236) 10.871 14.141 ( -16.599 -14.327 9.279) 23.809 14.711 ( -0.435 -0.706 0.217) 0.857 14.751 ( 0.781 -0.694 0.089) 1.049 15.143 ( 12.917 -16.997 -0.660) 21.358 ======================= Grid point 217 (109/160) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.441 10.692 8.159) 13.457 0.982 ( -5.736 7.263 6.256) 11.171 1.294 ( 5.864 -1.837 -7.639) 9.804 1.379 ( -0.625 -3.658 -0.706) 3.778 1.419 ( 4.167 -2.578 -1.156) 5.034 1.480 ( -2.150 -2.503 -1.865) 3.790 1.547 ( -6.832 -2.696 1.473) 7.491 1.672 ( -3.393 2.608 -1.170) 4.437 1.768 ( 4.185 -1.568 2.135) 4.953 1.830 ( 0.744 -3.141 -3.237) 4.572 1.966 ( 2.560 -2.597 2.619) 4.490 2.132 ( -3.296 -4.677 -4.798) 7.467 2.276 ( 3.712 4.124 5.277) 7.657 2.384 ( 2.158 4.871 0.323) 5.338 2.498 ( 2.953 -0.334 4.440) 5.343 2.586 ( 6.428 3.117 0.348) 7.152 2.706 ( -3.019 7.205 -1.289) 7.917 2.822 ( 1.039 2.603 10.071) 10.453 2.874 ( 0.268 2.663 4.360) 5.116 3.001 ( -0.699 3.200 6.873) 7.614 3.174 ( 0.024 1.900 -1.412) 2.368 3.281 ( -2.445 4.582 0.830) 5.260 3.686 ( -0.867 -1.912 1.409) 2.529 3.783 ( 0.415 -0.740 -3.289) 3.397 3.907 ( -2.344 -1.314 0.412) 2.719 3.963 ( 2.060 2.727 2.899) 4.481 4.297 ( -2.374 3.856 0.367) 4.543 4.332 ( -0.365 3.510 0.064) 3.530 4.377 ( -3.516 3.880 0.968) 5.324 4.509 ( -2.856 3.190 0.441) 4.305 4.771 ( 1.007 -4.657 -1.824) 5.101 4.882 ( 3.557 -2.088 -1.382) 4.350 5.006 ( 0.762 -9.456 2.193) 9.736 5.191 ( 8.575 -1.966 -1.430) 8.913 5.252 ( -0.274 0.809 -2.069) 2.239 5.446 ( 3.362 -5.824 2.298) 7.106 6.232 ( 3.283 2.508 2.817) 5.001 6.501 ( 4.258 -4.650 1.966) 6.604 6.705 ( 1.821 -0.661 1.835) 2.668 6.825 ( -3.158 0.222 -0.290) 3.179 6.904 ( 3.029 -1.409 -1.127) 3.526 7.032 ( -4.051 2.203 -2.913) 5.454 7.383 ( 1.597 -0.368 1.684) 2.350 7.550 ( -1.866 0.358 -0.721) 2.032 7.624 ( -1.132 2.498 -3.240) 4.245 7.901 ( -8.604 2.397 -1.659) 9.085 8.090 ( -7.764 3.421 -1.404) 8.600 8.106 ( 2.033 -4.749 -5.687) 7.683 11.368 ( -0.536 2.162 1.360) 2.610 11.423 ( 0.577 -0.325 1.572) 1.706 11.638 ( -7.780 5.518 -3.010) 10.002 11.901 ( 0.886 -3.600 -5.338) 6.499 13.365 ( -1.966 2.645 1.449) 3.600 13.506 ( -4.060 3.410 -4.051) 6.672 13.732 ( -12.192 -8.033 -7.243) 16.298 13.808 ( 4.840 8.439 -12.639) 15.950 14.335 ( 6.003 3.159 23.084) 24.060 14.712 ( -0.024 -0.154 0.604) 0.624 14.761 ( 0.465 -0.268 -0.041) 0.538 15.361 ( 12.843 -12.571 2.553) 18.152 ======================= Grid point 218 (110/160) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.859 8.684 8.022) 11.854 0.978 ( -5.114 4.194 3.057) 7.287 1.299 ( 3.854 1.677 -6.004) 7.329 1.360 ( 0.624 -2.563 -3.499) 4.382 1.399 ( -3.797 -3.480 2.192) 5.597 1.462 ( 2.604 -1.819 -2.493) 4.038 1.510 ( -0.729 2.092 3.888) 4.475 1.582 ( -3.167 -0.205 -2.019) 3.762 1.794 ( 0.591 -3.401 -4.945) 6.031 1.861 ( 1.183 -3.532 1.616) 4.061 2.015 ( 0.879 -1.988 1.198) 2.482 2.084 ( 3.291 -5.949 -1.111) 6.889 2.369 ( -1.081 0.554 -2.522) 2.799 2.428 ( 3.089 7.943 10.447) 13.482 2.595 ( 1.844 1.046 5.399) 5.801 2.649 ( 2.600 7.336 -1.536) 7.933 2.662 ( -1.314 7.421 0.512) 7.554 2.886 ( -1.500 4.016 2.667) 5.049 2.928 ( 2.575 6.628 2.211) 7.446 3.112 ( -1.222 -2.106 1.334) 2.776 3.162 ( -0.845 0.772 4.761) 4.896 3.320 ( 0.853 6.858 10.971) 12.966 3.624 ( -3.783 -1.940 -3.666) 5.614 3.813 ( 4.011 -0.155 -0.248) 4.022 3.878 ( 0.811 5.073 -0.086) 5.138 4.024 ( 0.035 2.480 4.717) 5.330 4.250 ( -6.822 6.710 2.064) 9.789 4.289 ( -2.648 6.921 0.795) 7.453 4.372 ( -1.954 6.188 2.988) 7.144 4.511 ( 2.814 1.769 4.286) 5.424 4.787 ( 1.089 -5.706 1.161) 5.924 4.919 ( 0.596 -3.089 0.354) 3.166 4.985 ( -2.007 -4.268 -0.851) 4.793 5.134 ( -2.844 0.999 -4.216) 5.183 5.316 ( 3.421 -2.802 -3.168) 5.440 5.558 ( 8.875 -11.922 -4.496) 15.527 6.324 ( 2.806 4.514 3.592) 6.415 6.567 ( 1.219 -2.652 1.687) 3.371 6.753 ( -2.667 -1.409 1.636) 3.431 6.759 ( -1.240 -1.187 -0.959) 1.966 6.953 ( 3.089 -3.224 -0.801) 4.536 7.028 ( 6.104 4.007 3.997) 8.324 7.395 ( -3.306 -0.974 -5.603) 6.578 7.505 ( 6.541 -1.655 -2.751) 7.287 7.599 ( -2.591 0.976 -0.665) 2.848 7.772 ( -5.164 0.426 1.151) 5.308 7.918 ( -10.959 1.428 -2.460) 11.322 8.057 ( 1.362 -4.207 -7.892) 9.047 11.363 ( -1.290 2.765 0.069) 3.052 11.436 ( -2.454 0.738 0.353) 2.587 11.505 ( -2.649 1.909 -1.431) 3.565 11.841 ( 0.955 -8.955 -8.189) 12.172 13.335 ( -3.887 0.907 1.639) 4.314 13.391 ( -2.924 2.299 -4.336) 5.713 13.518 ( -7.016 -3.750 -2.667) 8.390 13.719 ( 1.278 4.344 -11.552) 12.408 14.696 ( 6.447 7.650 21.545) 23.754 14.722 ( 0.162 0.193 0.922) 0.955 14.767 ( 0.300 0.654 1.056) 1.278 15.556 ( 8.617 -7.533 -0.552) 11.459 ======================= Grid point 219 (111/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.636 -7.330 -1.004) 7.854 0.974 ( -1.112 -10.553 -4.715) 11.612 1.270 ( 1.013 3.128 -1.038) 3.448 1.348 ( -1.383 3.205 -3.570) 4.993 1.402 ( -2.212 5.043 4.271) 6.969 1.460 ( 0.039 -0.433 0.575) 0.721 1.509 ( -1.408 -0.625 -2.328) 2.792 1.610 ( 0.461 -0.995 -2.919) 3.118 1.720 ( 3.614 -0.228 -0.889) 3.728 1.804 ( -1.718 -3.747 -3.472) 5.389 1.942 ( 3.158 -1.797 3.743) 5.217 2.067 ( 3.849 -4.641 0.780) 6.080 2.362 ( -0.697 1.644 -0.693) 1.916 2.497 ( -3.740 -3.861 -5.109) 7.416 2.772 ( 0.164 4.972 9.880) 11.061 2.838 ( -1.741 5.631 4.633) 7.497 2.910 ( 2.298 6.609 2.685) 7.495 3.001 ( -3.176 7.787 0.398) 8.419 3.052 ( 0.088 -1.695 1.623) 2.348 3.087 ( 0.618 7.132 1.142) 7.249 3.171 ( -0.492 0.788 7.905) 7.959 3.504 ( 0.281 0.501 -4.536) 4.572 3.635 ( -1.437 6.551 10.150) 12.166 3.872 ( 4.315 -2.364 -0.466) 4.942 4.088 ( 2.750 8.247 2.414) 9.022 4.124 ( -2.025 6.566 2.142) 7.197 4.359 ( -2.205 9.316 3.822) 10.308 4.415 ( -1.458 7.897 1.317) 8.137 4.513 ( 0.436 4.210 4.337) 6.061 4.669 ( 1.937 -0.753 -0.283) 2.098 4.715 ( 3.536 -5.827 2.427) 7.235 4.780 ( -5.004 -2.252 6.153) 8.244 4.882 ( 0.794 -5.610 -4.012) 6.943 5.090 ( -0.008 1.399 -6.435) 6.585 5.175 ( -0.491 -10.093 -1.876) 10.278 5.318 ( 0.923 -12.053 -6.403) 13.679 6.444 ( -0.403 2.350 1.253) 2.693 6.539 ( 1.150 -3.299 -1.653) 3.865 6.697 ( -1.767 0.361 1.213) 2.173 6.723 ( 1.002 -0.875 0.104) 1.334 7.001 ( 0.144 4.684 4.476) 6.480 7.217 ( -1.795 -4.906 3.803) 6.461 7.375 ( 8.931 9.142 -4.499) 13.549 7.461 ( -7.351 -1.285 -2.091) 7.750 7.509 ( -0.183 -5.154 0.106) 5.159 7.704 ( 0.229 -3.898 -7.551) 8.501 7.814 ( 0.473 2.479 1.058) 2.736 7.915 ( -0.017 -3.004 -4.851) 5.705 11.376 ( -1.747 1.741 -1.058) 2.684 11.397 ( -2.040 0.719 -1.162) 2.455 11.530 ( 0.643 1.153 0.689) 1.490 11.628 ( 1.354 -4.743 -4.997) 7.022 13.297 ( -0.737 -0.055 0.399) 0.840 13.334 ( 0.619 -1.446 -1.238) 2.002 13.461 ( 0.335 1.677 -1.757) 2.452 13.587 ( -0.188 -3.413 -9.017) 9.643 14.739 ( -0.012 0.290 0.657) 0.718 14.756 ( 0.055 -0.418 -0.204) 0.468 15.198 ( 0.589 10.305 15.101) 18.292 15.510 ( 0.319 -4.856 -0.742) 4.923 ======================= Grid point 220 (112/160) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.251 -10.606 5.304) 11.861 0.900 ( -0.103 -11.672 -4.870) 12.648 1.258 ( -3.798 4.574 -3.092) 6.701 1.312 ( 1.824 3.678 2.544) 4.829 1.408 ( -1.504 4.269 1.814) 4.876 1.490 ( -0.441 -2.481 1.998) 3.216 1.507 ( 2.858 -1.879 3.144) 4.646 1.559 ( -1.926 0.783 -2.876) 3.549 1.722 ( -0.173 -1.804 -5.532) 5.822 1.787 ( 3.349 -2.933 0.366) 4.467 1.996 ( -2.643 0.599 -2.182) 3.479 2.038 ( -2.005 -2.090 -2.427) 3.779 2.385 ( -1.930 -1.439 -3.293) 4.079 2.421 ( 2.648 -2.929 4.621) 6.078 2.814 ( -3.790 3.764 3.340) 6.300 2.840 ( -1.702 2.604 0.503) 3.151 2.924 ( -4.206 9.627 1.955) 10.686 2.994 ( 2.356 4.815 1.941) 5.701 3.061 ( -1.967 0.628 1.492) 2.547 3.088 ( 0.339 2.853 -0.702) 2.957 3.319 ( 4.583 7.470 10.244) 13.481 3.458 ( 2.054 8.637 -8.043) 11.979 3.688 ( -3.659 -0.762 7.589) 8.459 3.876 ( -1.449 -2.694 -4.345) 5.314 4.027 ( -6.534 7.703 -1.152) 10.166 4.141 ( -1.704 3.925 3.739) 5.682 4.422 ( 0.851 8.080 0.125) 8.126 4.442 ( 4.311 5.559 2.977) 7.639 4.571 ( -6.514 -5.002 1.836) 8.416 4.589 ( -1.554 -1.240 4.999) 5.380 4.695 ( -5.146 -4.394 2.720) 7.293 4.790 ( -2.866 -2.765 -5.846) 7.074 4.942 ( 6.148 1.151 4.626) 7.780 5.063 ( 4.738 -0.883 -5.908) 7.625 5.150 ( -1.010 -6.705 1.118) 6.872 5.245 ( -0.000 -8.971 -6.260) 10.939 6.437 ( -3.166 0.176 3.138) 4.461 6.507 ( -1.879 -3.522 -2.672) 4.804 6.709 ( 0.864 0.304 1.721) 1.949 6.760 ( 3.453 -1.482 -0.367) 3.776 7.061 ( -1.646 5.409 6.943) 8.954 7.171 ( 0.048 5.587 -9.398) 10.934 7.239 ( -9.788 -2.007 3.306) 10.524 7.370 ( -7.833 -3.701 -3.852) 9.481 7.629 ( 13.090 0.325 1.509) 13.181 7.776 ( 9.592 -4.432 -3.020) 10.989 7.860 ( 3.509 0.699 1.108) 3.746 7.879 ( 2.462 0.367 -3.170) 4.030 11.363 ( 0.457 1.507 1.132) 1.939 11.401 ( 2.632 -0.343 1.442) 3.020 11.541 ( 0.490 1.309 -0.395) 1.452 11.618 ( 3.150 -2.138 -3.891) 5.444 13.315 ( 2.146 1.295 -0.193) 2.514 13.382 ( 6.305 -0.755 -0.216) 6.354 13.464 ( 0.474 0.247 -1.125) 1.246 13.543 ( 5.265 -3.662 -3.059) 7.106 14.740 ( -0.614 0.110 0.413) 0.748 14.752 ( -0.140 -0.371 -0.228) 0.457 15.268 ( -10.160 4.290 10.561) 15.270 15.396 ( -9.760 -1.270 -5.182) 11.123 ======================= Grid point 221 (113/160) ======================= q-point: ( 0.20 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -2.341 -8.378 0.922) 8.747 0.950 ( 3.649 -11.062 4.276) 12.408 1.184 ( -3.400 2.852 1.021) 4.554 1.302 ( -3.841 -2.517 -1.024) 4.706 1.427 ( -0.503 4.079 0.465) 4.136 1.510 ( 1.359 5.045 2.390) 5.746 1.534 ( -0.485 -0.521 2.874) 2.961 1.607 ( 4.786 -2.407 3.137) 6.208 1.702 ( 3.969 1.314 -3.977) 5.771 1.781 ( -2.976 -1.352 -2.848) 4.336 1.926 ( -3.756 -2.615 -3.263) 5.620 1.936 ( -1.715 -5.290 -1.556) 5.775 2.381 ( 0.855 1.688 0.873) 2.084 2.485 ( -0.476 -2.253 3.077) 3.843 2.771 ( -4.433 6.781 -1.942) 8.331 2.799 ( -1.771 6.492 0.571) 6.754 2.863 ( -3.782 8.362 -1.826) 9.357 3.038 ( -0.336 2.902 2.422) 3.794 3.049 ( -0.422 2.247 0.510) 2.343 3.097 ( 0.096 0.299 1.936) 1.962 3.367 ( -0.692 6.848 -9.322) 11.587 3.464 ( -0.125 5.600 5.651) 7.957 3.717 ( -0.348 -3.260 2.036) 3.859 3.769 ( -1.277 -5.114 -6.902) 8.684 3.925 ( -4.695 3.389 -0.819) 5.848 4.100 ( -6.759 -2.472 0.457) 7.211 4.373 ( -4.827 -1.059 -3.336) 5.962 4.468 ( -6.451 -7.434 -0.850) 9.880 4.494 ( 0.270 3.431 0.306) 3.456 4.623 ( -2.389 -2.342 -0.815) 3.443 4.661 ( 1.208 1.849 -1.727) 2.804 4.728 ( -1.115 0.710 4.085) 4.293 4.988 ( 1.081 -0.816 -2.907) 3.207 5.109 ( 3.346 0.741 2.066) 4.002 5.205 ( 1.524 -3.609 -2.114) 4.451 5.223 ( 4.559 -0.960 4.064) 6.182 6.411 ( -4.838 -2.352 2.991) 6.155 6.424 ( -4.138 -2.225 -3.578) 5.905 6.756 ( 2.661 -0.371 1.082) 2.896 6.813 ( 3.856 -2.691 -1.065) 4.822 7.008 ( -5.672 4.446 -4.684) 8.595 7.021 ( -7.900 2.696 -0.354) 8.355 7.250 ( 2.242 -0.043 4.612) 5.128 7.324 ( 3.067 -1.219 2.224) 3.979 7.794 ( 6.874 1.674 -2.823) 7.617 7.838 ( 2.494 -0.442 0.594) 2.601 7.919 ( 5.577 2.069 0.315) 5.957 8.001 ( 9.122 -0.811 2.544) 9.505 11.413 ( 2.445 2.073 2.372) 3.988 11.475 ( 2.087 -1.664 1.303) 2.970 11.568 ( 5.282 3.576 0.743) 6.422 11.644 ( 3.873 -0.391 0.020) 3.893 13.350 ( 1.683 2.019 1.101) 2.850 13.462 ( 1.692 1.143 -0.648) 2.142 13.508 ( 9.152 0.650 -0.636) 9.197 13.668 ( 9.221 -3.109 2.524) 10.053 14.729 ( -1.122 -0.087 -0.067) 1.127 14.746 ( -0.426 -0.518 -0.184) 0.695 15.068 ( -17.256 0.074 -6.699) 18.511 15.164 ( -16.389 -4.472 1.953) 17.100 ======================= Grid point 222 (114/160) ======================= q-point: ( 0.30 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -1.062 -0.837 5.758) 5.915 0.988 ( -2.697 -3.794 1.744) 4.971 1.200 ( -1.324 -2.027 6.563) 6.995 1.234 ( -2.810 -1.920 0.457) 3.434 1.424 ( 2.906 2.490 -2.534) 4.589 1.523 ( -1.343 4.843 -0.043) 5.026 1.588 ( -0.100 -0.738 2.152) 2.277 1.664 ( -2.191 -0.941 -2.512) 3.463 1.711 ( 2.933 -4.026 -0.304) 4.991 1.734 ( 2.561 0.853 -1.736) 3.209 1.858 ( -0.279 -3.255 0.082) 3.268 1.960 ( 1.559 -5.247 2.423) 5.986 2.381 ( -1.242 3.222 -0.136) 3.456 2.482 ( -1.311 -0.467 0.258) 1.415 2.640 ( -5.942 9.367 -5.171) 12.239 2.754 ( -0.860 1.584 -8.164) 8.361 2.822 ( -1.004 9.929 4.131) 10.801 3.011 ( -2.457 3.307 -1.742) 4.473 3.059 ( -1.091 -0.149 2.361) 2.605 3.101 ( -3.291 -0.129 -2.987) 4.446 3.272 ( 1.434 0.743 -4.998) 5.252 3.426 ( -5.041 -4.959 -4.529) 8.397 3.648 ( -2.514 -4.188 -0.885) 4.964 3.752 ( -0.596 -5.557 -1.325) 5.744 3.891 ( -3.370 1.174 3.403) 4.931 3.974 ( -4.814 -3.895 -2.463) 6.665 4.246 ( -2.452 -1.782 -8.445) 8.973 4.338 ( -6.109 -7.527 -4.404) 10.647 4.472 ( -1.536 1.840 -1.947) 3.088 4.515 ( -2.251 -0.753 -5.937) 6.394 4.727 ( 2.622 2.646 2.984) 4.773 4.750 ( -0.951 1.410 2.587) 3.096 5.002 ( 2.242 1.514 -0.027) 2.705 5.155 ( 2.056 -2.563 -1.079) 3.458 5.252 ( 2.929 3.345 2.878) 5.296 5.332 ( 2.564 -0.147 4.071) 4.813 6.309 ( -4.317 -0.850 -4.338) 6.178 6.347 ( -5.540 -3.954 0.454) 6.821 6.755 ( -1.118 0.770 -5.025) 5.206 6.803 ( -0.879 -2.183 -5.883) 6.336 6.949 ( 0.339 1.642 3.762) 4.119 6.992 ( 1.742 0.900 6.137) 6.442 7.365 ( 4.314 1.952 6.260) 7.849 7.442 ( 3.610 -1.064 7.813) 8.672 7.802 ( 2.630 3.151 -6.595) 7.768 7.873 ( 0.168 -0.971 0.230) 1.012 8.047 ( 7.244 4.945 3.259) 9.357 8.164 ( 6.111 0.380 4.359) 7.516 11.445 ( 0.677 1.081 -1.502) 1.970 11.478 ( 0.421 -0.702 -2.921) 3.034 11.728 ( 8.369 5.718 7.040) 12.341 11.778 ( 7.041 3.144 7.916) 11.051 13.391 ( 0.722 1.271 2.549) 2.938 13.500 ( 4.079 -0.003 -1.387) 4.308 13.634 ( 6.673 6.576 0.033) 9.369 13.852 ( 7.362 1.192 5.615) 9.335 14.641 ( -11.937 -4.499 -10.498) 16.521 14.731 ( -1.389 -1.855 -1.173) 2.597 14.751 ( -4.719 -0.946 -2.190) 5.288 14.888 ( -18.285 -12.451 -0.820) 22.137 ======================= Grid point 223 (115/160) ======================= q-point: ( 0.40 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 3.545 2.554 10.517) 11.388 0.971 ( -3.775 1.024 5.442) 6.702 1.231 ( 0.348 2.747 -0.282) 2.783 1.234 ( -1.404 -0.169 6.115) 6.276 1.429 ( -0.019 -1.520 -2.448) 2.882 1.478 ( -2.843 2.768 -4.026) 5.653 1.537 ( -1.249 -2.366 -1.720) 3.180 1.638 ( -3.192 -2.241 2.364) 4.561 1.734 ( -0.503 0.753 -2.034) 2.226 1.754 ( 4.054 -2.223 -2.813) 5.412 1.883 ( 1.798 -2.755 1.255) 3.521 1.990 ( -2.096 -4.373 1.652) 5.123 2.381 ( 2.374 4.466 0.362) 5.071 2.466 ( -4.386 4.715 -1.299) 6.569 2.505 ( 0.951 2.412 -7.019) 7.483 2.637 ( 2.936 -2.243 -14.368) 14.835 2.874 ( 0.683 6.198 3.547) 7.174 2.907 ( -5.582 -1.466 -8.600) 10.357 2.970 ( -0.548 0.371 -3.540) 3.601 3.097 ( 1.772 -2.822 1.457) 3.637 3.154 ( -7.526 -7.877 -6.236) 12.553 3.339 ( -7.841 -10.396 4.605) 13.812 3.651 ( 1.558 1.965 2.772) 3.738 3.735 ( 0.590 -3.680 -0.467) 3.756 3.819 ( -4.547 0.771 -1.062) 4.733 3.947 ( 0.761 -1.687 -1.492) 2.377 4.125 ( -0.613 -1.762 -8.851) 9.046 4.191 ( -2.033 -6.044 -8.550) 10.666 4.427 ( -2.555 0.675 -0.994) 2.823 4.439 ( -0.719 0.851 -2.948) 3.152 4.756 ( -1.280 1.413 2.094) 2.832 4.793 ( 1.942 0.417 1.555) 2.523 5.035 ( 1.859 3.642 -0.172) 4.093 5.158 ( 0.531 -1.434 -2.349) 2.803 5.326 ( 1.940 2.696 3.045) 4.506 5.389 ( 0.310 -0.214 2.677) 2.704 6.211 ( -2.160 -1.160 -3.697) 4.436 6.260 ( -3.689 -4.308 -2.278) 6.112 6.676 ( -1.224 0.327 -4.085) 4.277 6.724 ( -0.912 -2.603 -4.509) 5.285 7.048 ( 3.504 3.767 6.885) 8.595 7.124 ( 2.409 1.632 8.916) 9.379 7.508 ( 4.753 3.205 5.760) 8.127 7.590 ( 1.776 -0.664 9.549) 9.736 7.748 ( 1.827 2.457 -7.813) 8.392 7.847 ( -2.795 -2.550 -1.086) 3.936 8.193 ( 5.146 5.888 4.499) 9.021 8.277 ( 2.179 2.214 3.977) 5.047 11.422 ( -0.126 0.280 -2.679) 2.696 11.437 ( -0.618 -0.165 -3.667) 3.722 11.962 ( 7.268 9.251 11.332) 16.334 11.994 ( 6.079 8.490 10.605) 14.883 13.417 ( -1.173 0.891 2.259) 2.697 13.534 ( 3.270 -0.267 -3.584) 4.859 13.713 ( 3.027 10.185 -0.016) 10.625 13.957 ( -4.603 10.640 5.037) 12.640 14.359 ( 1.670 -19.211 -13.732) 23.673 14.568 ( -15.025 -20.792 -2.630) 25.787 14.726 ( -0.601 -0.552 -0.232) 0.849 14.730 ( -0.941 -0.791 -0.606) 1.370 ======================= Grid point 224 (116/160) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -3.507 1.356 5.981) 7.065 1.129 ( 0.075 -2.696 10.267) 10.615 1.205 ( 4.277 2.782 -6.381) 8.170 1.321 ( 0.893 4.601 8.597) 9.791 1.372 ( -2.313 -4.107 -2.192) 5.199 1.437 ( 2.772 0.617 0.786) 2.947 1.507 ( -2.227 2.351 -0.407) 3.263 1.605 ( -4.760 2.637 2.968) 6.199 1.664 ( -2.022 -0.917 -4.680) 5.180 1.778 ( 3.166 -2.292 -3.178) 5.038 1.920 ( -1.547 -2.917 1.382) 3.580 1.969 ( 1.942 -3.505 -0.126) 4.009 2.320 ( -2.563 2.878 -9.102) 9.884 2.388 ( -0.195 1.742 -15.819) 15.916 2.456 ( 2.200 3.712 2.322) 4.900 2.583 ( 2.275 -1.668 -7.719) 8.218 2.777 ( -6.293 -3.454 -2.109) 7.482 2.853 ( 6.113 -7.574 -6.607) 11.764 2.987 ( 2.202 1.893 1.070) 3.094 3.016 ( -4.369 -0.435 0.372) 4.406 3.194 ( -3.057 -8.100 3.947) 9.515 3.248 ( 3.568 -10.501 1.182) 11.154 3.700 ( -4.598 2.645 1.240) 5.447 3.743 ( 1.536 1.047 4.357) 4.737 3.791 ( 3.930 0.209 -3.291) 5.130 3.920 ( -0.969 0.931 -3.125) 3.402 4.034 ( -0.445 -3.816 -4.854) 6.190 4.117 ( 2.941 -5.517 -6.878) 9.295 4.378 ( -1.945 1.678 -0.222) 2.578 4.420 ( 1.377 0.206 -1.948) 2.394 4.758 ( -1.544 1.056 2.369) 3.018 4.817 ( 0.257 -0.956 -0.186) 1.007 5.059 ( 1.072 3.158 0.343) 3.352 5.121 ( -1.261 0.122 -2.855) 3.123 5.376 ( 0.546 1.690 2.333) 2.932 5.408 ( -0.729 0.009 1.388) 1.568 6.159 ( -0.855 -2.223 -1.922) 3.060 6.200 ( 0.998 -4.294 -3.585) 5.682 6.632 ( -0.644 -0.403 -1.451) 1.638 6.681 ( 0.891 -3.095 -3.232) 4.562 7.185 ( 1.944 5.888 8.180) 10.264 7.231 ( -1.077 4.352 8.156) 9.307 7.577 ( -3.087 5.315 -3.366) 7.008 7.633 ( 3.292 4.516 -0.577) 5.618 7.768 ( -5.943 -4.066 2.593) 7.654 7.803 ( 5.914 -5.349 2.570) 8.378 8.293 ( 1.292 5.136 3.722) 6.473 8.317 ( -1.552 3.935 2.585) 4.957 11.387 ( -0.937 0.176 -1.981) 2.199 11.394 ( -0.215 -0.242 -2.275) 2.297 12.152 ( -0.726 13.590 10.362) 17.105 12.168 ( 0.570 13.140 10.183) 16.634 13.406 ( -1.807 1.304 1.268) 2.564 13.537 ( 2.462 0.117 -2.831) 3.754 13.696 ( -3.145 4.600 -0.448) 5.591 13.910 ( 3.495 4.214 -5.519) 7.774 14.297 ( -10.901 -20.099 -1.115) 22.892 14.431 ( 10.127 -17.628 -5.333) 21.018 14.718 ( -0.143 -0.632 -0.277) 0.705 14.722 ( 0.498 -0.868 -0.461) 1.102 ======================= Grid point 225 (117/160) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.335 4.245 4.055) 7.933 1.186 ( 4.164 0.638 0.560) 4.250 1.251 ( 0.651 -7.555 3.374) 8.300 1.297 ( -2.002 -2.251 -1.595) 3.408 1.389 ( -1.692 4.168 -1.753) 4.828 1.498 ( -1.044 1.964 1.803) 2.864 1.525 ( -3.053 5.338 0.862) 6.209 1.572 ( 3.900 2.460 5.440) 7.131 1.655 ( 3.615 -4.795 1.825) 6.276 1.779 ( 1.522 -2.982 -3.486) 4.834 1.909 ( 0.036 -0.311 0.585) 0.663 2.023 ( 3.363 -4.704 0.287) 5.789 2.203 ( 0.641 1.546 -7.332) 7.520 2.271 ( 3.952 -1.416 -7.484) 8.581 2.451 ( -3.172 1.317 -1.342) 3.687 2.532 ( -0.507 1.060 -3.085) 3.301 2.684 ( -0.623 0.259 -0.299) 0.739 2.942 ( 2.030 -2.366 -0.320) 3.134 2.978 ( 4.241 3.019 -2.333) 5.705 3.009 ( -0.043 -0.152 1.257) 1.267 3.140 ( -1.048 -2.627 -0.129) 2.831 3.447 ( 9.217 -11.320 2.775) 14.859 3.632 ( -5.375 4.004 1.122) 6.796 3.754 ( -1.014 -3.664 0.587) 3.846 3.834 ( 3.922 2.549 -3.040) 5.579 3.891 ( 1.772 1.048 -1.098) 2.333 4.030 ( 3.507 -6.338 0.279) 7.249 4.111 ( 5.174 -8.451 -5.526) 11.346 4.371 ( 0.451 2.944 0.833) 3.092 4.440 ( 3.081 -0.036 -1.140) 3.286 4.756 ( -2.436 1.231 2.570) 3.749 4.810 ( -0.087 -1.307 -0.788) 1.529 5.049 ( -2.714 3.141 -1.343) 4.363 5.090 ( 0.459 0.715 0.480) 0.976 5.394 ( -1.501 0.804 0.700) 1.841 5.398 ( -1.066 0.743 0.989) 1.634 6.141 ( 0.982 -1.416 -0.917) 1.952 6.219 ( 4.949 -5.069 -2.078) 7.383 6.622 ( 0.226 -0.573 0.250) 0.664 6.681 ( 2.664 -3.552 -2.055) 4.892 7.203 ( -7.223 7.549 2.881) 10.838 7.297 ( -1.930 4.762 4.780) 7.018 7.477 ( -4.411 4.908 -0.271) 6.604 7.607 ( -0.476 -0.087 -6.382) 6.401 7.743 ( -2.698 0.148 4.446) 5.203 7.923 ( 5.186 -6.352 1.333) 8.308 8.271 ( -5.862 5.304 0.964) 7.964 8.323 ( -2.421 3.265 1.853) 4.467 11.364 ( -0.461 0.303 0.010) 0.552 11.378 ( 0.179 -0.499 -0.564) 0.774 12.148 ( -10.347 14.029 5.199) 18.191 12.186 ( -8.026 11.376 3.661) 14.395 13.407 ( 0.690 2.146 0.338) 2.279 13.594 ( 4.371 1.415 2.099) 5.051 13.721 ( 2.181 -1.607 9.171) 9.563 13.890 ( 7.194 -9.253 -16.653) 20.364 14.126 ( -9.779 -1.553 2.972) 10.338 14.574 ( 12.654 -15.863 -3.656) 20.618 14.718 ( 0.737 -0.521 -0.338) 0.964 14.734 ( 2.017 -2.180 -0.716) 3.055 ======================= Grid point 226 (118/160) ======================= q-point: (-0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -1.886 7.342 4.750) 8.946 1.158 ( -1.731 2.001 -5.269) 5.896 1.285 ( 2.267 -1.569 -0.244) 2.768 1.336 ( -0.800 1.752 6.281) 6.570 1.391 ( 2.085 2.633 -1.887) 3.852 1.453 ( 0.688 -2.517 -3.611) 4.455 1.481 ( -1.544 -3.134 1.051) 3.648 1.666 ( 1.279 -0.064 2.686) 2.976 1.719 ( -1.395 -3.069 0.313) 3.386 1.766 ( 3.174 -6.960 -1.771) 7.852 1.906 ( -0.917 1.582 -1.936) 2.663 2.070 ( 1.910 -6.193 -1.172) 6.586 2.223 ( 3.485 3.180 4.254) 6.352 2.347 ( 5.773 -1.937 5.363) 8.114 2.436 ( 2.778 1.790 0.828) 3.407 2.493 ( 1.028 -0.273 -0.230) 1.088 2.743 ( 4.089 6.466 3.322) 8.340 2.938 ( -0.565 9.391 0.461) 9.420 2.966 ( -1.200 6.107 -1.074) 6.316 3.099 ( 5.156 1.825 0.765) 5.523 3.144 ( 2.676 -3.188 -1.713) 4.501 3.429 ( -8.487 1.331 -0.550) 8.608 3.619 ( -0.671 -1.512 3.618) 3.978 3.769 ( 1.811 -5.157 -4.341) 6.980 3.876 ( 3.908 0.272 -0.134) 3.920 3.927 ( 2.504 1.437 2.099) 3.569 4.138 ( 7.339 -8.414 -0.148) 11.166 4.195 ( 13.383 -16.342 -2.653) 21.289 4.397 ( 1.004 4.009 1.094) 4.275 4.478 ( 2.409 0.255 -0.353) 2.448 4.732 ( -3.417 2.160 1.994) 4.507 4.803 ( 0.528 -1.300 -0.834) 1.632 4.991 ( -3.329 4.556 -0.021) 5.643 5.114 ( 1.049 -0.414 1.266) 1.696 5.348 ( -3.152 1.429 -1.217) 3.668 5.394 ( -1.558 -0.418 1.084) 1.943 6.179 ( 4.036 0.708 0.818) 4.179 6.299 ( 6.560 -5.317 -0.290) 8.449 6.646 ( 1.746 -0.225 1.235) 2.150 6.717 ( 3.838 -3.917 -0.955) 5.566 7.078 ( -8.161 6.786 -1.080) 10.669 7.218 ( -7.670 1.948 -2.742) 8.375 7.433 ( -4.680 3.630 2.705) 6.511 7.559 ( -1.574 -1.412 0.438) 2.159 7.733 ( -0.532 3.862 -1.502) 4.178 7.988 ( 3.605 -6.837 -2.172) 8.029 8.152 ( -9.128 5.564 -0.817) 10.721 8.262 ( -6.633 1.234 0.023) 6.747 11.372 ( 0.314 0.465 1.534) 1.633 11.387 ( 0.577 -0.524 1.032) 1.294 11.973 ( -13.585 9.029 -0.749) 16.329 12.042 ( -9.787 5.106 -2.207) 11.258 13.416 ( -0.512 2.267 0.156) 2.330 13.648 ( -0.884 4.140 1.891) 4.636 13.739 ( -2.620 -13.343 -12.923) 18.759 13.896 ( -5.847 -9.151 12.291) 16.401 14.152 ( 15.786 17.396 0.598) 23.498 14.691 ( 2.472 -2.761 0.280) 3.716 14.737 ( 1.341 -0.613 0.108) 1.478 14.832 ( 15.050 -13.613 -1.451) 20.345 ======================= Grid point 227 (119/160) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 1.022 1.843 -0.979) 2.324 1.073 ( -2.088 3.026 -3.693) 5.211 1.309 ( 0.141 -2.306 -0.638) 2.397 1.343 ( 2.874 1.779 -4.245) 5.427 1.412 ( -3.962 -0.172 1.209) 4.145 1.423 ( 2.751 0.612 2.104) 3.517 1.500 ( 0.987 -1.285 -0.207) 1.633 1.689 ( 0.784 -1.012 1.236) 1.779 1.742 ( 1.699 -3.055 0.397) 3.518 1.777 ( -0.465 0.301 -2.599) 2.658 1.858 ( 0.942 -4.751 -1.125) 4.973 2.022 ( -3.182 -6.457 -3.714) 8.100 2.352 ( 3.434 3.683 6.494) 8.217 2.485 ( 3.489 1.121 5.516) 6.623 2.520 ( 3.885 2.615 2.656) 5.384 2.626 ( 6.878 -0.540 8.320) 10.808 2.851 ( 0.165 6.086 10.034) 11.737 2.903 ( -2.502 10.203 -1.238) 10.578 2.987 ( 2.938 6.944 1.888) 7.773 3.108 ( -3.088 5.432 -0.058) 6.249 3.170 ( -0.225 -0.293 -2.400) 2.428 3.373 ( 3.195 3.235 2.900) 5.392 3.630 ( -2.206 -3.318 0.642) 4.036 3.745 ( 1.689 -2.986 -1.603) 3.786 3.909 ( 1.976 2.192 0.081) 2.952 4.027 ( 4.941 3.920 3.152) 7.051 4.233 ( 5.942 -7.668 -0.528) 9.716 4.397 ( 9.352 -8.911 1.158) 12.970 4.420 ( 0.946 2.236 1.278) 2.744 4.496 ( -0.219 1.816 0.421) 1.877 4.715 ( -0.994 0.566 0.092) 1.147 4.816 ( 3.290 -2.425 -1.413) 4.324 4.939 ( -4.571 2.454 1.723) 5.467 5.150 ( 2.885 -3.837 -0.446) 4.821 5.274 ( -3.725 1.805 -2.145) 4.662 5.373 ( -1.602 -2.771 -0.260) 3.211 6.282 ( 6.490 2.546 2.129) 7.290 6.407 ( 6.230 -4.481 1.041) 7.745 6.699 ( 2.290 0.128 1.871) 2.960 6.764 ( 2.152 -3.594 -0.671) 4.243 6.966 ( -4.171 4.837 0.259) 6.392 7.070 ( -5.266 0.771 -2.491) 5.876 7.388 ( -2.188 1.253 0.087) 2.523 7.518 ( -4.152 -3.343 -0.710) 5.378 7.711 ( 0.711 6.224 -2.614) 6.788 7.967 ( -8.404 1.241 -3.265) 9.101 8.001 ( -0.653 -3.074 -3.138) 4.441 8.119 ( -10.124 -0.631 -1.603) 10.270 11.400 ( 0.435 0.985 1.789) 2.088 11.416 ( 0.936 -0.357 1.780) 2.043 11.742 ( -11.505 5.006 -4.004) 13.170 11.859 ( -7.477 -1.345 -5.560) 9.414 13.390 ( -3.284 0.720 0.689) 3.432 13.541 ( -7.459 -5.861 -5.754) 11.094 13.608 ( -3.517 2.873 -3.408) 5.678 13.836 ( -3.603 -4.392 -4.915) 7.512 14.527 ( 16.739 14.273 13.311) 25.712 14.713 ( 0.631 0.232 0.578) 0.887 14.757 ( 1.158 0.161 0.400) 1.236 15.117 ( 17.818 -12.823 3.145) 22.177 ======================= Grid point 228 (120/160) ======================= q-point: (-0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -3.050 -4.958 -5.740) 8.175 1.025 ( -0.162 -2.161 -3.101) 3.783 1.290 ( -0.409 -1.678 -2.020) 2.658 1.357 ( -0.484 -0.014 1.353) 1.437 1.399 ( 3.083 1.754 -2.646) 4.425 1.485 ( -2.262 0.015 1.050) 2.494 1.505 ( 3.851 5.005 1.609) 6.517 1.638 ( -3.124 2.946 -4.254) 6.044 1.730 ( 0.174 -1.449 -3.815) 4.085 1.796 ( 1.926 -2.214 2.672) 3.969 1.915 ( 2.197 -5.812 0.334) 6.222 1.960 ( 2.037 -7.806 -0.054) 8.068 2.410 ( -0.678 3.271 -1.194) 3.547 2.564 ( 0.600 -2.818 -1.265) 3.147 2.625 ( 1.868 8.154 11.684) 14.370 2.787 ( 1.951 4.365 6.466) 8.042 2.860 ( -0.038 8.907 0.236) 8.911 2.976 ( -1.267 6.239 9.521) 11.453 3.045 ( -1.597 0.085 3.302) 3.669 3.060 ( -0.128 5.843 2.238) 6.258 3.143 ( -0.566 -0.843 -0.338) 1.071 3.500 ( 2.345 2.075 7.568) 8.190 3.578 ( -1.323 2.218 -2.443) 3.555 3.794 ( 4.622 -2.118 0.224) 5.090 3.978 ( 5.864 5.842 1.616) 8.434 4.104 ( 0.741 4.990 2.189) 5.499 4.338 ( 3.383 2.231 4.053) 5.731 4.427 ( -2.511 6.213 3.061) 7.367 4.481 ( 1.373 4.554 0.911) 4.843 4.547 ( 3.620 -1.259 2.869) 4.788 4.679 ( -0.226 -2.042 -1.268) 2.414 4.854 ( -1.469 -3.945 -0.272) 4.219 4.888 ( -0.883 -3.687 -0.274) 3.801 5.167 ( -0.243 0.436 -4.014) 4.045 5.202 ( -0.594 -7.833 -2.209) 8.161 5.348 ( 1.108 -7.963 -3.169) 8.642 6.399 ( 4.872 3.066 1.146) 5.869 6.502 ( 4.064 -3.293 0.699) 5.277 6.724 ( -1.264 -0.828 0.697) 1.664 6.742 ( -2.753 -1.474 -0.979) 3.272 6.960 ( 0.218 3.829 2.358) 4.502 7.080 ( 5.260 0.397 5.421) 7.564 7.372 ( 0.432 -0.890 -3.426) 3.566 7.453 ( 2.116 -3.764 -2.931) 5.219 7.652 ( -6.146 5.167 -4.257) 9.088 7.807 ( -5.430 2.257 -0.271) 5.886 7.911 ( -9.993 -2.283 -4.029) 11.014 7.970 ( -0.487 -4.139 -4.438) 6.088 11.410 ( -0.953 1.903 0.236) 2.142 11.443 ( -0.657 0.057 0.850) 1.076 11.555 ( -5.334 3.044 -3.218) 6.933 11.703 ( -3.330 -5.432 -6.197) 8.888 13.335 ( -4.403 -0.261 0.983) 4.519 13.391 ( -5.046 -2.701 -2.712) 6.333 13.510 ( -2.186 3.588 -4.463) 6.129 13.710 ( -1.608 -4.088 -9.789) 10.729 14.728 ( 0.329 0.486 0.788) 0.983 14.751 ( 0.912 -0.368 0.348) 1.043 14.935 ( 9.848 13.587 15.941) 23.145 15.399 ( 11.496 -9.153 3.275) 15.055 ======================= Grid point 229 (121/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.961 -5.409 -6.380) 8.591 0.786 ( -1.961 5.409 -6.380) 8.591 1.343 ( 1.296 -3.325 0.062) 3.570 1.343 ( 1.296 3.325 0.062) 3.570 1.456 ( -0.883 -2.253 1.495) 2.844 1.456 ( -0.883 2.253 1.495) 2.844 1.567 ( -3.040 -4.708 -2.357) 6.080 1.567 ( -3.040 4.708 -2.357) 6.080 1.729 ( 1.043 -2.321 -4.616) 5.271 1.729 ( 1.043 2.321 -4.616) 5.271 1.974 ( 5.346 -4.178 5.138) 8.511 1.974 ( 5.346 4.178 5.138) 8.511 2.419 ( -3.195 -3.853 -3.830) 6.302 2.419 ( -3.195 3.853 -3.830) 6.302 2.851 ( -1.536 -2.926 6.469) 7.265 2.851 ( -1.536 2.926 6.469) 7.265 2.993 ( 0.500 -3.302 2.051) 3.919 2.993 ( 0.500 3.302 2.051) 3.919 3.096 ( -1.158 -2.484 0.631) 2.812 3.096 ( -1.158 2.484 0.631) 2.812 3.377 ( 1.033 -11.705 6.571) 13.463 3.377 ( 1.033 11.705 6.571) 13.463 3.787 ( 1.262 -6.519 2.157) 6.981 3.787 ( 1.262 6.519 2.157) 6.981 4.199 ( 1.294 -1.083 2.781) 3.253 4.199 ( 1.294 1.083 2.781) 3.253 4.506 ( -2.561 -2.951 3.653) 5.348 4.506 ( -2.561 2.951 3.653) 5.348 4.571 ( -0.717 -2.992 1.442) 3.398 4.571 ( -0.717 2.992 1.442) 3.398 4.714 ( 1.486 -6.744 -0.988) 6.976 4.714 ( 1.486 6.744 -0.988) 6.976 4.918 ( 0.223 -11.971 0.802) 12.000 4.918 ( 0.223 11.971 0.802) 12.000 5.160 ( 0.134 -4.830 -6.960) 8.473 5.160 ( 0.134 4.830 -6.960) 8.473 6.486 ( 0.345 -2.228 -1.110) 2.513 6.486 ( 0.345 2.228 -1.110) 2.513 6.708 ( -0.202 -0.704 1.075) 1.301 6.708 ( -0.202 0.704 1.075) 1.301 7.112 ( -0.916 -5.950 5.514) 8.163 7.112 ( -0.916 5.950 5.514) 8.163 7.432 ( 2.764 -1.941 0.261) 3.387 7.432 ( 2.764 1.941 0.261) 3.387 7.583 ( -1.947 -8.172 -8.776) 12.149 7.583 ( -1.947 8.172 -8.776) 12.149 7.863 ( 0.184 -2.520 -1.261) 2.824 7.863 ( 0.184 2.520 -1.261) 2.824 11.399 ( -2.089 -0.584 -1.540) 2.661 11.399 ( -2.089 0.584 -1.540) 2.661 11.562 ( 1.283 -2.317 -1.549) 3.069 11.562 ( 1.283 2.317 -1.549) 3.069 13.306 ( 0.492 -1.067 -0.479) 1.269 13.306 ( 0.492 1.067 -0.479) 1.269 13.513 ( -0.421 -3.569 -5.551) 6.612 13.513 ( -0.421 3.569 -5.551) 6.612 14.747 ( 0.004 -0.476 0.195) 0.514 14.747 ( 0.004 0.476 0.195) 0.514 15.383 ( 0.390 -8.292 7.026) 10.876 15.383 ( 0.390 8.292 7.026) 10.876 ======================= Grid point 231 (122/160) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.470 -2.807 -1.172) 3.078 0.729 ( 0.470 2.807 -1.172) 3.078 1.340 ( -2.704 -2.162 -1.227) 3.673 1.340 ( -2.704 2.162 -1.227) 3.673 1.451 ( 0.064 -0.247 2.073) 2.089 1.451 ( 0.064 0.247 2.073) 2.089 1.532 ( -0.901 -3.557 1.725) 4.054 1.532 ( -0.901 3.557 1.725) 4.054 1.725 ( 3.766 -2.532 -3.051) 5.469 1.725 ( 3.766 2.532 -3.051) 5.469 2.014 ( -3.265 -0.952 -3.053) 4.570 2.014 ( -3.265 0.952 -3.053) 4.570 2.378 ( 1.039 -1.042 1.463) 2.075 2.378 ( 1.039 1.042 1.463) 2.075 2.856 ( -3.056 -0.838 2.812) 4.236 2.856 ( -3.056 0.838 2.812) 4.236 3.020 ( 0.278 -1.991 1.021) 2.254 3.020 ( 0.278 1.991 1.021) 2.254 3.091 ( -0.391 -1.971 0.590) 2.094 3.091 ( -0.391 1.971 0.590) 2.094 3.495 ( 5.452 -6.893 4.383) 9.821 3.495 ( 5.452 6.893 4.383) 9.821 3.762 ( -6.154 -8.039 -1.085) 10.183 3.762 ( -6.154 8.039 -1.085) 10.183 4.166 ( -7.478 -3.648 -0.000) 8.321 4.166 ( -7.478 3.648 -0.000) 8.321 4.460 ( -8.063 -2.305 2.151) 8.657 4.460 ( -8.063 2.305 2.151) 8.657 4.561 ( -0.941 -4.737 4.685) 6.729 4.561 ( -0.941 4.737 4.685) 6.729 4.711 ( 0.295 -5.600 -2.041) 5.968 4.711 ( 0.295 5.600 -2.041) 5.968 5.021 ( 6.164 -6.552 3.488) 9.648 5.021 ( 6.164 6.552 3.488) 9.648 5.097 ( 3.138 -4.753 -7.391) 9.331 5.097 ( 3.138 4.753 -7.391) 9.331 6.455 ( -3.070 -1.816 -0.032) 3.567 6.455 ( -3.070 1.816 -0.032) 3.567 6.730 ( 1.413 -1.539 0.728) 2.213 6.730 ( 1.413 1.539 0.728) 2.213 7.155 ( -2.525 -3.927 6.458) 7.969 7.155 ( -2.525 3.927 6.458) 7.969 7.296 ( -6.073 -4.339 -7.977) 10.924 7.296 ( -6.073 4.339 -7.977) 10.924 7.679 ( 12.079 -4.624 -0.670) 12.951 7.679 ( 12.079 4.624 -0.670) 12.951 7.876 ( 3.247 -0.662 -0.937) 3.444 7.876 ( 3.247 0.662 -0.937) 3.444 11.388 ( 1.302 -0.992 1.175) 2.015 11.388 ( 1.302 0.992 1.175) 2.015 11.577 ( 2.807 -2.105 -2.055) 4.066 11.577 ( 2.807 2.105 -2.055) 4.066 13.352 ( 5.531 -2.227 -1.003) 6.046 13.352 ( 5.531 2.227 -1.003) 6.046 13.482 ( 2.061 -2.067 -1.407) 3.240 13.482 ( 2.061 2.067 -1.407) 3.240 14.745 ( -0.441 -0.338 0.094) 0.564 14.745 ( -0.441 0.338 0.094) 0.564 15.350 ( -11.368 -3.581 2.680) 12.216 15.350 ( -11.368 3.581 2.680) 12.216 ======================= Grid point 233 (123/160) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 3.174 -4.187 3.545) 6.338 0.775 ( 3.174 4.187 3.545) 6.338 1.252 ( -5.568 -3.290 -0.561) 6.492 1.252 ( -5.568 3.290 -0.561) 6.492 1.491 ( 0.128 -2.298 2.479) 3.382 1.491 ( 0.128 2.298 2.479) 3.382 1.575 ( 3.301 -1.351 2.412) 4.306 1.575 ( 3.301 1.351 2.412) 4.306 1.755 ( 1.949 -2.861 -1.705) 3.859 1.755 ( 1.949 2.861 -1.705) 3.859 1.881 ( -4.136 -0.923 -5.098) 6.629 1.881 ( -4.136 0.923 -5.098) 6.629 2.429 ( 0.590 -3.067 2.813) 4.203 2.429 ( 0.590 3.067 2.813) 4.203 2.838 ( -2.012 -0.684 0.071) 2.126 2.838 ( -2.012 0.684 0.071) 2.126 3.022 ( 0.073 -4.531 -0.328) 4.544 3.022 ( 0.073 4.531 -0.328) 4.544 3.090 ( -1.071 -1.660 1.298) 2.364 3.090 ( -1.071 1.660 1.298) 2.364 3.565 ( -9.923 -11.457 -6.862) 16.638 3.565 ( -9.923 11.457 -6.862) 16.638 3.612 ( 0.868 -7.380 2.724) 7.914 3.612 ( 0.868 7.380 2.724) 7.914 4.018 ( -8.426 -5.227 -1.041) 9.970 4.018 ( -8.426 5.227 -1.041) 9.970 4.354 ( -6.050 -2.286 -0.460) 6.484 4.354 ( -6.050 2.286 -0.460) 6.484 4.572 ( -1.366 -3.259 -2.038) 4.079 4.572 ( -1.366 3.259 -2.038) 4.079 4.720 ( 0.936 -2.115 2.318) 3.275 4.720 ( 0.936 2.115 2.318) 3.275 5.045 ( 2.311 -5.568 -3.166) 6.810 5.045 ( 2.311 5.568 -3.166) 6.810 5.196 ( 6.577 -1.788 3.302) 7.573 5.196 ( 6.577 1.788 3.302) 7.573 6.392 ( -4.825 -0.637 -0.105) 4.868 6.392 ( -4.825 0.637 -0.105) 4.868 6.770 ( 2.916 -1.610 0.182) 3.335 6.770 ( 2.916 1.610 0.182) 3.335 7.052 ( -8.644 -0.169 -2.622) 9.035 7.052 ( -8.644 0.169 -2.622) 9.035 7.282 ( 4.547 -2.743 2.775) 5.992 7.282 ( 4.547 2.743 2.775) 5.992 7.821 ( 5.435 -1.220 -0.750) 5.620 7.821 ( 5.435 1.220 -0.750) 5.620 7.966 ( 8.366 -2.455 1.452) 8.839 7.966 ( 8.366 2.455 1.452) 8.839 11.447 ( 2.293 -1.436 1.842) 3.273 11.447 ( 2.293 1.436 1.842) 3.273 11.624 ( 5.934 -1.925 0.383) 6.250 11.624 ( 5.934 1.925 0.383) 6.250 13.410 ( 3.818 -4.051 -2.040) 5.928 13.410 ( 3.818 4.051 -2.040) 5.928 13.581 ( 8.830 -5.124 3.018) 10.646 13.581 ( 8.830 5.124 3.018) 10.646 14.734 ( -1.007 -0.555 -0.109) 1.155 14.734 ( -1.007 0.555 -0.109) 1.155 15.098 ( -20.027 -2.593 -2.248) 20.318 15.098 ( -20.027 2.593 -2.248) 20.318 ======================= Grid point 235 (124/160) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 2.569 -5.548 5.946) 8.529 0.880 ( 2.569 5.548 5.946) 8.529 1.194 ( -2.985 -1.228 3.966) 5.113 1.194 ( -2.985 1.228 3.966) 5.113 1.505 ( 1.293 -4.055 -2.121) 4.756 1.505 ( 1.293 4.055 -2.121) 4.756 1.629 ( -2.520 -2.575 1.046) 3.752 1.629 ( -2.520 2.575 1.046) 3.752 1.711 ( 1.705 -3.269 -4.761) 6.021 1.711 ( 1.705 3.269 -4.761) 6.021 1.864 ( 1.746 -3.830 2.317) 4.805 1.864 ( 1.746 3.830 2.317) 4.805 2.445 ( -0.461 -3.018 0.611) 3.113 2.445 ( -0.461 3.018 0.611) 3.113 2.760 ( -3.655 -2.016 -6.433) 7.669 2.760 ( -3.655 2.016 -6.433) 7.669 3.017 ( -1.851 -5.702 1.108) 6.097 3.017 ( -1.851 5.702 1.108) 6.097 3.085 ( -3.090 -3.287 2.467) 5.142 3.085 ( -3.090 3.287 2.467) 5.142 3.283 ( -12.402 -5.257 -7.988) 15.661 3.283 ( -12.402 5.257 -7.988) 15.661 3.639 ( 0.118 -3.796 1.361) 4.035 3.639 ( 0.118 3.796 1.361) 4.035 3.923 ( -2.308 -1.986 -1.181) 3.266 3.923 ( -2.308 1.986 -1.181) 3.266 4.246 ( -2.837 -2.121 -6.949) 7.800 4.246 ( -2.837 2.121 -6.949) 7.800 4.501 ( -2.122 -1.030 -3.645) 4.342 4.501 ( -2.122 1.030 -3.645) 4.342 4.761 ( 0.358 -0.570 2.492) 2.581 4.761 ( 0.358 0.570 2.492) 2.581 5.074 ( 3.136 -4.990 -0.453) 5.911 5.074 ( 3.136 4.990 -0.453) 5.911 5.311 ( 3.206 -2.201 3.192) 5.031 5.311 ( 3.206 2.201 3.192) 5.031 6.302 ( -4.991 -0.653 -1.900) 5.380 6.302 ( -4.991 0.653 -1.900) 5.380 6.772 ( -0.510 -1.131 -5.668) 5.803 6.772 ( -0.510 1.131 -5.668) 5.803 6.986 ( 0.259 -1.540 5.596) 5.810 6.986 ( 0.259 1.540 5.596) 5.810 7.409 ( 4.005 -2.253 7.287) 8.615 7.409 ( 4.005 2.253 7.287) 8.615 7.847 ( 1.958 -1.723 -4.153) 4.904 7.847 ( 1.958 1.723 -4.153) 4.904 8.133 ( 7.542 -3.381 4.265) 9.301 8.133 ( 7.542 3.381 4.265) 9.301 11.463 ( 0.462 -0.876 -2.263) 2.470 11.463 ( 0.462 0.876 -2.263) 2.470 11.802 ( 9.792 -1.304 8.122) 12.789 11.802 ( 9.792 1.304 8.122) 12.789 13.446 ( 3.535 -4.058 -1.877) 5.700 13.446 ( 3.535 4.058 -1.877) 5.700 13.779 ( 10.424 -7.289 3.828) 13.283 13.779 ( 10.424 7.289 3.828) 13.283 14.650 ( -17.272 -4.635 -4.667) 18.482 14.650 ( -17.272 4.635 -4.667) 18.482 14.762 ( -7.617 -1.958 -1.866) 8.083 14.762 ( -7.617 1.958 -1.866) 8.083 ======================= Grid point 237 (125/160) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.735 -0.673 7.197) 7.265 0.978 ( 0.735 0.673 7.197) 7.265 1.250 ( 0.625 -1.124 8.012) 8.115 1.250 ( 0.625 1.124 8.012) 8.115 1.443 ( -2.146 -3.038 -8.491) 9.270 1.443 ( -2.146 3.038 -8.491) 9.270 1.575 ( -1.711 -3.656 0.862) 4.127 1.575 ( -1.711 3.656 0.862) 4.127 1.734 ( 3.570 -0.215 -2.574) 4.406 1.734 ( 3.570 0.215 -2.574) 4.406 1.902 ( -1.086 -3.836 2.016) 4.468 1.902 ( -1.086 3.836 2.016) 4.468 2.465 ( 3.480 -3.332 0.144) 4.820 2.465 ( 3.480 3.332 0.144) 4.820 2.591 ( -4.162 -3.640 -12.226) 13.419 2.591 ( -4.162 3.640 -12.226) 13.419 2.927 ( -8.775 -3.376 -7.178) 11.829 2.927 ( -8.775 3.376 -7.178) 11.829 3.020 ( -3.483 -5.908 2.390) 7.263 3.020 ( -3.483 5.908 2.390) 7.263 3.115 ( -4.059 -7.740 1.266) 8.831 3.115 ( -4.059 7.740 1.266) 8.831 3.684 ( 2.308 -1.676 2.590) 3.852 3.684 ( 2.308 1.676 2.590) 3.852 3.888 ( -0.543 -4.478 -1.738) 4.834 3.888 ( -0.543 4.478 -1.738) 4.834 4.123 ( -0.241 -1.501 -9.694) 9.813 4.123 ( -0.241 1.501 -9.694) 9.813 4.442 ( -1.717 -0.519 -1.706) 2.476 4.442 ( -1.717 0.519 -1.706) 2.476 4.783 ( -0.110 -1.254 1.156) 1.709 4.783 ( -0.110 1.254 1.156) 1.709 5.108 ( 1.613 -3.519 -0.747) 3.943 5.108 ( 1.613 3.519 -0.747) 3.943 5.372 ( 0.925 -1.737 2.446) 3.139 5.372 ( 0.925 1.737 2.446) 3.139 6.207 ( -3.046 -1.085 -3.250) 4.585 6.207 ( -3.046 1.085 -3.250) 4.585 6.689 ( -1.137 -1.117 -4.818) 5.075 6.689 ( -1.137 1.117 -4.818) 5.075 7.115 ( 3.468 -2.441 9.442) 10.351 7.115 ( 3.468 2.441 9.442) 10.351 7.560 ( 3.364 -2.202 9.064) 9.916 7.560 ( 3.364 2.202 9.064) 9.916 7.797 ( -0.640 -2.514 -6.581) 7.073 7.797 ( -0.640 2.514 -6.581) 7.073 8.276 ( 4.048 -2.351 4.448) 6.458 8.276 ( 4.048 2.351 4.448) 6.458 11.430 ( -0.360 -0.459 -3.230) 3.282 11.430 ( -0.360 0.459 -3.230) 3.282 12.075 ( 8.765 -1.126 13.069) 15.776 12.075 ( 8.765 1.126 13.069) 15.776 13.472 ( 2.936 -4.512 -3.078) 6.201 13.472 ( 2.936 4.512 -3.078) 6.201 13.957 ( 7.595 -13.921 -0.840) 15.880 13.957 ( 7.595 13.921 -0.840) 15.880 14.243 ( -19.175 -11.797 -4.605) 22.980 14.243 ( -19.175 11.797 -4.605) 22.980 14.722 ( -0.716 -0.125 -0.363) 0.813 14.722 ( -0.716 0.125 -0.363) 0.813 ======================= Grid point 239 (126/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -2.177 -4.798 6.100) 8.060 1.044 ( -2.177 4.798 6.100) 8.060 1.281 ( -0.137 -4.732 -5.795) 7.483 1.281 ( -0.137 4.732 -5.795) 7.483 1.417 ( 2.702 -3.660 7.790) 9.021 1.417 ( 2.702 3.660 7.790) 9.021 1.560 ( -1.668 -3.213 -0.051) 3.620 1.560 ( -1.668 3.213 -0.051) 3.620 1.730 ( -1.908 -3.363 -1.076) 4.014 1.730 ( -1.908 3.363 -1.076) 4.014 1.902 ( 1.480 -2.139 -0.241) 2.612 1.902 ( 1.480 2.139 -0.241) 2.612 2.380 ( -2.431 -2.516 -14.835) 15.242 2.380 ( -2.431 2.516 -14.835) 15.242 2.542 ( 3.641 -3.470 -0.463) 5.051 2.542 ( 3.641 3.470 -0.463) 5.051 2.742 ( -2.061 -1.998 -5.929) 6.587 2.742 ( -2.061 1.998 -5.929) 6.587 3.020 ( -0.658 -1.249 3.320) 3.608 3.020 ( -0.658 1.249 3.320) 3.608 3.105 ( 1.174 -1.964 0.765) 2.412 3.105 ( 1.174 1.964 0.765) 2.412 3.722 ( -1.580 -1.013 1.796) 2.598 3.722 ( -1.580 1.013 1.796) 2.598 3.884 ( 1.846 -5.149 -0.150) 5.472 3.884 ( 1.846 5.149 -0.150) 5.472 4.035 ( 0.828 -3.332 -7.551) 8.295 4.035 ( 0.828 3.332 -7.551) 8.295 4.410 ( -0.119 -1.271 -1.095) 1.682 4.410 ( -0.119 1.271 -1.095) 1.682 4.785 ( -0.613 -1.838 0.502) 2.001 4.785 ( -0.613 1.838 0.502) 2.001 5.108 ( -0.008 -1.630 -1.148) 1.993 5.108 ( -0.008 1.630 -1.148) 1.993 5.401 ( -0.248 -0.843 1.927) 2.118 5.401 ( -0.248 0.843 1.927) 2.118 6.146 ( 0.036 -1.079 -3.013) 3.200 6.146 ( 0.036 1.079 -3.013) 3.200 6.640 ( 0.046 -1.239 -2.626) 2.905 6.640 ( 0.046 1.239 -2.626) 2.905 7.263 ( 0.669 -1.483 9.941) 10.074 7.263 ( 0.669 1.483 9.941) 10.074 7.677 ( -3.730 -5.160 -1.258) 6.490 7.677 ( -3.730 5.160 -1.258) 6.490 7.712 ( 3.744 -3.946 0.629) 5.476 7.712 ( 3.744 3.946 0.629) 5.476 8.350 ( -0.154 -0.630 3.273) 3.336 8.350 ( -0.154 0.630 3.273) 3.336 11.391 ( -0.560 -0.190 -2.212) 2.289 11.391 ( -0.560 0.190 -2.212) 2.289 12.310 ( -0.230 -0.695 13.931) 13.950 12.310 ( -0.230 0.695 13.931) 13.950 13.468 ( 2.557 -5.305 -4.330) 7.310 13.468 ( 2.557 5.305 -4.330) 7.310 13.835 ( -6.475 -9.513 -9.680) 15.038 13.835 ( -6.475 9.513 -9.680) 15.038 14.181 ( 4.343 -7.117 3.313) 8.972 14.181 ( 4.343 7.117 3.313) 8.972 14.713 ( 0.035 -0.129 -0.327) 0.354 14.713 ( 0.035 0.129 -0.327) 0.354 ======================= Grid point 241 (127/160) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.934 -8.073 6.500) 10.406 1.082 ( -0.934 8.073 6.500) 10.406 1.235 ( 2.565 -2.935 -4.731) 6.130 1.235 ( 2.565 2.935 -4.731) 6.130 1.488 ( -4.657 -4.018 1.999) 6.468 1.488 ( -4.657 4.018 1.999) 6.468 1.579 ( 4.492 -1.239 1.288) 4.834 1.579 ( 4.492 1.239 1.288) 4.834 1.674 ( -4.884 -6.819 2.533) 8.762 1.674 ( -4.884 6.819 2.533) 8.762 1.943 ( 3.790 -3.419 -1.094) 5.220 1.943 ( 3.790 3.419 -1.094) 5.220 2.237 ( 2.305 -1.847 -8.305) 8.814 2.237 ( 2.305 1.847 -8.305) 8.814 2.503 ( -3.561 -3.288 -1.883) 5.200 2.503 ( -3.561 3.288 -1.883) 5.200 2.784 ( 8.866 -8.865 -1.046) 12.581 2.784 ( 8.866 8.865 -1.046) 12.581 3.052 ( 0.725 -1.886 0.552) 2.095 3.052 ( 0.725 1.886 0.552) 2.095 3.183 ( 7.492 -11.524 1.033) 13.784 3.183 ( 7.492 11.524 1.033) 13.784 3.690 ( -3.806 -2.458 1.094) 4.661 3.690 ( -3.806 2.458 1.094) 4.661 3.916 ( 1.404 -2.886 -0.171) 3.214 3.916 ( 1.404 2.886 -0.171) 3.214 3.982 ( 1.967 -4.260 -4.490) 6.495 3.982 ( 1.967 4.260 -4.490) 6.495 4.422 ( 2.318 -1.955 -0.219) 3.040 4.422 ( 2.318 1.955 -0.219) 3.040 4.779 ( -0.866 -1.489 0.599) 1.823 4.779 ( -0.866 1.489 0.599) 1.823 5.091 ( -0.876 -1.028 -0.409) 1.411 5.091 ( -0.876 1.028 -0.409) 1.411 5.404 ( -1.448 -0.162 1.024) 1.781 5.404 ( -1.448 0.162 1.024) 1.781 6.147 ( 3.309 -2.121 -1.536) 4.220 6.147 ( 3.309 2.121 -1.536) 4.220 6.632 ( 1.386 -1.525 -0.963) 2.275 6.632 ( 1.386 1.525 -0.963) 2.275 7.315 ( -6.206 -3.125 5.128) 8.636 7.315 ( -6.206 3.125 5.128) 8.636 7.562 ( -3.204 -3.728 -3.469) 6.016 7.562 ( -3.204 3.728 -3.469) 6.016 7.803 ( 3.184 -5.429 1.774) 6.539 7.803 ( 3.184 5.429 1.774) 6.539 8.340 ( -4.549 -1.490 1.479) 5.011 8.340 ( -4.549 1.490 1.479) 5.011 11.370 ( -0.134 -0.361 -0.319) 0.500 11.370 ( -0.134 0.361 -0.319) 0.500 12.311 ( -13.527 -0.736 5.964) 14.802 12.311 ( -13.527 0.736 5.964) 14.802 13.506 ( 5.707 -8.800 -1.885) 10.657 13.506 ( 5.707 8.800 -1.885) 10.657 13.714 ( -1.395 -2.935 -0.675) 3.319 13.714 ( -1.395 2.935 -0.675) 3.319 14.292 ( 9.448 -12.640 -2.186) 15.931 14.292 ( 9.448 12.640 -2.186) 15.931 14.716 ( 0.757 -0.331 -0.209) 0.852 14.716 ( 0.757 0.331 -0.209) 0.852 ======================= Grid point 243 (128/160) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -1.614 -7.315 -0.363) 7.500 1.098 ( -1.614 7.315 -0.363) 7.500 1.299 ( 4.512 -3.640 2.504) 6.315 1.299 ( 4.512 3.640 2.504) 6.315 1.425 ( -3.323 -1.423 -1.314) 3.847 1.425 ( -3.323 1.423 -1.314) 3.847 1.572 ( 0.668 -9.549 -2.604) 9.920 1.572 ( 0.668 9.549 -2.604) 9.920 1.686 ( 0.038 -1.037 2.835) 3.019 1.686 ( 0.037 1.037 2.835) 3.019 1.966 ( 0.544 -4.351 -2.273) 4.939 1.966 ( 0.544 4.351 -2.273) 4.939 2.288 ( 4.663 -3.535 5.431) 7.984 2.288 ( 4.663 3.535 5.431) 7.984 2.471 ( 1.415 -1.724 1.166) 2.517 2.471 ( 1.415 1.724 1.166) 2.517 2.921 ( 6.256 -9.662 1.960) 11.676 2.921 ( 6.256 9.662 1.960) 11.676 3.060 ( 1.540 -4.162 -0.846) 4.517 3.060 ( 1.540 4.162 -0.846) 4.517 3.299 ( 4.652 -13.847 -1.026) 14.643 3.299 ( 4.652 13.847 -1.026) 14.643 3.645 ( -1.700 -4.528 0.147) 4.839 3.645 ( -1.700 4.528 0.147) 4.839 3.939 ( 4.505 -3.944 -1.863) 6.270 3.939 ( 4.505 3.944 -1.863) 6.270 4.022 ( 5.379 -1.514 0.955) 5.670 4.022 ( 5.379 1.514 0.955) 5.670 4.461 ( 2.248 -2.235 0.157) 3.174 4.461 ( 2.248 2.235 0.157) 3.174 4.771 ( -1.042 -1.873 0.751) 2.271 4.771 ( -1.042 1.873 0.751) 2.271 5.074 ( -1.320 -3.556 0.187) 3.798 5.074 ( -1.320 3.556 0.187) 3.798 5.377 ( -2.732 -1.328 0.070) 3.039 5.377 ( -2.732 1.328 0.070) 3.039 6.215 ( 6.129 -3.144 0.295) 6.895 6.215 ( 6.129 3.144 0.295) 6.895 6.661 ( 2.758 -1.820 0.296) 3.317 6.661 ( 2.758 1.820 0.296) 3.317 7.192 ( -9.171 -4.330 -2.044) 10.345 7.192 ( -9.171 4.330 -2.044) 10.345 7.505 ( -4.143 -3.719 1.422) 5.746 7.505 ( -4.143 3.719 1.422) 5.746 7.848 ( 2.621 -7.209 -1.831) 7.886 7.848 ( 2.621 7.209 -1.831) 7.886 8.241 ( -8.588 -3.153 -0.364) 9.156 8.241 ( -8.588 3.153 -0.364) 9.156 11.379 ( 0.515 -0.348 1.306) 1.447 11.379 ( 0.515 0.348 1.306) 1.447 12.085 ( -15.769 -1.683 -1.744) 15.954 12.085 ( -15.769 1.683 -1.744) 15.954 13.508 ( -0.869 -8.360 -4.162) 9.379 13.508 ( -0.869 8.360 -4.162) 9.379 13.751 ( -1.568 -6.186 5.613) 8.499 13.751 ( -1.568 6.186 5.613) 8.499 14.478 ( 17.426 -15.847 -0.744) 23.566 14.478 ( 17.426 15.847 -0.744) 23.566 14.733 ( 1.730 -0.419 -0.045) 1.781 14.733 ( 1.730 0.419 -0.045) 1.781 ======================= Grid point 245 (129/160) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.215 -4.846 -6.949) 8.559 1.040 ( -1.215 4.846 -6.949) 8.559 1.346 ( -0.723 -4.210 -1.903) 4.676 1.346 ( -0.723 4.210 -1.903) 4.676 1.372 ( 1.243 -2.658 1.689) 3.386 1.372 ( 1.243 2.658 1.689) 3.386 1.618 ( 2.158 -7.167 1.333) 7.603 1.618 ( 2.158 7.167 1.333) 7.603 1.726 ( 3.312 -1.942 1.325) 4.062 1.726 ( 3.312 1.942 1.325) 4.062 1.900 ( -3.883 -5.721 -3.923) 7.950 1.900 ( -3.883 5.721 -3.923) 7.950 2.432 ( 3.226 -4.358 6.461) 8.435 2.432 ( 3.226 4.358 6.461) 8.435 2.581 ( 4.702 -2.880 8.182) 9.866 2.581 ( 4.702 2.880 8.182) 9.866 2.981 ( -1.823 -2.911 3.688) 5.039 2.981 ( -1.823 2.911 3.688) 5.039 3.094 ( 1.753 -3.650 -0.345) 4.064 3.094 ( 1.753 3.650 -0.345) 4.064 3.306 ( 0.364 -9.566 -1.125) 9.638 3.306 ( 0.364 9.566 -1.125) 9.638 3.656 ( 2.050 -5.598 0.791) 6.014 3.656 ( 2.050 5.598 0.791) 6.014 4.012 ( 6.787 -7.884 -1.704) 10.542 4.012 ( 6.787 7.884 -1.704) 10.542 4.181 ( 10.898 -7.365 3.984) 13.743 4.181 ( 10.898 7.365 3.984) 13.743 4.490 ( 0.922 -2.509 0.709) 2.766 4.490 ( 0.922 2.509 0.709) 2.766 4.766 ( -0.476 -3.180 0.270) 3.226 4.766 ( -0.476 3.180 0.270) 3.226 5.040 ( -2.998 -6.619 -0.634) 7.294 5.040 ( -2.998 6.619 -0.634) 7.294 5.321 ( -3.635 -2.723 -1.168) 4.690 5.321 ( -3.635 2.723 -1.168) 4.690 6.335 ( 7.386 -3.073 1.182) 8.087 6.335 ( 7.386 3.073 1.182) 8.087 6.714 ( 2.330 -1.576 0.799) 2.924 6.714 ( 2.330 1.576 0.799) 2.924 7.047 ( -5.232 -3.027 -1.005) 6.128 7.047 ( -5.232 3.027 -1.005) 6.128 7.441 ( -4.408 -3.968 -0.452) 5.948 7.441 ( -4.408 3.968 -0.452) 5.948 7.849 ( 1.162 -7.506 -3.560) 8.388 7.849 ( 1.162 7.506 -3.560) 8.388 8.071 ( -11.081 -4.014 -1.669) 11.903 8.071 ( -11.081 4.014 -1.669) 11.903 11.410 ( 0.953 -0.283 1.844) 2.095 11.410 ( 0.953 0.283 1.844) 2.095 11.822 ( -12.120 -2.941 -4.979) 13.428 11.822 ( -12.120 2.941 -4.979) 13.428 13.428 ( -4.133 -3.899 -2.186) 6.088 13.428 ( -4.133 3.899 -2.186) 6.088 13.718 ( -4.070 -6.624 -2.547) 8.181 13.718 ( -4.070 6.624 -2.547) 8.181 14.712 ( 3.611 -1.395 1.294) 4.082 14.712 ( 3.611 1.395 1.294) 4.082 14.860 ( 16.669 -12.945 5.541) 21.820 14.860 ( 16.669 12.945 5.541) 21.820 ======================= Grid point 247 (130/160) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -2.517 -5.237 -9.228) 10.905 0.913 ( -2.517 5.237 -9.228) 10.905 1.328 ( 1.555 -3.232 -1.844) 4.033 1.328 ( 1.555 3.232 -1.844) 4.033 1.432 ( 0.859 -2.821 3.062) 4.252 1.432 ( 0.859 2.821 3.062) 4.252 1.631 ( -0.427 -3.723 -1.751) 4.136 1.631 ( -0.427 3.723 -1.751) 4.136 1.778 ( -0.243 -3.330 -3.307) 4.700 1.778 ( -0.243 3.330 -3.307) 4.700 1.835 ( 2.773 -1.810 3.001) 4.469 1.835 ( 2.773 1.810 3.001) 4.469 2.487 ( -0.442 -4.406 -0.974) 4.534 2.487 ( -0.442 4.406 -0.974) 4.534 2.750 ( 1.978 -5.149 10.744) 12.077 2.750 ( 1.978 5.149 10.744) 12.077 2.977 ( -2.481 -3.696 3.080) 5.413 2.977 ( -2.481 3.696 3.080) 5.413 3.100 ( 0.187 -2.634 0.100) 2.643 3.100 ( 0.187 2.634 0.100) 2.643 3.321 ( -1.272 -14.387 4.613) 15.162 3.321 ( -1.272 14.387 4.613) 15.162 3.717 ( 3.653 -6.113 1.722) 7.326 3.717 ( 3.653 6.113 1.722) 7.326 4.111 ( 5.672 -5.722 1.365) 8.172 4.111 ( 5.672 5.722 1.365) 8.172 4.412 ( 11.003 -7.344 4.042) 13.832 4.412 ( 11.003 7.344 4.042) 13.832 4.512 ( 0.724 -2.601 1.362) 3.024 4.512 ( 0.724 2.601 1.362) 3.024 4.747 ( -1.897 -5.912 -1.055) 6.298 4.747 ( -1.897 5.912 -1.055) 6.298 4.969 ( -4.445 -10.623 -0.816) 11.544 4.969 ( -4.445 10.623 -0.816) 11.544 5.241 ( -2.688 -4.098 -3.900) 6.263 5.241 ( -2.688 4.098 -3.900) 6.263 6.448 ( 5.327 -2.383 0.052) 5.836 6.448 ( 5.327 2.383 0.052) 5.836 6.721 ( -1.638 -0.483 0.070) 1.709 6.721 ( -1.638 0.483 0.070) 1.709 7.045 ( 1.360 -3.753 4.558) 6.059 7.045 ( 1.360 3.753 4.558) 6.059 7.385 ( 0.851 -2.482 -2.570) 3.673 7.385 ( 0.851 2.482 -2.570) 3.673 7.773 ( -6.227 -6.067 -5.810) 10.456 7.773 ( -6.227 6.067 -5.810) 10.456 7.905 ( -5.089 -2.681 -1.378) 5.915 7.905 ( -5.089 2.681 -1.378) 5.915 11.436 ( -0.204 -0.824 0.534) 1.003 11.436 ( -0.204 0.824 0.534) 1.003 11.619 ( -5.810 -3.585 -4.478) 8.164 11.619 ( -5.810 3.585 -4.478) 8.164 13.344 ( -3.978 -1.490 -0.692) 4.304 13.344 ( -3.978 1.490 -0.692) 4.304 13.607 ( -2.421 -5.721 -6.831) 9.233 13.607 ( -2.421 5.721 -6.831) 9.233 14.740 ( 0.559 -0.656 0.317) 0.919 14.740 ( 0.559 0.656 0.317) 0.919 15.192 ( 11.812 -12.224 9.028) 19.247 15.192 ( 11.812 12.224 9.028) 19.247 ======================= Grid point 279 (131/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.437 0.000 -13.329) 13.336 0.921 ( -0.437 0.000 13.329) 13.336 1.055 ( -3.758 0.000 -15.399) 15.851 1.055 ( 3.758 0.000 15.399) 15.851 1.439 ( -0.236 0.000 -1.283) 1.304 1.439 ( 0.236 0.000 1.283) 1.304 1.736 ( -4.023 0.000 -0.730) 4.089 1.736 ( 4.023 0.000 0.730) 4.089 1.848 ( 1.500 0.000 -10.161) 10.271 1.848 ( -1.500 0.000 10.161) 10.271 2.263 ( 0.259 0.000 -6.036) 6.041 2.263 ( -0.259 0.000 6.036) 6.041 2.312 ( -1.764 0.000 -0.104) 1.767 2.312 ( 1.764 0.000 0.104) 1.767 2.558 ( -3.011 0.000 -4.243) 5.203 2.558 ( 3.011 0.000 4.243) 5.203 2.663 ( -8.741 0.000 0.610) 8.762 2.663 ( 8.741 0.000 -0.610) 8.762 2.839 ( -0.064 0.000 -1.697) 1.699 2.839 ( 0.064 0.000 1.697) 1.699 3.354 ( -2.341 0.000 -8.274) 8.599 3.354 ( 2.341 0.000 8.274) 8.599 3.771 ( 2.125 0.000 -2.131) 3.010 3.771 ( -2.125 0.000 2.131) 3.010 3.906 ( -0.920 0.000 -3.977) 4.082 3.906 ( 0.920 0.000 3.977) 4.082 4.092 ( -1.155 0.000 -1.811) 2.148 4.092 ( 1.155 0.000 1.811) 2.148 4.638 ( -2.923 0.000 -3.588) 4.628 4.638 ( 2.923 0.000 3.588) 4.628 4.952 ( 1.459 0.000 -2.775) 3.135 4.952 ( -1.459 0.000 2.775) 3.135 5.036 ( 5.017 0.000 -12.419) 13.394 5.036 ( -5.017 0.000 12.419) 13.394 5.286 ( -0.934 0.000 -8.024) 8.078 5.286 ( 0.934 0.000 8.024) 8.078 6.425 ( -0.403 0.000 -6.911) 6.923 6.425 ( 0.403 0.000 6.911) 6.923 6.771 ( -1.205 0.000 -3.431) 3.636 6.771 ( 1.205 0.000 3.431) 3.636 7.080 ( 2.696 0.000 -7.432) 7.906 7.080 ( -2.696 0.000 7.432) 7.906 7.489 ( 0.935 0.000 -3.054) 3.194 7.489 ( -0.935 0.000 3.054) 3.194 7.692 ( -4.279 0.000 -3.742) 5.684 7.692 ( 4.279 0.000 3.742) 5.684 7.875 ( 2.955 0.000 -7.654) 8.205 7.875 ( -2.955 0.000 7.654) 8.205 11.340 ( 0.235 0.000 -1.416) 1.436 11.340 ( -0.235 0.000 1.416) 1.436 11.767 ( -3.790 0.000 -11.969) 12.555 11.767 ( 3.790 0.000 11.969) 12.555 13.255 ( 0.079 0.000 -0.063) 0.101 13.255 ( -0.079 0.000 0.063) 0.101 13.478 ( -3.236 0.000 -0.541) 3.281 13.478 ( 3.236 0.000 0.541) 3.281 14.739 ( -0.145 0.000 -1.082) 1.092 14.739 ( 0.145 0.000 1.082) 1.092 15.318 ( -4.930 0.000 -19.400) 20.017 15.318 ( 4.930 0.000 19.400) 20.017 ======================= Grid point 281 (132/160) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.163 0.000 -13.448) 13.449 0.842 ( 8.805 0.000 -12.137) 14.995 1.120 ( 3.258 0.000 9.294) 9.848 1.290 ( 1.818 0.000 10.626) 10.780 1.399 ( 0.313 0.000 -0.422) 0.525 1.453 ( 1.794 0.000 0.091) 1.797 1.667 ( 1.495 0.000 -4.513) 4.755 1.770 ( -2.292 0.000 3.776) 4.417 1.818 ( 3.245 0.000 -4.255) 5.352 1.930 ( -3.111 0.000 3.299) 4.534 2.190 ( 0.101 0.000 -6.959) 6.960 2.273 ( 0.255 0.000 -3.996) 4.004 2.291 ( -2.184 0.000 -1.108) 2.449 2.326 ( 0.546 0.000 3.931) 3.969 2.428 ( -1.366 0.000 -6.243) 6.391 2.621 ( -1.579 0.000 6.232) 6.429 2.633 ( 1.834 0.000 3.441) 3.899 2.727 ( -2.282 0.000 -0.630) 2.367 2.845 ( 2.595 0.000 0.203) 2.603 2.868 ( 0.385 0.000 1.543) 1.590 3.239 ( -0.798 0.000 -9.074) 9.109 3.507 ( 3.633 0.000 9.931) 10.575 3.735 ( -2.493 0.000 -8.150) 8.523 3.754 ( -2.160 0.000 0.480) 2.212 3.837 ( 1.443 0.000 -4.951) 5.157 3.950 ( 1.466 0.000 3.864) 4.133 4.072 ( 2.270 0.000 -3.595) 4.252 4.154 ( 4.990 0.000 0.381) 5.005 4.461 ( -2.565 0.000 -14.686) 14.908 4.614 ( -0.797 0.000 -7.291) 7.335 4.920 ( -6.582 0.000 5.602) 8.643 4.966 ( 3.424 0.000 -1.663) 3.807 5.040 ( 5.091 0.000 -5.082) 7.194 5.163 ( 2.068 0.000 5.887) 6.239 5.215 ( -1.759 0.000 -2.188) 2.807 5.468 ( 2.631 0.000 19.755) 19.930 6.332 ( -1.111 0.000 -6.925) 7.013 6.486 ( -1.057 0.000 5.085) 5.194 6.764 ( 3.147 0.000 -1.883) 3.667 6.852 ( 0.154 0.000 1.860) 1.867 7.047 ( 5.985 0.000 -4.141) 7.278 7.083 ( -6.017 0.000 5.403) 8.087 7.445 ( -2.513 0.000 -2.470) 3.524 7.478 ( -3.206 0.000 0.626) 3.267 7.569 ( -4.371 0.000 -3.711) 5.734 7.778 ( 3.337 0.000 2.359) 4.087 7.873 ( 3.346 0.000 -2.886) 4.418 7.950 ( -1.226 0.000 10.425) 10.497 11.333 ( 0.885 0.000 -1.494) 1.737 11.357 ( 0.392 0.000 1.233) 1.294 11.582 ( -4.139 0.000 -7.615) 8.667 11.916 ( -3.277 0.000 12.748) 13.163 13.264 ( 0.625 0.000 0.355) 0.719 13.265 ( 0.350 0.000 1.279) 1.326 13.415 ( -3.491 0.000 -1.366) 3.749 13.549 ( 4.289 0.000 2.956) 5.209 14.731 ( 0.863 0.000 -1.197) 1.476 14.754 ( 0.428 0.000 0.682) 0.805 15.039 ( -0.818 0.000 -21.980) 21.996 15.591 ( 4.230 0.000 14.809) 15.402 ======================= Grid point 282 (133/160) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 8.326 0.000 -7.311) 11.080 0.868 ( 8.577 0.000 -11.072) 14.005 1.200 ( -5.422 0.000 7.998) 9.662 1.294 ( -4.994 0.000 7.853) 9.307 1.513 ( 4.522 0.000 0.960) 4.623 1.537 ( 7.390 0.000 3.011) 7.980 1.680 ( 6.162 0.000 -6.832) 9.201 1.711 ( -9.287 0.000 0.220) 9.289 1.826 ( 0.667 0.000 -0.299) 0.730 1.844 ( -4.703 0.000 1.006) 4.809 2.121 ( 2.698 0.000 -9.466) 9.843 2.240 ( -2.640 0.000 -2.068) 3.354 2.245 ( 2.494 0.000 -4.440) 5.093 2.325 ( -2.805 0.000 0.293) 2.821 2.448 ( 4.540 0.000 0.671) 4.589 2.540 ( -10.715 0.000 -4.649) 11.680 2.736 ( 6.623 0.000 5.671) 8.720 2.740 ( 1.104 0.000 4.789) 4.915 2.857 ( -1.449 0.000 -1.116) 1.829 2.924 ( 5.744 0.000 1.127) 5.854 3.157 ( 4.621 0.000 -9.231) 10.323 3.469 ( -6.995 0.000 -15.151) 16.688 3.713 ( 5.354 0.000 3.924) 6.638 3.714 ( -2.363 0.000 -0.297) 2.382 3.857 ( 5.731 0.000 -1.150) 5.846 4.064 ( 4.964 0.000 5.308) 7.268 4.079 ( 4.484 0.000 -5.138) 6.820 4.245 ( 6.784 0.000 -1.027) 6.862 4.313 ( 1.298 0.000 -9.004) 9.097 4.513 ( -0.654 0.000 -7.133) 7.163 4.885 ( -4.922 0.000 3.481) 6.028 4.956 ( 1.707 0.000 -7.228) 7.427 5.086 ( 1.152 0.000 1.231) 1.686 5.178 ( -1.579 0.000 1.901) 2.471 5.197 ( -4.091 0.000 4.676) 6.213 5.684 ( -3.233 0.000 14.240) 14.603 6.261 ( 0.666 0.000 -4.336) 4.387 6.510 ( -2.209 0.000 3.909) 4.490 6.759 ( -5.277 0.000 -3.415) 6.286 6.799 ( 3.881 0.000 -2.522) 4.628 7.023 ( -6.088 0.000 1.939) 6.389 7.165 ( 8.249 0.000 -6.949) 10.785 7.365 ( -4.683 0.000 -1.027) 4.795 7.464 ( -0.151 0.000 2.742) 2.746 7.509 ( -1.279 0.000 5.029) 5.189 7.865 ( 3.252 0.000 3.659) 4.896 7.898 ( 1.963 0.000 -0.387) 2.001 8.040 ( -1.698 0.000 9.466) 9.617 11.334 ( 1.240 0.000 -1.415) 1.882 11.378 ( 0.725 0.000 0.921) 1.172 11.509 ( 1.087 0.000 -1.656) 1.981 11.935 ( -9.390 0.000 9.099) 13.075 13.270 ( -0.272 0.000 -0.141) 0.306 13.285 ( -1.912 0.000 2.584) 3.214 13.368 ( 0.395 0.000 0.907) 0.989 13.693 ( 3.972 0.000 10.494) 11.220 14.736 ( 0.609 0.000 -1.043) 1.208 14.764 ( 0.197 0.000 0.201) 0.282 14.828 ( 7.389 0.000 -23.664) 24.791 15.727 ( -2.024 0.000 5.309) 5.681 ======================= Grid point 283 (134/160) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 9.945 0.000 -9.914) 14.043 0.899 ( 9.938 0.000 1.663) 10.076 1.160 ( -10.231 0.000 9.732) 14.120 1.334 ( -4.746 0.000 12.039) 12.941 1.542 ( -0.963 0.000 -3.595) 3.722 1.619 ( 1.157 0.000 -2.118) 2.413 1.635 ( 0.649 0.000 2.987) 3.056 1.636 ( -4.676 0.000 -4.347) 6.384 1.797 ( -3.310 0.000 0.560) 3.357 1.832 ( 0.310 0.000 -0.452) 0.548 2.069 ( 7.359 0.000 -14.189) 15.984 2.122 ( -6.646 0.000 -5.235) 8.460 2.254 ( 2.997 0.000 -2.791) 4.096 2.343 ( 0.731 0.000 4.824) 4.879 2.397 ( -3.884 0.000 3.195) 5.029 2.501 ( 2.278 0.000 -0.841) 2.428 2.747 ( -1.933 0.000 -2.550) 3.200 2.826 ( -2.405 0.000 -4.279) 4.908 2.890 ( 7.536 0.000 1.294) 7.646 3.013 ( 4.579 0.000 -0.927) 4.672 3.160 ( 6.712 0.000 -8.497) 10.828 3.255 ( 5.658 0.000 -11.573) 12.882 3.687 ( -2.197 0.000 1.643) 2.743 3.771 ( 0.188 0.000 -0.682) 0.707 3.993 ( 6.795 0.000 2.066) 7.102 4.113 ( 7.644 0.000 -3.104) 8.251 4.165 ( 0.848 0.000 3.135) 3.247 4.309 ( 5.879 0.000 -2.367) 6.338 4.342 ( 7.646 0.000 -2.510) 8.047 4.465 ( 2.525 0.000 -2.789) 3.763 4.813 ( -7.484 0.000 0.287) 7.490 4.889 ( -1.108 0.000 -4.611) 4.742 5.037 ( -5.486 0.000 -1.637) 5.725 5.164 ( -7.445 0.000 6.515) 9.893 5.233 ( 1.753 0.000 4.528) 4.856 5.641 ( -9.820 0.000 -0.189) 9.822 6.262 ( 2.852 0.000 -1.315) 3.140 6.500 ( -4.179 0.000 3.309) 5.331 6.714 ( -0.559 0.000 4.049) 4.087 6.829 ( 4.390 0.000 -3.477) 5.600 6.953 ( -2.948 0.000 -1.161) 3.168 7.131 ( 2.222 0.000 -9.977) 10.221 7.291 ( -4.051 0.000 0.697) 4.110 7.415 ( -4.954 0.000 0.417) 4.972 7.692 ( 8.089 0.000 8.232) 11.541 7.924 ( 1.183 0.000 0.791) 1.423 7.946 ( 1.563 0.000 3.475) 3.810 8.098 ( -3.179 0.000 7.694) 8.325 11.342 ( 1.522 0.000 -0.975) 1.808 11.397 ( 0.548 0.000 0.573) 0.793 11.536 ( 2.329 0.000 -0.196) 2.337 11.842 ( -10.812 0.000 4.030) 11.539 13.256 ( -0.722 0.000 -0.714) 1.015 13.257 ( -2.601 0.000 0.766) 2.712 13.473 ( 4.528 0.000 8.603) 9.722 13.861 ( -2.904 0.000 15.680) 15.946 14.692 ( 5.293 0.000 -10.241) 11.528 14.766 ( -0.069 0.000 -0.028) 0.074 14.811 ( 12.688 0.000 -11.934) 17.419 15.653 ( -7.487 0.000 -3.565) 8.293 ======================= Grid point 284 (135/160) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 13.798 0.000 -4.383) 14.477 1.089 ( 6.345 0.000 8.458) 10.573 1.145 ( -4.070 0.000 8.574) 9.491 1.391 ( -5.962 0.000 10.505) 12.079 1.476 ( -7.589 0.000 -3.140) 8.213 1.491 ( -1.092 0.000 -3.537) 3.702 1.566 ( -1.494 0.000 -3.545) 3.847 1.664 ( 1.006 0.000 -3.123) 3.281 1.771 ( -1.532 0.000 2.688) 3.094 1.819 ( 0.084 0.000 -2.106) 2.108 1.941 ( -7.792 0.000 -4.066) 8.789 1.999 ( 1.476 0.000 -11.905) 11.996 2.275 ( 1.378 0.000 1.117) 1.774 2.409 ( 0.700 0.000 1.814) 1.945 2.434 ( -0.032 0.000 4.977) 4.978 2.490 ( 0.591 0.000 -6.324) 6.351 2.652 ( -5.267 0.000 -2.746) 5.940 2.692 ( -0.222 0.000 -3.808) 3.814 3.062 ( 9.487 0.000 -1.930) 9.682 3.067 ( 2.558 0.000 0.039) 2.558 3.198 ( 11.645 0.000 -4.342) 12.429 3.349 ( 10.257 0.000 -1.363) 10.347 3.651 ( -5.320 0.000 1.175) 5.448 3.701 ( -7.566 0.000 -2.039) 7.836 4.069 ( 4.228 0.000 -0.789) 4.301 4.168 ( -2.680 0.000 1.260) 2.961 4.256 ( 10.480 0.000 -0.599) 10.497 4.414 ( 5.198 0.000 -2.814) 5.911 4.421 ( 7.769 0.000 0.527) 7.787 4.537 ( 6.465 0.000 0.795) 6.514 4.666 ( -9.893 0.000 0.051) 9.894 4.838 ( -0.998 0.000 -3.502) 3.641 4.920 ( -5.248 0.000 -0.080) 5.249 5.101 ( -10.166 0.000 6.270) 11.944 5.299 ( 1.077 0.000 3.409) 3.575 5.466 ( -6.249 0.000 -5.465) 8.301 6.307 ( 4.172 0.000 -0.722) 4.234 6.450 ( -5.618 0.000 1.834) 5.910 6.786 ( -0.979 0.000 9.037) 9.090 6.869 ( 5.595 0.000 -3.543) 6.622 6.909 ( -0.289 0.000 -2.083) 2.103 7.046 ( -0.404 0.000 -7.747) 7.757 7.261 ( -1.380 0.000 1.651) 2.152 7.340 ( -4.272 0.000 -0.321) 4.284 7.885 ( 9.237 0.000 1.016) 9.292 7.959 ( 1.133 0.000 2.685) 2.915 7.983 ( -1.003 0.000 2.481) 2.676 8.103 ( -4.977 0.000 4.677) 6.830 11.361 ( 1.907 0.000 -0.461) 1.962 11.404 ( -0.372 0.000 0.260) 0.454 11.565 ( 2.445 0.000 -0.832) 2.583 11.710 ( -8.584 0.000 0.892) 8.630 13.233 ( -1.546 0.000 0.870) 1.775 13.237 ( -0.350 0.000 -0.948) 1.011 13.657 ( 6.209 0.000 7.867) 10.022 13.908 ( -8.329 0.000 8.961) 12.234 14.710 ( 3.710 0.000 -1.393) 3.962 14.761 ( -0.428 0.000 -0.204) 0.474 14.938 ( 18.661 0.000 -9.033) 20.732 15.445 ( -12.161 0.000 -5.075) 13.178 ======================= Grid point 285 (136/160) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -6.789 0.000 2.247) 7.152 1.156 ( 6.789 0.000 -2.247) 7.152 1.274 ( -5.551 0.000 -8.011) 9.746 1.274 ( 5.551 0.000 8.011) 9.746 1.424 ( 1.012 0.000 -3.938) 4.065 1.424 ( -1.012 0.000 3.938) 4.065 1.586 ( -1.637 0.000 -6.460) 6.665 1.586 ( 1.637 0.000 6.460) 6.665 1.792 ( 0.533 0.000 -3.426) 3.467 1.792 ( -0.533 0.000 3.426) 3.467 1.893 ( 0.040 0.000 -6.307) 6.307 1.893 ( -0.040 0.000 6.307) 6.307 2.338 ( -1.641 0.000 -6.462) 6.667 2.338 ( 1.641 0.000 6.462) 6.667 2.468 ( 0.732 0.000 -1.981) 2.112 2.468 ( -0.732 0.000 1.981) 2.112 2.646 ( 0.320 0.000 -4.502) 4.514 2.646 ( -0.320 0.000 4.502) 4.514 3.092 ( 0.969 0.000 -2.344) 2.536 3.092 ( -0.969 0.000 2.344) 2.536 3.419 ( -10.346 0.000 0.829) 10.380 3.419 ( 10.346 0.000 -0.829) 10.380 3.565 ( 2.853 0.000 -1.915) 3.436 3.565 ( -2.853 0.000 1.915) 3.436 4.126 ( -3.741 0.000 0.583) 3.786 4.126 ( 3.741 0.000 -0.583) 3.786 4.401 ( -5.818 0.000 -1.399) 5.984 4.401 ( 5.818 0.000 1.399) 5.984 4.516 ( -5.519 0.000 0.787) 5.575 4.516 ( 5.519 0.000 -0.787) 5.575 4.702 ( -8.781 0.000 -2.517) 9.135 4.702 ( 8.781 0.000 2.517) 9.135 4.977 ( -10.079 0.000 1.921) 10.261 4.977 ( 10.079 0.000 -1.921) 10.261 5.355 ( -1.514 0.000 -4.115) 4.385 5.355 ( 1.514 0.000 4.115) 4.385 6.375 ( -5.353 0.000 0.736) 5.403 6.375 ( 5.353 0.000 -0.736) 5.403 6.858 ( 3.170 0.000 -9.459) 9.976 6.858 ( -3.170 0.000 9.459) 9.976 6.953 ( -2.026 0.000 -5.140) 5.525 6.953 ( 2.026 0.000 5.140) 5.525 7.282 ( -1.834 0.000 -1.254) 2.222 7.282 ( 1.834 0.000 1.254) 2.222 7.972 ( 3.932 0.000 -2.535) 4.678 7.972 ( -3.932 0.000 2.535) 4.678 8.042 ( -5.517 0.000 -0.641) 5.554 8.042 ( 5.517 0.000 0.641) 5.554 11.389 ( -1.705 0.000 0.091) 1.708 11.389 ( 1.705 0.000 -0.091) 1.708 11.611 ( -4.739 0.000 0.471) 4.763 11.611 ( 4.739 0.000 -0.471) 4.763 13.227 ( 0.507 0.000 -0.977) 1.101 13.227 ( -0.507 0.000 0.977) 1.101 13.820 ( -7.773 0.000 -0.983) 7.835 13.820 ( 7.773 0.000 0.983) 7.835 14.745 ( -1.123 0.000 -0.614) 1.280 14.745 ( 1.123 0.000 0.614) 1.280 15.180 ( -17.240 0.000 0.120) 17.241 15.180 ( 17.240 0.000 -0.120) 17.241 ======================= Grid point 291 (137/160) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.550 4.234 -11.892) 12.718 0.958 ( -1.550 4.234 11.892) 12.718 1.142 ( -3.207 5.452 -11.878) 13.457 1.142 ( 3.207 5.452 11.878) 13.457 1.447 ( -1.982 1.182 -0.268) 2.323 1.447 ( 1.982 1.182 0.268) 2.323 1.693 ( -3.872 -5.133 -1.378) 6.575 1.693 ( 3.872 -5.133 1.378) 6.575 1.830 ( -0.076 -2.068 -6.509) 6.830 1.830 ( 0.076 -2.068 6.509) 6.830 2.157 ( 1.999 -6.546 -3.822) 7.839 2.157 ( -1.999 -6.546 3.822) 7.839 2.398 ( 0.786 6.757 -4.653) 8.242 2.398 ( -0.786 6.757 4.653) 8.242 2.585 ( -0.295 1.131 -2.158) 2.454 2.585 ( 0.295 1.131 2.158) 2.454 2.654 ( -4.847 3.680 -3.959) 7.260 2.654 ( 4.847 3.680 3.959) 7.260 2.944 ( -0.267 6.776 -4.479) 8.127 2.944 ( 0.267 6.776 4.479) 8.127 3.315 ( -1.225 -3.038 -9.338) 9.895 3.315 ( 1.225 -3.038 9.338) 9.895 3.790 ( -1.591 1.466 -4.586) 5.070 3.790 ( 1.591 1.466 4.586) 5.070 3.905 ( -2.655 0.931 -2.700) 3.900 3.905 ( 2.655 0.931 2.700) 3.900 4.141 ( -1.000 4.524 -1.061) 4.753 4.141 ( 1.000 4.524 1.061) 4.753 4.630 ( -1.822 -0.378 -5.414) 5.725 4.630 ( 1.822 -0.378 5.414) 5.725 4.926 ( 2.399 -2.429 -3.125) 4.628 4.926 ( -2.399 -2.429 3.125) 4.628 5.007 ( 4.542 -1.995 -7.006) 8.585 5.007 ( -4.542 -1.995 7.006) 8.585 5.350 ( -0.086 3.779 -8.009) 8.856 5.350 ( 0.086 3.779 8.009) 8.856 6.463 ( 0.549 3.281 -7.698) 8.386 6.463 ( -0.549 3.281 7.698) 8.386 6.763 ( -1.910 -1.000 -3.318) 3.957 6.763 ( 1.910 -1.000 3.318) 3.957 7.031 ( 1.700 -3.456 -5.032) 6.337 7.031 ( -1.700 -3.456 5.032) 6.337 7.492 ( -2.601 -0.264 -5.015) 5.656 7.492 ( 2.601 -0.264 5.015) 5.656 7.681 ( -6.905 -1.180 -2.096) 7.312 7.681 ( 6.905 -1.180 2.096) 7.312 7.861 ( 1.835 -1.135 -7.377) 7.686 7.861 ( -1.835 -1.135 7.377) 7.686 11.344 ( -0.303 0.438 -1.349) 1.450 11.344 ( 0.303 0.438 1.349) 1.450 11.701 ( -2.211 -5.503 -10.326) 11.908 11.701 ( 2.211 -5.503 10.326) 11.908 13.295 ( 1.027 2.749 -1.110) 3.137 13.295 ( -1.027 2.749 1.110) 3.137 13.484 ( -1.914 0.551 -0.281) 2.011 13.484 ( 1.914 0.551 0.281) 2.011 14.744 ( -0.070 0.423 -0.990) 1.079 14.744 ( 0.070 0.423 0.990) 1.079 15.324 ( -3.695 0.931 -18.806) 19.188 15.324 ( 3.695 0.931 18.806) 19.188 ======================= Grid point 293 (138/160) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 6.658 7.676 -6.755) 12.202 0.956 ( -0.304 9.936 -12.276) 15.796 1.119 ( 2.636 0.793 8.533) 8.966 1.302 ( 1.108 -0.024 7.852) 7.930 1.391 ( -3.176 -0.648 0.679) 3.312 1.480 ( 3.122 2.296 -0.682) 3.935 1.637 ( 0.636 -3.423 -0.993) 3.621 1.743 ( 1.738 -6.952 -2.896) 7.729 1.750 ( -3.879 -4.311 0.609) 5.831 1.886 ( 0.853 -1.098 1.467) 2.021 2.122 ( -2.525 -3.446 -5.736) 7.152 2.183 ( -0.904 -7.659 2.712) 8.175 2.334 ( -0.950 1.294 -0.324) 1.638 2.408 ( -0.898 8.623 -1.626) 8.820 2.535 ( -0.079 7.789 -3.003) 8.348 2.556 ( -1.141 -2.336 1.059) 2.808 2.675 ( 1.651 1.300 -0.327) 2.126 2.740 ( 1.136 5.291 3.245) 6.310 2.881 ( -1.423 4.767 -3.567) 6.122 3.000 ( 0.903 6.948 4.487) 8.320 3.210 ( 0.980 -1.610 -9.628) 9.810 3.456 ( 2.238 -4.185 9.127) 10.287 3.703 ( 0.211 -0.429 -7.559) 7.575 3.786 ( -4.414 0.470 0.805) 4.512 3.856 ( 0.755 1.227 -4.556) 4.778 4.010 ( 5.668 5.815 2.459) 8.485 4.117 ( 0.930 4.247 -2.488) 5.010 4.191 ( 5.033 4.043 0.131) 6.457 4.474 ( -1.866 1.235 -13.183) 13.372 4.612 ( -1.351 0.043 -6.890) 7.021 4.894 ( -4.820 -2.152 3.631) 6.407 4.936 ( 1.475 -3.315 0.778) 3.711 5.042 ( 4.837 -0.141 -3.720) 6.104 5.091 ( 4.062 -3.814 2.829) 6.249 5.279 ( -3.701 2.671 -0.234) 4.570 5.471 ( -2.539 -0.815 16.561) 16.774 6.369 ( -1.094 3.387 -7.769) 8.545 6.523 ( -1.007 2.742 5.542) 6.265 6.753 ( 3.100 -0.719 -1.287) 3.432 6.867 ( 2.932 -0.650 2.702) 4.040 6.985 ( 0.477 -3.176 -4.360) 5.415 7.032 ( -4.615 -3.897 3.778) 7.125 7.368 ( -3.622 -3.901 -1.178) 5.452 7.526 ( -6.297 -1.398 2.112) 6.788 7.579 ( 0.281 2.928 -4.152) 5.088 7.790 ( 4.030 0.822 0.701) 4.172 7.867 ( 5.897 -0.272 -1.428) 6.073 7.938 ( -1.036 -1.137 9.600) 9.723 11.332 ( 0.459 0.453 -0.621) 0.895 11.379 ( 2.104 1.781 1.198) 3.006 11.563 ( -2.526 -1.650 -6.376) 7.054 11.827 ( -2.234 -7.564 11.220) 13.714 13.294 ( 0.011 2.226 0.641) 2.317 13.321 ( 2.148 4.063 0.230) 4.601 13.454 ( -2.557 2.507 2.973) 4.654 13.550 ( 4.769 0.886 0.924) 4.938 14.734 ( 0.366 0.261 -1.094) 1.183 14.755 ( 0.178 0.108 0.647) 0.680 15.045 ( -2.399 1.002 -21.747) 21.902 15.545 ( 0.843 -3.986 13.072) 13.692 ======================= Grid point 294 (139/160) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 4.161 7.873 -9.770) 13.219 0.963 ( 4.800 7.073 -6.771) 10.905 1.167 ( -6.429 -2.146 7.018) 9.756 1.332 ( -3.044 2.471 6.819) 7.866 1.458 ( 2.789 -4.012 5.471) 7.335 1.543 ( 3.461 -1.968 -1.562) 4.277 1.632 ( 3.395 -2.198 -7.647) 8.650 1.717 ( 1.137 -3.140 3.733) 5.009 1.758 ( -1.097 -2.925 2.280) 3.867 1.857 ( -5.772 -0.991 -1.681) 6.093 2.032 ( 2.998 -2.939 -4.388) 6.073 2.181 ( -0.513 -5.778 1.273) 5.939 2.308 ( -4.411 3.240 -4.154) 6.871 2.366 ( 0.527 4.100 -3.364) 5.329 2.524 ( -3.094 -0.572 -1.452) 3.466 2.543 ( -1.122 5.827 -2.594) 6.477 2.651 ( 3.844 -3.448 0.439) 5.182 2.781 ( 1.263 4.643 2.020) 5.218 2.862 ( 1.915 2.837 -2.238) 4.090 3.061 ( 0.690 7.146 3.106) 7.822 3.162 ( 4.320 0.728 -6.334) 7.702 3.432 ( -3.393 -3.080 -13.392) 14.155 3.687 ( 2.881 -0.136 0.357) 2.907 3.775 ( 0.084 2.452 1.001) 2.649 3.841 ( 3.676 -0.063 0.557) 3.719 4.048 ( 2.295 -0.991 -4.770) 5.385 4.162 ( 3.003 6.711 2.748) 7.849 4.304 ( 8.471 5.218 -2.283) 10.208 4.347 ( 1.909 3.424 -6.834) 7.878 4.509 ( -0.614 -0.121 -6.586) 6.616 4.872 ( -3.648 -1.357 3.472) 5.216 4.908 ( -2.190 -5.251 -4.676) 7.364 5.090 ( 2.655 0.045 0.720) 2.751 5.166 ( 1.386 -1.503 3.727) 4.251 5.204 ( -7.054 1.059 1.412) 7.272 5.577 ( -5.309 -9.434 11.120) 15.519 6.276 ( -0.692 1.769 -5.697) 6.005 6.553 ( -2.382 2.357 3.831) 5.090 6.764 ( -4.828 0.547 -3.757) 6.142 6.816 ( 3.338 1.390 -2.838) 4.597 6.962 ( -3.109 -5.333 -1.258) 6.300 7.031 ( 2.325 -7.085 -0.225) 7.460 7.438 ( -4.181 -3.389 -0.230) 5.387 7.444 ( 5.524 0.874 7.905) 9.684 7.530 ( -2.153 6.058 -1.626) 6.632 7.857 ( 3.652 -0.177 1.162) 3.837 7.960 ( 3.463 4.433 3.085) 6.416 8.026 ( -0.579 -1.190 8.127) 8.234 11.342 ( 1.451 1.493 -0.600) 2.167 11.427 ( 1.192 3.526 0.387) 3.742 11.511 ( 1.882 0.521 -0.306) 1.977 11.868 ( -6.397 -5.615 8.671) 12.150 13.299 ( 0.229 4.161 -0.309) 4.179 13.375 ( 2.392 3.825 4.099) 6.095 13.445 ( -3.772 8.426 3.178) 9.763 13.673 ( 4.740 -1.256 7.732) 9.156 14.733 ( 0.780 -0.386 -0.891) 1.245 14.762 ( 0.059 -0.280 0.073) 0.295 14.797 ( 3.704 -2.566 -23.323) 23.754 15.612 ( -4.350 -10.511 3.734) 11.973 ======================= Grid point 295 (140/160) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 9.675 1.665 -7.164) 12.153 0.987 ( 5.143 5.103 -0.374) 7.255 1.135 ( -8.522 -1.667 10.395) 13.545 1.341 ( -5.573 -0.036 6.633) 8.663 1.490 ( -0.495 -5.211 -3.199) 6.135 1.529 ( -0.785 -2.911 0.796) 3.119 1.646 ( -0.348 1.980 -1.850) 2.733 1.728 ( -3.635 0.431 -2.218) 4.280 1.760 ( -3.075 -0.142 3.494) 4.657 1.793 ( 2.366 -4.669 -0.804) 5.296 2.041 ( 4.330 -2.213 -7.976) 9.341 2.160 ( -3.892 4.175 -6.868) 8.930 2.249 ( 0.264 -6.685 7.237) 9.855 2.301 ( 1.320 4.618 -6.077) 7.746 2.443 ( -3.697 1.901 2.849) 5.039 2.556 ( 1.737 2.240 -1.814) 3.365 2.697 ( 3.410 -4.291 -2.087) 5.865 2.797 ( -0.300 4.332 -5.143) 6.731 2.968 ( 13.548 -0.234 0.522) 13.560 3.004 ( -4.777 1.809 -7.429) 9.015 3.167 ( 2.917 0.959 -3.063) 4.338 3.291 ( 5.529 3.052 -9.400) 11.325 3.711 ( -2.338 1.811 2.756) 4.043 3.766 ( 0.980 -0.739 -2.653) 2.923 3.942 ( 2.736 -2.363 1.832) 4.053 4.055 ( 4.912 -4.748 -2.964) 7.447 4.226 ( 0.515 3.497 3.363) 4.879 4.299 ( 2.588 2.075 -4.746) 5.790 4.427 ( 6.402 2.717 -2.601) 7.425 4.494 ( 4.320 3.725 -0.517) 5.727 4.784 ( -7.227 -3.059 -0.323) 7.854 4.863 ( -2.094 -2.493 0.459) 3.288 5.040 ( -10.127 -1.168 -1.505) 10.305 5.124 ( -2.099 -2.527 1.601) 3.654 5.248 ( 1.794 1.159 4.704) 5.166 5.539 ( -5.944 -8.247 -0.072) 10.166 6.237 ( 1.545 -1.408 -2.388) 3.173 6.503 ( -5.639 -1.101 -0.054) 5.746 6.709 ( -0.445 -0.750 2.594) 2.737 6.864 ( 3.800 2.851 -1.267) 4.917 6.900 ( -1.228 -4.023 -2.675) 4.985 7.053 ( 1.217 -3.109 -0.602) 3.393 7.372 ( -1.851 0.411 -2.055) 2.796 7.452 ( -3.410 7.581 -1.357) 8.423 7.670 ( 7.922 -1.835 7.695) 11.195 7.930 ( 3.260 2.144 2.132) 4.447 8.031 ( -0.822 4.255 5.542) 7.035 8.089 ( -0.597 0.580 4.599) 4.674 11.358 ( 1.654 1.585 -1.083) 2.534 11.420 ( -0.446 1.206 -0.980) 1.617 11.584 ( 3.597 5.201 2.196) 6.694 11.830 ( -7.454 -0.520 4.862) 8.915 13.290 ( -0.229 5.428 -1.118) 5.546 13.400 ( -4.704 10.101 1.394) 11.229 13.499 ( 3.816 3.142 8.914) 10.193 13.831 ( -1.701 -2.647 13.745) 14.100 14.663 ( 9.691 -4.521 -17.437) 20.455 14.755 ( 5.026 -3.591 -4.418) 7.594 14.762 ( 0.115 -0.598 -0.165) 0.631 15.507 ( -8.195 -13.967 -3.647) 16.599 ======================= Grid point 296 (141/160) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 12.826 -1.017 -3.957) 13.461 1.123 ( 5.495 2.970 8.418) 10.482 1.158 ( -2.297 1.596 8.889) 9.318 1.321 ( -4.765 -5.181 5.184) 8.742 1.444 ( -4.677 -1.248 -2.194) 5.315 1.490 ( -0.953 -1.850 -1.978) 2.872 1.578 ( -5.567 2.211 0.984) 6.070 1.649 ( -0.695 -4.240 -4.225) 6.027 1.736 ( -0.427 -1.823 -3.537) 4.002 1.778 ( -4.533 -1.655 -1.189) 4.969 1.983 ( -1.936 1.732 -3.478) 4.341 2.039 ( -0.434 2.713 -7.009) 7.528 2.250 ( -0.617 -1.510 -0.251) 1.651 2.347 ( 0.211 -2.701 -0.493) 2.754 2.443 ( -1.273 -1.226 4.415) 4.756 2.523 ( 0.740 1.279 -6.591) 6.755 2.693 ( -0.830 4.150 -0.058) 4.232 2.742 ( 1.784 4.439 -4.201) 6.366 2.980 ( 8.257 -3.893 -2.186) 9.387 3.140 ( 0.737 2.428 -1.318) 2.859 3.218 ( 14.799 1.031 -2.916) 15.118 3.345 ( 6.790 0.742 -0.147) 6.832 3.666 ( -6.961 1.323 1.964) 7.353 3.709 ( -5.215 0.857 -3.239) 6.199 3.997 ( 4.397 -6.966 0.724) 8.269 4.098 ( 2.579 -6.314 -1.472) 6.977 4.240 ( -0.271 -0.594 0.440) 0.787 4.307 ( 2.585 -2.795 -2.038) 4.319 4.474 ( -0.179 -4.504 0.506) 4.536 4.547 ( 1.116 0.501 -1.068) 1.624 4.707 ( -3.216 3.243 1.868) 4.935 4.801 ( -6.471 -3.918 -0.325) 7.571 4.916 ( 1.047 1.146 -1.024) 1.859 5.090 ( -4.591 -0.113 1.195) 4.746 5.316 ( 0.957 1.459 3.644) 4.040 5.439 ( -3.081 -2.014 -3.816) 5.302 6.265 ( 3.668 -3.483 -0.481) 5.081 6.414 ( -5.498 -3.568 0.144) 6.556 6.752 ( 0.077 -3.588 4.493) 5.750 6.847 ( -1.690 -5.147 -1.340) 5.581 6.925 ( 5.365 4.889 -2.057) 7.545 7.050 ( -0.910 2.576 -1.222) 2.992 7.339 ( 1.148 4.332 -2.707) 5.236 7.391 ( -4.033 6.249 1.113) 7.521 7.857 ( 8.837 -2.323 2.005) 9.355 8.003 ( 2.394 4.279 2.239) 5.390 8.051 ( -4.724 2.291 6.093) 8.043 8.106 ( -1.044 3.216 0.688) 3.451 11.370 ( 1.485 0.679 -1.059) 1.946 11.402 ( -0.810 -0.291 -0.374) 0.939 11.648 ( 3.036 8.332 0.271) 8.872 11.758 ( -6.063 5.339 2.200) 8.373 13.278 ( 0.533 5.126 -1.065) 5.262 13.338 ( -4.323 8.484 0.776) 9.553 13.667 ( 5.423 1.146 7.190) 9.078 13.883 ( -7.272 -2.393 8.474) 11.420 14.696 ( 6.288 -2.293 -3.110) 7.381 14.755 ( -0.486 -0.593 -0.212) 0.796 14.832 ( 14.564 -9.709 -7.717) 19.129 15.297 ( -12.139 -14.436 -4.469) 19.384 ======================= Grid point 297 (142/160) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -8.457 -1.624 0.796) 8.648 1.148 ( 8.457 -1.624 -0.796) 8.648 1.304 ( -3.834 2.929 -8.825) 10.058 1.304 ( 3.834 2.929 8.825) 10.058 1.381 ( -4.040 -1.906 -7.590) 8.807 1.381 ( 4.040 -1.906 7.590) 8.807 1.592 ( -0.173 -1.912 -6.597) 6.871 1.592 ( 0.173 -1.912 6.597) 6.871 1.695 ( 3.905 -4.389 -5.562) 8.091 1.695 ( -3.905 -4.389 5.562) 8.091 1.975 ( 0.498 4.027 -4.229) 5.861 1.975 ( -0.498 4.027 4.229) 5.861 2.278 ( -0.922 -3.901 -4.844) 6.287 2.278 ( 0.922 -3.901 4.844) 6.287 2.484 ( 0.263 0.178 -3.396) 3.411 2.484 ( -0.263 0.178 3.396) 3.411 2.715 ( 0.762 6.117 -4.335) 7.536 2.715 ( -0.762 6.117 4.335) 7.536 3.088 ( -2.630 -1.122 -1.777) 3.367 3.088 ( 2.630 -1.122 1.777) 3.367 3.413 ( -1.589 -0.389 -0.058) 1.637 3.413 ( 1.589 -0.389 0.058) 1.637 3.585 ( -0.259 2.042 -2.702) 3.396 3.585 ( 0.259 2.042 2.702) 3.396 4.080 ( -2.714 -6.102 -1.398) 6.823 4.080 ( 2.714 -6.102 1.398) 6.823 4.281 ( 0.592 -6.328 -3.253) 7.140 4.281 ( -0.592 -6.328 3.253) 7.140 4.491 ( -1.766 -6.555 -2.029) 7.085 4.491 ( 1.766 -6.555 2.029) 7.085 4.723 ( -1.560 3.356 -1.826) 4.127 4.723 ( 1.560 3.356 1.826) 4.127 5.001 ( -2.327 2.050 -3.023) 4.331 5.001 ( 2.327 2.050 3.023) 4.331 5.367 ( -0.893 1.040 -3.589) 3.842 5.367 ( 0.893 1.040 3.589) 3.842 6.332 ( -2.245 -4.037 -1.600) 4.888 6.332 ( 2.245 -4.037 1.600) 4.888 6.802 ( 1.474 -5.445 -5.438) 7.835 6.802 ( -1.474 -5.445 5.438) 7.835 6.995 ( -3.453 5.383 -1.455) 6.559 6.995 ( 3.453 5.383 1.455) 6.559 7.350 ( 2.814 5.683 -2.203) 6.713 7.350 ( -2.814 5.683 2.203) 6.713 7.986 ( 2.300 -1.118 -2.432) 3.529 7.986 ( -2.300 -1.118 2.432) 3.529 8.075 ( -1.305 5.318 -2.420) 5.987 8.075 ( 1.305 5.318 2.420) 5.987 11.385 ( -0.200 -0.411 -0.376) 0.592 11.385 ( 0.200 -0.411 0.376) 0.592 11.697 ( -3.796 8.772 0.898) 9.600 11.697 ( 3.796 8.772 -0.898) 9.600 13.291 ( -2.455 5.984 0.729) 6.509 13.291 ( 2.455 5.984 -0.729) 6.509 13.810 ( -5.781 -0.913 -1.221) 5.978 13.810 ( 5.781 -0.913 1.221) 5.978 14.739 ( -1.133 -0.661 -0.619) 1.451 14.739 ( 1.133 -0.661 0.619) 1.451 15.044 ( -16.521 -13.416 0.689) 21.294 15.044 ( 16.521 -13.416 -0.689) 21.294 ======================= Grid point 303 (143/160) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.783 -0.569 -8.132) 8.190 1.030 ( -0.783 -0.569 8.132) 8.190 1.200 ( -1.926 2.119 -6.468) 7.074 1.200 ( 1.926 2.119 6.468) 7.074 1.468 ( -2.340 -0.215 -2.744) 3.613 1.468 ( 2.340 -0.215 2.744) 3.613 1.560 ( -2.160 -5.221 -5.377) 7.800 1.560 ( 2.160 -5.221 5.377) 7.800 1.789 ( -4.443 -1.963 -5.005) 6.974 1.789 ( 4.443 -1.963 5.005) 6.974 2.063 ( -1.447 -3.384 -3.030) 4.767 2.063 ( 1.447 -3.384 3.030) 4.767 2.452 ( -4.391 -1.745 -5.673) 7.383 2.452 ( 4.391 -1.745 5.673) 7.383 2.733 ( -0.587 12.414 -3.112) 12.811 2.733 ( 0.587 12.414 3.112) 12.811 2.778 ( -5.750 8.628 -3.536) 10.955 2.778 ( 5.750 8.628 3.536) 10.955 3.037 ( 0.156 2.837 -2.903) 4.062 3.037 ( -0.156 2.837 2.903) 4.062 3.279 ( -0.060 0.259 -8.297) 8.301 3.279 ( 0.060 0.259 8.297) 8.301 3.806 ( 3.550 0.343 -7.755) 8.536 3.806 ( -3.550 0.343 7.755) 8.536 3.981 ( -7.373 6.619 -2.170) 10.143 3.981 ( 7.373 6.619 2.170) 10.143 4.252 ( -1.012 6.954 -1.682) 7.226 4.252 ( 1.012 6.954 1.682) 7.226 4.632 ( -1.258 0.325 -6.818) 6.940 4.632 ( 1.258 0.325 6.818) 6.940 4.868 ( 0.836 -3.503 -3.977) 5.366 4.868 ( -0.836 -3.503 3.977) 5.366 4.967 ( 2.731 -2.038 -7.397) 8.144 4.967 ( -2.731 -2.038 7.397) 8.144 5.352 ( -0.129 -4.358 -7.300) 8.503 5.352 ( 0.129 -4.358 7.300) 8.503 6.510 ( 1.601 0.519 -6.874) 7.077 6.510 ( -1.601 0.519 6.874) 7.077 6.731 ( -0.392 -1.605 -1.724) 2.388 6.731 ( 0.392 -1.605 1.724) 2.388 7.020 ( -0.989 3.032 -5.660) 6.497 7.020 ( 0.989 3.032 5.660) 6.497 7.464 ( -6.887 -2.453 -5.493) 9.144 7.464 ( 6.887 -2.453 5.493) 9.144 7.642 ( -10.741 -3.077 -2.062) 11.362 7.642 ( 10.741 -3.077 2.062) 11.362 7.845 ( -0.334 -0.338 -5.392) 5.413 7.845 ( 0.334 -0.338 5.392) 5.413 11.357 ( -0.876 0.872 -1.198) 1.721 11.357 ( 0.876 0.872 1.198) 1.721 11.605 ( -0.369 -3.810 -6.307) 7.378 11.605 ( 0.369 -3.810 6.307) 7.378 13.323 ( 2.326 0.108 -1.255) 2.645 13.323 ( -2.326 0.108 1.255) 2.645 13.489 ( -0.785 -0.322 -3.760) 3.855 13.489 ( 0.785 -0.322 3.760) 3.855 14.750 ( -0.016 0.133 -0.758) 0.770 14.750 ( 0.016 0.133 0.758) 0.770 15.363 ( -1.481 2.974 -15.574) 15.925 15.363 ( 1.481 2.974 15.574) 15.925 ======================= Grid point 305 (144/160) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.507 -2.845 -1.079) 3.942 1.084 ( -1.127 1.013 -6.114) 6.299 1.179 ( 3.254 2.964 7.645) 8.822 1.288 ( 1.751 2.052 3.619) 4.513 1.396 ( -3.479 1.401 -1.602) 4.079 1.464 ( -3.853 -4.944 -1.258) 6.393 1.556 ( 4.751 -0.864 1.321) 5.007 1.620 ( 0.788 -3.589 -3.104) 4.810 1.682 ( -2.265 -3.043 2.703) 4.658 1.861 ( -0.089 -2.400 1.603) 2.888 2.027 ( -0.336 -6.662 0.423) 6.684 2.080 ( -4.349 -2.746 -0.667) 5.186 2.349 ( -0.431 0.164 -1.230) 1.314 2.533 ( -0.618 2.142 1.934) 2.951 2.631 ( -4.034 10.267 -2.035) 11.217 2.699 ( -2.083 7.496 -4.137) 8.812 2.723 ( 0.027 6.868 -3.931) 7.914 2.902 ( 3.604 9.338 0.383) 10.017 2.985 ( -1.796 5.232 -2.610) 6.117 3.065 ( 1.472 0.535 2.006) 2.545 3.228 ( 1.483 2.211 -4.491) 5.221 3.399 ( 2.214 0.347 6.959) 7.311 3.712 ( 1.086 0.855 -10.934) 11.021 3.787 ( -3.488 -0.216 2.519) 4.308 3.896 ( -2.060 3.721 -2.135) 4.759 4.103 ( 2.441 3.371 -1.316) 4.365 4.248 ( 2.865 8.475 0.168) 8.947 4.308 ( 6.128 7.808 -0.328) 9.931 4.506 ( -1.240 1.863 -9.739) 9.993 4.621 ( -2.403 0.797 -6.322) 6.810 4.817 ( -2.619 -6.880 -1.490) 7.511 4.865 ( -3.795 -2.872 6.152) 7.778 5.004 ( 6.115 -4.070 -3.201) 8.013 5.056 ( 2.908 0.230 3.768) 4.765 5.279 ( -2.777 -2.788 0.180) 3.939 5.400 ( -6.876 -6.716 10.199) 14.014 6.430 ( -1.375 2.103 -7.399) 7.815 6.544 ( -1.922 -1.277 4.424) 4.990 6.747 ( 3.912 -0.224 -0.298) 3.930 6.784 ( 3.458 -4.413 -0.196) 5.609 6.952 ( -2.615 -0.050 -1.709) 3.124 7.067 ( -6.096 6.297 2.552) 9.129 7.300 ( -1.354 -3.162 0.372) 3.460 7.467 ( -9.895 -3.913 2.348) 10.897 7.620 ( 7.551 0.718 -2.096) 7.869 7.802 ( 1.739 0.469 -2.462) 3.050 7.860 ( 10.760 -1.001 3.557) 11.377 7.915 ( 0.126 -0.922 6.181) 6.251 11.356 ( 1.195 1.918 0.832) 2.408 11.416 ( 4.098 1.790 1.480) 4.710 11.532 ( -1.227 -1.206 -3.537) 3.933 11.687 ( 0.081 -5.910 7.381) 9.455 13.329 ( 0.434 1.312 2.320) 2.701 13.373 ( 5.518 0.777 -1.647) 5.811 13.459 ( -0.666 -1.070 2.564) 2.857 13.587 ( 5.198 1.263 3.218) 6.243 14.738 ( -0.299 0.131 -0.788) 0.853 14.756 ( -0.117 -0.100 0.404) 0.433 15.098 ( -6.651 4.726 -19.228) 20.887 15.469 ( -5.869 -3.488 9.103) 11.378 ======================= Grid point 306 (145/160) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -2.183 0.818 -4.272) 4.867 1.032 ( -0.640 0.302 0.483) 0.857 1.195 ( -5.155 6.743 -1.123) 8.561 1.357 ( 0.725 -0.310 4.243) 4.316 1.381 ( 0.308 -3.648 2.595) 4.487 1.447 ( 1.113 -3.984 1.393) 4.365 1.608 ( 5.936 -2.871 -4.318) 7.882 1.647 ( 5.180 0.281 0.181) 5.191 1.720 ( -2.323 -2.697 7.165) 8.000 1.819 ( -5.803 -2.757 -2.159) 6.778 2.014 ( -1.121 -6.360 -1.691) 6.676 2.029 ( 0.080 -3.437 5.068) 6.124 2.354 ( -1.967 1.856 -0.410) 2.735 2.474 ( -0.882 6.375 -7.254) 9.697 2.554 ( -6.076 2.153 -0.354) 6.456 2.614 ( -1.241 7.201 -5.016) 8.863 2.699 ( 0.952 5.189 -1.087) 5.386 2.906 ( 1.914 6.941 -1.810) 7.424 2.954 ( 1.665 6.675 -4.353) 8.141 3.127 ( 2.538 0.708 2.303) 3.499 3.177 ( -3.253 -0.934 -4.620) 5.727 3.403 ( 0.907 1.434 -9.275) 9.429 3.685 ( 3.485 -0.828 -1.465) 3.870 3.780 ( -0.456 -1.131 -1.653) 2.054 3.878 ( 1.873 2.606 2.756) 4.230 4.046 ( -1.907 1.011 -5.906) 6.288 4.284 ( -0.451 4.662 1.102) 4.812 4.400 ( 4.101 4.476 -6.198) 8.675 4.421 ( 1.808 2.595 -2.814) 4.234 4.536 ( 1.370 2.973 -3.748) 4.977 4.751 ( -4.339 -8.956 0.216) 9.954 4.840 ( -5.413 -2.737 3.176) 6.847 5.045 ( 2.054 -5.418 -1.987) 6.125 5.144 ( 1.310 0.246 3.814) 4.041 5.223 ( -4.584 0.212 0.341) 4.602 5.404 ( -3.522 -6.599 7.135) 10.337 6.317 ( -2.905 1.987 -6.214) 7.141 6.534 ( -3.989 -4.347 0.890) 5.967 6.756 ( -2.885 -1.342 -4.056) 5.155 6.834 ( 4.714 -1.614 -1.390) 5.173 6.894 ( -2.359 0.822 -0.306) 2.517 6.980 ( -0.786 1.670 2.115) 2.807 7.375 ( -1.987 -2.492 2.954) 4.345 7.446 ( 4.464 0.063 8.795) 9.863 7.642 ( 1.360 4.475 -4.824) 6.719 7.869 ( 6.355 1.571 1.677) 6.758 7.974 ( -1.715 -2.516 6.985) 7.620 8.049 ( 7.980 2.609 3.140) 8.964 11.386 ( 1.438 2.608 -0.308) 2.994 11.464 ( 0.082 0.044 -2.699) 2.701 11.555 ( 5.894 4.033 4.682) 8.539 11.770 ( -0.240 -3.662 7.914) 8.723 13.376 ( 1.689 3.124 2.093) 4.122 13.447 ( 5.247 3.094 0.001) 6.092 13.519 ( -1.162 -1.791 9.248) 9.491 13.714 ( 6.118 4.746 3.239) 8.393 14.719 ( -1.429 -0.758 -4.167) 4.470 14.747 ( -1.256 -0.711 -5.454) 5.642 14.778 ( -3.690 1.037 -12.709) 13.274 15.385 ( -11.400 -11.723 1.464) 16.417 ======================= Grid point 307 (146/160) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.046 2.896 -4.422) 5.668 1.048 ( -0.400 0.778 5.619) 5.687 1.148 ( -2.814 4.230 5.179) 7.255 1.326 ( -4.814 -1.178 0.260) 4.963 1.404 ( 1.484 -2.565 -1.482) 3.313 1.486 ( -0.578 -1.454 1.375) 2.083 1.643 ( -0.655 -5.879 -3.811) 7.037 1.703 ( 0.575 1.729 -0.446) 1.876 1.727 ( 0.181 -0.957 0.121) 0.981 1.767 ( -2.161 -1.549 5.389) 6.010 1.969 ( 0.062 -6.150 -2.964) 6.828 2.124 ( -1.166 -4.727 5.748) 7.533 2.265 ( -0.843 5.301 -5.412) 7.622 2.395 ( 0.032 4.653 -5.529) 7.226 2.474 ( -4.201 1.283 0.723) 4.452 2.528 ( 0.209 -0.912 -7.893) 7.948 2.734 ( 2.490 5.855 1.938) 6.651 2.877 ( -0.333 2.757 -9.322) 9.727 2.948 ( 1.261 -1.310 -6.490) 6.740 3.059 ( 2.983 4.156 -2.216) 5.575 3.188 ( 2.403 0.900 -1.471) 2.958 3.352 ( 3.804 2.964 -4.009) 6.271 3.724 ( 0.682 -1.214 0.903) 1.659 3.742 ( -1.534 -1.302 -0.951) 2.225 3.942 ( -1.964 1.407 0.081) 2.417 3.960 ( 1.682 -4.343 -3.590) 5.881 4.253 ( -4.781 -2.368 1.546) 5.555 4.354 ( -0.639 2.250 -4.487) 5.060 4.421 ( -1.736 -2.324 -1.329) 3.191 4.519 ( -2.674 -4.710 0.218) 5.421 4.729 ( -0.476 -0.862 1.935) 2.171 4.790 ( -3.483 -2.773 1.831) 4.814 4.982 ( -3.196 -1.448 -3.318) 4.829 5.131 ( 0.303 1.477 -1.911) 2.434 5.270 ( 2.708 1.302 4.010) 5.011 5.423 ( -0.668 -2.996 1.425) 3.384 6.224 ( -1.297 -0.148 -3.852) 4.068 6.434 ( -6.198 -5.512 -2.323) 8.613 6.688 ( -1.419 -0.963 -0.769) 1.879 6.803 ( -3.261 -4.850 -1.298) 5.987 6.941 ( 5.169 4.143 0.289) 6.631 7.061 ( 3.548 3.164 5.154) 7.012 7.393 ( 1.966 2.328 0.641) 3.114 7.588 ( -1.372 5.613 -4.314) 7.211 7.632 ( 6.722 -1.997 6.772) 9.748 8.002 ( 4.488 2.923 4.881) 7.246 8.008 ( -1.769 -1.649 4.996) 5.551 8.177 ( 4.366 4.926 2.167) 6.930 11.391 ( 0.771 1.412 -1.751) 2.378 11.427 ( -0.751 -0.187 -2.345) 2.470 11.724 ( 6.855 8.485 5.588) 12.256 11.853 ( 0.493 3.325 6.594) 7.401 13.399 ( 0.893 4.245 -1.868) 4.723 13.536 ( 2.013 5.011 3.012) 6.184 13.596 ( -4.121 1.131 12.993) 13.678 13.831 ( 1.387 6.182 5.121) 8.146 14.490 ( 4.727 -11.062 -21.090) 24.279 14.722 ( 0.429 -0.579 -0.825) 1.095 14.751 ( -0.637 -0.633 0.041) 0.899 15.178 ( -12.657 -18.314 -3.070) 22.472 ======================= Grid point 308 (147/160) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 7.867 0.567 -3.088) 8.470 1.146 ( 0.165 -1.800 8.752) 8.937 1.224 ( 3.939 4.638 6.692) 9.045 1.265 ( -3.856 0.592 3.727) 5.395 1.407 ( 1.351 -2.749 -1.636) 3.473 1.469 ( -2.755 0.547 1.368) 3.124 1.541 ( -4.084 -5.570 -5.293) 8.702 1.650 ( -8.035 4.174 1.743) 9.221 1.692 ( 0.316 -1.496 -7.268) 7.427 1.765 ( -3.521 -1.532 0.082) 3.841 1.974 ( 3.323 -2.674 -1.917) 4.676 2.054 ( -5.824 -0.891 0.232) 5.896 2.241 ( 0.856 0.487 -5.688) 5.773 2.322 ( -4.604 -0.382 -6.472) 7.952 2.420 ( 0.539 -0.269 3.330) 3.384 2.510 ( 3.717 -1.889 -5.401) 6.823 2.775 ( 3.491 -0.956 -5.561) 6.635 2.807 ( 2.783 5.708 2.198) 6.720 2.945 ( 3.334 0.705 -0.727) 3.484 3.130 ( -0.854 -3.638 -3.910) 5.409 3.194 ( 9.304 -2.618 -0.526) 9.679 3.426 ( 4.474 6.371 1.899) 8.013 3.680 ( -7.820 -1.030 1.780) 8.086 3.723 ( -0.361 0.485 -2.455) 2.528 3.878 ( -1.866 -4.425 -0.005) 4.803 3.964 ( 0.642 -6.051 -2.456) 6.562 4.187 ( -5.181 -5.995 1.943) 8.158 4.254 ( -7.143 -8.324 -2.154) 11.178 4.374 ( -0.038 -1.632 -1.594) 2.282 4.446 ( -5.527 -5.094 0.198) 7.519 4.751 ( 2.316 2.658 -0.339) 3.541 4.795 ( -0.239 0.953 1.339) 1.661 4.965 ( 3.163 3.322 0.017) 4.587 5.104 ( -1.048 1.043 -2.394) 2.814 5.344 ( 1.446 1.361 3.186) 3.754 5.415 ( -0.270 -0.309 -1.384) 1.443 6.199 ( 1.591 -3.066 -1.273) 3.682 6.321 ( -5.304 -5.705 -1.426) 7.919 6.678 ( 0.072 -3.192 0.526) 3.235 6.743 ( -2.535 -4.955 -1.154) 5.684 7.037 ( 5.324 6.501 2.096) 8.660 7.155 ( 0.968 7.072 3.361) 7.889 7.431 ( 3.855 5.422 -2.620) 7.151 7.514 ( -3.145 5.352 -1.639) 6.420 7.800 ( 7.640 -3.428 2.880) 8.855 7.996 ( -5.872 -4.348 4.957) 8.830 8.129 ( 5.028 6.974 2.754) 9.028 8.232 ( 0.661 6.702 0.619) 6.763 11.379 ( 0.505 0.232 -1.744) 1.830 11.394 ( -0.969 -0.474 -1.084) 1.529 11.868 ( 5.213 13.675 2.709) 14.884 11.923 ( 0.238 11.299 4.261) 12.078 13.384 ( 0.854 4.573 -1.734) 4.965 13.514 ( -6.960 7.854 1.685) 10.629 13.699 ( 1.129 1.184 8.142) 8.305 13.843 ( -4.246 0.240 2.708) 5.042 14.490 ( 16.326 -17.566 -10.876) 26.332 14.725 ( 1.001 -1.458 -0.604) 1.869 14.740 ( -0.746 -1.053 -0.301) 1.325 14.939 ( -13.573 -20.748 -2.343) 24.903 ======================= Grid point 309 (148/160) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -4.432 -2.858 -2.693) 5.921 1.092 ( 4.432 -2.858 2.693) 5.921 1.376 ( -5.660 2.154 -6.885) 9.169 1.376 ( 5.660 2.154 6.885) 9.169 1.388 ( -1.141 1.723 -7.544) 7.822 1.388 ( 1.141 1.723 7.544) 7.822 1.497 ( -3.988 -2.898 -3.439) 6.011 1.497 ( 3.988 -2.898 3.439) 6.011 1.682 ( 0.936 0.556 -5.366) 5.475 1.682 ( -0.936 0.556 5.366) 5.475 2.005 ( 2.336 -0.601 -3.441) 4.202 2.005 ( -2.336 -0.601 3.441) 4.202 2.218 ( -0.837 -2.440 -1.843) 3.170 2.218 ( 0.837 -2.440 1.843) 3.170 2.480 ( -0.429 -0.008 -4.007) 4.030 2.480 ( 0.429 -0.008 4.007) 4.030 2.822 ( 2.593 3.065 -3.648) 5.425 2.822 ( -2.593 3.065 3.648) 5.425 3.028 ( -5.214 -4.135 -1.919) 6.926 3.028 ( 5.214 -4.135 1.919) 6.926 3.390 ( -9.177 -3.486 -0.841) 9.852 3.390 ( 9.177 -3.486 0.841) 9.852 3.645 ( -2.081 4.315 -2.995) 5.650 3.645 ( 2.081 4.315 2.995) 5.650 3.917 ( -2.791 -8.063 -2.593) 8.918 3.917 ( 2.791 -8.063 2.593) 8.918 4.162 ( 2.034 -7.718 -4.151) 8.996 4.162 ( -2.034 -7.718 4.151) 8.996 4.384 ( 1.935 -1.715 -1.699) 3.094 4.384 ( -1.935 -1.715 1.699) 3.094 4.783 ( 0.921 2.084 -2.109) 3.105 4.783 ( -0.921 2.084 2.109) 3.105 5.042 ( -2.293 1.977 -3.022) 4.278 5.042 ( 2.293 1.977 3.022) 4.278 5.388 ( -0.443 1.111 -2.383) 2.666 5.388 ( 0.443 1.111 2.383) 2.666 6.238 ( -1.398 -5.144 -1.938) 5.672 6.238 ( 1.398 -5.144 1.938) 5.672 6.699 ( 1.090 -4.475 -3.137) 5.573 6.699 ( -1.090 -4.475 3.137) 5.573 7.138 ( -2.830 8.615 -2.204) 9.332 7.138 ( 2.830 8.615 2.204) 9.332 7.463 ( 4.366 5.433 -3.008) 7.591 7.463 ( -4.366 5.433 3.008) 7.591 7.928 ( -4.576 -4.273 0.289) 6.268 7.928 ( 4.576 -4.273 -0.289) 6.268 8.213 ( -2.392 7.518 -1.310) 7.997 8.213 ( 2.392 7.518 1.310) 7.997 11.376 ( 0.576 -0.393 -0.502) 0.860 11.376 ( -0.576 -0.393 0.502) 0.860 11.938 ( 2.136 15.650 -1.033) 15.829 11.938 ( -2.136 15.650 1.033) 15.829 13.417 ( -1.606 5.652 -1.773) 6.137 13.417 ( 1.606 5.652 1.773) 6.137 13.789 ( 0.399 -1.186 -4.859) 5.017 13.789 ( -0.399 -1.186 4.859) 5.017 14.679 ( -11.138 -15.074 -0.242) 18.744 14.679 ( 11.138 -15.074 0.242) 18.744 14.746 ( 0.246 -6.050 -0.613) 6.086 14.746 ( -0.246 -6.050 0.613) 6.086 ======================= Grid point 315 (149/160) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.324 -11.978 -5.628) 13.238 0.868 ( 0.324 -11.978 5.628) 13.238 1.288 ( -3.243 5.309 -2.773) 6.811 1.288 ( 3.243 5.309 2.773) 6.811 1.463 ( -2.734 0.203 -1.260) 3.017 1.463 ( 2.734 0.203 1.260) 3.017 1.530 ( 0.490 0.814 -5.310) 5.394 1.530 ( -0.490 0.814 5.310) 5.394 1.734 ( -4.363 -4.061 -2.744) 6.562 1.734 ( 4.363 -4.061 2.744) 6.562 2.027 ( -2.594 -0.315 -4.339) 5.065 2.027 ( 2.594 -0.315 4.339) 5.065 2.402 ( -3.663 -2.522 -4.468) 6.304 2.402 ( 3.663 -2.522 4.468) 6.304 2.868 ( -0.407 3.926 -1.532) 4.233 2.868 ( 0.407 3.926 1.532) 4.233 2.969 ( -1.820 5.347 -3.048) 6.418 2.969 ( 1.820 5.347 3.048) 6.418 3.081 ( 0.121 2.301 -1.347) 2.669 3.081 ( -0.121 2.301 1.347) 2.669 3.357 ( 0.212 7.354 -10.295) 12.653 3.357 ( -0.212 7.354 10.295) 12.653 3.811 ( 3.830 0.055 -6.601) 7.632 3.811 ( -3.830 0.055 6.601) 7.632 4.130 ( -5.594 7.988 -1.473) 9.863 4.130 ( 5.594 7.988 1.473) 9.863 4.413 ( -0.872 9.386 -1.582) 9.558 4.413 ( 0.872 9.386 1.582) 9.558 4.622 ( -1.802 -1.819 -5.040) 5.654 4.622 ( 1.802 -1.819 5.040) 5.654 4.786 ( -0.094 -4.989 -5.553) 7.466 4.786 ( 0.094 -4.989 5.553) 7.466 4.941 ( -0.017 -0.209 -9.659) 9.662 4.941 ( 0.017 -0.209 9.659) 9.662 5.194 ( 0.741 -10.587 -4.620) 11.575 5.194 ( -0.741 -10.587 4.620) 11.575 6.492 ( 0.790 -1.344 -3.177) 3.539 6.492 ( -0.790 -1.344 3.177) 3.539 6.719 ( 1.170 0.072 -0.753) 1.393 6.719 ( -1.170 0.072 0.753) 1.393 7.115 ( -1.201 5.273 -8.145) 9.777 7.115 ( 1.201 5.273 8.145) 9.777 7.422 ( -11.525 -0.909 -2.843) 11.905 7.422 ( 11.525 -0.909 2.843) 11.905 7.560 ( -8.252 -5.163 -4.852) 10.876 7.560 ( 8.252 -5.163 4.852) 10.876 7.847 ( -0.503 0.320 -2.596) 2.663 7.847 ( 0.503 0.320 2.596) 2.663 11.374 ( -0.585 0.696 -0.836) 1.235 11.374 ( 0.585 0.696 0.836) 1.235 11.559 ( -0.072 -1.140 -2.419) 2.675 11.559 ( 0.072 -1.140 2.419) 2.675 13.311 ( 1.608 -0.938 -1.108) 2.167 13.311 ( -1.608 -0.938 1.108) 2.167 13.473 ( -1.171 -1.029 -3.158) 3.522 13.473 ( 1.171 -1.029 3.158) 3.522 14.750 ( -0.001 -0.085 -0.460) 0.467 14.750 ( 0.001 -0.085 0.460) 0.467 15.423 ( -0.266 2.706 -8.708) 9.122 15.423 ( 0.266 2.706 8.708) 9.122 ======================= Grid point 317 (150/160) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.985 -9.627 0.449) 9.688 0.951 ( 1.124 -11.865 5.835) 13.270 1.235 ( -1.773 4.129 1.574) 4.761 1.341 ( -1.084 0.238 0.805) 1.371 1.431 ( 0.040 2.770 -0.635) 2.842 1.498 ( 2.022 5.927 -1.720) 6.494 1.535 ( 2.403 -1.698 0.109) 2.944 1.576 ( 0.391 -0.824 2.876) 3.017 1.661 ( -1.565 0.235 1.278) 2.035 1.803 ( -0.182 -3.201 1.029) 3.367 1.924 ( -1.728 -3.699 -2.451) 4.762 2.005 ( -5.840 -4.508 -2.992) 7.961 2.371 ( 1.462 2.350 1.599) 3.196 2.507 ( 1.613 -3.280 4.267) 5.619 2.796 ( -2.966 5.281 -4.985) 7.844 2.846 ( -2.306 5.127 0.355) 5.633 2.898 ( -3.074 8.815 -4.046) 10.175 3.038 ( 2.070 1.568 2.310) 3.475 3.061 ( -0.550 3.163 -1.364) 3.488 3.089 ( 1.060 3.286 -0.596) 3.504 3.272 ( 2.262 6.145 -10.508) 12.381 3.490 ( 3.078 5.763 7.216) 9.734 3.714 ( -1.834 -0.627 -12.441) 12.591 3.777 ( -4.805 -1.047 2.365) 5.457 4.006 ( -6.716 7.231 -1.240) 9.946 4.161 ( -1.266 2.616 -2.147) 3.613 4.403 ( -0.745 6.500 -2.248) 6.918 4.466 ( 3.174 7.144 0.008) 7.817 4.528 ( -2.466 -0.289 -4.434) 5.082 4.636 ( -2.643 0.212 -4.945) 5.611 4.665 ( -4.082 -6.580 -1.135) 7.826 4.801 ( -2.904 -3.939 5.005) 7.000 4.923 ( 4.728 -2.620 -4.134) 6.805 5.077 ( 3.557 1.924 5.458) 6.792 5.177 ( 0.942 -8.399 -0.065) 8.452 5.239 ( -1.219 -7.727 7.015) 10.507 6.446 ( -2.206 0.045 -3.517) 4.152 6.493 ( -3.016 -2.824 2.103) 4.636 6.728 ( 1.401 -0.597 0.307) 1.554 6.747 ( 3.337 -0.948 -1.018) 3.615 7.023 ( -1.544 6.265 -5.195) 8.284 7.174 ( -12.120 2.838 -1.960) 12.601 7.253 ( 3.465 -0.827 5.705) 6.726 7.386 ( -7.950 -4.378 3.902) 9.878 7.630 ( 11.395 1.445 -0.768) 11.512 7.780 ( 7.287 -3.544 2.441) 8.462 7.851 ( 5.142 1.028 0.761) 5.299 7.901 ( 3.194 -0.800 3.102) 4.524 11.395 ( 1.986 1.821 1.834) 3.260 11.435 ( 3.887 -0.042 1.680) 4.235 11.530 ( 0.219 1.156 -0.583) 1.313 11.606 ( 2.310 -2.788 3.118) 4.778 13.336 ( 1.904 -0.418 2.295) 3.012 13.364 ( 6.470 -1.326 -1.623) 6.801 13.453 ( 0.579 1.309 1.274) 1.917 13.571 ( 5.319 -2.641 4.932) 7.719 14.740 ( -0.499 0.130 -0.481) 0.705 14.751 ( -0.303 -0.363 0.128) 0.490 15.214 ( -10.439 6.540 -12.848) 17.799 15.407 ( -10.508 -3.242 2.983) 11.394 ======================= Grid point 318 (151/160) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.324 -4.947 5.673) 7.534 1.014 ( 0.830 -5.067 2.747) 5.823 1.262 ( -0.978 -1.071 4.194) 4.437 1.309 ( -3.881 -2.018 3.372) 5.523 1.382 ( -0.894 4.033 -3.204) 5.228 1.504 ( 1.568 4.782 -3.043) 5.881 1.554 ( 3.499 -0.613 -3.771) 5.180 1.655 ( 2.000 -1.323 4.064) 4.719 1.692 ( 0.249 1.403 3.658) 3.925 1.761 ( -3.627 -2.220 -0.629) 4.299 1.875 ( -2.984 -5.748 -1.839) 6.732 1.953 ( 1.827 -5.819 2.985) 6.791 2.400 ( -0.856 3.162 0.539) 3.319 2.523 ( -2.924 -1.726 0.814) 3.492 2.668 ( -3.052 7.851 -9.299) 12.546 2.757 ( -6.089 4.688 -5.972) 9.732 2.861 ( 0.022 11.112 2.633) 11.420 3.023 ( -1.414 5.098 -2.341) 5.785 3.065 ( 0.369 1.856 -3.083) 3.618 3.133 ( 0.471 -0.711 -1.583) 1.798 3.165 ( 2.572 4.924 -6.485) 8.539 3.472 ( -6.706 3.857 -6.892) 10.360 3.628 ( 3.698 -4.766 -1.608) 6.243 3.745 ( -1.284 -2.655 -0.521) 2.995 3.922 ( -2.038 2.386 -0.352) 3.157 4.077 ( -5.526 0.713 -2.361) 6.052 4.280 ( -7.205 -4.038 -5.174) 9.746 4.433 ( -7.857 -7.156 -2.380) 10.891 4.469 ( -1.515 2.485 -3.850) 4.827 4.513 ( -0.628 0.550 -2.528) 2.662 4.699 ( 2.943 2.867 1.915) 4.533 4.787 ( -2.692 -1.400 1.701) 3.478 4.963 ( 3.292 -1.031 -0.666) 3.513 5.136 ( -0.284 -3.299 0.948) 3.444 5.223 ( 3.352 1.409 2.913) 4.659 5.325 ( 2.237 -2.650 5.031) 6.110 6.345 ( -4.661 0.998 -4.392) 6.482 6.435 ( -5.317 -4.631 -0.715) 7.088 6.739 ( -0.335 -0.320 -2.304) 2.350 6.775 ( 0.787 -2.566 -2.017) 3.358 6.966 ( -0.369 4.219 -0.195) 4.239 7.024 ( -2.461 1.684 1.655) 3.410 7.351 ( 1.954 0.302 4.409) 4.832 7.438 ( 4.038 -1.428 7.688) 8.801 7.716 ( 2.924 3.910 -3.694) 6.122 7.884 ( 2.347 -2.656 4.203) 5.498 7.950 ( 6.199 2.517 2.525) 7.151 8.068 ( 9.736 -0.849 3.700) 10.450 11.427 ( 0.579 1.411 -0.830) 1.736 11.454 ( -0.048 -0.618 -2.276) 2.358 11.639 ( 8.849 4.151 6.008) 11.473 11.730 ( 6.106 -1.070 7.346) 9.612 13.399 ( 2.115 -0.590 2.076) 3.022 13.443 ( 3.738 -3.105 1.288) 5.027 13.536 ( 5.728 4.952 3.450) 8.321 13.743 ( 9.168 -2.390 4.856) 10.646 14.719 ( -2.673 0.443 -1.431) 3.065 14.738 ( -1.239 -0.433 -1.409) 1.926 14.846 ( -14.191 6.287 -13.567) 20.615 15.178 ( -18.163 -9.718 -1.937) 20.691 ======================= Grid point 319 (152/160) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.530 1.281 5.243) 5.610 1.052 ( -0.892 -0.580 5.010) 5.121 1.260 ( -2.941 5.346 2.381) 6.550 1.293 ( -1.033 -1.275 3.334) 3.716 1.401 ( 0.631 -0.054 -0.291) 0.697 1.492 ( -0.129 3.239 -3.041) 4.444 1.522 ( 0.889 -6.066 -4.695) 7.722 1.689 ( 0.610 -1.327 0.121) 1.466 1.714 ( -0.184 -2.232 1.749) 2.842 1.721 ( -2.950 -3.841 0.958) 4.936 1.870 ( 1.747 -1.102 1.345) 2.465 2.027 ( 0.546 -5.713 3.576) 6.762 2.354 ( -1.109 4.156 -4.431) 6.175 2.467 ( -1.721 -0.330 -2.200) 2.813 2.515 ( -2.466 5.065 -9.293) 10.867 2.564 ( -7.680 2.798 -8.772) 11.990 2.893 ( -2.796 4.662 -6.436) 8.425 2.904 ( -2.121 8.186 -2.994) 8.971 2.979 ( -0.731 4.343 -1.723) 4.729 3.101 ( -0.911 -0.363 2.023) 2.248 3.184 ( -2.691 -2.567 -7.176) 8.082 3.388 ( 3.725 -0.805 2.786) 4.721 3.675 ( 2.266 -2.953 1.005) 3.856 3.704 ( -2.631 -2.827 -1.070) 4.007 3.905 ( -0.855 -1.260 -3.059) 3.417 3.957 ( -6.371 -0.931 0.704) 6.477 4.128 ( -6.154 -7.214 -2.253) 9.747 4.228 ( -9.851 -10.326 -5.156) 15.174 4.425 ( -0.614 2.767 -2.016) 3.478 4.478 ( -2.929 0.049 -0.328) 2.948 4.754 ( 3.192 2.090 -0.098) 3.817 4.783 ( -0.537 0.314 1.379) 1.513 5.001 ( 2.416 2.867 -0.557) 3.790 5.135 ( 0.292 -1.473 -1.026) 1.819 5.309 ( 3.016 2.678 2.831) 4.928 5.392 ( 1.484 -1.128 1.735) 2.547 6.225 ( -3.820 0.411 -3.987) 5.537 6.323 ( -6.029 -5.161 -2.347) 8.275 6.679 ( -2.089 -0.038 -2.575) 3.316 6.726 ( -2.620 -2.941 -2.274) 4.548 7.026 ( 4.589 4.537 4.018) 7.602 7.121 ( 5.345 1.705 6.871) 8.870 7.448 ( 5.382 3.244 1.645) 6.496 7.590 ( 5.781 -2.683 4.079) 7.566 7.688 ( -1.060 5.377 -2.651) 6.088 7.915 ( -3.165 -5.437 4.339) 7.643 8.114 ( 8.460 5.781 3.198) 10.734 8.235 ( 6.464 0.798 2.858) 7.112 11.408 ( -0.329 0.468 -2.137) 2.213 11.421 ( -0.470 -0.309 -2.646) 2.705 11.884 ( 11.410 7.344 8.019) 15.761 11.939 ( 8.852 4.403 8.192) 12.840 13.434 ( 1.555 -0.045 -0.986) 1.842 13.523 ( -0.629 -5.445 8.074) 9.759 13.653 ( 4.719 7.281 1.149) 8.753 13.950 ( 10.374 -0.503 3.859) 11.080 14.359 ( -16.786 1.823 -17.235) 24.127 14.707 ( -1.639 -1.920 -1.193) 2.792 14.740 ( -1.163 -0.428 -0.163) 1.250 14.849 ( -17.780 -14.304 -2.643) 22.972 ======================= Grid point 320 (153/160) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 3.206 5.121 -1.376) 6.197 1.110 ( 0.330 -0.654 5.805) 5.851 1.237 ( -3.299 -1.996 3.474) 5.190 1.342 ( -0.338 3.002 -0.071) 3.022 1.393 ( -1.294 -3.800 2.052) 4.508 1.407 ( 1.862 1.831 -0.418) 2.645 1.528 ( 0.205 1.948 -0.522) 2.027 1.653 ( -2.234 -3.141 -2.137) 4.407 1.720 ( -2.629 1.869 1.130) 3.418 1.724 ( -0.190 -1.527 -0.653) 1.672 1.908 ( 2.012 -2.551 1.383) 3.531 2.009 ( -4.313 -4.010 0.858) 5.951 2.260 ( -0.273 1.680 -11.536) 11.661 2.321 ( -5.366 -0.337 -12.447) 13.559 2.441 ( 2.312 2.044 0.511) 3.128 2.494 ( 2.557 0.625 0.439) 2.668 2.734 ( -0.689 -0.441 -6.209) 6.262 2.925 ( -6.494 1.640 1.449) 6.853 2.955 ( 1.736 2.776 0.461) 3.307 3.047 ( -2.258 -3.162 -3.354) 5.133 3.130 ( 2.732 -3.346 1.069) 4.450 3.437 ( -9.567 -10.178 3.981) 14.525 3.671 ( 4.451 3.018 -2.442) 5.906 3.730 ( 2.555 -0.131 2.687) 3.711 3.803 ( -5.369 -1.586 -0.628) 5.634 3.916 ( -1.218 0.572 -2.489) 2.830 4.044 ( -3.397 -6.533 0.713) 7.398 4.071 ( -2.999 -6.843 -4.045) 8.496 4.397 ( -0.190 1.972 -1.793) 2.672 4.425 ( -3.474 0.447 0.394) 3.525 4.785 ( 0.226 0.487 0.683) 0.869 4.797 ( 1.397 -0.381 -0.457) 1.518 5.034 ( 2.322 3.596 0.190) 4.284 5.116 ( -0.519 -0.047 -1.994) 2.061 5.374 ( 1.769 1.776 2.066) 3.248 5.415 ( 0.481 -0.004 -0.019) 0.482 6.152 ( -0.934 -1.494 -2.133) 2.767 6.214 ( -4.602 -4.768 -1.666) 6.832 6.638 ( -0.622 -1.062 -0.923) 1.539 6.668 ( -1.999 -2.751 -1.318) 3.647 7.170 ( 6.163 6.858 5.506) 10.739 7.275 ( 3.347 4.123 6.333) 8.265 7.529 ( 4.516 4.134 -2.180) 6.499 7.595 ( -0.602 3.032 -6.380) 7.089 7.741 ( 4.050 -1.844 4.486) 6.319 7.893 ( -5.369 -6.050 4.039) 9.041 8.259 ( 5.688 5.785 2.287) 8.429 8.328 ( 2.325 2.838 1.317) 3.898 11.381 ( -0.132 0.048 -1.718) 1.724 11.387 ( -0.679 -0.207 -1.574) 1.727 12.140 ( 9.650 12.929 6.186) 17.278 12.160 ( 7.903 11.653 6.078) 15.336 13.430 ( 0.572 0.419 -1.779) 1.915 13.568 ( -6.437 -4.116 7.015) 10.372 13.701 ( 1.341 2.839 0.559) 3.189 13.936 ( -11.812 4.599 -10.106) 16.211 14.166 ( 13.579 -11.101 -3.734) 17.932 14.535 ( -14.422 -17.878 -0.024) 22.970 14.718 ( -0.512 -0.455 -0.334) 0.762 14.727 ( -1.091 -1.016 0.115) 1.495 ======================= Grid point 321 (154/160) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.875 1.654 -5.382) 5.698 1.078 ( -0.875 1.654 5.382) 5.698 1.279 ( -0.644 -6.817 -5.457) 8.756 1.279 ( 0.644 -6.817 5.457) 8.756 1.472 ( -2.143 4.015 -0.373) 4.566 1.472 ( 2.143 4.015 0.373) 4.566 1.539 ( -4.277 2.843 -6.953) 8.644 1.539 ( 4.277 2.843 6.953) 8.644 1.698 ( 3.145 2.430 -6.258) 7.413 1.698 ( -3.145 2.430 6.258) 7.413 1.962 ( 1.163 -3.889 -1.555) 4.347 1.962 ( -1.163 -3.889 1.555) 4.347 2.184 ( 1.489 -1.046 -0.804) 1.990 2.184 ( -1.489 -1.046 0.804) 1.990 2.502 ( -0.403 2.498 -2.653) 3.666 2.502 ( 0.403 2.498 2.653) 3.666 2.771 ( -8.002 -6.404 0.094) 10.250 2.771 ( 8.002 -6.404 -0.094) 10.250 3.012 ( -1.983 2.042 -1.001) 3.017 3.012 ( 1.983 2.042 1.001) 3.017 3.248 ( -11.445 -9.741 -0.011) 15.029 3.248 ( 11.445 -9.741 0.011) 15.029 3.733 ( 4.363 2.401 -2.361) 5.511 3.733 ( -4.363 2.401 2.361) 5.511 3.834 ( -2.670 1.027 -5.020) 5.778 3.834 ( 2.670 1.027 5.020) 5.778 4.027 ( 1.501 -5.497 -2.840) 6.367 4.027 ( -1.501 -5.497 2.840) 6.367 4.390 ( 1.788 0.944 -1.278) 2.392 4.390 ( -1.788 0.944 1.278) 2.392 4.797 ( 0.630 -0.389 -1.763) 1.912 4.797 ( -0.630 -0.389 1.763) 1.912 5.078 ( -1.572 1.684 -1.664) 2.842 5.078 ( 1.572 1.684 1.664) 2.842 5.409 ( -0.470 0.962 -1.123) 1.552 5.409 ( 0.470 0.962 1.123) 1.552 6.150 ( -0.525 -3.524 -1.020) 3.706 6.150 ( 0.525 -3.524 1.020) 3.706 6.636 ( 0.618 -2.059 -1.502) 2.622 6.636 ( -0.618 -2.059 1.502) 2.622 7.304 ( -2.899 7.768 -2.517) 8.665 7.304 ( 2.899 7.768 2.517) 8.665 7.545 ( 2.744 2.788 -3.439) 5.209 7.545 ( -2.744 2.788 3.439) 5.209 7.836 ( -5.508 -4.692 1.187) 7.333 7.836 ( 5.508 -4.692 -1.187) 7.333 8.335 ( -1.757 4.653 -0.640) 5.015 8.335 ( 1.757 4.653 0.640) 5.015 11.371 ( 0.320 -0.122 -0.238) 0.417 11.371 ( -0.320 -0.122 0.238) 0.417 12.266 ( 0.587 16.556 -0.602) 16.577 12.266 ( -0.587 16.556 0.602) 16.577 13.466 ( -0.811 -1.100 -3.929) 4.160 13.466 ( 0.811 -1.100 3.929) 4.160 13.757 ( -0.367 -2.425 -7.707) 8.088 13.757 ( 0.367 -2.425 7.707) 8.088 14.341 ( -5.110 -13.468 -1.433) 14.476 14.341 ( 5.110 -13.468 1.433) 14.476 14.716 ( -0.148 -0.697 -0.014) 0.713 14.716 ( 0.148 -0.697 0.014) 0.713 ======================= Grid point 327 (155/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.000 0.000 -0.000) 0.000 0.726 ( -0.000 0.000 0.000) 0.000 1.351 ( -0.000 -0.000 -0.000) 0.000 1.351 ( 0.000 -0.000 0.000) 0.000 1.455 ( -0.000 0.000 -0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 -0.000 -0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.667 ( -0.000 -0.000 -0.000) 0.000 1.667 ( -0.000 0.000 0.000) 0.000 2.030 ( -0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.374 ( -0.000 0.000 0.000) 0.000 2.906 ( -0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.003 ( -0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.108 ( -0.000 0.000 0.000) 0.000 3.108 ( -0.000 0.000 0.000) 0.000 3.454 ( -0.000 -0.000 0.000) 0.000 3.454 ( -0.000 0.000 0.000) 0.000 3.809 ( -0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 4.232 ( -0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.539 ( -0.000 -0.000 -0.000) 0.000 4.539 ( -0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 -0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.962 ( -0.000 0.000 -0.000) 0.000 4.962 ( 0.000 -0.000 0.000) 0.000 5.044 ( -0.000 0.000 -0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 6.478 ( -0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 7.172 ( -0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 -0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.469 ( -0.000 -0.000 -0.000) 0.000 7.469 ( -0.000 0.000 -0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 11.381 ( 0.000 0.000 0.000) 0.000 11.381 ( -0.000 0.000 0.000) 0.000 11.550 ( -0.000 0.000 0.000) 0.000 11.550 ( -0.000 0.000 0.000) 0.000 13.300 ( -0.000 0.000 0.000) 0.000 13.300 ( -0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 14.749 ( 0.000 0.000 0.000) 0.000 15.451 ( 0.000 0.000 0.000) 0.000 15.451 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 331 (156/160) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 1.830 -3.772 5.421) 6.853 0.772 ( 1.830 3.772 5.421) 6.853 1.312 ( -2.821 -3.124 -0.604) 4.252 1.312 ( -2.821 3.124 -0.604) 4.252 1.487 ( 1.392 -2.638 -1.281) 3.246 1.487 ( 1.392 2.638 -1.281) 3.246 1.569 ( 0.375 -1.319 3.731) 3.975 1.569 ( 0.375 1.319 3.731) 3.975 1.715 ( 2.612 -5.408 2.166) 6.385 1.715 ( 2.612 5.408 2.166) 6.385 1.924 ( -5.976 -3.232 -5.694) 8.864 1.924 ( -5.976 3.232 -5.694) 8.864 2.434 ( 2.117 -3.872 3.756) 5.796 2.434 ( 2.117 3.872 3.756) 5.796 2.868 ( -2.428 -2.022 -1.912) 3.693 2.868 ( -2.428 2.022 -1.912) 3.693 3.006 ( 0.873 -3.373 -1.311) 3.723 3.006 ( 0.873 3.373 -1.311) 3.723 3.110 ( -0.226 -1.058 0.447) 1.171 3.110 ( -0.226 1.058 0.447) 1.171 3.467 ( 4.949 -8.971 -7.587) 12.749 3.467 ( 4.949 8.971 -7.587) 12.749 3.737 ( -6.702 -2.865 -0.887) 7.342 3.737 ( -6.702 2.865 -0.887) 7.342 4.148 ( -7.624 -5.550 -1.943) 9.628 4.148 ( -7.624 5.550 -1.943) 9.628 4.474 ( -9.385 -3.404 -1.147) 10.049 4.474 ( -9.385 3.404 -1.147) 10.049 4.560 ( -0.035 -3.358 -4.032) 5.247 4.560 ( -0.035 3.358 -4.032) 5.247 4.717 ( 1.646 -5.042 2.167) 5.729 4.717 ( 1.646 5.042 2.167) 5.729 4.979 ( 3.738 -8.642 -2.834) 9.833 4.979 ( 3.738 8.642 -2.834) 9.833 5.136 ( 4.525 -3.838 6.763) 8.997 5.136 ( 4.525 3.838 6.763) 8.997 6.454 ( -3.128 -1.143 -0.238) 3.338 6.454 ( -3.128 1.143 -0.238) 3.338 6.730 ( 1.728 -0.626 -0.621) 1.940 6.730 ( 1.728 0.626 -0.621) 1.940 7.139 ( -3.881 -4.753 -6.000) 8.582 7.139 ( -3.881 4.753 -6.000) 8.582 7.299 ( -4.468 -4.213 6.384) 8.858 7.299 ( -4.468 4.213 6.384) 8.858 7.693 ( 11.072 -4.630 2.307) 12.221 7.693 ( 11.072 4.630 2.307) 12.221 7.879 ( 3.577 -1.471 1.126) 4.029 7.879 ( 3.577 1.471 1.126) 4.029 11.423 ( 2.478 -1.044 1.993) 3.347 11.423 ( 2.478 1.044 1.993) 3.347 11.563 ( 2.459 -1.939 0.917) 3.263 11.563 ( 2.459 1.939 0.917) 3.263 13.337 ( 4.008 -0.887 -0.171) 4.108 13.337 ( 4.008 0.887 -0.171) 4.108 13.506 ( 3.503 -3.547 3.630) 6.167 13.506 ( 3.503 3.547 3.630) 6.167 14.744 ( -0.459 -0.313 -0.148) 0.575 14.744 ( -0.459 0.313 -0.148) 0.575 15.329 ( -11.812 -5.027 -4.778) 13.698 15.329 ( -11.812 5.027 -4.778) 13.698 ======================= Grid point 333 (157/160) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 2.701 -4.993 8.025) 9.830 0.888 ( 2.701 4.993 8.025) 9.830 1.273 ( -3.169 -1.739 2.918) 4.646 1.273 ( -3.169 1.739 2.918) 4.646 1.462 ( 0.710 -3.969 -4.543) 6.074 1.462 ( 0.710 3.969 -4.543) 6.074 1.630 ( 1.743 -2.070 1.444) 3.068 1.630 ( 1.743 2.070 1.444) 3.068 1.729 ( -4.555 -2.927 -0.420) 5.431 1.729 ( -4.555 2.927 -0.420) 5.431 1.843 ( 2.262 -4.047 1.218) 4.794 1.843 ( 2.262 4.047 1.218) 4.794 2.469 ( -1.415 -3.531 0.965) 3.925 2.469 ( -1.415 3.531 0.965) 3.925 2.770 ( -3.944 -2.927 -7.955) 9.349 2.770 ( -3.944 2.927 -7.955) 9.349 3.022 ( 1.442 -4.703 0.249) 4.925 3.022 ( 1.442 4.703 0.249) 4.925 3.110 ( 0.331 -2.530 -0.588) 2.618 3.110 ( 0.331 2.530 -0.588) 2.618 3.366 ( -4.672 -12.683 -9.756) 16.669 3.366 ( -4.672 12.683 -9.756) 16.669 3.661 ( -2.580 -6.078 0.981) 6.675 3.661 ( -2.580 6.078 0.981) 6.675 4.001 ( -7.861 -6.207 -0.435) 10.026 4.001 ( -7.861 6.207 -0.435) 10.026 4.283 ( -8.411 -5.336 -6.254) 11.761 4.283 ( -8.411 5.336 -6.254) 11.761 4.511 ( -1.598 -1.491 -2.116) 3.042 4.511 ( -1.598 1.491 -2.116) 3.042 4.762 ( 1.146 -2.489 1.075) 2.944 4.762 ( 1.146 2.489 1.075) 2.944 5.024 ( 3.303 -6.352 0.627) 7.187 5.024 ( 3.303 6.352 0.627) 7.187 5.273 ( 4.604 -2.900 3.920) 6.706 5.273 ( 4.604 2.900 3.920) 6.706 6.371 ( -5.598 -2.099 -2.103) 6.338 6.371 ( -5.598 2.099 -2.103) 6.338 6.743 ( 0.371 -0.850 -2.261) 2.444 6.743 ( 0.371 0.850 -2.261) 2.444 7.025 ( -2.195 -1.631 0.577) 2.795 7.025 ( -2.195 1.631 0.577) 2.795 7.389 ( 4.330 -3.070 5.692) 7.782 7.389 ( 4.330 3.070 5.692) 7.782 7.803 ( 1.797 -4.762 0.297) 5.099 7.803 ( 1.797 4.762 0.297) 5.099 8.021 ( 9.927 -3.615 3.430) 11.107 8.021 ( 9.927 3.615 3.430) 11.107 11.444 ( 0.054 -0.532 -1.546) 1.636 11.444 ( 0.054 0.532 -1.546) 1.636 11.702 ( 9.459 -2.228 6.777) 11.848 11.702 ( 9.459 2.228 6.777) 11.848 13.397 ( 2.941 -1.146 0.705) 3.234 13.397 ( 2.941 1.146 0.705) 3.234 13.650 ( 8.418 -6.142 4.155) 11.218 13.650 ( 8.418 6.142 4.155) 11.218 14.728 ( -1.422 -0.531 -0.527) 1.607 14.728 ( -1.422 0.531 -0.527) 1.607 14.999 ( -19.835 -8.821 -7.746) 23.049 14.999 ( -19.835 8.821 -7.746) 23.049 ======================= Grid point 335 (158/160) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 1.689 -3.523 7.212) 8.202 1.009 ( 1.689 3.523 7.212) 8.202 1.299 ( -0.219 -1.170 6.141) 6.255 1.299 ( -0.219 1.170 6.141) 6.255 1.416 ( -0.211 -3.553 -5.378) 6.449 1.416 ( -0.211 3.553 -5.378) 6.449 1.609 ( -2.384 -6.679 -3.620) 7.962 1.609 ( -2.384 6.679 -3.620) 7.962 1.681 ( 0.087 -0.704 1.492) 1.652 1.681 ( 0.087 0.704 1.492) 1.652 1.920 ( 1.610 -4.783 3.035) 5.889 1.920 ( 1.610 4.783 3.035) 5.889 2.429 ( -0.998 -3.269 -3.506) 4.896 2.429 ( -0.998 3.269 -3.506) 4.896 2.579 ( -5.186 -1.578 -11.672) 12.869 2.579 ( -5.186 1.578 -11.672) 12.869 3.012 ( -4.837 -7.573 -7.669) 11.814 3.012 ( -4.837 7.573 -7.669) 11.814 3.043 ( -2.759 -3.165 0.898) 4.294 3.043 ( -2.759 3.165 0.898) 4.294 3.243 ( -5.812 -12.490 3.697) 14.263 3.243 ( -5.812 12.490 3.697) 14.263 3.654 ( 1.566 -1.147 -0.139) 1.947 3.654 ( 1.566 1.147 -0.139) 1.947 3.912 ( -3.776 -2.106 0.415) 4.343 3.912 ( -3.776 2.106 0.415) 4.343 4.098 ( -4.938 -3.257 -6.912) 9.098 4.098 ( -4.938 3.257 -6.912) 9.098 4.467 ( -2.215 -1.372 -0.646) 2.685 4.467 ( -2.215 1.372 -0.646) 2.685 4.781 ( 0.831 -0.614 -0.059) 1.035 4.781 ( 0.831 0.614 -0.059) 1.035 5.075 ( 2.137 -4.167 0.150) 4.686 5.075 ( 2.137 4.167 0.150) 4.686 5.361 ( 2.589 -2.279 1.906) 3.941 5.361 ( 2.589 2.279 1.906) 3.941 6.250 ( -5.449 -2.387 -3.041) 6.681 6.250 ( -5.449 2.387 -3.041) 6.681 6.688 ( -2.303 -1.090 -2.845) 3.819 6.688 ( -2.303 1.090 -2.845) 3.819 7.104 ( 5.312 -3.065 6.370) 8.842 7.104 ( 5.312 3.065 6.370) 8.842 7.522 ( 6.112 -4.084 2.285) 7.698 7.522 ( 6.112 4.084 2.285) 7.698 7.801 ( -2.119 -6.104 0.836) 6.515 7.801 ( -2.119 6.104 0.836) 6.515 8.207 ( 8.194 -3.439 3.203) 9.446 8.207 ( 8.194 3.439 3.203) 9.446 11.415 ( -0.479 -0.359 -2.445) 2.517 11.415 ( -0.479 0.359 -2.445) 2.517 11.976 ( 13.297 -1.453 9.072) 16.162 11.976 ( 13.297 1.453 9.072) 16.162 13.443 ( 0.955 -2.084 1.899) 2.977 13.443 ( 0.955 2.084 1.899) 2.977 13.818 ( 8.487 -9.308 -0.505) 12.606 13.818 ( 8.487 9.308 -0.505) 12.606 14.534 ( -21.142 -12.518 -6.204) 25.341 14.534 ( -21.142 12.518 -6.204) 25.341 14.738 ( -2.314 -0.460 -0.703) 2.462 14.738 ( -2.314 0.460 -0.703) 2.462 ======================= Grid point 337 (159/160) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.215 -1.357 6.084) 6.351 1.108 ( 1.215 1.357 6.084) 6.351 1.247 ( -4.353 -4.885 -7.914) 10.268 1.247 ( -4.353 4.885 -7.914) 10.268 1.434 ( 2.049 -0.909 6.472) 6.849 1.434 ( 2.049 0.909 6.472) 6.849 1.578 ( -0.067 -3.750 -0.488) 3.782 1.578 ( -0.067 3.750 -0.488) 3.782 1.717 ( 2.984 -1.109 0.734) 3.267 1.717 ( 2.984 1.109 0.734) 3.267 1.925 ( -3.003 -3.718 0.708) 4.832 1.925 ( -3.003 3.718 0.708) 4.832 2.298 ( -2.845 -1.853 -14.077) 14.481 2.298 ( -2.845 1.853 -14.077) 14.481 2.486 ( 2.705 -2.004 0.322) 3.382 2.486 ( 2.705 2.004 0.322) 3.382 2.807 ( -9.094 -7.441 -3.856) 12.367 2.807 ( -9.094 7.441 -3.856) 12.367 3.051 ( 0.165 -1.381 0.841) 1.625 3.051 ( 0.165 1.381 0.841) 1.625 3.168 ( -7.724 -12.607 2.578) 15.008 3.168 ( -7.724 12.607 2.578) 15.008 3.707 ( 3.991 -1.357 -0.346) 4.230 3.707 ( 3.991 1.357 -0.346) 4.230 3.883 ( -1.137 -6.132 1.783) 6.487 3.883 ( -1.137 6.132 1.783) 6.487 3.990 ( -1.334 -2.055 -4.359) 5.001 3.990 ( -1.334 2.055 -4.359) 5.001 4.424 ( -2.236 -0.710 -0.488) 2.396 4.424 ( -2.236 0.710 -0.488) 2.396 4.788 ( 0.376 -0.366 -0.292) 0.601 4.788 ( 0.376 0.366 -0.292) 0.601 5.094 ( 0.860 -2.310 -0.636) 2.546 5.094 ( 0.860 2.310 -0.636) 2.546 5.405 ( 1.171 -1.156 0.973) 1.911 5.405 ( 1.171 1.156 0.973) 1.911 6.151 ( -3.120 -1.569 -2.026) 4.038 6.151 ( -3.120 1.569 -2.026) 4.038 6.635 ( -1.320 -0.731 -1.365) 2.035 6.635 ( -1.320 0.731 -1.365) 2.035 7.279 ( 5.852 -3.581 7.480) 10.150 7.279 ( 5.852 3.581 7.480) 10.150 7.596 ( 4.124 -2.733 -5.185) 7.167 7.596 ( 4.124 2.733 -5.185) 7.167 7.777 ( -3.342 -5.191 4.003) 7.358 7.777 ( -3.342 5.191 4.003) 7.358 8.336 ( 4.385 -1.943 1.855) 5.143 8.336 ( 4.385 1.943 1.855) 5.143 11.383 ( -0.413 -0.189 -1.687) 1.747 11.383 ( -0.413 0.189 -1.687) 1.747 12.289 ( 12.813 -0.467 8.021) 15.124 12.289 ( 12.813 0.467 8.021) 15.124 13.456 ( -2.386 -4.081 1.645) 5.006 13.456 ( -2.386 4.081 1.645) 5.006 13.823 ( -1.314 -8.993 -10.207) 13.666 13.823 ( -1.314 8.993 -10.207) 13.666 14.245 ( -9.141 -12.060 2.743) 15.379 14.245 ( -9.141 12.060 2.743) 15.379 14.716 ( -0.689 -0.224 -0.202) 0.752 14.716 ( -0.689 0.224 -0.202) 0.752 ======================= Grid point 339 (160/160) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 -0.000 -0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 -0.000) 0.000 1.178 ( 0.000 0.000 -0.000) 0.000 1.518 ( 0.000 0.000 -0.000) 0.000 1.518 ( 0.000 0.000 -0.000) 0.000 1.552 ( 0.000 -0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 -0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 -0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 -0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.545 ( -0.000 0.000 -0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 -0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 3.052 ( -0.000 -0.000 -0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.116 ( -0.000 0.000 -0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 -0.000 -0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 -0.000) 0.000 4.400 ( 0.000 0.000 -0.000) 0.000 4.789 ( 0.000 0.000 -0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 -0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 -0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 -0.000) 0.000 6.114 ( 0.000 0.000 -0.000) 0.000 6.617 ( 0.000 0.000 -0.000) 0.000 6.617 ( 0.000 0.000 -0.000) 0.000 7.394 ( 0.000 0.000 -0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 -0.000) 0.000 7.569 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 -0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 -0.000) 0.000 12.463 ( 0.000 0.000 -0.000) 0.000 12.463 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 -0.000) 0.000 13.423 ( 0.000 0.000 -0.000) 0.000 13.723 ( 0.000 0.000 -0.000) 0.000 13.723 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 -0.000) 0.000 14.709 ( 0.000 0.000 -0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 =================== 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 3/28800 10.0 11.308 11.567 14.251 0.000 0.493 0.000 3/28800 20.0 2.750 2.795 3.582 0.000 0.075 0.000 3/28800 30.0 1.424 1.475 1.881 0.000 0.040 0.000 3/28800 40.0 0.971 1.022 1.285 0.000 0.027 0.000 3/28800 50.0 0.753 0.800 0.993 0.000 0.020 0.000 3/28800 60.0 0.625 0.668 0.819 0.000 0.016 0.000 3/28800 70.0 0.542 0.579 0.704 0.000 0.013 0.000 3/28800 80.0 0.482 0.514 0.622 0.000 0.010 0.000 3/28800 90.0 0.438 0.465 0.560 0.000 0.009 0.000 3/28800 100.0 0.403 0.427 0.512 0.000 0.008 0.000 3/28800 110.0 0.375 0.397 0.473 0.000 0.007 0.000 3/28800 120.0 0.352 0.372 0.441 0.000 0.006 0.000 3/28800 130.0 0.332 0.351 0.415 0.000 0.005 0.000 3/28800 140.0 0.315 0.333 0.392 0.000 0.005 0.000 3/28800 150.0 0.300 0.318 0.372 0.000 0.005 0.000 3/28800 160.0 0.287 0.304 0.355 0.000 0.004 0.000 3/28800 170.0 0.275 0.292 0.339 0.000 0.004 0.000 3/28800 180.0 0.265 0.281 0.325 0.000 0.004 0.000 3/28800 190.0 0.255 0.271 0.313 0.000 0.004 0.000 3/28800 200.0 0.246 0.261 0.301 0.000 0.004 0.000 3/28800 210.0 0.238 0.253 0.290 0.000 0.003 0.000 3/28800 220.0 0.230 0.245 0.280 0.000 0.003 0.000 3/28800 230.0 0.222 0.237 0.271 0.000 0.003 0.000 3/28800 240.0 0.215 0.230 0.262 0.000 0.003 0.000 3/28800 250.0 0.209 0.223 0.254 0.000 0.003 0.000 3/28800 260.0 0.203 0.217 0.246 0.000 0.003 0.000 3/28800 270.0 0.197 0.211 0.239 0.000 0.003 0.000 3/28800 280.0 0.191 0.205 0.232 0.000 0.003 0.000 3/28800 290.0 0.186 0.200 0.226 0.000 0.003 0.000 3/28800 300.0 0.181 0.195 0.219 0.000 0.003 0.000 3/28800 310.0 0.177 0.190 0.214 0.000 0.003 0.000 3/28800 320.0 0.172 0.185 0.208 0.000 0.002 0.000 3/28800 330.0 0.168 0.180 0.203 0.000 0.002 0.000 3/28800 340.0 0.164 0.176 0.198 0.000 0.002 0.000 3/28800 350.0 0.160 0.172 0.193 0.000 0.002 0.000 3/28800 360.0 0.156 0.168 0.188 0.000 0.002 0.000 3/28800 370.0 0.152 0.164 0.184 0.000 0.002 0.000 3/28800 380.0 0.149 0.161 0.180 0.000 0.002 0.000 3/28800 390.0 0.146 0.157 0.176 0.000 0.002 0.000 3/28800 400.0 0.143 0.154 0.172 0.000 0.002 0.000 3/28800 410.0 0.139 0.151 0.168 0.000 0.002 0.000 3/28800 420.0 0.137 0.147 0.164 0.000 0.002 0.000 3/28800 430.0 0.134 0.144 0.161 0.000 0.002 0.000 3/28800 440.0 0.131 0.142 0.158 0.000 0.002 0.000 3/28800 450.0 0.128 0.139 0.155 0.000 0.002 0.000 3/28800 460.0 0.126 0.136 0.152 0.000 0.002 0.000 3/28800 470.0 0.124 0.134 0.149 0.000 0.002 0.000 3/28800 480.0 0.121 0.131 0.146 0.000 0.002 0.000 3/28800 490.0 0.119 0.129 0.143 0.000 0.002 0.000 3/28800 500.0 0.117 0.126 0.140 0.000 0.002 0.000 3/28800 510.0 0.115 0.124 0.138 0.000 0.002 0.000 3/28800 520.0 0.113 0.122 0.136 0.000 0.002 0.000 3/28800 530.0 0.111 0.120 0.133 0.000 0.002 0.000 3/28800 540.0 0.109 0.118 0.131 0.000 0.002 0.000 3/28800 550.0 0.107 0.116 0.129 0.000 0.002 0.000 3/28800 560.0 0.105 0.114 0.127 0.000 0.002 0.000 3/28800 570.0 0.104 0.112 0.124 0.000 0.002 0.000 3/28800 580.0 0.102 0.110 0.122 0.000 0.001 0.000 3/28800 590.0 0.100 0.109 0.120 0.000 0.001 0.000 3/28800 600.0 0.099 0.107 0.119 0.000 0.001 0.000 3/28800 610.0 0.097 0.105 0.117 0.000 0.001 0.000 3/28800 620.0 0.096 0.104 0.115 0.000 0.001 0.000 3/28800 630.0 0.094 0.102 0.113 0.000 0.001 0.000 3/28800 640.0 0.093 0.101 0.112 0.000 0.001 0.000 3/28800 650.0 0.092 0.099 0.110 0.000 0.001 0.000 3/28800 660.0 0.090 0.098 0.108 0.000 0.001 0.000 3/28800 670.0 0.089 0.097 0.107 0.000 0.001 0.000 3/28800 680.0 0.088 0.095 0.105 0.000 0.001 0.000 3/28800 690.0 0.087 0.094 0.104 0.000 0.001 0.000 3/28800 700.0 0.085 0.093 0.102 0.000 0.001 0.000 3/28800 710.0 0.084 0.091 0.101 0.000 0.001 0.000 3/28800 720.0 0.083 0.090 0.100 0.000 0.001 0.000 3/28800 730.0 0.082 0.089 0.098 0.000 0.001 0.000 3/28800 740.0 0.081 0.088 0.097 0.000 0.001 0.000 3/28800 750.0 0.080 0.087 0.096 0.000 0.001 0.000 3/28800 760.0 0.079 0.086 0.095 0.000 0.001 0.000 3/28800 770.0 0.078 0.085 0.094 0.000 0.001 0.000 3/28800 780.0 0.077 0.084 0.092 0.000 0.001 0.000 3/28800 790.0 0.076 0.083 0.091 0.000 0.001 0.000 3/28800 800.0 0.075 0.082 0.090 0.000 0.001 0.000 3/28800 810.0 0.074 0.081 0.089 0.000 0.001 0.000 3/28800 820.0 0.073 0.080 0.088 0.000 0.001 0.000 3/28800 830.0 0.073 0.079 0.087 0.000 0.001 0.000 3/28800 840.0 0.072 0.078 0.086 0.000 0.001 0.000 3/28800 850.0 0.071 0.077 0.085 0.000 0.001 0.000 3/28800 860.0 0.070 0.076 0.084 0.000 0.001 0.000 3/28800 870.0 0.069 0.075 0.083 0.000 0.001 0.000 3/28800 880.0 0.069 0.074 0.082 0.000 0.001 0.000 3/28800 890.0 0.068 0.074 0.081 0.000 0.001 0.000 3/28800 900.0 0.067 0.073 0.080 0.000 0.001 0.000 3/28800 910.0 0.066 0.072 0.080 0.000 0.001 0.000 3/28800 920.0 0.066 0.071 0.079 0.000 0.001 0.000 3/28800 930.0 0.065 0.071 0.078 0.000 0.001 0.000 3/28800 940.0 0.064 0.070 0.077 0.000 0.001 0.000 3/28800 950.0 0.064 0.069 0.076 0.000 0.001 0.000 3/28800 960.0 0.063 0.068 0.076 0.000 0.001 0.000 3/28800 970.0 0.062 0.068 0.075 0.000 0.001 0.000 3/28800 980.0 0.062 0.067 0.074 0.000 0.001 0.000 3/28800 990.0 0.061 0.066 0.073 0.000 0.001 0.000 3/28800 1000.0 0.061 0.066 0.073 0.000 0.001 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:50:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|