----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:04:34]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.514361160702946 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.462573901890536 0.000000000000000 7.913087716350983 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 *2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 *5 Ga 0.97595382510957 0.75000000000000 0.46015933675081 69.723 *6 Ga 0.13463542167663 0.25000000000000 0.25658422590439 69.723 7 Ga 0.02404617489043 0.25000000000000 0.53984066324919 69.723 8 Ga 0.86536457832337 0.75000000000000 0.74341577409561 69.723 *9 Br 0.34082867567825 0.43253188147210 0.18421693899524 79.904 10 Br 0.65917132432175 0.56746811852790 0.81578306100476 79.904 11 Br 0.34082867567825 0.06746811852790 0.18421693899524 79.904 *12 Br 0.66020582964430 0.25000000000000 0.57125276615556 79.904 *13 Br 0.82889612181742 0.93446276801774 0.30842551912060 79.904 14 Br 0.17110387818258 0.43446276801774 0.69157448087940 79.904 15 Br 0.17110387818258 0.06553723198226 0.69157448087940 79.904 16 Br 0.82889612181742 0.56553723198226 0.30842551912060 79.904 17 Br 0.65917132432175 0.93253188147210 0.81578306100476 79.904 *18 Br 0.86563093423682 0.25000000000000 0.03706183597916 79.904 19 Br 0.13436906576318 0.75000000000000 0.96293816402084 79.904 20 Br 0.33979417035570 0.75000000000000 0.42874723384444 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.514361160702946 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.462573901890536 0.000000000000000 7.913087716350983 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 *2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 3 4 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 4 *5 Ga 0.97595382510957 0.75000000000000 0.46015933675081 69.723 > 5 *6 Ga 0.13463542167663 0.25000000000000 0.25658422590439 69.723 > 6 7 Ga 0.02404617489043 0.25000000000000 0.53984066324919 69.723 > 7 8 Ga 0.86536457832337 0.75000000000000 0.74341577409561 69.723 > 8 *9 Br 0.34082867567825 0.43253188147210 0.18421693899524 79.904 > 9 10 Br 0.65917132432175 0.56746811852790 0.81578306100476 79.904 > 10 11 Br 0.34082867567825 0.06746811852790 0.18421693899524 79.904 > 11 *12 Br 0.66020582964430 0.25000000000000 0.57125276615556 79.904 > 12 *13 Br 0.82889612181742 0.93446276801774 0.30842551912060 79.904 > 13 14 Br 0.17110387818258 0.43446276801774 0.69157448087940 79.904 > 14 15 Br 0.17110387818258 0.06553723198226 0.69157448087940 79.904 > 15 16 Br 0.82889612181742 0.56553723198226 0.30842551912060 79.904 > 16 17 Br 0.65917132432175 0.93253188147210 0.81578306100476 79.904 > 17 *18 Br 0.86563093423682 0.25000000000000 0.03706183597916 79.904 > 18 19 Br 0.13436906576318 0.75000000000000 0.96293816402084 79.904 > 19 20 Br 0.33979417035570 0.75000000000000 0.42874723384444 79.904 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.028722321405892 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.925147803781072 0.000000000000000 15.826175432701966 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 *5 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 2 6 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 2 8 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 3 10 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 3 11 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 3 12 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 3 13 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 4 14 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 4 15 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 4 16 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 4 *17 Ga 0.48797691255478 0.75000000000000 0.23007966837540 69.723 > 5 18 Ga 0.98797691255478 0.75000000000000 0.23007966837540 69.723 > 5 19 Ga 0.48797691255478 0.75000000000000 0.73007966837540 69.723 > 5 20 Ga 0.98797691255478 0.75000000000000 0.73007966837540 69.723 > 5 *21 Ga 0.06731771083831 0.25000000000000 0.12829211295219 69.723 > 6 22 Ga 0.56731771083831 0.25000000000000 0.12829211295219 69.723 > 6 23 Ga 0.06731771083831 0.25000000000000 0.62829211295219 69.723 > 6 24 Ga 0.56731771083831 0.25000000000000 0.62829211295219 69.723 > 6 25 Ga 0.01202308744522 0.25000000000000 0.26992033162460 69.723 > 7 26 Ga 0.51202308744522 0.25000000000000 0.26992033162460 69.723 > 7 27 Ga 0.01202308744522 0.25000000000000 0.76992033162460 69.723 > 7 28 Ga 0.51202308744522 0.25000000000000 0.76992033162460 69.723 > 7 29 Ga 0.43268228916169 0.75000000000000 0.37170788704781 69.723 > 8 30 Ga 0.93268228916169 0.75000000000000 0.37170788704781 69.723 > 8 31 Ga 0.43268228916169 0.75000000000000 0.87170788704781 69.723 > 8 32 Ga 0.93268228916169 0.75000000000000 0.87170788704781 69.723 > 8 *33 Br 0.17041433783913 0.43253188147210 0.09210846949762 79.904 > 9 34 Br 0.67041433783913 0.43253188147210 0.09210846949762 79.904 > 9 35 Br 0.17041433783913 0.43253188147210 0.59210846949762 79.904 > 9 36 Br 0.67041433783913 0.43253188147210 0.59210846949762 79.904 > 9 37 Br 0.32958566216087 0.56746811852790 0.40789153050238 79.904 > 10 38 Br 0.82958566216087 0.56746811852790 0.40789153050238 79.904 > 10 39 Br 0.32958566216087 0.56746811852790 0.90789153050238 79.904 > 10 40 Br 0.82958566216087 0.56746811852790 0.90789153050238 79.904 > 10 41 Br 0.17041433783913 0.06746811852790 0.09210846949762 79.904 > 11 42 Br 0.67041433783913 0.06746811852790 0.09210846949762 79.904 > 11 43 Br 0.17041433783913 0.06746811852790 0.59210846949762 79.904 > 11 44 Br 0.67041433783913 0.06746811852790 0.59210846949762 79.904 > 11 *45 Br 0.33010291482215 0.25000000000000 0.28562638307778 79.904 > 12 46 Br 0.83010291482215 0.25000000000000 0.28562638307778 79.904 > 12 47 Br 0.33010291482215 0.25000000000000 0.78562638307778 79.904 > 12 48 Br 0.83010291482215 0.25000000000000 0.78562638307778 79.904 > 12 *49 Br 0.41444806090871 0.93446276801774 0.15421275956030 79.904 > 13 50 Br 0.91444806090871 0.93446276801774 0.15421275956030 79.904 > 13 51 Br 0.41444806090871 0.93446276801774 0.65421275956030 79.904 > 13 52 Br 0.91444806090871 0.93446276801774 0.65421275956030 79.904 > 13 53 Br 0.08555193909129 0.43446276801774 0.34578724043970 79.904 > 14 54 Br 0.58555193909129 0.43446276801774 0.34578724043970 79.904 > 14 55 Br 0.08555193909129 0.43446276801774 0.84578724043970 79.904 > 14 56 Br 0.58555193909129 0.43446276801774 0.84578724043970 79.904 > 14 57 Br 0.08555193909129 0.06553723198226 0.34578724043970 79.904 > 15 58 Br 0.58555193909129 0.06553723198226 0.34578724043970 79.904 > 15 59 Br 0.08555193909129 0.06553723198226 0.84578724043970 79.904 > 15 60 Br 0.58555193909129 0.06553723198226 0.84578724043970 79.904 > 15 61 Br 0.41444806090871 0.56553723198226 0.15421275956030 79.904 > 16 62 Br 0.91444806090871 0.56553723198226 0.15421275956030 79.904 > 16 63 Br 0.41444806090871 0.56553723198226 0.65421275956030 79.904 > 16 64 Br 0.91444806090871 0.56553723198226 0.65421275956030 79.904 > 16 65 Br 0.32958566216087 0.93253188147210 0.40789153050238 79.904 > 17 66 Br 0.82958566216087 0.93253188147210 0.40789153050238 79.904 > 17 67 Br 0.32958566216087 0.93253188147210 0.90789153050238 79.904 > 17 68 Br 0.82958566216087 0.93253188147210 0.90789153050238 79.904 > 17 *69 Br 0.43281546711841 0.25000000000000 0.01853091798958 79.904 > 18 70 Br 0.93281546711841 0.25000000000000 0.01853091798958 79.904 > 18 71 Br 0.43281546711841 0.25000000000000 0.51853091798958 79.904 > 18 72 Br 0.93281546711841 0.25000000000000 0.51853091798958 79.904 > 18 73 Br 0.06718453288159 0.75000000000000 0.48146908201042 79.904 > 19 74 Br 0.56718453288159 0.75000000000000 0.48146908201042 79.904 > 19 75 Br 0.06718453288159 0.75000000000000 0.98146908201042 79.904 > 19 76 Br 0.56718453288159 0.75000000000000 0.98146908201042 79.904 > 19 77 Br 0.16989708517785 0.75000000000000 0.21437361692222 79.904 > 20 78 Br 0.66989708517785 0.75000000000000 0.21437361692222 79.904 > 20 79 Br 0.16989708517785 0.75000000000000 0.71437361692222 79.904 > 20 80 Br 0.66989708517785 0.75000000000000 0.71437361692222 79.904 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8263764 0.0000000 -0.0258101 0.0000000 3.9616735 0.0000000 -0.0258131 0.0000000 3.8310097 -------------------------- Born effective charges -------------------------- 1 Li 0.9095632 -0.2138697 -0.0130129 -0.2238599 1.3230112 0.0175038 -0.0404725 -0.3125476 1.5669918 2 Li 1.4069363 -0.2705534 0.1790351 0.1506679 1.2702938 0.0319281 0.0399325 0.0398453 1.0279020 3 Li 0.9095632 0.2138697 -0.0130129 0.2238599 1.3230112 -0.0175038 -0.0404725 0.3125476 1.5669918 4 Li 1.4069363 0.2705534 0.1790351 -0.1506679 1.2702938 -0.0319281 0.0399325 -0.0398453 1.0279020 5 Ga 2.1352894 0.0000000 0.0897580 0.0000000 2.4480161 0.0000000 0.0938879 -0.0000000 1.7443304 6 Ga 1.7651656 0.0000000 0.0109288 0.0000000 2.3192252 0.0000000 0.0744638 -0.0000000 1.7744619 7 Ga 2.1352894 0.0000000 0.0897580 0.0000000 2.4480161 0.0000000 0.0938879 -0.0000000 1.7443304 8 Ga 1.7651656 0.0000000 0.0109288 0.0000000 2.3192252 0.0000000 0.0744638 -0.0000000 1.7744619 9 Br -0.9714274 -0.4559442 -0.0409091 -0.4793470 -1.2492106 0.2225822 0.0418436 0.3371386 -0.9246437 10 Br -0.9714274 -0.4559442 -0.0409091 -0.4793470 -1.2492106 0.2225822 0.0418436 0.3371386 -0.9246437 11 Br -0.9714274 0.4559442 -0.0409091 0.4793470 -1.2492106 -0.2225822 0.0418436 -0.3371386 -0.9246437 12 Br -1.8736152 0.0000000 -0.0284053 0.0000000 -0.9505897 0.0000000 0.2145655 -0.0000000 -0.5541201 13 Br -0.8053441 0.1594444 0.1322712 0.2982779 -1.4248135 0.5542606 0.0362740 0.6181300 -1.2067390 14 Br -0.8053441 -0.1594444 0.1322712 -0.2982779 -1.4248135 -0.5542606 0.0362740 -0.6181300 -1.2067390 15 Br -0.8053441 0.1594444 0.1322712 0.2982779 -1.4248135 0.5542606 0.0362740 0.6181300 -1.2067390 16 Br -0.8053441 -0.1594444 0.1322712 -0.2982779 -1.4248135 -0.5542606 0.0362740 -0.6181300 -1.2067390 17 Br -0.9714274 0.4559442 -0.0409091 0.4793470 -1.2492106 -0.2225822 0.0418436 -0.3371386 -0.9246437 18 Br -0.7897963 0.0000000 -0.4210278 0.0000000 -1.0619085 0.0000000 -0.5386124 -0.0000000 -1.2968007 19 Br -0.7897963 0.0000000 -0.4210278 0.0000000 -1.0619085 0.0000000 -0.5386124 -0.0000000 -1.2968007 20 Br -1.8736152 0.0000000 -0.0284053 0.0000000 -0.9505897 0.0000000 0.2145655 -0.0000000 -0.5541201 ---------------------------------------------------------------------------- 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: 1988 Number of blocks in projector: 1988 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (1988, 1933), data: False |-- (276, 268), data: True |-- (276, 268), data: True |-- (276, 268), data: True |-- (344, 336), data: True |-- (344, 336), data: True |-- (472, 457), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.351 Solver_block: 200 / 640 - Time: 2.348 Solver_block: 300 / 640 - Time: 2.344 Solver_block: 400 / 640 - Time: 2.343 Solver_block: 500 / 640 - Time: 2.343 Solver_block: 600 / 640 - Time: 2.347 Solver_block: 640 / 640 - Time: 1.000 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.127 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 1988 Number of blocks in projector: 1988 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (1988, 1933), data: False |-- (276, 268), data: True |-- (276, 268), data: True |-- (276, 268), data: True |-- (344, 336), data: True |-- (344, 336), data: True |-- (472, 457), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:05:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:05:09]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.514361160702946 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.462573901890536 0.000000000000000 7.913087716350983 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 5 Ga 0.97595382510957 0.75000000000000 0.46015933675081 69.723 6 Ga 0.13463542167663 0.25000000000000 0.25658422590439 69.723 7 Ga 0.02404617489043 0.25000000000000 0.53984066324919 69.723 8 Ga 0.86536457832337 0.75000000000000 0.74341577409561 69.723 9 Br 0.34082867567825 0.43253188147210 0.18421693899524 79.904 10 Br 0.65917132432175 0.56746811852790 0.81578306100476 79.904 11 Br 0.34082867567825 0.06746811852790 0.18421693899524 79.904 12 Br 0.66020582964430 0.25000000000000 0.57125276615556 79.904 13 Br 0.82889612181742 0.93446276801774 0.30842551912060 79.904 14 Br 0.17110387818258 0.43446276801774 0.69157448087940 79.904 15 Br 0.17110387818258 0.06553723198226 0.69157448087940 79.904 16 Br 0.82889612181742 0.56553723198226 0.30842551912060 79.904 17 Br 0.65917132432175 0.93253188147210 0.81578306100476 79.904 18 Br 0.86563093423682 0.25000000000000 0.03706183597916 79.904 19 Br 0.13436906576318 0.75000000000000 0.96293816402084 79.904 20 Br 0.33979417035570 0.75000000000000 0.42874723384444 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.028722321405892 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.925147803781072 0.000000000000000 15.826175432701966 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 5 6 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 5 8 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 9 10 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 9 12 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 9 13 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 13 14 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 13 15 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 13 16 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 13 17 Ga 0.48797691255478 0.75000000000000 0.23007966837540 69.723 > 17 18 Ga 0.98797691255478 0.75000000000000 0.23007966837540 69.723 > 17 19 Ga 0.48797691255478 0.75000000000000 0.73007966837540 69.723 > 17 20 Ga 0.98797691255478 0.75000000000000 0.73007966837540 69.723 > 17 21 Ga 0.06731771083831 0.25000000000000 0.12829211295219 69.723 > 21 22 Ga 0.56731771083831 0.25000000000000 0.12829211295219 69.723 > 21 23 Ga 0.06731771083831 0.25000000000000 0.62829211295219 69.723 > 21 24 Ga 0.56731771083831 0.25000000000000 0.62829211295219 69.723 > 21 25 Ga 0.01202308744522 0.25000000000000 0.26992033162460 69.723 > 25 26 Ga 0.51202308744522 0.25000000000000 0.26992033162460 69.723 > 25 27 Ga 0.01202308744522 0.25000000000000 0.76992033162460 69.723 > 25 28 Ga 0.51202308744522 0.25000000000000 0.76992033162460 69.723 > 25 29 Ga 0.43268228916169 0.75000000000000 0.37170788704781 69.723 > 29 30 Ga 0.93268228916169 0.75000000000000 0.37170788704781 69.723 > 29 31 Ga 0.43268228916169 0.75000000000000 0.87170788704781 69.723 > 29 32 Ga 0.93268228916169 0.75000000000000 0.87170788704781 69.723 > 29 33 Br 0.17041433783913 0.43253188147210 0.09210846949762 79.904 > 33 34 Br 0.67041433783913 0.43253188147210 0.09210846949762 79.904 > 33 35 Br 0.17041433783913 0.43253188147210 0.59210846949762 79.904 > 33 36 Br 0.67041433783913 0.43253188147210 0.59210846949762 79.904 > 33 37 Br 0.32958566216087 0.56746811852790 0.40789153050238 79.904 > 37 38 Br 0.82958566216087 0.56746811852790 0.40789153050238 79.904 > 37 39 Br 0.32958566216087 0.56746811852790 0.90789153050238 79.904 > 37 40 Br 0.82958566216087 0.56746811852790 0.90789153050238 79.904 > 37 41 Br 0.17041433783913 0.06746811852790 0.09210846949762 79.904 > 41 42 Br 0.67041433783913 0.06746811852790 0.09210846949762 79.904 > 41 43 Br 0.17041433783913 0.06746811852790 0.59210846949762 79.904 > 41 44 Br 0.67041433783913 0.06746811852790 0.59210846949762 79.904 > 41 45 Br 0.33010291482215 0.25000000000000 0.28562638307778 79.904 > 45 46 Br 0.83010291482215 0.25000000000000 0.28562638307778 79.904 > 45 47 Br 0.33010291482215 0.25000000000000 0.78562638307778 79.904 > 45 48 Br 0.83010291482215 0.25000000000000 0.78562638307778 79.904 > 45 49 Br 0.41444806090871 0.93446276801774 0.15421275956030 79.904 > 49 50 Br 0.91444806090871 0.93446276801774 0.15421275956030 79.904 > 49 51 Br 0.41444806090871 0.93446276801774 0.65421275956030 79.904 > 49 52 Br 0.91444806090871 0.93446276801774 0.65421275956030 79.904 > 49 53 Br 0.08555193909129 0.43446276801774 0.34578724043970 79.904 > 53 54 Br 0.58555193909129 0.43446276801774 0.34578724043970 79.904 > 53 55 Br 0.08555193909129 0.43446276801774 0.84578724043970 79.904 > 53 56 Br 0.58555193909129 0.43446276801774 0.84578724043970 79.904 > 53 57 Br 0.08555193909129 0.06553723198226 0.34578724043970 79.904 > 57 58 Br 0.58555193909129 0.06553723198226 0.34578724043970 79.904 > 57 59 Br 0.08555193909129 0.06553723198226 0.84578724043970 79.904 > 57 60 Br 0.58555193909129 0.06553723198226 0.84578724043970 79.904 > 57 61 Br 0.41444806090871 0.56553723198226 0.15421275956030 79.904 > 61 62 Br 0.91444806090871 0.56553723198226 0.15421275956030 79.904 > 61 63 Br 0.41444806090871 0.56553723198226 0.65421275956030 79.904 > 61 64 Br 0.91444806090871 0.56553723198226 0.65421275956030 79.904 > 61 65 Br 0.32958566216087 0.93253188147210 0.40789153050238 79.904 > 65 66 Br 0.82958566216087 0.93253188147210 0.40789153050238 79.904 > 65 67 Br 0.32958566216087 0.93253188147210 0.90789153050238 79.904 > 65 68 Br 0.82958566216087 0.93253188147210 0.90789153050238 79.904 > 65 69 Br 0.43281546711841 0.25000000000000 0.01853091798958 79.904 > 69 70 Br 0.93281546711841 0.25000000000000 0.01853091798958 79.904 > 69 71 Br 0.43281546711841 0.25000000000000 0.51853091798958 79.904 > 69 72 Br 0.93281546711841 0.25000000000000 0.51853091798958 79.904 > 69 73 Br 0.06718453288159 0.75000000000000 0.48146908201042 79.904 > 73 74 Br 0.56718453288159 0.75000000000000 0.48146908201042 79.904 > 73 75 Br 0.06718453288159 0.75000000000000 0.98146908201042 79.904 > 73 76 Br 0.56718453288159 0.75000000000000 0.98146908201042 79.904 > 73 77 Br 0.16989708517785 0.75000000000000 0.21437361692222 79.904 > 77 78 Br 0.66989708517785 0.75000000000000 0.21437361692222 79.904 > 77 79 Br 0.16989708517785 0.75000000000000 0.71437361692222 79.904 > 77 80 Br 0.66989708517785 0.75000000000000 0.71437361692222 79.904 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8263764 0.0000000 -0.0258101 0.0000000 3.9616735 0.0000000 -0.0258131 0.0000000 3.8310097 -------------------------- Born effective charges -------------------------- 1 Li 0.9095632 -0.2138697 -0.0130129 -0.2238599 1.3230112 0.0175038 -0.0404725 -0.3125476 1.5669918 2 Li 1.4069363 -0.2705534 0.1790351 0.1506679 1.2702938 0.0319281 0.0399325 0.0398453 1.0279020 3 Li 0.9095632 0.2138697 -0.0130129 0.2238599 1.3230112 -0.0175038 -0.0404725 0.3125476 1.5669918 4 Li 1.4069363 0.2705534 0.1790351 -0.1506679 1.2702938 -0.0319281 0.0399325 -0.0398453 1.0279020 5 Ga 2.1352894 0.0000000 0.0897580 0.0000000 2.4480161 0.0000000 0.0938879 -0.0000000 1.7443304 6 Ga 1.7651656 0.0000000 0.0109288 0.0000000 2.3192252 0.0000000 0.0744638 -0.0000000 1.7744619 7 Ga 2.1352894 0.0000000 0.0897580 0.0000000 2.4480161 0.0000000 0.0938879 -0.0000000 1.7443304 8 Ga 1.7651656 0.0000000 0.0109288 0.0000000 2.3192252 0.0000000 0.0744638 -0.0000000 1.7744619 9 Br -0.9714274 -0.4559442 -0.0409091 -0.4793470 -1.2492106 0.2225822 0.0418436 0.3371386 -0.9246437 10 Br -0.9714274 -0.4559442 -0.0409091 -0.4793470 -1.2492106 0.2225822 0.0418436 0.3371386 -0.9246437 11 Br -0.9714274 0.4559442 -0.0409091 0.4793470 -1.2492106 -0.2225822 0.0418436 -0.3371386 -0.9246437 12 Br -1.8736152 0.0000000 -0.0284053 0.0000000 -0.9505897 0.0000000 0.2145655 -0.0000000 -0.5541201 13 Br -0.8053441 0.1594444 0.1322712 0.2982779 -1.4248135 0.5542606 0.0362740 0.6181300 -1.2067390 14 Br -0.8053441 -0.1594444 0.1322712 -0.2982779 -1.4248135 -0.5542606 0.0362740 -0.6181300 -1.2067390 15 Br -0.8053441 0.1594444 0.1322712 0.2982779 -1.4248135 0.5542606 0.0362740 0.6181300 -1.2067390 16 Br -0.8053441 -0.1594444 0.1322712 -0.2982779 -1.4248135 -0.5542606 0.0362740 -0.6181300 -1.2067390 17 Br -0.9714274 0.4559442 -0.0409091 0.4793470 -1.2492106 -0.2225822 0.0418436 -0.3371386 -0.9246437 18 Br -0.7897963 0.0000000 -0.4210278 0.0000000 -1.0619085 0.0000000 -0.5386124 -0.0000000 -1.2968007 19 Br -0.7897963 0.0000000 -0.4210278 0.0000000 -1.0619085 0.0000000 -0.5386124 -0.0000000 -1.2968007 20 Br -1.8736152 0.0000000 -0.0284053 0.0000000 -0.9505897 0.0000000 0.2145655 -0.0000000 -0.5541201 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 5, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 21, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 45, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 69, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yzy) -0.00000004 (yzy) -0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:05:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:05:27]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.514361160702946 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.462573901890536 0.000000000000000 7.913087716350983 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 5 Ga 0.97595382510957 0.75000000000000 0.46015933675081 69.723 6 Ga 0.13463542167663 0.25000000000000 0.25658422590439 69.723 7 Ga 0.02404617489043 0.25000000000000 0.53984066324919 69.723 8 Ga 0.86536457832337 0.75000000000000 0.74341577409561 69.723 9 Br 0.34082867567825 0.43253188147210 0.18421693899524 79.904 10 Br 0.65917132432175 0.56746811852790 0.81578306100476 79.904 11 Br 0.34082867567825 0.06746811852790 0.18421693899524 79.904 12 Br 0.66020582964430 0.25000000000000 0.57125276615556 79.904 13 Br 0.82889612181742 0.93446276801774 0.30842551912060 79.904 14 Br 0.17110387818258 0.43446276801774 0.69157448087940 79.904 15 Br 0.17110387818258 0.06553723198226 0.69157448087940 79.904 16 Br 0.82889612181742 0.56553723198226 0.30842551912060 79.904 17 Br 0.65917132432175 0.93253188147210 0.81578306100476 79.904 18 Br 0.86563093423682 0.25000000000000 0.03706183597916 79.904 19 Br 0.13436906576318 0.75000000000000 0.96293816402084 79.904 20 Br 0.33979417035570 0.75000000000000 0.42874723384444 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.028722321405892 0.000000000000000 0.000000000000000 b 0.000000000000000 10.277328820000001 0.000000000000000 c -0.925147803781072 0.000000000000000 15.826175432701966 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 5 6 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 5 8 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 9 10 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 9 12 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 9 13 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 13 14 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 13 15 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 13 16 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 13 17 Ga 0.48797691255478 0.75000000000000 0.23007966837540 69.723 > 17 18 Ga 0.98797691255478 0.75000000000000 0.23007966837540 69.723 > 17 19 Ga 0.48797691255478 0.75000000000000 0.73007966837540 69.723 > 17 20 Ga 0.98797691255478 0.75000000000000 0.73007966837540 69.723 > 17 21 Ga 0.06731771083831 0.25000000000000 0.12829211295219 69.723 > 21 22 Ga 0.56731771083831 0.25000000000000 0.12829211295219 69.723 > 21 23 Ga 0.06731771083831 0.25000000000000 0.62829211295219 69.723 > 21 24 Ga 0.56731771083831 0.25000000000000 0.62829211295219 69.723 > 21 25 Ga 0.01202308744522 0.25000000000000 0.26992033162460 69.723 > 25 26 Ga 0.51202308744522 0.25000000000000 0.26992033162460 69.723 > 25 27 Ga 0.01202308744522 0.25000000000000 0.76992033162460 69.723 > 25 28 Ga 0.51202308744522 0.25000000000000 0.76992033162460 69.723 > 25 29 Ga 0.43268228916169 0.75000000000000 0.37170788704781 69.723 > 29 30 Ga 0.93268228916169 0.75000000000000 0.37170788704781 69.723 > 29 31 Ga 0.43268228916169 0.75000000000000 0.87170788704781 69.723 > 29 32 Ga 0.93268228916169 0.75000000000000 0.87170788704781 69.723 > 29 33 Br 0.17041433783913 0.43253188147210 0.09210846949762 79.904 > 33 34 Br 0.67041433783913 0.43253188147210 0.09210846949762 79.904 > 33 35 Br 0.17041433783913 0.43253188147210 0.59210846949762 79.904 > 33 36 Br 0.67041433783913 0.43253188147210 0.59210846949762 79.904 > 33 37 Br 0.32958566216087 0.56746811852790 0.40789153050238 79.904 > 37 38 Br 0.82958566216087 0.56746811852790 0.40789153050238 79.904 > 37 39 Br 0.32958566216087 0.56746811852790 0.90789153050238 79.904 > 37 40 Br 0.82958566216087 0.56746811852790 0.90789153050238 79.904 > 37 41 Br 0.17041433783913 0.06746811852790 0.09210846949762 79.904 > 41 42 Br 0.67041433783913 0.06746811852790 0.09210846949762 79.904 > 41 43 Br 0.17041433783913 0.06746811852790 0.59210846949762 79.904 > 41 44 Br 0.67041433783913 0.06746811852790 0.59210846949762 79.904 > 41 45 Br 0.33010291482215 0.25000000000000 0.28562638307778 79.904 > 45 46 Br 0.83010291482215 0.25000000000000 0.28562638307778 79.904 > 45 47 Br 0.33010291482215 0.25000000000000 0.78562638307778 79.904 > 45 48 Br 0.83010291482215 0.25000000000000 0.78562638307778 79.904 > 45 49 Br 0.41444806090871 0.93446276801774 0.15421275956030 79.904 > 49 50 Br 0.91444806090871 0.93446276801774 0.15421275956030 79.904 > 49 51 Br 0.41444806090871 0.93446276801774 0.65421275956030 79.904 > 49 52 Br 0.91444806090871 0.93446276801774 0.65421275956030 79.904 > 49 53 Br 0.08555193909129 0.43446276801774 0.34578724043970 79.904 > 53 54 Br 0.58555193909129 0.43446276801774 0.34578724043970 79.904 > 53 55 Br 0.08555193909129 0.43446276801774 0.84578724043970 79.904 > 53 56 Br 0.58555193909129 0.43446276801774 0.84578724043970 79.904 > 53 57 Br 0.08555193909129 0.06553723198226 0.34578724043970 79.904 > 57 58 Br 0.58555193909129 0.06553723198226 0.34578724043970 79.904 > 57 59 Br 0.08555193909129 0.06553723198226 0.84578724043970 79.904 > 57 60 Br 0.58555193909129 0.06553723198226 0.84578724043970 79.904 > 57 61 Br 0.41444806090871 0.56553723198226 0.15421275956030 79.904 > 61 62 Br 0.91444806090871 0.56553723198226 0.15421275956030 79.904 > 61 63 Br 0.41444806090871 0.56553723198226 0.65421275956030 79.904 > 61 64 Br 0.91444806090871 0.56553723198226 0.65421275956030 79.904 > 61 65 Br 0.32958566216087 0.93253188147210 0.40789153050238 79.904 > 65 66 Br 0.82958566216087 0.93253188147210 0.40789153050238 79.904 > 65 67 Br 0.32958566216087 0.93253188147210 0.90789153050238 79.904 > 65 68 Br 0.82958566216087 0.93253188147210 0.90789153050238 79.904 > 65 69 Br 0.43281546711841 0.25000000000000 0.01853091798958 79.904 > 69 70 Br 0.93281546711841 0.25000000000000 0.01853091798958 79.904 > 69 71 Br 0.43281546711841 0.25000000000000 0.51853091798958 79.904 > 69 72 Br 0.93281546711841 0.25000000000000 0.51853091798958 79.904 > 69 73 Br 0.06718453288159 0.75000000000000 0.48146908201042 79.904 > 73 74 Br 0.56718453288159 0.75000000000000 0.48146908201042 79.904 > 73 75 Br 0.06718453288159 0.75000000000000 0.98146908201042 79.904 > 73 76 Br 0.56718453288159 0.75000000000000 0.98146908201042 79.904 > 73 77 Br 0.16989708517785 0.75000000000000 0.21437361692222 79.904 > 77 78 Br 0.66989708517785 0.75000000000000 0.21437361692222 79.904 > 77 79 Br 0.16989708517785 0.75000000000000 0.71437361692222 79.904 > 77 80 Br 0.66989708517785 0.75000000000000 0.71437361692222 79.904 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8263764 0.0000000 -0.0258101 0.0000000 3.9616735 0.0000000 -0.0258131 0.0000000 3.8310097 -------------------------- Born effective charges -------------------------- 1 Li 0.9095632 -0.2138697 -0.0130129 -0.2238599 1.3230112 0.0175038 -0.0404725 -0.3125476 1.5669918 2 Li 1.4069363 -0.2705534 0.1790351 0.1506679 1.2702938 0.0319281 0.0399325 0.0398453 1.0279020 3 Li 0.9095632 0.2138697 -0.0130129 0.2238599 1.3230112 -0.0175038 -0.0404725 0.3125476 1.5669918 4 Li 1.4069363 0.2705534 0.1790351 -0.1506679 1.2702938 -0.0319281 0.0399325 -0.0398453 1.0279020 5 Ga 2.1352894 0.0000000 0.0897580 0.0000000 2.4480161 0.0000000 0.0938879 -0.0000000 1.7443304 6 Ga 1.7651656 0.0000000 0.0109288 0.0000000 2.3192252 0.0000000 0.0744638 -0.0000000 1.7744619 7 Ga 2.1352894 0.0000000 0.0897580 0.0000000 2.4480161 0.0000000 0.0938879 -0.0000000 1.7443304 8 Ga 1.7651656 0.0000000 0.0109288 0.0000000 2.3192252 0.0000000 0.0744638 -0.0000000 1.7744619 9 Br -0.9714274 -0.4559442 -0.0409091 -0.4793470 -1.2492106 0.2225822 0.0418436 0.3371386 -0.9246437 10 Br -0.9714274 -0.4559442 -0.0409091 -0.4793470 -1.2492106 0.2225822 0.0418436 0.3371386 -0.9246437 11 Br -0.9714274 0.4559442 -0.0409091 0.4793470 -1.2492106 -0.2225822 0.0418436 -0.3371386 -0.9246437 12 Br -1.8736152 0.0000000 -0.0284053 0.0000000 -0.9505897 0.0000000 0.2145655 -0.0000000 -0.5541201 13 Br -0.8053441 0.1594444 0.1322712 0.2982779 -1.4248135 0.5542606 0.0362740 0.6181300 -1.2067390 14 Br -0.8053441 -0.1594444 0.1322712 -0.2982779 -1.4248135 -0.5542606 0.0362740 -0.6181300 -1.2067390 15 Br -0.8053441 0.1594444 0.1322712 0.2982779 -1.4248135 0.5542606 0.0362740 0.6181300 -1.2067390 16 Br -0.8053441 -0.1594444 0.1322712 -0.2982779 -1.4248135 -0.5542606 0.0362740 -0.6181300 -1.2067390 17 Br -0.9714274 0.4559442 -0.0409091 0.4793470 -1.2492106 -0.2225822 0.0418436 -0.3371386 -0.9246437 18 Br -0.7897963 0.0000000 -0.4210278 0.0000000 -1.0619085 0.0000000 -0.5386124 -0.0000000 -1.2968007 19 Br -0.7897963 0.0000000 -0.4210278 0.0000000 -1.0619085 0.0000000 -0.5386124 -0.0000000 -1.2968007 20 Br -1.8736152 0.0000000 -0.0284053 0.0000000 -0.9505897 0.0000000 0.2145655 -0.0000000 -0.5541201 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yzy) -0.00000004 (yzy) -0.00000004 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 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: 0.51, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 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 1.085 ( 0.000 0.000 0.000) 0.000 1.166 ( 0.000 0.000 0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 12.506 0.000 -3.949) 13.115 0.293 ( 14.477 0.000 6.343) 15.805 0.482 ( 24.064 0.000 6.225) 24.857 1.091 ( 0.210 0.000 -0.549) 0.588 1.154 ( -3.079 0.000 3.835) 4.918 1.185 ( 1.900 0.000 0.220) 1.913 1.401 ( 2.649 0.000 -0.659) 2.730 1.415 ( -1.437 0.000 4.200) 4.439 1.542 ( 0.432 0.000 -3.087) 3.117 1.620 ( -2.646 0.000 -0.667) 2.729 1.625 ( -1.681 0.000 -3.054) 3.486 1.680 ( -1.559 0.000 0.285) 1.585 1.701 ( -0.398 0.000 -2.479) 2.510 1.776 ( 2.183 0.000 3.321) 3.974 1.814 ( 0.647 0.000 0.706) 0.958 1.951 ( -0.079 0.000 -0.462) 0.468 1.964 ( -1.285 0.000 -6.602) 6.726 2.015 ( -0.871 0.000 5.706) 5.772 2.118 ( -0.328 0.000 1.155) 1.201 2.142 ( 2.193 0.000 -2.231) 3.128 2.284 ( -1.206 0.000 0.487) 1.301 2.294 ( -3.942 0.000 1.139) 4.104 2.404 ( -1.420 0.000 1.104) 1.799 2.517 ( 0.739 0.000 -0.842) 1.120 2.586 ( -0.604 0.000 1.076) 1.234 2.674 ( -1.780 0.000 -1.571) 2.374 2.709 ( 7.342 0.000 -0.479) 7.358 2.772 ( 1.200 0.000 0.861) 1.477 2.859 ( -4.790 0.000 3.450) 5.903 2.971 ( 0.687 0.000 -2.829) 2.911 2.971 ( 3.755 0.000 -2.307) 4.407 3.050 ( -0.874 0.000 -1.869) 2.063 3.121 ( -3.098 0.000 -1.160) 3.308 3.338 ( -1.268 0.000 -0.452) 1.346 3.620 ( 2.448 0.000 -3.010) 3.879 3.918 ( 0.475 0.000 -0.942) 1.055 3.951 ( 3.643 0.000 -28.006) 28.242 4.633 ( 0.499 0.000 0.227) 0.548 4.722 ( -0.192 0.000 0.048) 0.198 5.328 ( 0.934 0.000 0.639) 1.132 5.423 ( -0.634 0.000 1.021) 1.202 5.427 ( 1.455 0.000 -0.645) 1.592 5.513 ( -1.740 0.000 -28.532) 28.585 5.751 ( -0.434 0.000 2.128) 2.172 5.817 ( 8.489 0.000 -11.862) 14.586 5.857 ( -0.880 0.000 0.007) 0.880 6.394 ( -3.127 0.000 -5.451) 6.285 6.499 ( -18.294 0.000 15.505) 23.981 6.580 ( 5.398 0.000 2.797) 6.080 6.780 ( -3.182 0.000 33.994) 34.143 7.004 ( 1.638 0.000 2.810) 3.253 7.080 ( 2.094 0.000 5.709) 6.081 7.115 ( 8.551 0.000 2.126) 8.811 7.498 ( 0.766 0.000 3.068) 3.162 7.521 ( -0.145 0.000 4.548) 4.550 8.551 ( -0.396 0.000 -5.304) 5.319 8.647 ( -2.677 0.000 -4.573) 5.299 8.759 ( -5.761 0.000 9.596) 11.193 9.131 ( 0.674 0.000 0.277) 0.729 9.236 ( -0.395 0.000 0.343) 0.524 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 11.325 0.000 -3.649) 11.898 0.559 ( 12.189 0.000 4.915) 13.142 0.918 ( 19.998 0.000 6.098) 20.908 1.081 ( -0.011 0.000 0.050) 0.051 1.152 ( 1.791 0.000 3.987) 4.371 1.230 ( 2.237 0.000 0.667) 2.334 1.385 ( -2.000 0.000 3.683) 4.191 1.433 ( 0.816 0.000 -1.288) 1.525 1.512 ( -2.180 0.000 1.493) 2.642 1.586 ( -2.182 0.000 -2.467) 3.294 1.594 ( -0.514 0.000 -3.569) 3.606 1.658 ( -0.648 0.000 -0.196) 0.677 1.723 ( 3.221 0.000 -1.982) 3.782 1.794 ( -2.252 0.000 -1.138) 2.523 1.813 ( 1.166 0.000 1.091) 1.597 1.934 ( -1.185 0.000 -5.074) 5.211 1.976 ( -3.410 0.000 3.191) 4.670 1.981 ( 2.952 0.000 -0.354) 2.973 2.110 ( -0.508 0.000 0.581) 0.772 2.184 ( 2.208 0.000 -2.936) 3.673 2.214 ( -4.491 0.000 3.819) 5.895 2.258 ( -1.375 0.000 0.201) 1.390 2.374 ( -1.867 0.000 0.094) 1.869 2.537 ( 1.529 0.000 -1.540) 2.170 2.575 ( -0.564 0.000 1.235) 1.358 2.648 ( -0.513 0.000 -1.138) 1.248 2.776 ( -3.616 0.000 4.136) 5.494 2.805 ( 1.887 0.000 0.287) 1.909 2.867 ( 8.437 0.000 -1.259) 8.531 2.965 ( -0.734 0.000 -2.378) 2.489 2.984 ( -5.212 0.000 -0.021) 5.212 3.030 ( 0.647 0.000 0.130) 0.660 3.097 ( 2.288 0.000 -6.250) 6.656 3.306 ( -1.984 0.000 -0.545) 2.058 3.663 ( 1.933 0.000 -3.368) 3.883 3.929 ( 0.757 0.000 -1.912) 2.056 4.006 ( 4.663 0.000 -14.120) 14.870 4.631 ( -0.930 0.000 0.934) 1.318 4.729 ( 1.007 0.000 -0.322) 1.057 5.352 ( 1.367 0.000 0.993) 1.690 5.408 ( -0.981 0.000 1.430) 1.734 5.441 ( -3.935 0.000 -9.631) 10.404 5.456 ( 1.416 0.000 0.552) 1.520 5.725 ( -2.812 0.000 3.277) 4.319 5.835 ( -1.326 0.000 -0.050) 1.327 5.953 ( 0.477 0.000 -10.047) 10.058 6.195 ( -7.369 0.000 7.647) 10.620 6.339 ( -1.979 0.000 -4.166) 4.612 6.688 ( 5.406 0.000 -0.513) 5.430 6.756 ( -2.041 0.000 14.515) 14.658 7.050 ( 2.624 0.000 6.366) 6.886 7.140 ( 2.892 0.000 9.842) 10.259 7.243 ( 4.218 0.000 1.190) 4.383 7.520 ( 0.911 0.000 4.216) 4.314 7.533 ( 1.231 0.000 1.895) 2.260 8.518 ( -3.634 0.000 -3.392) 4.971 8.573 ( -3.971 0.000 -7.207) 8.228 8.635 ( -6.137 0.000 1.579) 6.337 9.148 ( 0.942 0.000 0.270) 0.980 9.230 ( -0.167 0.000 0.293) 0.337 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 7.400 0.000 -2.409) 7.783 0.750 ( 6.774 0.000 2.542) 7.235 1.110 ( 2.408 0.000 0.151) 2.413 1.206 ( 5.680 0.000 5.469) 7.885 1.207 ( 3.144 0.000 3.458) 4.674 1.260 ( 2.662 0.000 1.405) 3.010 1.382 ( 2.569 0.000 -0.029) 2.569 1.440 ( 0.327 0.000 -2.594) 2.615 1.497 ( 0.180 0.000 4.349) 4.352 1.548 ( -1.001 0.000 0.076) 1.004 1.572 ( -1.503 0.000 -3.761) 4.050 1.655 ( 0.867 0.000 -0.230) 0.897 1.750 ( -1.988 0.000 -2.103) 2.893 1.785 ( -2.384 0.000 -3.034) 3.859 1.819 ( 3.890 0.000 -0.352) 3.906 1.902 ( -0.928 0.000 1.464) 1.733 1.934 ( -0.525 0.000 -2.558) 2.611 2.027 ( 0.992 0.000 0.333) 1.046 2.117 ( -5.805 0.000 4.171) 7.148 2.118 ( 1.696 0.000 -0.579) 1.792 2.223 ( 1.818 0.000 -1.559) 2.395 2.232 ( -1.319 0.000 0.604) 1.451 2.335 ( -1.943 0.000 -0.655) 2.050 2.565 ( -0.462 0.000 1.432) 1.504 2.578 ( 2.783 0.000 -2.067) 3.467 2.650 ( 0.532 0.000 -0.439) 0.690 2.728 ( -1.787 0.000 2.677) 3.219 2.826 ( -1.270 0.000 0.955) 1.589 2.872 ( -4.175 0.000 -1.300) 4.373 2.943 ( -0.615 0.000 -1.359) 1.492 3.027 ( 7.511 0.000 -0.785) 7.552 3.030 ( -0.176 0.000 0.928) 0.944 3.153 ( 3.028 0.000 -4.434) 5.369 3.258 ( -3.096 0.000 -0.266) 3.107 3.682 ( 0.490 0.000 -1.825) 1.890 3.941 ( 0.633 0.000 -1.811) 1.918 4.103 ( 6.436 0.000 -8.334) 10.530 4.609 ( -1.146 0.000 0.803) 1.399 4.751 ( 1.005 0.000 -0.285) 1.045 5.309 ( -9.596 0.000 -2.506) 9.918 5.378 ( 1.003 0.000 0.994) 1.412 5.392 ( -0.743 0.000 0.792) 1.086 5.480 ( 0.963 0.000 0.538) 1.103 5.623 ( -6.758 0.000 2.529) 7.216 5.811 ( -1.023 0.000 -0.085) 1.027 5.825 ( -4.029 0.000 -2.593) 4.791 6.295 ( 8.156 0.000 1.025) 8.220 6.308 ( -0.950 0.000 -2.156) 2.356 6.737 ( -1.054 0.000 5.645) 5.742 6.776 ( 3.628 0.000 -2.014) 4.150 7.117 ( 3.363 0.000 7.650) 8.356 7.199 ( 1.908 0.000 8.694) 8.901 7.277 ( -0.405 0.000 -1.923) 1.965 7.539 ( 0.556 0.000 2.768) 2.823 7.569 ( 1.910 0.000 1.019) 2.165 8.389 ( -7.226 0.000 -3.173) 7.892 8.495 ( -2.967 0.000 -5.768) 6.487 8.577 ( -1.014 0.000 0.185) 1.030 9.164 ( 0.671 0.000 0.096) 0.678 9.229 ( -0.008 0.000 0.216) 0.217 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 0.000 -0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 -0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 -0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 -0.000) 0.000 1.511 ( 0.000 0.000 -0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 -0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 -0.000) 0.000 1.936 ( 0.000 0.000 -0.000) 0.000 2.031 ( 0.000 0.000 -0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 -0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 -0.000) 0.000 2.560 ( 0.000 0.000 -0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 -0.000) 0.000 2.712 ( 0.000 0.000 -0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 -0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.129 ( -0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 -0.000) 0.000 3.946 ( 0.000 0.000 -0.000) 0.000 4.180 ( 0.000 0.000 -0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 -0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 -0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 -0.000) 0.000 7.546 ( 0.000 0.000 -0.000) 0.000 7.591 ( 0.000 0.000 -0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 9.171 ( 0.000 0.000 -0.000) 0.000 9.230 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 0.000 13.902 0.000) 13.902 0.297 ( 0.000 15.181 0.000) 15.181 0.499 ( 0.000 23.924 0.000) 23.924 1.028 ( 0.000 -9.192 0.000) 9.192 1.099 ( 0.000 -7.161 0.000) 7.161 1.198 ( 0.000 -0.756 0.000) 0.756 1.351 ( 0.000 -0.099 0.000) 0.099 1.419 ( 0.000 1.135 0.000) 1.135 1.500 ( 0.000 -1.149 0.000) 1.149 1.606 ( 0.000 -4.797 0.000) 4.797 1.621 ( 0.000 -3.605 0.000) 3.605 1.681 ( 0.000 -3.980 0.000) 3.980 1.730 ( 0.000 3.850 0.000) 3.850 1.800 ( 0.000 0.249 0.000) 0.249 1.830 ( 0.000 4.771 0.000) 4.771 1.942 ( 0.000 -3.186 0.000) 3.186 1.956 ( 0.000 1.076 0.000) 1.076 2.083 ( 0.000 5.492 0.000) 5.492 2.143 ( 0.000 2.420 0.000) 2.420 2.215 ( 0.000 4.944 0.000) 4.944 2.264 ( 0.000 -2.597 0.000) 2.597 2.341 ( 0.000 0.512 0.000) 0.512 2.417 ( 0.000 -0.668 0.000) 0.668 2.539 ( 0.000 -4.277 0.000) 4.277 2.552 ( 0.000 4.071 0.000) 4.071 2.647 ( 0.000 -1.874 0.000) 1.874 2.674 ( 0.000 -2.436 0.000) 2.436 2.725 ( 0.000 -0.923 0.000) 0.923 2.865 ( 0.000 -1.940 0.000) 1.940 2.976 ( 0.000 1.172 0.000) 1.172 3.004 ( 0.000 3.139 0.000) 3.139 3.066 ( 0.000 1.425 0.000) 1.425 3.123 ( 0.000 -2.280 0.000) 2.280 3.319 ( 0.000 -3.068 0.000) 3.068 3.728 ( 0.000 2.403 0.000) 2.403 3.851 ( 0.000 -0.872 0.000) 0.872 4.050 ( 0.000 10.088 0.000) 10.088 4.633 ( 0.000 0.880 0.000) 0.880 4.718 ( 0.000 -0.771 0.000) 0.771 4.735 ( 0.000 -5.995 0.000) 5.995 5.373 ( 0.000 2.714 0.000) 2.714 5.459 ( 0.000 -0.319 0.000) 0.319 5.624 ( 0.000 -0.591 0.000) 0.591 5.722 ( 0.000 -1.491 0.000) 1.491 5.785 ( 0.000 5.698 0.000) 5.698 6.013 ( 0.000 -1.065 0.000) 1.065 6.217 ( 0.000 0.761 0.000) 0.761 6.460 ( 0.000 -3.572 0.000) 3.572 6.841 ( 0.000 3.529 0.000) 3.529 6.953 ( 0.000 0.154 0.000) 0.154 7.007 ( 0.000 0.480 0.000) 0.480 7.080 ( 0.000 8.714 0.000) 8.714 7.337 ( 0.000 -8.090 0.000) 8.090 7.527 ( 0.000 0.471 0.000) 0.471 8.022 ( 0.000 -0.443 0.000) 0.443 8.156 ( 0.000 -3.870 0.000) 3.870 8.686 ( 0.000 -0.099 0.000) 0.099 8.765 ( 0.000 -1.498 0.000) 1.498 9.132 ( 0.000 0.812 0.000) 0.812 9.223 ( 0.000 -1.560 0.000) 1.560 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 8.097 11.094 -3.815) 14.254 0.423 ( 11.272 8.592 3.927) 14.707 0.662 ( 14.492 16.543 4.748) 22.500 1.038 ( -0.554 -9.317 1.980) 9.541 1.065 ( -0.442 -5.210 -1.180) 5.360 1.215 ( 1.123 0.639 1.921) 2.315 1.361 ( 0.818 -1.490 -0.803) 1.880 1.416 ( -0.537 0.438 4.443) 4.497 1.521 ( 1.868 0.116 -4.070) 4.479 1.576 ( -1.980 -4.301 -1.015) 4.842 1.635 ( -2.106 0.070 -1.360) 2.508 1.640 ( 0.630 -2.348 1.411) 2.811 1.733 ( -0.262 1.676 0.030) 1.697 1.808 ( -0.427 -0.297 2.523) 2.576 1.826 ( 0.992 3.074 0.223) 3.237 1.932 ( -1.077 -2.546 -0.420) 2.796 1.960 ( 0.972 1.382 -2.892) 3.349 2.069 ( -1.736 4.596 1.001) 5.013 2.139 ( -0.498 2.148 -0.559) 2.275 2.195 ( -1.491 2.834 1.269) 3.445 2.264 ( 0.231 -1.028 -2.210) 2.448 2.308 ( -3.183 1.494 1.364) 3.771 2.394 ( -1.787 -1.120 1.637) 2.670 2.526 ( -0.477 -3.166 -1.265) 3.443 2.553 ( -0.384 1.143 1.028) 1.584 2.650 ( -0.668 -2.319 0.153) 2.418 2.686 ( 1.399 -3.435 -0.336) 3.724 2.760 ( 4.108 0.782 0.675) 4.236 2.872 ( -0.098 -1.671 -1.550) 2.282 2.919 ( -2.646 0.286 0.929) 2.819 3.033 ( 0.290 1.370 0.992) 1.717 3.082 ( 1.970 3.244 -5.257) 6.484 3.099 ( -2.193 -0.934 -0.314) 2.404 3.317 ( -0.554 -2.253 -0.711) 2.426 3.748 ( 3.249 6.957 -2.750) 8.156 3.920 ( 5.159 -2.059 -16.874) 17.765 4.008 ( -2.179 10.574 -1.444) 10.893 4.644 ( 0.468 1.059 0.200) 1.175 4.716 ( -0.068 -0.643 0.076) 0.651 4.985 ( 16.313 -19.064 -0.620) 25.098 5.379 ( 0.598 2.486 -0.007) 2.557 5.456 ( -0.311 -0.107 0.702) 0.775 5.580 ( -3.299 1.600 -5.537) 6.641 5.716 ( -0.694 -2.113 1.721) 2.812 5.801 ( 1.471 3.302 -0.008) 3.615 6.028 ( 1.644 4.050 -4.137) 6.019 6.198 ( -2.523 -4.763 2.790) 6.069 6.457 ( -2.793 -5.593 -0.787) 6.301 6.619 ( -12.464 6.177 1.042) 13.950 6.952 ( -3.566 -1.490 10.620) 11.301 7.088 ( 1.226 6.301 4.380) 7.772 7.125 ( 7.946 0.994 1.887) 8.228 7.292 ( -3.826 6.273 0.457) 7.362 7.530 ( -0.525 -0.170 3.520) 3.563 7.614 ( -10.613 15.297 5.646) 19.455 8.377 ( 4.397 -13.141 -2.172) 14.026 8.658 ( -2.751 0.315 -3.407) 4.390 8.737 ( -3.987 -1.731 1.269) 4.528 9.137 ( 0.482 0.619 0.539) 0.952 9.220 ( -0.324 -1.495 0.321) 1.563 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 9.589 7.435 -3.570) 12.648 0.652 ( 11.201 6.548 4.231) 13.648 0.967 ( 13.407 5.241 4.599) 15.111 1.026 ( 2.434 -5.443 1.573) 6.167 1.106 ( 3.100 -5.131 0.113) 5.996 1.239 ( 0.922 0.686 2.559) 2.805 1.354 ( -0.998 -0.837 -0.517) 1.401 1.429 ( 1.277 1.034 3.408) 3.783 1.527 ( -1.168 -0.032 1.555) 1.945 1.560 ( 1.053 -0.657 -3.701) 3.904 1.622 ( 0.033 -0.113 -1.244) 1.249 1.641 ( -0.650 0.181 1.337) 1.497 1.724 ( 0.353 -1.138 -2.267) 2.561 1.798 ( -0.497 0.643 0.946) 1.247 1.845 ( 0.235 2.108 -0.044) 2.121 1.905 ( -1.702 -2.137 -1.737) 3.238 1.998 ( 2.042 2.219 -2.547) 3.947 2.018 ( -2.070 3.144 0.746) 3.838 2.115 ( -2.142 0.692 -0.007) 2.251 2.174 ( -0.505 -1.707 1.163) 2.127 2.242 ( -3.559 2.241 2.544) 4.916 2.274 ( 0.933 2.502 -2.818) 3.882 2.363 ( -1.609 -1.109 0.959) 2.177 2.523 ( 0.083 -4.423 -1.145) 4.570 2.548 ( 0.270 0.451 -0.166) 0.551 2.641 ( -0.046 -0.402 0.294) 0.501 2.711 ( 0.883 -4.235 1.445) 4.561 2.821 ( -0.816 -1.541 1.558) 2.339 2.871 ( 3.922 0.869 -0.792) 4.094 2.906 ( -0.534 -3.290 -2.371) 4.090 3.022 ( -1.258 2.790 1.776) 3.538 3.059 ( -1.088 0.383 -0.859) 1.438 3.110 ( 1.350 2.573 -5.719) 6.414 3.293 ( -1.789 -1.421 -0.823) 2.429 3.824 ( 4.235 11.776 -6.690) 14.191 3.962 ( 0.134 3.259 -6.183) 6.991 4.017 ( 4.524 4.323 -5.486) 8.322 4.643 ( -0.666 1.218 0.729) 1.568 4.723 ( 0.814 -0.692 -0.270) 1.102 5.204 ( 6.344 -14.755 -1.688) 16.149 5.393 ( 0.776 1.848 -0.117) 2.007 5.453 ( 0.127 -0.024 1.073) 1.080 5.510 ( -3.261 3.256 -3.578) 5.834 5.695 ( -1.907 -2.495 2.101) 3.778 5.829 ( 1.038 0.778 0.690) 1.469 6.011 ( -9.222 3.619 -6.726) 11.974 6.119 ( -0.751 -5.462 2.504) 6.055 6.303 ( -5.559 -5.590 0.796) 7.923 6.559 ( 1.479 2.495 2.976) 4.156 6.932 ( 0.905 -0.645 11.951) 12.002 7.133 ( 2.313 4.297 7.165) 8.669 7.225 ( -1.022 5.626 4.478) 7.263 7.257 ( 3.286 8.421 -1.540) 9.170 7.518 ( 0.491 0.343 2.517) 2.587 7.576 ( 0.736 4.637 3.517) 5.866 8.400 ( -0.516 -11.401 -2.581) 11.701 8.574 ( -5.537 0.177 -4.393) 7.071 8.625 ( -6.329 -0.930 -2.680) 6.935 9.150 ( 0.799 0.301 0.342) 0.920 9.215 ( -0.122 -1.372 0.340) 1.418 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 6.619 5.408 -2.293) 8.850 0.829 ( 6.069 6.236 2.438) 9.037 1.069 ( 4.340 -4.193 1.156) 6.144 1.165 ( 2.517 -4.368 0.116) 5.043 1.197 ( 5.673 -0.517 3.977) 6.947 1.255 ( 1.039 0.081 3.308) 3.469 1.349 ( 0.287 0.289 -3.141) 3.167 1.459 ( 2.111 0.984 2.184) 3.193 1.520 ( 0.067 1.691 3.430) 3.825 1.581 ( 0.713 1.241 -2.352) 2.753 1.615 ( -0.726 3.264 0.690) 3.414 1.625 ( 0.097 -2.097 -0.259) 2.115 1.724 ( -1.518 -2.352 -2.611) 3.827 1.805 ( -0.285 0.462 -1.950) 2.025 1.840 ( 0.472 1.376 0.424) 1.515 1.869 ( -0.399 -1.681 -1.334) 2.183 1.959 ( -1.245 2.677 -0.771) 3.052 2.043 ( -2.413 1.381 0.739) 2.877 2.094 ( 2.467 -0.638 -0.421) 2.583 2.162 ( -1.873 1.909 2.903) 3.947 2.193 ( -0.831 -0.604 -0.268) 1.062 2.289 ( 0.746 3.884 -1.442) 4.210 2.334 ( -1.402 -0.219 -0.056) 1.420 2.517 ( -0.468 -4.910 -0.021) 4.933 2.579 ( 2.962 0.445 -1.472) 3.338 2.646 ( 0.293 -0.191 0.480) 0.594 2.717 ( -0.223 -1.946 1.882) 2.716 2.799 ( -2.480 -2.567 0.691) 3.635 2.860 ( -1.686 0.969 -2.314) 3.022 2.954 ( 2.727 -1.949 1.578) 3.705 3.018 ( 0.823 2.689 0.534) 2.862 3.059 ( 1.305 0.194 -1.422) 1.940 3.125 ( 0.814 -1.732 -3.699) 4.164 3.244 ( -3.206 -1.457 -0.549) 3.565 3.868 ( 0.982 15.022 -4.616) 15.746 3.964 ( 0.686 2.308 -1.529) 2.852 4.132 ( 7.428 5.250 -5.745) 10.759 4.627 ( -0.836 1.759 0.601) 2.038 4.740 ( 0.870 -1.033 -0.275) 1.379 5.223 ( -4.088 -7.744 -1.073) 8.822 5.400 ( -0.437 0.963 -0.072) 1.060 5.449 ( -2.059 4.868 -0.135) 5.287 5.469 ( 0.905 -1.028 0.676) 1.528 5.624 ( -5.506 -0.034 2.501) 6.047 5.794 ( -4.964 -0.962 -0.880) 5.133 5.852 ( -0.521 2.038 -1.076) 2.363 6.159 ( 1.884 -6.969 -1.733) 7.425 6.267 ( 0.202 -13.500 0.322) 13.506 6.611 ( 3.072 5.696 3.359) 7.291 6.996 ( 3.872 3.152 5.911) 7.737 7.177 ( -0.126 4.971 2.371) 5.509 7.188 ( -1.105 0.139 7.158) 7.244 7.315 ( 2.005 7.002 -0.870) 7.335 7.543 ( 1.236 0.504 1.697) 2.159 7.596 ( 0.925 2.959 1.531) 3.457 8.355 ( -4.067 -6.011 -3.012) 7.858 8.471 ( -2.892 -2.071 -2.839) 4.551 8.524 ( -3.765 -3.013 -2.838) 5.595 9.165 ( 0.594 0.087 0.107) 0.609 9.215 ( 0.012 -1.291 0.224) 1.310 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 4.703 -0.000) 4.703 0.886 ( 0.000 5.723 0.000) 5.723 1.126 ( 0.000 -2.011 -0.000) 2.011 1.184 ( 0.000 -3.728 0.000) 3.728 1.236 ( 0.000 -1.314 0.000) 1.314 1.301 ( -0.000 -4.273 -0.000) 4.273 1.326 ( 0.000 2.974 0.000) 2.974 1.513 ( 0.000 0.257 -0.000) 0.257 1.520 ( 0.000 1.568 -0.000) 1.568 1.569 ( 0.000 1.277 0.000) 1.277 1.602 ( 0.000 3.843 0.000) 3.843 1.653 ( 0.000 -1.958 0.000) 1.958 1.679 ( -0.000 -2.082 -0.000) 2.082 1.780 ( 0.000 1.049 0.000) 1.049 1.847 ( 0.000 -0.923 0.000) 0.923 1.900 ( 0.000 -0.847 0.000) 0.847 1.966 ( 0.000 2.641 -0.000) 2.641 1.981 ( -0.000 -0.269 0.000) 0.269 2.129 ( 0.000 4.917 -0.000) 4.917 2.139 ( 0.000 -0.157 0.000) 0.157 2.188 ( 0.000 -1.894 -0.000) 1.894 2.296 ( 0.000 4.023 0.000) 4.023 2.318 ( 0.000 0.443 -0.000) 0.443 2.512 ( 0.000 -4.842 -0.000) 4.842 2.630 ( -0.000 0.968 0.000) 0.968 2.645 ( 0.000 -0.966 -0.000) 0.966 2.728 ( -0.000 0.368 -0.000) 0.368 2.730 ( 0.000 -2.569 0.000) 2.569 2.857 ( 0.000 0.956 0.000) 0.956 2.971 ( 0.000 1.660 -0.000) 1.660 3.030 ( 0.000 1.136 -0.000) 1.136 3.100 ( -0.000 -2.776 0.000) 2.776 3.126 ( 0.000 -4.155 0.000) 4.155 3.195 ( 0.000 -1.223 0.000) 1.223 3.871 ( 0.000 14.937 -0.000) 14.937 3.972 ( 0.000 2.329 0.000) 2.329 4.222 ( 0.000 6.440 -0.000) 6.440 4.619 ( 0.000 2.027 0.000) 2.027 4.750 ( 0.000 -1.062 0.000) 1.062 5.141 ( 0.000 -3.642 0.000) 3.642 5.389 ( 0.000 0.453 0.000) 0.453 5.435 ( 0.000 4.122 -0.000) 4.122 5.482 ( 0.000 -0.997 0.000) 0.997 5.566 ( 0.000 0.860 0.000) 0.860 5.756 ( 0.000 -2.356 0.000) 2.356 5.850 ( 0.000 3.475 0.000) 3.475 6.173 ( 0.000 -7.722 0.000) 7.722 6.274 ( 0.000 -18.924 0.000) 18.924 6.651 ( 0.000 8.616 0.000) 8.616 7.054 ( 0.000 9.393 0.000) 9.393 7.141 ( 0.000 -3.307 -0.000) 3.307 7.204 ( 0.000 -1.605 0.000) 1.605 7.333 ( 0.000 9.293 0.000) 9.293 7.557 ( -0.000 0.896 -0.000) 0.896 7.608 ( 0.000 2.210 -0.000) 2.210 8.298 ( 0.000 -2.349 0.000) 2.349 8.452 ( 0.000 -0.865 0.000) 0.865 8.482 ( 0.000 -7.485 0.000) 7.485 9.171 ( 0.000 0.010 -0.000) 0.010 9.215 ( 0.000 -1.264 -0.000) 1.264 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 14.030 0.000) 14.030 0.588 ( 0.000 14.587 0.000) 14.587 0.805 ( 0.000 -12.950 0.000) 12.950 0.822 ( 0.000 -2.580 0.000) 2.580 0.977 ( 0.000 6.320 0.000) 6.320 1.150 ( 0.000 -5.253 0.000) 5.253 1.380 ( 0.000 3.609 0.000) 3.609 1.449 ( 0.000 1.735 0.000) 1.735 1.503 ( 0.000 -7.163 0.000) 7.163 1.506 ( 0.000 -1.562 0.000) 1.562 1.530 ( 0.000 0.463 0.000) 0.463 1.598 ( 0.000 -4.450 0.000) 4.450 1.786 ( 0.000 1.548 0.000) 1.548 1.800 ( 0.000 -0.241 0.000) 0.241 1.883 ( 0.000 0.965 0.000) 0.965 1.899 ( 0.000 -1.192 0.000) 1.192 2.032 ( 0.000 6.022 0.000) 6.022 2.144 ( 0.000 -4.209 0.000) 4.209 2.188 ( 0.000 4.400 0.000) 4.400 2.226 ( 0.000 0.036 0.000) 0.036 2.314 ( 0.000 4.309 0.000) 4.309 2.351 ( 0.000 0.221 0.000) 0.221 2.401 ( 0.000 -0.451 0.000) 0.451 2.445 ( 0.000 -4.697 0.000) 4.697 2.592 ( 0.000 -1.837 0.000) 1.837 2.603 ( 0.000 -2.216 0.000) 2.216 2.658 ( 0.000 4.191 0.000) 4.191 2.719 ( 0.000 -1.330 0.000) 1.330 2.868 ( 0.000 2.103 0.000) 2.103 2.936 ( 0.000 -4.126 0.000) 4.126 3.049 ( 0.000 1.464 0.000) 1.464 3.068 ( 0.000 -0.817 0.000) 0.817 3.157 ( 0.000 4.446 0.000) 4.446 3.245 ( 0.000 -4.342 0.000) 4.342 3.780 ( 0.000 2.653 0.000) 2.653 3.825 ( 0.000 -1.868 0.000) 1.868 4.295 ( 0.000 13.954 0.000) 13.954 4.550 ( 0.000 -11.324 0.000) 11.324 4.668 ( 0.000 1.293 0.000) 1.293 4.697 ( 0.000 -1.390 0.000) 1.390 5.423 ( 0.000 1.998 0.000) 1.998 5.449 ( 0.000 -0.798 0.000) 0.798 5.637 ( 0.000 1.817 0.000) 1.817 5.682 ( 0.000 -2.445 0.000) 2.445 5.901 ( 0.000 5.446 0.000) 5.446 5.979 ( 0.000 -2.657 0.000) 2.657 6.259 ( 0.000 3.995 0.000) 3.995 6.364 ( 0.000 -5.918 0.000) 5.918 6.921 ( 0.000 3.556 0.000) 3.556 6.953 ( 0.000 -0.308 0.000) 0.308 7.038 ( 0.000 3.657 0.000) 3.657 7.167 ( 0.000 -8.648 0.000) 8.648 7.291 ( 0.000 11.610 0.000) 11.610 7.475 ( 0.000 -6.250 0.000) 6.250 8.021 ( 0.000 0.800 0.000) 0.800 8.069 ( 0.000 -4.140 0.000) 4.140 8.696 ( 0.000 1.164 0.000) 1.164 8.728 ( 0.000 -2.005 0.000) 2.005 9.155 ( 0.000 1.466 0.000) 1.466 9.188 ( 0.000 -1.890 0.000) 1.890 ======================= Grid point 19 (12/78) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 5.525 11.207 -0.225) 12.497 0.622 ( 4.046 11.807 -0.534) 12.492 0.827 ( 1.584 -11.134 2.382) 11.496 0.856 ( 3.411 -8.606 -0.811) 9.293 1.024 ( 5.195 11.360 1.636) 12.598 1.188 ( 2.962 -4.014 1.089) 5.106 1.382 ( 0.016 3.152 -0.132) 3.154 1.451 ( 0.616 3.026 4.184) 5.201 1.475 ( -1.317 -4.888 0.527) 5.090 1.547 ( 1.798 1.141 -3.170) 3.819 1.553 ( 2.908 -5.199 1.266) 6.090 1.598 ( 0.414 -2.931 -3.449) 4.545 1.776 ( -1.988 1.729 3.015) 4.004 1.798 ( -0.966 -0.751 3.235) 3.458 1.870 ( 0.119 1.382 -0.420) 1.449 1.891 ( -0.408 -1.230 -0.472) 1.379 2.028 ( -0.001 5.311 -1.930) 5.651 2.132 ( -1.462 -3.486 -0.163) 3.784 2.171 ( -1.495 3.493 -1.584) 4.117 2.202 ( -2.723 0.683 -0.042) 2.808 2.309 ( -0.340 3.631 1.300) 3.872 2.339 ( -1.247 1.496 -0.850) 2.125 2.366 ( -2.446 -1.371 2.629) 3.843 2.420 ( -1.601 -5.747 0.288) 5.973 2.585 ( -0.646 0.083 -2.188) 2.283 2.617 ( 0.926 -2.844 -3.121) 4.323 2.655 ( 0.083 3.815 2.392) 4.504 2.736 ( 1.131 -3.192 1.435) 3.678 2.865 ( 0.039 0.971 -1.135) 1.494 2.899 ( -2.621 -2.135 0.411) 3.406 3.061 ( 0.640 1.196 0.627) 1.495 3.074 ( 0.145 -0.473 -1.337) 1.426 3.172 ( 1.257 4.496 -2.286) 5.198 3.255 ( 0.592 -3.880 -1.187) 4.101 3.834 ( 5.302 2.921 -6.354) 8.776 3.881 ( 5.220 -2.100 -9.548) 11.082 4.305 ( 1.420 17.875 1.235) 17.974 4.649 ( 8.833 -16.148 1.502) 18.468 4.671 ( 0.329 0.733 0.224) 0.833 4.698 ( 0.103 -1.359 0.141) 1.370 5.425 ( 0.178 1.843 0.156) 1.858 5.449 ( -0.036 -0.700 0.458) 0.837 5.617 ( -1.752 2.469 -1.728) 3.486 5.669 ( -1.183 -2.691 -0.052) 2.940 5.891 ( -0.794 5.353 0.534) 5.438 5.993 ( 0.755 -4.821 1.777) 5.193 6.232 ( -3.172 5.295 -2.813) 6.783 6.346 ( -3.368 -5.963 -1.556) 7.023 6.745 ( -9.521 6.800 2.401) 11.944 6.873 ( -6.392 -5.871 5.525) 10.288 7.150 ( 5.850 1.590 2.313) 6.488 7.173 ( 1.070 0.364 2.200) 2.474 7.367 ( 5.298 6.449 3.444) 9.029 7.489 ( 1.060 -4.397 3.876) 5.956 7.885 ( -7.837 11.769 0.139) 14.140 8.118 ( 0.870 -12.858 -1.333) 12.956 8.669 ( -2.733 1.072 -3.023) 4.214 8.700 ( -3.142 -1.906 -2.436) 4.409 9.156 ( 0.121 1.295 0.518) 1.400 9.186 ( -0.152 -1.774 0.385) 1.822 ======================= Grid point 20 (13/78) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 6.910 9.706 -2.300) 12.134 0.754 ( 8.981 4.660 3.310) 10.646 0.881 ( 4.188 -6.531 1.767) 7.957 0.940 ( 5.017 -9.697 -1.636) 11.040 1.149 ( 6.395 8.425 2.638) 10.901 1.239 ( 1.945 -1.221 1.754) 2.889 1.379 ( -0.049 2.821 -0.020) 2.821 1.457 ( -0.510 -3.380 1.257) 3.642 1.494 ( 3.008 3.309 4.655) 6.455 1.580 ( 1.719 -0.398 -1.559) 2.354 1.604 ( 1.029 -2.182 -0.088) 2.414 1.619 ( 2.638 -1.424 -2.651) 4.002 1.712 ( -3.924 1.508 1.282) 4.395 1.774 ( -1.652 -3.498 2.420) 4.563 1.878 ( -0.142 1.461 -0.898) 1.720 1.891 ( 0.057 0.363 -0.549) 0.661 2.042 ( 1.812 2.452 -1.537) 3.414 2.081 ( -3.411 0.510 0.500) 3.485 2.134 ( -2.921 1.416 -0.296) 3.259 2.148 ( -0.984 0.047 -1.317) 1.645 2.287 ( -2.118 3.279 2.315) 4.538 2.328 ( 0.702 1.784 -2.025) 2.788 2.343 ( -0.616 -0.724 1.532) 1.803 2.400 ( -0.653 -6.966 -0.349) 7.005 2.574 ( 0.308 1.882 -2.819) 3.403 2.629 ( 0.898 -3.220 -3.316) 4.709 2.667 ( 0.582 2.794 3.329) 4.385 2.751 ( 0.041 -4.708 2.280) 5.231 2.868 ( 0.288 -0.335 -0.774) 0.891 2.878 ( 1.103 -0.675 -0.641) 1.444 3.058 ( -1.284 1.021 -0.167) 1.649 3.067 ( -0.355 0.294 -0.260) 0.530 3.178 ( -0.693 3.883 -2.962) 4.932 3.249 ( -1.317 -3.126 -1.432) 3.682 3.932 ( 5.039 2.330 -8.174) 9.881 3.965 ( 4.311 -1.206 -10.161) 11.103 4.365 ( 4.766 24.576 1.197) 25.063 4.673 ( -0.060 1.727 0.289) 1.752 4.702 ( 0.352 -1.559 -0.021) 1.598 4.838 ( 9.304 -22.122 -0.119) 23.999 5.428 ( 0.001 1.427 0.291) 1.457 5.448 ( -0.175 -0.619 0.791) 1.020 5.576 ( -1.993 3.541 -1.686) 4.400 5.641 ( -1.634 -3.043 0.268) 3.464 5.876 ( -0.836 3.945 1.742) 4.393 5.974 ( -4.956 -5.689 2.318) 7.893 6.115 ( -6.779 3.758 -5.609) 9.567 6.197 ( -9.884 -4.697 -2.550) 11.236 6.680 ( 2.089 7.958 6.484) 10.475 6.836 ( 2.120 -7.403 9.521) 12.245 7.197 ( 0.627 2.460 5.713) 6.252 7.227 ( 1.420 -0.835 3.554) 3.917 7.460 ( 3.697 5.768 1.692) 7.057 7.518 ( 1.489 -0.974 2.479) 3.051 7.776 ( -3.246 15.774 -0.085) 16.105 8.112 ( -0.695 -17.191 -1.560) 17.276 8.583 ( -5.670 0.759 -4.351) 7.187 8.603 ( -5.982 -1.206 -4.569) 7.623 9.162 ( 0.430 0.898 0.402) 1.074 9.186 ( 0.070 -1.505 0.390) 1.557 ======================= Grid point 21 (14/78) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 5.059 8.118 -1.115) 9.631 0.918 ( 6.214 2.315 2.591) 7.119 0.983 ( 5.700 -3.666 1.589) 6.961 1.026 ( 3.728 -8.132 -2.231) 9.220 1.243 ( 2.651 3.261 2.227) 4.757 1.266 ( 0.723 0.520 1.598) 1.829 1.391 ( 1.146 3.791 -0.708) 4.023 1.466 ( 1.532 -1.709 1.779) 2.904 1.559 ( 2.998 1.132 4.180) 5.267 1.592 ( -0.945 2.670 -0.804) 2.944 1.610 ( 0.527 -2.784 1.426) 3.172 1.639 ( -1.837 2.973 -1.440) 3.780 1.659 ( -0.928 -3.597 -2.111) 4.273 1.738 ( -2.667 -5.458 0.255) 6.080 1.873 ( 0.736 1.967 -1.198) 2.418 1.889 ( 0.295 0.832 -0.963) 1.307 2.023 ( -2.081 2.836 -0.347) 3.534 2.051 ( -2.340 -0.415 1.403) 2.760 2.117 ( 1.979 2.268 -0.615) 3.072 2.148 ( 0.613 -1.191 -0.251) 1.363 2.254 ( -1.336 5.208 0.667) 5.418 2.334 ( -0.219 0.419 0.371) 0.601 2.343 ( 0.541 0.890 -0.743) 1.279 2.390 ( -0.392 -7.455 -0.395) 7.475 2.599 ( 2.529 1.902 -2.758) 4.198 2.649 ( 1.399 -1.652 -2.104) 3.019 2.678 ( 0.072 0.878 2.786) 2.921 2.737 ( -1.750 -3.598 1.516) 4.278 2.893 ( 1.669 1.586 -0.724) 2.414 2.919 ( 3.288 -1.308 0.777) 3.623 3.036 ( -0.380 0.098 0.102) 0.405 3.054 ( -0.822 -1.170 0.373) 1.478 3.137 ( -2.946 3.084 -2.934) 5.177 3.201 ( -3.247 -2.947 -1.277) 4.567 3.997 ( 2.527 1.999 -5.125) 6.053 4.017 ( 1.962 0.419 -5.659) 6.004 4.479 ( 6.186 25.794 -0.612) 26.532 4.669 ( -0.401 2.200 0.094) 2.238 4.714 ( 1.000 -1.294 -0.125) 1.640 4.968 ( 3.651 -19.369 -0.992) 19.735 5.421 ( -0.930 1.161 0.420) 1.546 5.445 ( -0.127 -1.294 0.745) 1.498 5.543 ( -1.256 4.398 -0.783) 4.641 5.608 ( -1.942 -2.075 0.965) 3.001 5.799 ( -8.311 2.336 0.647) 8.657 5.873 ( -0.178 -2.159 1.508) 2.639 6.019 ( -6.951 -4.582 -2.698) 8.752 6.056 ( -1.315 -5.444 -1.143) 5.716 6.780 ( 6.035 9.252 5.164) 12.194 6.938 ( 6.394 -6.556 6.521) 11.242 7.194 ( -1.755 1.003 5.806) 6.147 7.211 ( -3.026 -0.446 2.110) 3.716 7.510 ( 1.659 5.923 -0.999) 6.231 7.551 ( 1.519 -0.075 0.560) 1.621 7.750 ( -0.062 15.392 0.777) 15.412 8.102 ( -0.088 -17.766 -0.857) 17.787 8.464 ( -5.213 0.853 -3.161) 6.156 8.487 ( -4.970 -1.426 -4.394) 6.785 9.170 ( 0.378 0.562 0.147) 0.693 9.188 ( 0.136 -1.258 0.202) 1.281 ======================= Grid point 22 (15/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 7.448 -0.000) 7.448 0.977 ( 0.000 2.791 0.000) 2.791 1.058 ( -0.000 -7.269 -0.000) 7.269 1.058 ( 0.000 -3.900 0.000) 3.900 1.265 ( 0.000 2.019 0.000) 2.019 1.274 ( 0.000 0.274 -0.000) 0.274 1.402 ( 0.000 5.603 0.000) 5.603 1.503 ( 0.000 -2.291 -0.000) 2.291 1.576 ( 0.000 2.332 0.000) 2.332 1.600 ( 0.000 3.266 0.000) 3.266 1.601 ( 0.000 -1.261 0.000) 1.261 1.626 ( -0.000 -2.328 -0.000) 2.328 1.631 ( 0.000 -2.043 -0.000) 2.043 1.698 ( 0.000 -5.368 0.000) 5.368 1.892 ( -0.000 1.560 -0.000) 1.560 1.897 ( 0.000 0.314 0.000) 0.314 2.007 ( 0.000 1.869 -0.000) 1.869 2.012 ( -0.000 1.432 0.000) 1.432 2.144 ( 0.000 0.541 -0.000) 0.541 2.155 ( -0.000 -0.672 0.000) 0.672 2.241 ( 0.000 6.379 -0.000) 6.379 2.332 ( 0.000 1.193 -0.000) 1.193 2.348 ( 0.000 0.438 0.000) 0.438 2.385 ( 0.000 -7.595 0.000) 7.595 2.643 ( -0.000 1.468 0.000) 1.468 2.657 ( 0.000 1.601 -0.000) 1.601 2.691 ( -0.000 -1.639 0.000) 1.639 2.697 ( 0.000 -2.993 -0.000) 2.993 2.911 ( 0.000 3.834 0.000) 3.834 2.970 ( 0.000 -1.357 -0.000) 1.357 3.039 ( 0.000 -2.168 0.000) 2.168 3.052 ( 0.000 -2.924 -0.000) 2.924 3.088 ( 0.000 3.605 0.000) 3.605 3.154 ( 0.000 -2.910 0.000) 2.910 4.019 ( 0.000 1.995 -0.000) 1.995 4.032 ( 0.000 1.568 0.000) 1.568 4.550 ( 0.000 22.697 0.000) 22.697 4.663 ( 0.000 2.072 0.000) 2.072 4.731 ( 0.000 0.472 0.000) 0.472 4.989 ( 0.000 -13.877 0.000) 13.877 5.406 ( 0.000 1.435 0.000) 1.435 5.445 ( 0.000 -2.278 0.000) 2.278 5.530 ( 0.000 4.624 -0.000) 4.624 5.583 ( 0.000 -0.039 0.000) 0.039 5.723 ( 0.000 0.782 -0.000) 0.782 5.883 ( 0.000 -16.096 0.000) 16.096 5.934 ( 0.000 5.109 -0.000) 5.109 6.046 ( 0.000 -6.380 0.000) 6.380 6.858 ( -0.000 10.560 0.000) 10.560 7.035 ( 0.000 -7.463 -0.000) 7.463 7.147 ( 0.000 2.111 0.000) 2.111 7.176 ( 0.000 -1.232 0.000) 1.232 7.525 ( 0.000 5.456 -0.000) 5.456 7.567 ( -0.000 -0.232 0.000) 0.232 7.754 ( 0.000 15.369 -0.000) 15.369 8.102 ( -0.000 -17.010 0.000) 17.010 8.410 ( 0.000 0.166 0.000) 0.166 8.430 ( 0.000 -1.328 0.000) 1.328 9.174 ( 0.000 0.430 -0.000) 0.430 9.190 ( 0.000 -1.155 -0.000) 1.155 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 3.041 0.000 12.118) 12.494 0.336 ( 5.217 0.000 15.621) 16.469 0.530 ( 0.847 0.000 23.863) 23.878 1.062 ( 0.174 0.000 -1.758) 1.767 1.190 ( 4.358 0.000 -1.455) 4.595 1.190 ( 0.536 0.000 1.467) 1.562 1.318 ( 2.652 0.000 -5.910) 6.478 1.385 ( -1.319 0.000 2.232) 2.592 1.561 ( -2.549 0.000 -6.016) 6.534 1.563 ( -1.632 0.000 1.174) 2.010 1.636 ( -0.438 0.000 -1.776) 1.829 1.667 ( -2.525 0.000 -3.836) 4.593 1.698 ( -0.104 0.000 -0.130) 0.167 1.791 ( 2.386 0.000 2.006) 3.117 1.808 ( 1.595 0.000 -0.086) 1.597 1.837 ( -1.338 0.000 -6.437) 6.575 1.959 ( 0.425 0.000 0.039) 0.427 2.087 ( 0.756 0.000 -2.190) 2.317 2.102 ( 0.494 0.000 1.429) 1.512 2.236 ( -2.130 0.000 9.742) 9.972 2.325 ( 0.349 0.000 2.859) 2.880 2.345 ( 0.193 0.000 0.589) 0.620 2.405 ( 2.287 0.000 -0.866) 2.446 2.492 ( -0.113 0.000 -4.062) 4.064 2.560 ( 0.498 0.000 -1.025) 1.140 2.641 ( -0.963 0.000 1.233) 1.564 2.709 ( -2.818 0.000 -1.597) 3.239 2.747 ( 3.971 0.000 -0.635) 4.021 2.891 ( 2.747 0.000 -1.181) 2.990 2.940 ( -0.328 0.000 -1.754) 1.784 3.026 ( -1.815 0.000 4.644) 4.986 3.078 ( -2.072 0.000 1.726) 2.697 3.177 ( -1.498 0.000 1.410) 2.057 3.321 ( -0.364 0.000 -2.794) 2.817 3.629 ( -3.589 0.000 3.132) 4.763 3.920 ( -1.058 0.000 0.572) 1.203 4.197 ( -42.360 0.000 4.862) 42.638 4.636 ( -0.033 0.000 1.138) 1.139 4.730 ( 0.229 0.000 0.277) 0.360 4.799 ( 8.234 0.000 -0.261) 8.238 5.329 ( 0.606 0.000 0.873) 1.062 5.421 ( 1.129 0.000 -0.725) 1.342 5.511 ( -2.323 0.000 -0.001) 2.323 5.721 ( 0.427 0.000 0.517) 0.670 5.799 ( -1.193 0.000 0.793) 1.432 5.845 ( 0.046 0.000 -1.768) 1.769 6.377 ( -4.248 0.000 -3.325) 5.395 6.611 ( 0.579 0.000 6.192) 6.219 6.712 ( 0.373 0.000 -13.422) 13.427 6.821 ( 4.386 0.000 0.756) 4.450 7.029 ( 6.796 0.000 -1.947) 7.070 7.077 ( 3.429 0.000 3.795) 5.115 7.438 ( -3.688 0.000 0.512) 3.723 7.550 ( 2.999 0.000 5.388) 6.166 7.779 ( 28.809 0.000 -0.163) 28.809 8.187 ( -6.262 0.000 -1.342) 6.404 8.624 ( -4.589 0.000 -4.693) 6.564 8.794 ( 4.202 0.000 0.850) 4.287 9.133 ( -0.529 0.000 0.607) 0.806 9.240 ( 1.240 0.000 -1.941) 2.304 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 6.526 0.000 11.837) 13.516 0.515 ( 10.127 0.000 12.378) 15.992 0.738 ( 15.987 0.000 15.773) 22.458 1.064 ( 0.166 0.000 -1.524) 1.533 1.218 ( 2.052 0.000 2.479) 3.218 1.232 ( 0.209 0.000 2.700) 2.708 1.377 ( 3.504 0.000 -7.258) 8.059 1.392 ( 1.141 0.000 -0.210) 1.160 1.515 ( -3.100 0.000 1.423) 3.411 1.516 ( -0.626 0.000 -6.139) 6.171 1.610 ( -1.941 0.000 -0.701) 2.064 1.624 ( -0.835 0.000 -4.846) 4.917 1.688 ( -0.716 0.000 0.273) 0.766 1.803 ( -1.234 0.000 -3.944) 4.132 1.812 ( -1.328 0.000 -1.058) 1.698 1.832 ( 1.209 0.000 -1.130) 1.654 1.954 ( -0.323 0.000 0.488) 0.585 2.107 ( -0.213 0.000 0.427) 0.478 2.111 ( 1.053 0.000 -1.827) 2.109 2.191 ( -3.307 0.000 7.183) 7.908 2.323 ( -1.068 0.000 3.178) 3.353 2.338 ( -0.686 0.000 2.917) 2.996 2.407 ( -1.771 0.000 -0.017) 1.771 2.480 ( -0.519 0.000 -4.126) 4.158 2.567 ( 0.196 0.000 -1.745) 1.756 2.655 ( -2.016 0.000 0.358) 2.048 2.702 ( 6.000 0.000 -0.009) 6.000 2.816 ( 1.903 0.000 -0.497) 1.967 2.907 ( -1.414 0.000 -1.557) 2.104 2.918 ( -1.551 0.000 -0.476) 1.623 2.990 ( -1.788 0.000 6.443) 6.687 3.048 ( -0.516 0.000 0.832) 0.979 3.122 ( -3.997 0.000 0.840) 4.084 3.301 ( -1.220 0.000 -2.943) 3.186 3.583 ( -1.021 0.000 -0.094) 1.025 3.706 ( -5.701 0.000 3.734) 6.815 3.904 ( -0.672 0.000 -0.428) 0.797 4.651 ( 0.877 0.000 1.278) 1.550 4.727 ( -0.329 0.000 0.311) 0.453 5.089 ( 14.063 0.000 -7.092) 15.750 5.346 ( 1.001 0.000 0.876) 1.330 5.437 ( 0.507 0.000 0.213) 0.550 5.488 ( -0.532 0.000 1.434) 1.530 5.745 ( 1.624 0.000 -0.609) 1.735 5.807 ( 2.006 0.000 2.147) 2.938 5.838 ( -0.567 0.000 -1.664) 1.758 6.308 ( -2.500 0.000 -2.467) 3.512 6.530 ( -12.256 0.000 -4.101) 12.924 6.633 ( 1.321 0.000 1.954) 2.359 6.906 ( 0.287 0.000 -3.716) 3.727 7.179 ( 8.106 0.000 3.146) 8.695 7.183 ( 5.744 0.000 3.072) 6.514 7.320 ( -7.499 0.000 7.606) 10.681 7.606 ( 1.497 0.000 6.364) 6.538 7.637 ( -10.695 0.000 2.401) 10.961 8.427 ( 8.579 0.000 -5.032) 9.946 8.522 ( -4.777 0.000 -6.364) 7.958 8.786 ( -5.446 0.000 -2.238) 5.887 9.142 ( 1.011 0.000 0.091) 1.015 9.241 ( -0.753 0.000 -0.734) 1.051 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 8.924 0.000 9.604) 13.110 0.713 ( 8.574 0.000 8.628) 12.164 1.068 ( 0.753 0.000 -0.902) 1.175 1.073 ( 15.774 0.000 7.562) 17.494 1.246 ( 1.228 0.000 4.255) 4.428 1.267 ( 2.319 0.000 2.553) 3.449 1.387 ( -0.931 0.000 -3.719) 3.833 1.420 ( -1.502 0.000 -6.348) 6.524 1.453 ( -0.373 0.000 1.089) 1.152 1.525 ( 1.244 0.000 -2.394) 2.698 1.586 ( -0.059 0.000 1.555) 1.556 1.651 ( 4.286 0.000 -4.418) 6.155 1.675 ( -0.739 0.000 1.450) 1.628 1.760 ( -3.360 0.000 -2.165) 3.997 1.772 ( -1.577 0.000 -4.551) 4.816 1.839 ( -0.229 0.000 -1.991) 2.004 1.975 ( 2.445 0.000 -0.548) 2.506 2.072 ( -3.813 0.000 2.778) 4.718 2.111 ( -0.782 0.000 -0.481) 0.918 2.156 ( -0.564 0.000 0.882) 1.047 2.300 ( -1.458 0.000 3.612) 3.896 2.321 ( -2.057 0.000 6.349) 6.674 2.354 ( -2.849 0.000 -1.575) 3.255 2.472 ( 0.370 0.000 -5.224) 5.237 2.566 ( 0.121 0.000 -1.705) 1.709 2.642 ( 0.494 0.000 1.572) 1.648 2.799 ( 0.038 0.000 -1.284) 1.284 2.826 ( 0.374 0.000 1.533) 1.578 2.881 ( 3.230 0.000 -0.340) 3.247 2.893 ( -2.685 0.000 -5.869) 6.454 2.981 ( -0.051 0.000 5.877) 5.877 3.043 ( -2.498 0.000 -0.728) 2.602 3.075 ( 2.536 0.000 3.621) 4.421 3.272 ( -1.451 0.000 -2.579) 2.959 3.587 ( 1.398 0.000 -3.163) 3.458 3.729 ( 5.088 0.000 -9.494) 10.772 3.891 ( -0.531 0.000 -1.503) 1.594 4.655 ( -0.933 0.000 1.150) 1.481 4.731 ( 0.934 0.000 0.377) 1.007 5.247 ( 3.425 0.000 -6.531) 7.374 5.365 ( 0.801 0.000 0.169) 0.819 5.439 ( -0.346 0.000 1.183) 1.233 5.488 ( 0.307 0.000 1.458) 1.490 5.760 ( 0.054 0.000 -0.082) 0.098 5.822 ( -0.885 0.000 -1.082) 1.398 5.838 ( -2.391 0.000 -1.351) 2.747 6.277 ( -0.578 0.000 -1.571) 1.674 6.341 ( -3.838 0.000 5.139) 6.414 6.668 ( 2.205 0.000 -0.919) 2.389 6.830 ( -6.457 0.000 -4.011) 7.601 7.218 ( 0.485 0.000 6.084) 6.103 7.297 ( 0.406 0.000 3.371) 3.395 7.328 ( 6.380 0.000 6.268) 8.944 7.534 ( -1.389 0.000 -3.184) 3.474 7.596 ( -3.516 0.000 1.849) 3.973 8.455 ( -1.111 0.000 -2.354) 2.603 8.490 ( -0.821 0.000 0.611) 1.023 8.649 ( -6.401 0.000 0.457) 6.417 9.160 ( 0.781 0.000 0.280) 0.830 9.228 ( -0.389 0.000 -0.432) 0.582 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 8.145 0.000 8.729) 11.938 0.839 ( 3.399 0.000 5.294) 6.291 1.098 ( 1.995 0.000 -0.837) 2.163 1.266 ( -3.305 0.000 -0.601) 3.359 1.267 ( -0.327 0.000 0.495) 0.593 1.310 ( 7.122 0.000 0.585) 7.146 1.349 ( -2.171 0.000 0.507) 2.229 1.390 ( 2.578 0.000 -0.839) 2.711 1.481 ( 0.931 0.000 -2.917) 3.061 1.555 ( 1.668 0.000 0.378) 1.710 1.617 ( 0.729 0.000 5.110) 5.162 1.664 ( 1.603 0.000 0.550) 1.695 1.713 ( -0.872 0.000 -1.172) 1.461 1.718 ( -1.219 0.000 -2.783) 3.038 1.758 ( 4.743 0.000 -4.737) 6.703 1.830 ( -0.103 0.000 -2.722) 2.724 1.997 ( -3.629 0.000 2.523) 4.420 2.019 ( 1.266 0.000 -1.281) 1.801 2.100 ( 0.428 0.000 -0.833) 0.936 2.128 ( -3.527 0.000 -2.153) 4.132 2.278 ( -1.267 0.000 3.546) 3.766 2.281 ( -0.835 0.000 3.613) 3.708 2.320 ( -1.289 0.000 1.549) 2.015 2.481 ( 1.026 0.000 -6.360) 6.443 2.578 ( 1.574 0.000 -1.160) 1.955 2.671 ( 2.089 0.000 2.949) 3.614 2.739 ( -3.660 0.000 -1.485) 3.950 2.791 ( -6.194 0.000 -5.389) 8.210 2.842 ( 0.864 0.000 0.384) 0.946 2.966 ( 1.785 0.000 1.854) 2.573 3.008 ( -1.019 0.000 -1.880) 2.139 3.030 ( 5.723 0.000 2.536) 6.260 3.165 ( 5.180 0.000 3.893) 6.480 3.235 ( -2.325 0.000 -1.896) 3.000 3.620 ( 2.207 0.000 -3.858) 4.444 3.852 ( 9.223 0.000 -13.198) 16.101 3.885 ( 0.281 0.000 -2.802) 2.816 4.626 ( -1.755 0.000 0.654) 1.873 4.755 ( 1.178 0.000 0.629) 1.336 5.227 ( -4.233 0.000 -4.158) 5.933 5.372 ( -0.119 0.000 -0.827) 0.836 5.429 ( -0.774 0.000 1.709) 1.876 5.497 ( 0.261 0.000 0.819) 0.859 5.685 ( -7.745 0.000 2.799) 8.235 5.777 ( 0.181 0.000 -1.380) 1.392 5.806 ( -0.601 0.000 -0.323) 0.683 6.280 ( 0.948 0.000 -0.307) 0.997 6.403 ( 5.734 0.000 7.616) 9.533 6.691 ( -6.790 0.000 -9.006) 11.279 6.711 ( 2.407 0.000 -3.146) 3.961 7.231 ( -5.991 0.000 -3.018) 6.708 7.271 ( 2.892 0.000 6.081) 6.734 7.405 ( -2.011 0.000 9.581) 9.790 7.496 ( -3.402 0.000 -7.507) 8.242 7.546 ( 1.789 0.000 -2.636) 3.186 8.423 ( -3.992 0.000 5.613) 6.887 8.480 ( 3.193 0.000 4.614) 5.611 8.591 ( -0.792 0.000 1.200) 1.438 9.173 ( 0.552 0.000 0.396) 0.680 9.223 ( -0.196 0.000 -0.674) 0.702 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.937 0.000 10.331) 10.511 0.853 ( -2.487 0.000 3.245) 4.088 1.116 ( -0.297 0.000 -1.454) 1.484 1.175 ( -4.137 0.000 -4.531) 6.136 1.228 ( -3.450 0.000 -2.389) 4.197 1.300 ( -2.937 0.000 -0.610) 2.999 1.393 ( 1.593 0.000 0.544) 1.683 1.462 ( -2.624 0.000 -2.834) 3.862 1.469 ( 4.314 0.000 2.463) 4.968 1.541 ( -2.888 0.000 -0.639) 2.957 1.598 ( -0.893 0.000 0.477) 1.012 1.705 ( -0.201 0.000 2.122) 2.132 1.730 ( 3.878 0.000 0.277) 3.888 1.749 ( 3.846 0.000 2.711) 4.705 1.818 ( -0.326 0.000 -2.635) 2.655 1.868 ( 4.767 0.000 -4.046) 6.252 1.948 ( -1.451 0.000 0.485) 1.530 2.019 ( -0.378 0.000 -1.105) 1.168 2.036 ( -3.962 0.000 -1.234) 4.150 2.118 ( 0.641 0.000 -1.985) 2.086 2.261 ( -0.753 0.000 3.819) 3.892 2.294 ( -0.026 0.000 -1.423) 1.423 2.313 ( 1.390 0.000 5.855) 6.018 2.488 ( 0.407 0.000 -6.146) 6.160 2.619 ( 2.268 0.000 -1.601) 2.776 2.662 ( -4.682 0.000 -2.005) 5.093 2.680 ( -1.968 0.000 -2.298) 3.025 2.747 ( 4.214 0.000 1.929) 4.634 2.851 ( 0.006 0.000 -0.567) 0.567 2.987 ( 0.642 0.000 3.960) 4.012 2.994 ( -0.199 0.000 -2.529) 2.537 3.125 ( 0.587 0.000 -0.153) 0.606 3.189 ( 0.252 0.000 -1.120) 1.148 3.251 ( 2.789 0.000 4.664) 5.434 3.659 ( 2.213 0.000 -2.472) 3.318 3.901 ( 1.726 0.000 -3.620) 4.010 4.032 ( 9.431 0.000 -12.339) 15.530 4.600 ( -0.813 0.000 0.200) 0.838 4.770 ( 0.252 0.000 0.817) 0.855 5.152 ( -0.029 0.000 -1.831) 1.832 5.359 ( -0.914 0.000 -1.417) 1.686 5.415 ( -0.863 0.000 1.460) 1.696 5.492 ( -0.839 0.000 -0.057) 0.841 5.606 ( -0.879 0.000 4.059) 4.153 5.795 ( 1.849 0.000 0.230) 1.863 5.801 ( 0.140 0.000 0.117) 0.183 6.311 ( 2.221 0.000 1.436) 2.645 6.445 ( -4.908 0.000 0.762) 4.967 6.589 ( -0.871 0.000 -8.117) 8.164 6.745 ( 1.334 0.000 -4.987) 5.162 7.089 ( -6.825 0.000 -4.859) 8.378 7.252 ( -10.180 0.000 -1.843) 10.345 7.329 ( 1.671 0.000 4.587) 4.882 7.495 ( 0.440 0.000 -0.195) 0.482 7.564 ( 0.075 0.000 -1.341) 1.343 8.412 ( 2.328 0.000 7.827) 8.166 8.566 ( 4.492 0.000 8.174) 9.327 8.585 ( -0.322 0.000 1.350) 1.387 9.180 ( 0.060 0.000 0.619) 0.622 9.217 ( -0.289 0.000 -1.024) 1.064 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -8.733 0.000 2.407) 9.059 0.801 ( -7.289 0.000 9.718) 12.148 1.089 ( -2.079 0.000 -1.368) 2.488 1.101 ( -5.374 0.000 -2.572) 5.957 1.146 ( -3.786 0.000 -2.506) 4.540 1.233 ( -3.143 0.000 -1.775) 3.610 1.371 ( -2.955 0.000 0.247) 2.965 1.427 ( 0.185 0.000 -2.110) 2.119 1.480 ( -1.673 0.000 1.166) 2.039 1.560 ( 3.319 0.000 1.060) 3.484 1.592 ( 0.327 0.000 -0.821) 0.883 1.710 ( 0.290 0.000 3.315) 3.328 1.774 ( -1.746 0.000 -3.509) 3.920 1.795 ( 1.097 0.000 1.923) 2.214 1.827 ( -0.207 0.000 -0.234) 0.312 1.845 ( -0.252 0.000 -1.396) 1.419 2.011 ( 0.969 0.000 1.377) 1.684 2.012 ( -0.500 0.000 -1.042) 1.156 2.030 ( 7.090 0.000 -2.832) 7.635 2.104 ( -1.480 0.000 -1.735) 2.281 2.266 ( 0.832 0.000 3.674) 3.767 2.289 ( -0.262 0.000 2.167) 2.183 2.348 ( 0.955 0.000 2.635) 2.803 2.486 ( 0.168 0.000 -6.412) 6.414 2.593 ( -2.006 0.000 -1.193) 2.334 2.647 ( 0.761 0.000 -0.311) 0.822 2.669 ( 1.243 0.000 -2.119) 2.457 2.820 ( -0.085 0.000 0.486) 0.493 2.876 ( 5.185 0.000 -0.023) 5.186 2.996 ( 0.736 0.000 -2.205) 2.325 3.004 ( 0.429 0.000 3.608) 3.633 3.039 ( -6.402 0.000 0.158) 6.404 3.248 ( 3.206 0.000 -1.144) 3.404 3.274 ( -0.916 0.000 5.248) 5.328 3.696 ( 1.647 0.000 -0.497) 1.721 3.935 ( 1.866 0.000 -2.509) 3.126 4.139 ( 3.091 0.000 -5.229) 6.074 4.600 ( 0.705 0.000 -0.038) 0.706 4.766 ( -0.836 0.000 0.977) 1.286 5.283 ( 12.650 0.000 -4.519) 13.433 5.339 ( -0.848 0.000 -1.731) 1.928 5.401 ( -0.736 0.000 0.967) 1.215 5.468 ( -1.655 0.000 -0.519) 1.735 5.630 ( 2.159 0.000 2.988) 3.686 5.810 ( 0.757 0.000 -0.068) 0.760 5.868 ( 6.503 0.000 2.000) 6.804 6.274 ( -9.908 0.000 -9.780) 13.922 6.367 ( 3.266 0.000 3.510) 4.795 6.577 ( -1.579 0.000 1.187) 1.975 6.740 ( -1.546 0.000 -5.654) 5.861 6.989 ( -2.872 0.000 -4.931) 5.707 7.068 ( -7.928 0.000 -4.316) 9.027 7.330 ( -2.135 0.000 3.150) 3.805 7.489 ( -0.809 0.000 0.496) 0.949 7.546 ( -1.630 0.000 -0.390) 1.676 8.511 ( 6.067 0.000 6.733) 9.063 8.579 ( -0.291 0.000 0.380) 0.478 8.654 ( 3.361 0.000 7.611) 8.320 9.175 ( -0.608 0.000 1.038) 1.203 9.211 ( -0.145 0.000 -1.472) 1.479 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -11.922 0.000 3.817) 12.518 0.619 ( -12.013 0.000 7.281) 14.047 0.889 ( -14.994 0.000 5.014) 15.810 1.057 ( -0.237 0.000 -1.695) 1.712 1.096 ( -1.405 0.000 -1.675) 2.186 1.214 ( -0.349 0.000 -1.730) 1.765 1.332 ( -0.963 0.000 0.048) 0.964 1.455 ( -1.447 0.000 0.929) 1.720 1.455 ( 3.177 0.000 -2.790) 4.229 1.606 ( 1.290 0.000 -0.905) 1.576 1.614 ( 1.945 0.000 -0.246) 1.960 1.711 ( -0.714 0.000 2.931) 3.017 1.727 ( -1.552 0.000 -1.527) 2.177 1.775 ( -2.221 0.000 -0.870) 2.385 1.810 ( 0.257 0.000 0.231) 0.346 1.883 ( 0.976 0.000 -4.473) 4.579 1.981 ( -2.348 0.000 -0.678) 2.444 2.045 ( 2.079 0.000 2.462) 3.222 2.086 ( -0.040 0.000 -1.639) 1.640 2.166 ( 6.857 0.000 -0.690) 6.892 2.284 ( -0.881 0.000 5.494) 5.564 2.291 ( 1.109 0.000 2.977) 3.177 2.355 ( 0.099 0.000 -0.127) 0.161 2.485 ( 0.605 0.000 -6.271) 6.300 2.570 ( -0.777 0.000 0.592) 0.977 2.661 ( 0.961 0.000 0.152) 0.973 2.718 ( 3.556 0.000 -0.924) 3.674 2.792 ( -1.943 0.000 -1.039) 2.204 2.894 ( -7.566 0.000 0.689) 7.597 2.966 ( 2.173 0.000 -1.233) 2.498 3.027 ( 0.806 0.000 3.202) 3.302 3.032 ( 3.863 0.000 -0.126) 3.865 3.235 ( -3.290 0.000 5.360) 6.289 3.294 ( 1.875 0.000 -1.622) 2.479 3.714 ( -0.069 0.000 1.375) 1.377 3.955 ( 0.176 0.000 -0.030) 0.178 4.190 ( 3.688 0.000 1.804) 4.105 4.622 ( 1.340 0.000 0.095) 1.344 4.744 ( -1.315 0.000 0.925) 1.608 5.326 ( -0.393 0.000 -1.275) 1.334 5.393 ( -0.041 0.000 0.073) 0.084 5.418 ( -3.941 0.000 -3.179) 5.063 5.517 ( 9.880 0.000 -6.036) 11.577 5.674 ( 1.998 0.000 1.488) 2.491 5.827 ( 0.902 0.000 -0.692) 1.137 6.027 ( 0.684 0.000 -7.080) 7.113 6.137 ( 5.637 0.000 -2.243) 6.067 6.437 ( 3.082 0.000 4.328) 5.314 6.551 ( 0.681 0.000 8.248) 8.276 6.671 ( -4.726 0.000 -2.024) 5.141 6.956 ( -0.556 0.000 -4.064) 4.102 6.957 ( -2.889 0.000 -6.675) 7.273 7.259 ( -5.184 0.000 2.600) 5.800 7.479 ( -0.075 0.000 1.001) 1.004 7.512 ( -1.733 0.000 -0.052) 1.734 8.555 ( -1.692 0.000 -2.398) 2.935 8.637 ( 4.923 0.000 4.377) 6.587 8.703 ( 0.895 0.000 4.289) 4.381 9.163 ( -0.736 0.000 1.418) 1.597 9.210 ( 0.240 0.000 -1.709) 1.726 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -7.769 0.000 10.150) 12.782 0.375 ( -13.152 0.000 7.032) 14.914 0.626 ( -11.707 0.000 16.500) 20.231 1.064 ( -0.008 0.000 -2.475) 2.475 1.105 ( 3.470 0.000 -1.201) 3.672 1.194 ( -0.985 0.000 -0.214) 1.008 1.315 ( -0.899 0.000 -3.096) 3.224 1.421 ( -2.121 0.000 1.272) 2.473 1.533 ( 4.277 0.000 -2.200) 4.809 1.605 ( -1.089 0.000 -4.189) 4.328 1.647 ( 0.490 0.000 0.476) 0.684 1.694 ( -0.611 0.000 1.742) 1.846 1.710 ( -1.168 0.000 -2.179) 2.473 1.753 ( 0.539 0.000 1.739) 1.821 1.799 ( -0.866 0.000 -0.922) 1.265 1.871 ( -1.197 0.000 -6.450) 6.560 1.953 ( -0.252 0.000 -0.288) 0.382 2.083 ( 1.374 0.000 2.479) 2.835 2.087 ( 0.084 0.000 -1.892) 1.894 2.259 ( -0.967 0.000 7.373) 7.436 2.292 ( 4.624 0.000 1.788) 4.958 2.312 ( 0.719 0.000 2.435) 2.539 2.365 ( 1.134 0.000 -1.656) 2.007 2.493 ( 0.627 0.000 -5.053) 5.092 2.558 ( -0.386 0.000 0.518) 0.646 2.690 ( 2.112 0.000 0.041) 2.113 2.721 ( -5.528 0.000 0.750) 5.579 2.753 ( -1.857 0.000 -1.352) 2.297 2.827 ( 2.964 0.000 -0.234) 2.973 2.965 ( -1.349 0.000 -2.063) 2.464 3.039 ( -0.088 0.000 3.311) 3.312 3.095 ( 1.009 0.000 1.108) 1.499 3.188 ( -1.278 0.000 4.069) 4.265 3.318 ( 0.881 0.000 -2.247) 2.414 3.690 ( -2.647 0.000 3.189) 4.144 3.943 ( -1.254 0.000 1.218) 1.748 4.316 ( 9.248 0.000 5.046) 10.535 4.640 ( 0.394 0.000 0.732) 0.831 4.727 ( -0.313 0.000 0.448) 0.547 5.228 ( -20.437 0.000 -15.526) 25.666 5.322 ( 0.061 0.000 0.014) 0.062 5.401 ( 0.891 0.000 -0.879) 1.252 5.580 ( -2.585 0.000 -8.091) 8.494 5.712 ( 1.202 0.000 0.994) 1.559 5.841 ( 0.610 0.000 -1.372) 1.501 5.883 ( -8.183 0.000 -6.661) 10.551 6.426 ( 19.736 0.000 -0.181) 19.737 6.456 ( -2.285 0.000 -2.067) 3.081 6.602 ( -1.391 0.000 7.561) 7.688 6.754 ( 16.536 0.000 14.517) 22.004 6.943 ( 2.355 0.000 -7.065) 7.447 6.960 ( 4.132 0.000 2.437) 4.797 7.187 ( 1.570 0.000 8.637) 8.779 7.482 ( -1.539 0.000 -0.311) 1.570 7.497 ( 1.807 0.000 2.796) 3.329 8.462 ( -9.126 0.000 -8.239) 12.295 8.694 ( -2.102 0.000 -0.349) 2.131 8.715 ( 3.176 0.000 4.515) 5.520 9.150 ( -0.912 0.000 1.207) 1.513 9.218 ( 0.906 0.000 -1.738) 1.960 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 1.223 9.357 7.992) 12.366 0.421 ( 1.000 8.499 10.717) 13.715 0.721 ( 2.268 15.390 15.965) 22.291 1.032 ( 0.545 -6.061 0.402) 6.099 1.101 ( 0.449 -6.922 0.826) 6.985 1.197 ( 1.986 -0.247 -0.612) 2.093 1.311 ( 2.496 0.840 -6.797) 7.289 1.358 ( -1.311 -2.638 0.101) 2.948 1.512 ( -1.575 0.123 -0.529) 1.666 1.549 ( 0.680 -4.806 -3.113) 5.767 1.633 ( -2.327 -1.614 -1.244) 3.093 1.660 ( -1.727 2.053 -1.049) 2.881 1.708 ( 2.782 -0.449 -0.371) 2.842 1.774 ( 1.408 -1.382 -1.958) 2.779 1.844 ( 0.048 3.021 -2.361) 3.835 1.873 ( 0.014 1.584 -1.161) 1.964 1.980 ( -0.968 2.442 0.959) 2.797 2.078 ( 0.971 0.964 -1.697) 2.180 2.132 ( -0.783 1.708 -0.703) 2.006 2.227 ( 0.013 -0.304 2.881) 2.897 2.301 ( -1.254 -1.745 2.019) 2.949 2.371 ( 0.420 1.293 2.880) 3.184 2.406 ( 2.160 -0.387 -0.207) 2.204 2.490 ( 0.121 -1.689 -3.633) 4.009 2.558 ( -0.038 1.074 0.160) 1.086 2.650 ( 0.305 -0.345 0.016) 0.461 2.680 ( -1.242 -1.055 0.626) 1.746 2.746 ( 2.012 -0.404 0.140) 2.057 2.913 ( -0.455 -0.205 1.222) 1.320 2.930 ( 0.747 1.645 -1.777) 2.534 3.002 ( -0.613 -1.160 0.778) 1.525 3.126 ( -1.312 2.909 2.458) 4.028 3.136 ( -2.428 -3.110 2.002) 4.424 3.299 ( -0.617 -2.124 -1.940) 2.942 3.705 ( -5.105 5.732 1.772) 7.877 3.945 ( -7.769 -0.547 2.633) 8.221 4.123 ( -15.059 1.551 6.509) 16.479 4.644 ( 0.372 0.621 0.966) 1.207 4.723 ( 0.269 -0.723 0.321) 0.835 4.736 ( 4.798 -6.106 -0.100) 7.766 5.375 ( 0.096 3.036 0.219) 3.045 5.445 ( 0.942 0.829 -1.468) 1.931 5.539 ( -1.943 2.054 -3.103) 4.198 5.718 ( 0.613 -2.764 -1.143) 3.053 5.798 ( -0.052 4.412 1.066) 4.539 5.946 ( 0.244 5.098 -2.256) 5.580 6.269 ( -1.362 -5.161 0.148) 5.340 6.507 ( -2.013 -4.397 2.719) 5.548 6.831 ( -8.118 3.772 -2.428) 9.275 6.878 ( 13.431 4.126 -3.290) 14.430 7.016 ( 5.595 -0.472 -0.358) 5.626 7.153 ( 3.081 7.688 4.157) 9.267 7.354 ( -1.440 -7.360 1.134) 7.585 7.570 ( 3.581 0.296 4.027) 5.397 7.879 ( 13.247 5.745 -6.819) 15.968 8.151 ( -5.571 -3.720 -0.935) 6.764 8.634 ( -4.028 0.595 -5.010) 6.456 8.749 ( 1.302 -3.556 -0.139) 3.789 9.134 ( 0.040 0.348 0.316) 0.472 9.213 ( 0.717 -1.967 -1.328) 2.479 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 5.433 6.691 9.156) 12.575 0.568 ( 10.627 4.759 8.831) 14.614 0.869 ( 10.586 11.150 12.230) 19.646 1.041 ( -0.134 -4.102 -0.867) 4.194 1.099 ( 0.520 -9.212 3.678) 9.932 1.253 ( 3.042 -0.324 1.080) 3.245 1.341 ( -0.525 -1.500 -1.317) 2.064 1.364 ( 3.558 0.532 -7.404) 8.232 1.500 ( 0.194 0.444 2.034) 2.091 1.555 ( 1.122 -2.968 -2.723) 4.181 1.581 ( -2.399 -1.315 -1.377) 3.063 1.640 ( -0.483 2.744 -2.116) 3.499 1.728 ( -0.829 2.173 -0.135) 2.329 1.787 ( -0.215 0.170 -3.288) 3.300 1.837 ( -0.588 1.640 -4.492) 4.818 1.860 ( -0.966 1.612 0.817) 2.049 1.961 ( -0.520 1.149 1.224) 1.758 2.097 ( 0.425 0.009 -0.471) 0.635 2.108 ( -1.407 -0.160 -1.369) 1.970 2.231 ( 0.113 2.029 2.354) 3.110 2.268 ( -2.495 -2.649 2.063) 4.183 2.363 ( -1.296 0.648 3.161) 3.477 2.409 ( -1.631 -0.162 0.244) 1.657 2.474 ( -1.179 -1.521 -3.122) 3.667 2.550 ( -0.661 -0.608 -1.002) 1.346 2.648 ( -0.818 -0.094 1.279) 1.521 2.710 ( 4.066 -1.285 0.314) 4.275 2.788 ( 2.110 -1.259 1.023) 2.661 2.880 ( -2.038 -1.389 2.306) 3.377 2.924 ( -2.292 0.626 -3.310) 4.074 3.011 ( 1.171 1.233 1.997) 2.623 3.064 ( -2.565 0.084 1.141) 2.808 3.111 ( -2.004 0.831 1.717) 2.766 3.284 ( -0.682 -1.707 -2.037) 2.744 3.657 ( 0.339 4.225 -4.950) 6.516 3.734 ( -5.921 2.136 1.905) 6.577 4.018 ( -1.285 12.007 0.946) 12.113 4.659 ( 0.750 0.848 1.115) 1.590 4.722 ( -0.215 -0.590 0.342) 0.715 4.950 ( 12.851 -11.686 -1.679) 17.451 5.382 ( 0.572 2.782 0.335) 2.860 5.458 ( 0.585 0.894 -0.534) 1.194 5.506 ( -1.295 1.908 -0.901) 2.476 5.721 ( -0.039 -3.416 -0.984) 3.555 5.808 ( 0.935 3.678 0.747) 3.868 5.949 ( 0.037 6.637 -2.305) 7.026 6.233 ( -2.599 -5.748 0.467) 6.326 6.427 ( -6.967 -6.564 -3.016) 10.036 6.675 ( -5.600 5.675 3.374) 8.657 7.080 ( 7.094 8.952 -3.427) 11.925 7.138 ( 4.982 -4.318 5.659) 8.689 7.213 ( 3.227 3.056 4.006) 5.983 7.312 ( -1.697 0.664 1.389) 2.291 7.614 ( -1.743 -0.468 3.371) 3.824 7.697 ( -10.579 6.358 1.054) 12.387 8.307 ( 6.548 -10.275 -3.160) 12.588 8.547 ( -3.675 1.400 -6.191) 7.334 8.727 ( -4.113 -4.799 -1.260) 6.445 9.146 ( 0.832 0.372 -0.016) 0.911 9.218 ( -0.109 -1.832 -0.681) 1.958 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 8.290 5.127 7.130) 12.077 0.776 ( 9.253 4.384 6.663) 12.216 1.035 ( 0.767 -3.697 0.197) 3.781 1.105 ( 10.743 1.341 5.980) 12.369 1.144 ( 3.581 -5.522 3.720) 7.560 1.298 ( 0.426 -1.694 0.943) 1.985 1.326 ( 0.110 2.140 -0.106) 2.146 1.431 ( 3.744 0.578 -6.025) 7.117 1.501 ( -1.604 2.160 2.477) 3.657 1.559 ( 1.805 -1.032 0.143) 2.084 1.599 ( 2.626 -1.151 -1.586) 3.277 1.627 ( -0.312 3.007 -3.697) 4.776 1.695 ( -2.208 0.849 0.884) 2.526 1.758 ( -1.550 1.578 -3.149) 3.849 1.813 ( -1.075 0.898 -4.646) 4.853 1.841 ( -1.399 1.571 -0.779) 2.243 1.983 ( 2.600 0.779 -0.124) 2.717 2.060 ( -2.967 -0.644 1.819) 3.539 2.098 ( -1.017 -0.072 -1.651) 1.941 2.213 ( -1.792 2.254 2.037) 3.527 2.237 ( -1.101 -3.437 0.247) 3.617 2.339 ( -1.348 1.278 5.313) 5.628 2.367 ( -2.158 0.402 -0.285) 2.214 2.451 ( -0.526 -2.169 -4.237) 4.789 2.541 ( 0.070 -1.749 -1.329) 2.198 2.647 ( 0.588 0.457 1.952) 2.090 2.766 ( 1.265 -4.658 1.831) 5.162 2.835 ( -1.043 2.191 -0.690) 2.523 2.852 ( -1.568 -2.584 -0.917) 3.159 2.877 ( 2.362 -0.448 -0.854) 2.551 3.016 ( -0.724 0.377 -0.319) 0.876 3.059 ( 0.888 1.278 -0.267) 1.579 3.074 ( -0.957 1.936 3.212) 3.871 3.265 ( -1.213 -0.975 -1.527) 2.180 3.674 ( 2.053 5.891 -6.989) 9.368 3.738 ( 4.516 0.962 -8.076) 9.303 4.007 ( 0.047 13.162 0.191) 13.164 4.664 ( -0.684 0.856 1.032) 1.505 4.725 ( 0.712 -0.622 0.368) 1.015 5.139 ( 6.102 -10.853 -3.524) 12.940 5.394 ( 0.456 2.348 0.069) 2.393 5.466 ( 0.144 1.996 0.181) 2.009 5.487 ( -0.590 0.305 0.749) 1.001 5.717 ( -0.304 -3.690 -0.005) 3.702 5.827 ( 0.680 2.268 -0.351) 2.393 5.908 ( -5.843 4.688 -2.830) 8.008 6.157 ( -3.811 -7.366 1.194) 8.379 6.303 ( -3.241 -8.707 -1.329) 9.385 6.642 ( 0.606 7.131 4.847) 8.644 7.079 ( -4.859 10.283 -2.055) 11.557 7.211 ( 3.511 3.100 3.747) 5.998 7.303 ( 0.039 0.731 3.843) 3.912 7.330 ( 4.908 0.405 5.493) 7.377 7.519 ( -1.901 -0.879 -3.539) 4.112 7.623 ( -3.754 2.906 -0.301) 4.757 8.358 ( 0.772 -10.329 -0.417) 10.366 8.492 ( -1.721 0.693 -1.740) 2.543 8.616 ( -6.095 -2.734 1.287) 6.803 9.160 ( 0.659 0.091 0.165) 0.685 9.213 ( -0.179 -1.301 -0.411) 1.376 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 7.124 3.416 6.061) 9.958 0.913 ( 3.927 5.426 4.834) 8.260 1.074 ( 2.830 -3.204 -0.462) 4.300 1.191 ( 1.389 -4.980 2.000) 5.543 1.264 ( -1.398 -1.206 -0.969) 2.085 1.277 ( 2.928 -0.947 2.392) 3.897 1.355 ( 1.839 3.064 2.435) 4.325 1.469 ( 0.817 3.021 -3.463) 4.667 1.484 ( 0.564 0.779 -1.434) 1.726 1.572 ( -2.046 0.935 0.521) 2.310 1.629 ( 1.085 -2.518 -1.176) 2.983 1.655 ( 1.487 -3.272 -1.611) 3.938 1.670 ( 1.020 4.221 2.378) 4.951 1.756 ( 1.446 2.311 -1.929) 3.340 1.791 ( -0.343 -1.046 -3.639) 3.802 1.818 ( 0.311 1.444 -1.897) 2.404 1.992 ( -2.830 -0.374 1.559) 3.253 2.035 ( -0.218 1.637 -1.405) 2.168 2.076 ( 0.678 -1.011 -1.174) 1.691 2.173 ( -3.467 2.787 -1.735) 4.775 2.221 ( 0.445 -3.356 2.209) 4.042 2.327 ( -1.053 1.900 0.340) 2.199 2.341 ( -0.099 2.421 4.935) 5.497 2.448 ( 0.610 -3.238 -5.419) 6.342 2.555 ( 1.661 -1.713 -1.463) 2.799 2.675 ( 2.016 0.299 3.034) 3.655 2.748 ( -3.144 -1.776 -1.063) 3.764 2.786 ( -4.320 0.603 -1.362) 4.570 2.821 ( 1.179 -0.047 -0.906) 1.488 2.954 ( 1.885 -1.434 -1.152) 2.633 3.019 ( 2.295 -0.279 -0.946) 2.498 3.049 ( -0.050 2.839 2.608) 3.856 3.119 ( 3.202 -3.561 1.655) 5.067 3.231 ( -2.233 -0.957 -0.328) 2.451 3.724 ( 3.756 7.156 -7.704) 11.165 3.842 ( 6.694 -0.013 -10.259) 12.250 4.030 ( 2.954 15.558 -2.055) 15.968 4.642 ( -1.355 1.484 0.614) 2.101 4.744 ( 0.978 -1.078 0.574) 1.564 5.168 ( -2.120 -6.526 -3.405) 7.660 5.395 ( -0.419 1.864 -0.465) 1.966 5.458 ( -0.743 2.918 0.921) 3.149 5.490 ( 0.347 -0.739 1.020) 1.307 5.686 ( -5.363 -0.644 2.964) 6.161 5.753 ( -3.116 -0.692 -1.921) 3.726 5.844 ( 0.203 3.070 -0.151) 3.080 6.152 ( 1.754 -8.249 0.744) 8.466 6.275 ( -0.455 -16.150 -0.802) 16.177 6.671 ( 0.918 11.222 3.894) 11.914 6.979 ( -4.595 11.396 -7.784) 14.545 7.221 ( -3.959 -2.847 1.982) 5.263 7.294 ( 1.141 3.475 0.635) 3.712 7.392 ( -2.207 0.033 7.775) 8.082 7.508 ( -0.351 0.878 -4.895) 4.986 7.563 ( 0.560 2.745 -3.814) 4.732 8.360 ( -0.724 -8.053 3.000) 8.624 8.485 ( 1.709 0.356 4.832) 5.138 8.538 ( -2.221 -3.506 3.318) 5.314 9.171 ( 0.484 -0.105 0.249) 0.554 9.210 ( -0.147 -1.105 -0.505) 1.224 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.148 2.363 5.512) 6.106 0.940 ( -1.619 5.357 5.247) 7.671 1.104 ( -0.383 -2.605 -1.081) 2.846 1.168 ( -2.525 1.039 -2.593) 3.766 1.237 ( -3.545 0.432 -1.154) 3.753 1.265 ( -0.913 -2.745 2.947) 4.129 1.403 ( 1.193 2.100 0.301) 2.434 1.451 ( -2.711 0.152 -3.977) 4.815 1.479 ( -0.850 -0.709 0.097) 1.111 1.555 ( 0.985 2.038 -0.752) 2.385 1.614 ( -1.860 -1.878 -1.131) 2.875 1.676 ( 0.086 0.117 1.080) 1.090 1.698 ( 2.938 -1.896 1.265) 3.719 1.785 ( 1.020 -3.062 -0.331) 3.245 1.816 ( 2.480 3.068 0.271) 3.954 1.864 ( 3.674 0.388 -3.197) 4.886 1.955 ( -1.130 0.403 -0.132) 1.207 1.990 ( -2.280 -0.090 -0.985) 2.485 2.096 ( -0.133 3.181 -2.575) 4.095 2.124 ( -0.617 0.950 -1.348) 1.761 2.231 ( -0.047 -2.085 2.913) 3.582 2.309 ( -0.353 1.231 -0.804) 1.512 2.361 ( 1.042 3.699 5.356) 6.592 2.455 ( 0.649 -3.343 -5.101) 6.133 2.591 ( 1.666 -1.756 -2.443) 3.439 2.667 ( -4.259 0.502 -1.571) 4.567 2.720 ( -1.872 2.067 -0.307) 2.806 2.738 ( 3.768 -0.853 2.631) 4.674 2.844 ( 1.132 0.462 -1.205) 1.717 2.948 ( -1.017 -1.628 -1.239) 2.284 3.035 ( -0.222 1.899 0.913) 2.118 3.093 ( 0.974 -3.078 -0.244) 3.237 3.174 ( 2.059 -3.721 0.888) 4.344 3.203 ( 1.052 -1.324 2.544) 3.055 3.795 ( 4.348 9.038 -6.240) 11.813 3.939 ( 4.003 2.407 -4.636) 6.581 4.116 ( 4.962 12.392 -7.404) 15.264 4.622 ( -0.606 2.061 0.227) 2.161 4.757 ( 0.249 -1.273 0.690) 1.469 5.118 ( 0.078 -3.769 -1.935) 4.238 5.381 ( -0.522 1.520 -0.731) 1.765 5.446 ( -0.608 3.365 1.021) 3.569 5.487 ( -0.830 -0.557 0.283) 1.039 5.608 ( -1.413 0.302 3.556) 3.838 5.753 ( 1.383 -2.480 -0.089) 2.841 5.850 ( 0.522 3.222 0.183) 3.269 6.182 ( 0.698 -7.661 0.169) 7.695 6.276 ( 0.944 -21.126 -1.061) 21.173 6.633 ( -5.898 12.678 -0.854) 14.009 6.901 ( -2.132 6.996 -9.783) 12.214 7.155 ( -2.275 2.641 -0.116) 3.488 7.204 ( -8.987 -4.375 -3.590) 10.621 7.369 ( 0.444 7.157 3.271) 7.881 7.520 ( 0.450 1.997 0.055) 2.048 7.578 ( 0.153 1.666 -1.593) 2.310 8.372 ( 2.129 -6.712 4.674) 8.452 8.521 ( -0.171 -3.472 4.356) 5.573 8.560 ( 4.456 -0.960 7.900) 9.121 9.177 ( 0.044 -0.215 0.420) 0.474 9.205 ( -0.283 -1.013 -0.771) 1.304 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -6.246 4.375 3.165) 8.257 0.852 ( -8.057 4.219 6.500) 11.178 1.053 ( -4.002 -3.439 0.168) 5.279 1.117 ( -3.204 2.185 -1.998) 4.362 1.162 ( -3.609 1.538 -0.577) 3.965 1.244 ( -1.990 -0.898 1.845) 2.858 1.348 ( -4.064 0.113 -3.041) 5.077 1.420 ( -0.770 0.883 -2.267) 2.552 1.473 ( 0.039 -1.812 0.390) 1.854 1.576 ( -1.299 -1.849 -1.629) 2.786 1.591 ( 2.204 2.029 0.218) 3.004 1.682 ( 0.162 -1.274 1.391) 1.893 1.735 ( 0.444 -2.759 -1.621) 3.230 1.792 ( -1.542 -1.200 0.226) 1.967 1.852 ( 0.821 1.928 0.111) 2.098 1.876 ( 0.203 1.067 0.003) 1.086 1.978 ( 2.383 0.839 -0.423) 2.562 2.015 ( 5.214 -0.921 -1.279) 5.447 2.083 ( -1.358 2.936 -1.491) 3.562 2.111 ( -0.158 1.341 -1.865) 2.303 2.233 ( 0.103 -1.655 3.246) 3.645 2.312 ( 0.620 0.593 -0.900) 1.243 2.381 ( 0.116 3.045 5.327) 6.137 2.461 ( 0.632 -2.693 -5.001) 5.716 2.593 ( -1.256 0.071 -2.062) 2.415 2.613 ( -0.700 -1.081 -0.500) 1.381 2.705 ( 0.169 1.255 -0.102) 1.270 2.796 ( 1.043 -2.341 1.055) 2.771 2.886 ( 3.434 1.191 -0.526) 3.673 2.925 ( -1.027 -3.389 -0.588) 3.590 3.021 ( -1.757 0.395 0.844) 1.989 3.067 ( -1.260 0.122 -0.184) 1.279 3.211 ( 1.294 -2.593 1.985) 3.513 3.257 ( 2.757 -0.983 1.652) 3.361 3.870 ( 3.763 12.062 -3.729) 13.174 3.990 ( 1.319 6.835 0.306) 6.968 4.148 ( -0.270 3.299 -4.831) 5.857 4.621 ( 0.487 2.089 0.047) 2.146 4.753 ( -0.703 -1.209 0.856) 1.640 5.196 ( 5.284 -7.101 -3.271) 9.437 5.394 ( 2.162 1.381 -0.985) 2.748 5.444 ( 1.410 5.297 -0.418) 5.498 5.461 ( -1.785 -0.516 -0.079) 1.860 5.622 ( 1.748 -0.678 2.371) 3.022 5.792 ( 2.012 -1.542 -0.387) 2.564 5.883 ( 4.067 0.879 1.668) 4.483 6.164 ( -2.288 -6.941 -4.788) 8.737 6.307 ( 1.288 -16.206 4.044) 16.753 6.501 ( -4.415 8.670 -4.172) 10.586 6.845 ( -3.931 2.731 -6.263) 7.883 7.051 ( -5.112 -0.254 -4.191) 6.615 7.134 ( -0.237 8.088 -2.973) 8.621 7.362 ( -1.867 6.266 3.138) 7.252 7.511 ( -1.254 1.716 0.368) 2.157 7.559 ( -1.646 1.774 -0.899) 2.582 8.426 ( 1.726 -11.080 2.358) 11.459 8.554 ( 3.509 0.529 5.133) 6.240 8.651 ( 3.845 -0.768 7.038) 8.057 9.172 ( -0.611 -0.242 0.759) 1.004 9.199 ( -0.215 -1.026 -1.195) 1.589 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -10.513 6.103 2.771) 12.468 0.677 ( -10.444 5.875 6.420) 13.595 0.957 ( -10.268 7.064 4.255) 13.170 1.015 ( -2.246 -4.669 0.948) 5.267 1.102 ( -2.146 -0.942 -0.263) 2.358 1.217 ( -1.100 0.006 -0.134) 1.108 1.309 ( -0.256 -0.322 -3.365) 3.390 1.397 ( -1.146 -1.587 -0.003) 1.957 1.480 ( 0.936 -1.283 -2.378) 2.859 1.566 ( 0.067 -2.031 -2.056) 2.891 1.621 ( 0.604 -0.086 -0.088) 0.616 1.681 ( -0.454 -1.066 2.045) 2.350 1.734 ( 0.150 -2.272 -2.583) 3.443 1.757 ( -0.920 -0.287 0.922) 1.334 1.848 ( -1.026 2.894 -0.413) 3.098 1.889 ( 0.198 -0.357 -2.345) 2.380 2.013 ( -0.198 3.425 -0.671) 3.496 2.049 ( 0.017 0.695 0.805) 1.064 2.111 ( 2.538 1.589 -0.708) 3.077 2.147 ( 4.780 -1.660 -0.667) 5.104 2.245 ( 0.955 -0.468 2.502) 2.719 2.327 ( 1.077 -0.938 -1.447) 2.033 2.374 ( -1.237 2.975 5.775) 6.613 2.468 ( 0.768 -2.037 -4.903) 5.364 2.577 ( -0.620 1.174 0.848) 1.576 2.609 ( 0.582 -3.027 -1.148) 3.289 2.713 ( 0.159 -1.033 0.487) 1.153 2.808 ( 0.368 -0.754 0.112) 0.846 2.863 ( -2.881 -1.369 -1.172) 3.398 2.966 ( 0.880 -2.856 2.709) 4.033 2.991 ( 0.453 2.120 -1.343) 2.550 3.071 ( 1.463 0.421 0.332) 1.558 3.220 ( -0.844 -0.249 3.549) 3.656 3.295 ( 1.173 -0.531 -0.451) 1.364 3.908 ( -0.982 18.151 -0.151) 18.178 3.982 ( -0.880 2.806 1.261) 3.200 4.159 ( 2.475 -2.745 1.807) 4.115 4.637 ( 0.967 1.511 0.162) 1.801 4.736 ( -1.122 -0.894 0.806) 1.645 5.193 ( -5.894 -13.519 -2.370) 14.937 5.399 ( -1.138 1.349 0.479) 1.829 5.426 ( -0.810 0.255 -1.627) 1.835 5.544 ( 5.484 2.253 -3.560) 6.915 5.661 ( 1.995 -1.289 1.008) 2.580 5.806 ( -0.057 -0.537 -1.079) 1.207 5.998 ( 1.371 -2.759 -4.964) 5.842 6.152 ( 7.595 1.452 -1.254) 7.833 6.320 ( 1.344 -6.332 4.555) 7.915 6.531 ( 6.328 1.703 1.449) 6.711 6.752 ( -3.356 -0.620 -2.792) 4.410 7.001 ( -0.084 5.296 -3.326) 6.254 7.126 ( -0.708 8.694 -4.923) 10.016 7.310 ( -3.211 7.361 3.014) 8.578 7.483 ( -1.513 0.752 -0.256) 1.709 7.532 ( -0.523 3.391 -0.220) 3.438 8.430 ( -1.327 -11.858 -0.040) 11.932 8.641 ( 3.903 0.770 3.006) 4.986 8.712 ( 1.711 0.026 3.622) 4.006 9.159 ( -0.829 -0.295 1.021) 1.348 9.196 ( 0.074 -1.208 -1.467) 1.902 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -8.817 7.238 5.840) 12.815 0.491 ( -8.308 9.921 6.427) 14.448 0.763 ( -8.125 13.047 12.365) 19.726 1.020 ( 1.069 -6.757 0.282) 6.846 1.079 ( 0.258 -3.178 0.227) 3.197 1.193 ( -0.999 0.139 -0.326) 1.060 1.298 ( -0.235 0.139 -5.675) 5.681 1.382 ( -0.945 -3.153 1.176) 3.496 1.514 ( 2.686 -2.270 -3.206) 4.759 1.551 ( -1.521 -1.792 -2.590) 3.497 1.636 ( 1.740 -0.929 -0.612) 2.065 1.670 ( -0.954 -1.424 2.328) 2.891 1.720 ( -2.138 0.834 -0.896) 2.464 1.755 ( 0.510 -3.117 -1.730) 3.602 1.835 ( 0.478 3.670 0.425) 3.725 1.878 ( -0.556 0.436 -3.758) 3.824 1.994 ( -0.768 3.262 0.234) 3.360 2.066 ( 0.749 1.282 -0.899) 1.736 2.136 ( 0.561 2.760 -0.666) 2.894 2.217 ( 1.241 -2.833 2.652) 4.074 2.292 ( 3.302 -0.329 0.454) 3.350 2.342 ( 0.463 0.349 1.007) 1.162 2.369 ( 0.806 1.235 3.421) 3.725 2.481 ( 1.007 -1.946 -4.188) 4.727 2.563 ( -0.669 1.138 0.611) 1.454 2.634 ( 1.607 -2.645 -0.029) 3.095 2.709 ( -0.567 -2.085 0.373) 2.192 2.756 ( -3.815 0.253 0.101) 3.824 2.875 ( 2.707 2.836 -1.243) 4.113 2.949 ( -1.455 -1.286 2.232) 2.958 3.010 ( 0.231 -1.120 -0.658) 1.319 3.109 ( 1.801 -0.837 0.608) 2.076 3.189 ( -2.569 1.271 3.871) 4.817 3.306 ( 0.177 -1.340 -1.628) 2.116 3.822 ( -6.541 10.732 3.438) 13.030 3.986 ( 0.065 4.718 -0.034) 4.718 4.236 ( 3.541 -5.563 7.208) 9.770 4.650 ( 0.142 0.976 0.660) 1.187 4.720 ( -0.330 -0.681 0.437) 0.874 4.945 ( -19.068 -17.482 -3.536) 26.110 5.380 ( -0.651 2.733 -0.014) 2.809 5.428 ( 0.829 0.981 -1.943) 2.330 5.578 ( -0.899 0.311 -4.962) 5.052 5.698 ( 1.539 -2.107 0.136) 2.613 5.802 ( -0.236 2.515 0.288) 2.542 5.956 ( -1.425 1.605 -4.664) 5.134 6.274 ( 1.232 -3.215 2.949) 4.533 6.472 ( 9.343 -3.434 -0.811) 9.987 6.640 ( 6.518 3.439 3.724) 8.257 6.815 ( 8.784 -0.337 -2.917) 9.262 7.030 ( -0.986 5.639 -0.422) 5.740 7.081 ( 0.553 6.149 -0.682) 6.211 7.317 ( 4.800 3.186 3.038) 6.513 7.478 ( 3.198 3.294 -1.137) 4.730 7.562 ( 5.187 9.927 0.784) 11.228 8.356 ( -7.238 -9.779 -3.283) 12.602 8.684 ( -0.129 -0.234 -0.038) 0.270 8.727 ( 0.282 0.190 0.435) 0.553 9.144 ( -0.847 -0.286 0.888) 1.259 9.201 ( 0.605 -1.512 -1.537) 2.239 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.146 11.376 4.034) 12.071 0.625 ( -0.507 10.757 3.914) 11.458 0.843 ( 0.066 -9.958 3.132) 10.440 0.898 ( -0.222 -10.097 4.545) 11.075 1.026 ( 1.386 10.297 4.663) 11.388 1.169 ( 0.953 -3.573 1.064) 3.848 1.352 ( 2.073 3.211 -6.711) 7.723 1.381 ( 0.521 3.892 -0.379) 3.945 1.450 ( 1.179 -4.084 -3.271) 5.363 1.499 ( -0.371 -3.381 1.666) 3.787 1.594 ( -2.811 -0.001 2.427) 3.714 1.643 ( -1.907 -3.454 2.363) 4.599 1.721 ( 3.922 1.264 -4.371) 6.007 1.746 ( 2.792 -1.387 -3.850) 4.954 1.882 ( 0.009 0.832 -0.753) 1.122 1.888 ( -0.101 0.203 -0.573) 0.616 2.049 ( -1.712 4.804 1.035) 5.204 2.118 ( -0.413 0.195 -2.278) 2.324 2.169 ( -1.261 1.979 -1.927) 3.036 2.197 ( -0.464 -1.932 -1.472) 2.472 2.303 ( 1.048 1.987 0.115) 2.250 2.359 ( 0.627 -2.964 -0.809) 3.136 2.396 ( 1.256 0.532 1.050) 1.722 2.432 ( 0.483 -3.008 0.104) 3.049 2.594 ( -1.225 2.319 0.965) 2.795 2.649 ( -1.260 -2.643 1.820) 3.447 2.675 ( 0.964 2.614 0.197) 2.793 2.721 ( 1.027 -1.838 -0.114) 2.109 2.914 ( -0.758 1.503 3.140) 3.563 2.964 ( 1.423 -2.598 1.898) 3.518 2.996 ( -0.715 3.533 -2.947) 4.656 3.064 ( -1.044 -3.381 -0.432) 3.565 3.191 ( -1.964 3.100 2.217) 4.288 3.248 ( -1.137 -2.827 0.136) 3.050 3.806 ( -7.967 4.466 3.190) 9.675 3.885 ( -10.462 -3.832 4.668) 12.080 4.300 ( 0.649 12.954 0.585) 12.983 4.548 ( 3.105 -11.382 -0.230) 11.801 4.677 ( 0.143 1.160 0.733) 1.379 4.703 ( 0.165 -1.265 0.478) 1.363 5.424 ( 0.235 1.798 -0.014) 1.814 5.446 ( 0.636 -0.559 -0.384) 0.930 5.588 ( -0.922 3.143 -3.336) 4.676 5.655 ( -0.035 -3.461 -2.244) 4.125 5.896 ( 0.223 4.872 -0.385) 4.892 5.972 ( 1.441 -2.300 -0.847) 2.843 6.278 ( -1.806 5.302 1.619) 5.831 6.404 ( -1.810 -6.390 2.917) 7.254 6.896 ( -1.294 2.464 -2.110) 3.492 6.919 ( 8.849 0.215 -1.994) 9.073 7.046 ( 2.386 4.485 0.438) 5.099 7.182 ( -1.426 -8.384 0.969) 8.560 7.355 ( 5.117 10.599 4.844) 12.728 7.524 ( 4.484 -5.594 4.070) 8.244 7.963 ( 2.403 3.755 -4.637) 6.432 8.053 ( -2.974 -5.555 -1.517) 6.481 8.648 ( -3.194 1.150 -4.429) 5.580 8.685 ( -1.851 -2.684 -3.134) 4.523 9.149 ( 0.405 1.124 -0.367) 1.250 9.176 ( 0.484 -1.701 -0.937) 2.001 ======================= Grid point 62 (33/78) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 4.344 10.864 4.696) 12.608 0.693 ( 6.386 7.505 5.214) 11.148 0.865 ( 2.438 -10.002 2.005) 10.489 0.899 ( 0.253 -10.214 3.066) 10.667 1.107 ( 5.702 9.142 4.774) 11.785 1.220 ( 3.525 -2.928 1.251) 4.749 1.383 ( 1.264 3.260 -1.932) 3.995 1.406 ( 2.493 3.951 -3.714) 5.968 1.469 ( 1.324 -3.959 -3.973) 5.763 1.501 ( 0.363 -2.865 1.732) 3.368 1.560 ( -0.598 1.954 2.507) 3.234 1.638 ( 0.834 -3.647 2.446) 4.470 1.765 ( 0.244 1.375 -3.085) 3.387 1.783 ( 0.867 -0.651 -3.975) 4.120 1.873 ( -0.825 0.967 -1.080) 1.668 1.877 ( -0.447 0.332 0.107) 0.567 2.014 ( -1.513 4.869 0.574) 5.131 2.106 ( -0.399 -1.703 -2.292) 2.883 2.130 ( -2.297 2.286 -2.157) 3.893 2.171 ( -2.280 -3.002 -1.365) 4.009 2.309 ( -0.594 2.569 0.188) 2.644 2.353 ( -0.733 -1.844 -0.661) 2.091 2.398 ( -1.230 -0.139 0.791) 1.469 2.425 ( -1.210 -2.429 0.824) 2.836 2.561 ( -1.844 1.936 0.827) 2.799 2.625 ( -1.308 -3.798 2.883) 4.944 2.698 ( 1.585 2.511 0.584) 3.026 2.755 ( 2.267 -2.600 0.156) 3.453 2.884 ( -2.346 1.818 2.611) 3.953 2.928 ( -3.705 -1.551 1.084) 4.160 3.021 ( 1.298 0.860 -1.730) 2.327 3.045 ( -0.077 -1.080 -1.656) 1.979 3.170 ( -0.646 3.766 1.780) 4.216 3.237 ( -0.160 -3.003 -0.134) 3.010 3.719 ( -0.899 2.414 -3.637) 4.457 3.750 ( -2.864 -0.606 -1.936) 3.509 4.329 ( 2.357 18.187 0.912) 18.362 4.670 ( 7.019 -12.049 0.496) 13.953 4.685 ( 1.459 -2.486 0.824) 2.998 4.707 ( 0.233 -1.661 0.550) 1.765 5.430 ( 0.366 1.921 0.264) 1.973 5.457 ( 0.488 -0.850 0.274) 1.018 5.565 ( -1.057 3.952 -2.433) 4.760 5.646 ( -0.513 -4.151 -1.796) 4.552 5.899 ( 0.101 5.255 0.025) 5.256 5.994 ( 0.963 -3.256 -1.648) 3.774 6.203 ( -6.540 4.078 0.386) 7.716 6.311 ( -8.003 -5.821 -1.638) 10.031 6.823 ( -2.680 8.983 4.483) 10.391 7.003 ( 0.710 -8.817 6.095) 10.742 7.175 ( 8.167 2.574 -0.163) 8.565 7.217 ( 5.190 -1.864 1.113) 5.626 7.443 ( 2.652 9.383 2.914) 10.176 7.576 ( -0.847 -3.940 2.980) 5.012 7.851 ( -7.425 9.527 -2.996) 12.445 8.074 ( 1.006 -12.727 -2.459) 13.001 8.578 ( -3.293 2.091 -4.829) 6.208 8.636 ( -3.129 -4.018 -2.742) 5.784 9.158 ( 0.519 0.961 -0.291) 1.130 9.183 ( 0.272 -1.596 -0.580) 1.719 ======================= Grid point 63 (34/78) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 6.591 9.761 3.746) 12.359 0.847 ( 8.168 3.497 4.630) 10.019 0.929 ( 3.516 -6.645 1.314) 7.632 0.951 ( 4.889 -9.489 3.650) 11.282 1.223 ( 5.306 5.316 3.091) 8.122 1.279 ( 2.054 -0.933 1.562) 2.744 1.396 ( 0.329 4.257 1.893) 4.671 1.461 ( 3.454 2.451 -5.461) 6.911 1.488 ( 0.067 -4.114 0.913) 4.214 1.519 ( 2.482 -3.017 -4.225) 5.754 1.584 ( 2.107 3.263 2.890) 4.842 1.658 ( 0.166 -2.215 0.395) 2.256 1.725 ( -2.955 1.800 0.215) 3.467 1.761 ( -2.141 -1.500 -3.257) 4.176 1.848 ( -1.636 2.602 -1.941) 3.635 1.871 ( -0.753 0.359 -1.256) 1.507 2.013 ( 1.171 3.389 -0.567) 3.630 2.081 ( -1.704 2.508 -1.097) 3.225 2.107 ( -3.116 -0.524 -2.279) 3.896 2.117 ( 0.890 -5.311 -0.208) 5.389 2.280 ( -2.206 2.343 -1.082) 3.395 2.340 ( -0.274 -2.712 -1.774) 3.252 2.374 ( -0.975 1.059 0.839) 1.666 2.402 ( -1.072 -1.785 2.380) 3.162 2.539 ( -0.230 2.314 0.342) 2.350 2.618 ( 0.363 -4.428 2.771) 5.236 2.727 ( 0.951 2.045 1.672) 2.808 2.790 ( 0.145 -3.552 0.839) 3.652 2.857 ( -0.036 0.735 0.208) 0.765 2.874 ( -0.372 -0.611 -0.024) 0.716 3.023 ( -0.511 1.082 -1.868) 2.219 3.048 ( 0.051 -1.131 -1.754) 2.088 3.156 ( -1.335 4.355 1.263) 4.726 3.227 ( -1.157 -2.877 -0.051) 3.101 3.744 ( 3.420 1.707 -8.964) 9.745 3.756 ( 3.449 0.393 -7.418) 8.190 4.389 ( 3.686 23.502 0.746) 23.802 4.685 ( -0.190 1.237 0.717) 1.443 4.708 ( 0.244 -1.109 0.492) 1.237 4.832 ( 7.402 -20.211 -0.590) 21.532 5.436 ( 0.109 1.816 0.424) 1.868 5.464 ( 0.169 -1.101 0.764) 1.351 5.546 ( -0.702 4.419 -1.098) 4.607 5.635 ( -0.418 -4.564 -0.736) 4.642 5.900 ( -0.145 4.983 0.505) 5.010 5.999 ( -2.339 1.191 -4.460) 5.175 6.027 ( -9.121 -2.354 2.228) 9.680 6.134 ( -8.704 -7.425 -2.989) 11.825 6.834 ( 2.585 10.657 7.217) 13.128 7.024 ( 1.351 -8.322 7.163) 11.063 7.309 ( 3.498 1.082 4.042) 5.454 7.323 ( 3.478 -0.262 5.975) 6.918 7.436 ( -3.374 7.853 -5.024) 9.914 7.505 ( -3.003 -1.019 -4.804) 5.757 7.757 ( -2.396 12.840 -2.064) 13.224 8.078 ( 0.403 -17.275 -1.146) 17.317 8.516 ( -2.585 1.765 -0.738) 3.216 8.561 ( -4.201 -2.701 0.819) 5.061 9.167 ( 0.387 0.658 -0.060) 0.766 9.186 ( 0.118 -1.316 -0.272) 1.349 ======================= Grid point 64 (35/78) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 5.095 7.324 2.854) 9.367 0.987 ( 5.358 1.737 3.115) 6.436 0.996 ( 2.661 -4.344 0.772) 5.152 1.058 ( 5.042 -6.544 3.647) 9.030 1.290 ( -0.257 2.274 1.331) 2.648 1.304 ( 1.401 1.616 2.963) 3.655 1.412 ( 1.127 3.683 2.125) 4.399 1.490 ( 0.473 -2.170 1.116) 2.486 1.504 ( 1.244 1.927 -5.004) 5.505 1.556 ( 0.885 -3.449 -4.572) 5.795 1.610 ( -3.384 2.421 -2.148) 4.682 1.626 ( 1.541 0.309 1.356) 2.076 1.700 ( -0.794 -1.399 2.609) 3.065 1.711 ( -2.581 -3.533 -1.911) 4.775 1.836 ( 1.615 3.005 -2.097) 4.004 1.853 ( -0.119 0.854 -2.074) 2.246 1.999 ( -2.167 1.847 -0.921) 2.993 2.044 ( -2.761 -1.470 -1.610) 3.518 2.096 ( 2.394 2.679 -1.156) 3.774 2.152 ( 1.768 -3.243 -0.186) 3.698 2.237 ( -1.588 4.218 -1.531) 4.760 2.337 ( 0.114 -4.269 -3.339) 5.421 2.363 ( -0.315 1.287 0.785) 1.540 2.394 ( -0.106 -1.133 2.936) 3.148 2.557 ( 1.994 2.938 -0.165) 3.555 2.641 ( 1.645 -4.323 1.850) 4.982 2.729 ( -0.963 1.149 1.434) 2.075 2.762 ( -2.047 -1.772 0.721) 2.802 2.874 ( 1.426 3.133 -1.089) 3.610 2.921 ( 3.489 -1.886 -0.542) 4.003 3.009 ( -0.383 0.234 -1.645) 1.705 3.044 ( -0.247 -3.004 -1.520) 3.376 3.125 ( -1.468 3.749 1.925) 4.463 3.192 ( -2.240 -2.896 0.764) 3.740 3.816 ( 5.063 2.616 -10.005) 11.514 3.842 ( 5.962 -0.357 -9.854) 11.523 4.469 ( 4.449 26.090 -0.543) 26.472 4.677 ( -0.616 1.861 0.556) 2.037 4.717 ( 0.615 -1.490 0.409) 1.663 4.934 ( 3.181 -18.302 -2.028) 18.687 5.431 ( -0.729 1.839 0.488) 2.038 5.465 ( -0.158 -1.577 1.059) 1.906 5.537 ( -0.183 4.684 0.128) 4.689 5.630 ( -0.276 -4.517 0.845) 4.604 5.794 ( -8.783 4.799 -0.504) 10.021 5.916 ( 0.644 2.522 1.746) 3.134 5.957 ( -5.867 -9.167 -2.458) 11.157 6.035 ( -0.334 -7.117 -0.728) 7.162 6.905 ( 2.985 11.105 6.530) 13.224 7.069 ( 2.233 -4.193 4.161) 6.316 7.190 ( -11.062 2.797 -5.385) 12.617 7.271 ( -8.361 -4.204 -0.782) 9.391 7.473 ( 4.384 3.956 -0.296) 5.912 7.511 ( 2.877 -0.642 -2.483) 3.854 7.735 ( -0.210 15.949 -2.192) 16.100 8.091 ( 0.819 -18.057 -0.169) 18.076 8.491 ( 0.105 0.305 5.046) 5.056 8.501 ( -1.898 -0.835 5.341) 5.729 9.173 ( 0.275 0.377 0.013) 0.467 9.187 ( 0.023 -1.065 -0.211) 1.086 ======================= Grid point 65 (36/78) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.476 4.967 2.680) 5.664 1.004 ( -2.152 -1.092 1.805) 3.013 1.049 ( 0.193 0.139 1.948) 1.962 1.123 ( 0.842 -5.212 2.680) 5.921 1.264 ( -1.663 3.256 1.089) 3.815 1.292 ( -2.723 2.052 2.141) 4.026 1.432 ( 0.267 1.652 0.690) 1.810 1.459 ( -3.623 1.336 -3.026) 4.906 1.519 ( -0.967 2.172 -4.098) 4.738 1.537 ( -0.325 -3.621 -3.292) 4.905 1.578 ( 0.053 0.210 0.023) 0.218 1.639 ( 0.078 -3.710 -2.282) 4.356 1.691 ( 0.785 -0.035 2.551) 2.669 1.706 ( 1.931 -2.739 2.175) 3.996 1.866 ( 1.234 1.858 -1.476) 2.675 1.886 ( 2.347 0.349 -1.641) 2.885 1.969 ( -0.314 1.491 -1.579) 2.194 1.994 ( -1.667 -0.397 -2.121) 2.727 2.129 ( 0.827 1.511 -0.729) 1.870 2.162 ( -0.545 -0.673 -0.802) 1.180 2.227 ( 0.412 4.357 -0.630) 4.422 2.333 ( -0.229 -2.008 -2.404) 3.141 2.366 ( 0.625 -1.397 -0.208) 1.545 2.400 ( 0.276 -1.384 3.008) 3.322 2.601 ( 1.977 3.189 -1.212) 3.943 2.666 ( -0.302 -1.799 -1.564) 2.403 2.711 ( -0.041 -0.610 3.132) 3.191 2.724 ( -1.809 -1.100 1.181) 2.424 2.900 ( 1.284 4.207 -0.984) 4.507 2.941 ( -1.674 0.570 -1.520) 2.331 3.020 ( 1.097 -3.379 -1.210) 3.753 3.027 ( -1.203 -3.067 -1.150) 3.489 3.137 ( 2.507 1.220 2.634) 3.836 3.176 ( 1.282 -2.003 1.726) 2.939 3.908 ( 5.360 3.454 -8.479) 10.609 3.950 ( 6.036 -0.947 -7.963) 10.037 4.533 ( 1.243 25.013 -1.645) 25.098 4.669 ( -0.096 2.421 0.440) 2.463 4.727 ( 0.186 -1.177 0.021) 1.192 4.963 ( 0.883 -14.048 -2.315) 14.265 5.413 ( -0.812 2.013 0.527) 2.233 5.458 ( -0.845 -2.129 0.912) 2.465 5.538 ( 0.337 5.066 0.674) 5.121 5.611 ( -1.478 -1.123 2.280) 2.940 5.718 ( 0.733 0.663 -0.240) 1.017 5.859 ( -3.135 -11.690 -2.017) 12.270 5.955 ( 3.317 0.618 1.784) 3.817 6.049 ( 1.395 -6.135 0.542) 6.314 6.869 ( -9.477 10.752 -1.347) 14.396 6.997 ( -7.624 1.297 -7.544) 10.804 7.096 ( -2.870 -3.709 -0.590) 4.727 7.134 ( 0.895 -3.756 -1.816) 4.267 7.533 ( 1.453 3.368 1.301) 3.892 7.550 ( 0.648 0.624 0.299) 0.948 7.728 ( -0.370 17.141 -1.860) 17.246 8.105 ( 0.626 -18.699 0.137) 18.710 8.509 ( 2.015 1.065 7.631) 7.964 8.536 ( 3.495 -1.434 8.002) 8.849 9.176 ( -0.048 0.155 0.062) 0.173 9.186 ( -0.199 -0.854 -0.308) 0.929 ======================= Grid point 66 (37/78) ======================= q-point: (-0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -5.446 3.267 1.509) 6.527 0.922 ( -5.389 1.231 4.324) 7.018 0.994 ( -5.718 0.502 2.267) 6.172 1.092 ( -3.931 -5.819 3.195) 7.715 1.227 ( -3.282 4.127 1.301) 5.431 1.249 ( -1.303 1.925 0.726) 2.435 1.378 ( -3.268 2.473 -4.227) 5.887 1.424 ( -0.734 -1.933 -1.449) 2.525 1.478 ( -2.436 2.173 -2.328) 4.010 1.536 ( 0.325 -1.445 -3.093) 3.429 1.586 ( 0.656 -1.021 -0.438) 1.290 1.646 ( 0.712 -3.676 -3.348) 5.023 1.712 ( 0.299 1.008 2.800) 2.991 1.747 ( 0.855 -2.362 1.967) 3.190 1.886 ( 0.848 1.309 -0.344) 1.598 1.892 ( -0.662 0.661 -0.612) 1.117 1.997 ( 3.063 -0.333 -2.422) 3.918 2.000 ( 2.504 -0.125 -1.915) 3.155 2.125 ( -0.883 2.151 0.517) 2.382 2.153 ( -0.006 0.491 -0.956) 1.075 2.237 ( 0.608 3.591 -0.300) 3.654 2.325 ( -0.329 -1.059 -1.964) 2.256 2.380 ( 0.652 -2.344 -0.291) 2.450 2.407 ( 0.014 -1.885 3.289) 3.791 2.614 ( -0.341 2.936 -1.960) 3.546 2.637 ( -1.383 2.013 -0.750) 2.555 2.696 ( -0.969 -1.389 1.583) 2.318 2.732 ( 0.681 -3.906 2.051) 4.464 2.892 ( -2.240 0.855 -0.967) 2.586 2.916 ( 0.060 -0.076 0.968) 0.973 3.014 ( 0.682 -0.102 -1.387) 1.549 3.040 ( 1.112 -2.016 -1.186) 2.590 3.198 ( 2.874 1.038 2.031) 3.669 3.229 ( 3.039 -1.803 1.267) 3.754 3.992 ( 3.886 3.612 -4.809) 7.161 4.045 ( 4.368 -1.660 -3.610) 5.904 4.488 ( -5.454 25.772 -0.235) 26.343 4.672 ( 0.141 2.847 0.245) 2.861 4.721 ( -0.662 -1.953 0.481) 2.117 4.962 ( -2.216 -18.318 -1.875) 18.547 5.414 ( 0.701 1.001 -0.220) 1.242 5.437 ( -1.096 -1.307 0.004) 1.706 5.557 ( 1.637 4.633 0.025) 4.914 5.607 ( 0.691 -1.045 1.121) 1.682 5.774 ( 4.251 0.756 -1.004) 4.433 5.848 ( 2.563 -5.374 -1.240) 6.082 6.050 ( 5.875 -1.514 0.551) 6.092 6.100 ( 4.678 -5.468 2.794) 7.720 6.668 ( -8.506 8.166 -5.765) 13.125 6.808 ( -9.104 -5.631 -6.133) 12.337 7.095 ( 1.037 4.047 -2.023) 4.642 7.164 ( 1.231 -2.412 -0.998) 2.886 7.518 ( -3.234 3.120 0.785) 4.561 7.535 ( -2.105 0.435 0.228) 2.161 7.728 ( 0.940 18.263 -1.108) 18.321 8.118 ( 0.729 -19.358 0.432) 19.376 8.583 ( 4.343 2.017 6.441) 8.026 8.624 ( 4.252 -1.925 6.848) 8.287 9.170 ( -0.536 0.118 0.147) 0.568 9.179 ( -0.372 -0.828 -0.551) 1.062 ======================= Grid point 67 (38/78) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -8.052 5.829 2.443) 10.236 0.829 ( -6.498 8.376 6.433) 12.400 0.875 ( -4.804 -7.200 1.663) 8.814 1.005 ( -5.011 -8.139 3.994) 10.359 1.138 ( -5.671 8.226 1.580) 10.115 1.220 ( -1.875 -0.490 -0.265) 1.956 1.342 ( -0.390 3.077 -4.414) 5.395 1.411 ( -0.532 -2.658 -3.117) 4.131 1.429 ( -1.829 2.529 -0.497) 3.160 1.532 ( -0.699 -4.242 -1.407) 4.524 1.601 ( 1.330 0.966 -1.886) 2.501 1.663 ( 1.559 -3.252 -4.335) 5.639 1.697 ( -1.909 1.376 3.313) 4.063 1.741 ( -1.216 -2.044 1.390) 2.755 1.881 ( -0.534 0.558 -0.775) 1.094 1.887 ( -0.521 0.292 -1.348) 1.474 2.058 ( 2.605 0.708 -0.081) 2.701 2.067 ( 3.623 0.242 -0.745) 3.707 2.125 ( 1.878 2.206 0.286) 2.911 2.158 ( 0.665 0.117 -0.938) 1.156 2.252 ( 1.121 2.372 -0.536) 2.677 2.316 ( -0.335 -1.068 -2.112) 2.390 2.387 ( 0.020 -1.734 0.880) 1.944 2.407 ( -0.164 -2.676 2.491) 3.660 2.605 ( -0.090 2.451 -1.292) 2.773 2.624 ( 0.300 2.908 -0.173) 2.928 2.683 ( -0.809 -1.384 1.718) 2.350 2.737 ( -0.350 -4.767 1.345) 4.965 2.871 ( 0.466 1.296 0.127) 1.383 2.913 ( -0.279 -2.704 2.074) 3.419 3.033 ( 0.732 1.949 -1.880) 2.804 3.061 ( 1.194 -0.976 -1.107) 1.898 3.236 ( 0.722 1.562 1.876) 2.546 3.270 ( 0.957 -1.734 0.499) 2.043 4.036 ( 0.517 3.170 0.479) 3.248 4.098 ( 0.700 -3.254 1.306) 3.575 4.358 ( -6.788 25.326 0.766) 26.231 4.674 ( 0.100 2.098 0.308) 2.123 4.709 ( -0.592 -1.958 0.587) 2.128 4.837 ( -10.275 -22.035 -0.408) 24.316 5.421 ( 0.038 0.701 -0.382) 0.799 5.428 ( 0.204 -0.080 -1.095) 1.117 5.590 ( 1.454 2.228 -1.342) 2.980 5.629 ( 1.345 -1.883 -0.385) 2.346 5.840 ( 2.877 3.803 -1.094) 4.893 5.926 ( 3.111 -4.417 -2.000) 5.761 6.189 ( 9.224 2.197 -0.091) 9.483 6.237 ( 7.497 -2.902 1.361) 8.154 6.590 ( 1.944 4.182 -1.475) 4.842 6.684 ( -1.890 -4.982 -3.338) 6.288 7.113 ( 1.268 4.855 -1.162) 5.151 7.170 ( -0.699 -1.116 -1.389) 1.914 7.430 ( -5.374 3.343 -0.232) 6.333 7.478 ( -3.151 -1.527 -0.575) 3.548 7.766 ( 3.143 18.292 -1.157) 18.596 8.131 ( 0.404 -18.017 0.117) 18.022 8.665 ( 3.030 1.592 2.967) 4.530 8.697 ( 2.425 -1.438 3.249) 4.302 9.158 ( -0.684 0.303 0.134) 0.760 9.172 ( -0.283 -1.086 -0.777) 1.365 ======================= Grid point 68 (39/78) ======================= q-point: (-0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -4.581 9.966 3.430) 11.492 0.695 ( -6.501 10.177 3.674) 12.623 0.837 ( -0.370 -9.562 4.101) 10.411 0.926 ( -3.391 -9.477 4.882) 11.187 1.045 ( -3.569 10.875 3.138) 11.868 1.182 ( -1.783 -2.741 0.063) 3.270 1.335 ( 0.350 3.311 -5.900) 6.774 1.385 ( -0.989 2.558 -1.035) 2.931 1.430 ( 1.125 -3.344 -2.618) 4.394 1.511 ( -1.064 -5.146 0.823) 5.319 1.641 ( 2.290 1.336 -1.062) 2.856 1.653 ( -2.314 0.830 2.520) 3.521 1.693 ( 0.839 -2.592 -3.585) 4.503 1.707 ( -1.001 -2.385 -1.438) 2.959 1.877 ( 0.346 0.886 -0.170) 0.967 1.882 ( 0.355 0.077 -1.291) 1.341 2.070 ( -0.615 4.518 1.524) 4.808 2.117 ( 1.148 1.536 -1.818) 2.642 2.173 ( 0.956 0.702 -1.072) 1.599 2.184 ( 2.376 -0.794 -0.761) 2.618 2.279 ( 1.424 0.613 -1.098) 1.900 2.322 ( 1.923 -2.187 -1.396) 3.229 2.384 ( -0.230 0.160 2.129) 2.147 2.416 ( 0.815 -3.406 0.854) 3.604 2.603 ( -0.085 2.719 -0.399) 2.749 2.647 ( 1.707 2.438 0.133) 2.979 2.668 ( -0.936 -1.536 1.797) 2.543 2.723 ( -0.907 -3.043 0.229) 3.184 2.904 ( 1.925 0.370 1.130) 2.262 2.920 ( 1.165 -1.508 2.833) 3.415 3.026 ( -1.131 2.450 -2.171) 3.463 3.074 ( 0.085 -2.191 -0.877) 2.361 3.228 ( -1.639 2.221 2.089) 3.461 3.270 ( -0.805 -2.117 0.027) 2.265 3.975 ( -8.046 4.847 6.053) 11.174 4.050 ( -5.769 -2.433 4.468) 7.692 4.292 ( -0.200 14.449 0.541) 14.461 4.617 ( -10.027 -16.697 -1.095) 19.507 4.676 ( -0.026 1.241 0.551) 1.358 4.702 ( -0.216 -1.232 0.446) 1.328 5.422 ( 0.041 1.357 -0.284) 1.387 5.435 ( 0.582 -0.143 -1.002) 1.167 5.602 ( 0.043 2.067 -2.908) 3.568 5.650 ( 0.818 -2.632 -1.687) 3.232 5.884 ( 1.464 4.514 -0.159) 4.748 5.949 ( 0.755 -1.980 -1.652) 2.687 6.283 ( 1.101 3.395 1.209) 3.768 6.379 ( 4.664 -5.602 1.425) 7.427 6.714 ( 10.311 3.893 -0.432) 11.030 6.781 ( 9.920 -2.779 -3.159) 10.775 7.110 ( -4.398 3.361 -0.462) 5.555 7.167 ( 3.073 -0.599 2.083) 3.760 7.332 ( -3.909 5.191 0.174) 6.500 7.452 ( 1.401 -4.656 0.446) 4.883 7.851 ( 6.076 14.501 -2.738) 15.959 8.121 ( -1.816 -13.488 -1.000) 13.646 8.691 ( -0.561 0.971 -0.860) 1.413 8.715 ( -0.626 -1.223 -0.995) 1.697 9.148 ( -0.294 0.723 -0.063) 0.783 9.170 ( 0.223 -1.479 -0.943) 1.768 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.911 0.000 9.725) 9.768 0.641 ( 3.702 0.000 12.515) 13.051 0.966 ( 4.139 0.000 15.686) 16.223 1.032 ( 0.356 0.000 -0.757) 0.836 1.135 ( -0.449 0.000 -4.892) 4.912 1.153 ( 5.002 0.000 -1.078) 5.117 1.281 ( -0.773 0.000 1.395) 1.595 1.408 ( -4.613 0.000 -7.461) 8.772 1.453 ( 0.200 0.000 2.296) 2.305 1.561 ( 0.615 0.000 -0.927) 1.113 1.575 ( -3.188 0.000 -3.735) 4.911 1.595 ( -1.333 0.000 -1.776) 2.220 1.701 ( -1.057 0.000 0.600) 1.215 1.723 ( -0.072 0.000 -4.027) 4.027 1.800 ( 1.065 0.000 -0.688) 1.268 1.824 ( 1.046 0.000 0.816) 1.326 1.958 ( 0.828 0.000 -0.326) 0.890 2.023 ( 0.243 0.000 -3.288) 3.297 2.120 ( -0.005 0.000 0.392) 0.392 2.342 ( 2.553 0.000 -4.864) 5.493 2.362 ( 0.089 0.000 1.006) 1.010 2.389 ( -0.492 0.000 1.327) 1.415 2.411 ( -1.796 0.000 1.036) 2.073 2.437 ( 1.079 0.000 6.016) 6.112 2.586 ( -0.152 0.000 3.154) 3.157 2.665 ( -0.826 0.000 1.034) 1.324 2.701 ( -1.129 0.000 0.526) 1.245 2.732 ( 1.766 0.000 -0.789) 1.934 2.874 ( -0.183 0.000 -4.003) 4.007 2.878 ( 1.402 0.000 -0.316) 1.437 3.110 ( 0.152 0.000 3.089) 3.093 3.116 ( -0.830 0.000 1.750) 1.936 3.193 ( -2.413 0.000 -0.158) 2.418 3.246 ( -0.578 0.000 -3.910) 3.953 3.710 ( -3.309 0.000 3.770) 5.016 3.936 ( -1.862 0.000 0.892) 2.065 4.338 ( -20.699 0.000 7.577) 22.042 4.663 ( 0.355 0.000 1.198) 1.249 4.734 ( 0.065 0.000 0.095) 0.115 4.788 ( 6.642 0.000 -0.794) 6.689 5.349 ( 0.722 0.000 0.888) 1.144 5.402 ( 1.254 0.000 -0.920) 1.555 5.510 ( -0.184 0.000 -0.184) 0.260 5.725 ( 0.220 0.000 -0.170) 0.277 5.804 ( -0.120 0.000 -1.794) 1.798 5.853 ( -0.243 0.000 5.039) 5.045 6.329 ( -2.634 0.000 -1.378) 2.973 6.375 ( 3.228 0.000 -17.272) 17.571 6.714 ( -3.733 0.000 3.069) 4.832 6.844 ( 1.366 0.000 1.065) 1.732 6.998 ( 9.822 0.000 -0.747) 9.850 7.131 ( 2.368 0.000 1.513) 2.810 7.446 ( -1.723 0.000 0.249) 1.741 7.687 ( 4.217 0.000 6.717) 7.931 7.778 ( 9.250 0.000 0.067) 9.250 8.158 ( -1.832 0.000 -1.113) 2.143 8.499 ( -6.006 0.000 -6.299) 8.704 8.827 ( -0.341 0.000 2.113) 2.140 9.138 ( -0.551 0.000 -0.423) 0.694 9.194 ( 1.052 0.000 -1.748) 2.040 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 7.478 0.000 8.884) 11.613 0.754 ( 6.116 0.000 8.853) 10.760 1.042 ( 0.665 0.000 -0.419) 0.785 1.050 ( 3.799 0.000 8.548) 9.354 1.197 ( 6.250 0.000 -2.843) 6.866 1.251 ( 4.927 0.000 0.095) 4.928 1.298 ( 2.315 0.000 1.722) 2.885 1.308 ( -4.328 0.000 -8.614) 9.640 1.478 ( 1.974 0.000 3.340) 3.880 1.524 ( -2.871 0.000 -0.866) 2.999 1.532 ( -0.545 0.000 -3.020) 3.068 1.598 ( 0.343 0.000 -0.069) 0.350 1.687 ( -0.159 0.000 -0.187) 0.246 1.713 ( -0.586 0.000 -3.426) 3.476 1.790 ( -2.020 0.000 -0.628) 2.116 1.828 ( -0.602 0.000 -0.428) 0.739 1.947 ( -1.001 0.000 -1.376) 1.701 2.060 ( 2.776 0.000 -2.379) 3.656 2.110 ( -1.004 0.000 0.022) 1.004 2.303 ( -5.272 0.000 2.914) 6.023 2.349 ( -1.308 0.000 -6.442) 6.574 2.366 ( -1.341 0.000 -0.382) 1.394 2.403 ( 0.696 0.000 2.619) 2.710 2.472 ( 0.363 0.000 5.416) 5.428 2.578 ( -1.059 0.000 3.202) 3.372 2.680 ( -0.654 0.000 1.599) 1.728 2.713 ( 4.991 0.000 1.042) 5.099 2.765 ( 1.286 0.000 -2.770) 3.054 2.871 ( -1.899 0.000 -1.638) 2.508 2.877 ( 0.428 0.000 -3.674) 3.699 3.093 ( -2.049 0.000 2.380) 3.141 3.115 ( 0.008 0.000 4.392) 4.392 3.145 ( -1.969 0.000 1.605) 2.541 3.226 ( -0.881 0.000 -3.739) 3.842 3.630 ( -4.808 0.000 4.444) 6.547 3.891 ( -19.920 0.000 11.639) 23.071 3.900 ( -1.832 0.000 0.072) 1.833 4.677 ( 0.609 0.000 0.989) 1.162 4.731 ( -0.183 0.000 0.033) 0.186 5.020 ( 11.602 0.000 -1.103) 11.654 5.357 ( 0.192 0.000 0.060) 0.201 5.431 ( 1.513 0.000 -0.774) 1.700 5.506 ( -0.107 0.000 0.267) 0.287 5.733 ( 0.600 0.000 -0.492) 0.776 5.801 ( -0.024 0.000 -1.491) 1.492 5.877 ( 1.305 0.000 4.788) 4.963 6.288 ( -1.454 0.000 0.457) 1.524 6.345 ( -2.241 0.000 -13.014) 13.205 6.669 ( -1.368 0.000 1.668) 2.157 6.845 ( -2.457 0.000 -1.796) 3.043 7.181 ( 9.113 0.000 -3.415) 9.732 7.212 ( 5.058 0.000 -0.362) 5.071 7.410 ( -2.090 0.000 2.692) 3.409 7.611 ( -14.423 0.000 -3.190) 14.772 7.720 ( -2.396 0.000 2.957) 3.806 8.350 ( 11.619 0.000 -2.406) 11.865 8.431 ( 0.296 0.000 -0.872) 0.921 8.785 ( -4.180 0.000 1.974) 4.623 9.139 ( 0.613 0.000 -0.464) 0.769 9.210 ( 0.609 0.000 -1.598) 1.711 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 7.375 0.000 9.027) 11.657 0.873 ( 4.970 0.000 5.237) 7.220 1.059 ( 1.368 0.000 0.063) 1.369 1.164 ( 6.844 0.000 -4.546) 8.216 1.234 ( -2.443 0.000 -7.492) 7.880 1.278 ( 1.111 0.000 2.638) 2.862 1.341 ( 4.411 0.000 2.369) 5.007 1.367 ( 3.469 0.000 2.839) 4.483 1.470 ( -1.631 0.000 0.045) 1.631 1.519 ( 2.043 0.000 1.387) 2.469 1.570 ( 4.602 0.000 -1.973) 5.007 1.621 ( 2.289 0.000 1.866) 2.953 1.688 ( -0.344 0.000 -1.745) 1.778 1.692 ( -1.066 0.000 -2.680) 2.885 1.734 ( -2.756 0.000 1.369) 3.077 1.807 ( -1.283 0.000 -1.292) 1.821 1.945 ( 1.187 0.000 -2.034) 2.355 2.078 ( -2.402 0.000 -0.671) 2.494 2.092 ( 0.607 0.000 -1.231) 1.372 2.198 ( -5.789 0.000 1.460) 5.970 2.313 ( -1.328 0.000 -6.426) 6.561 2.320 ( -3.245 0.000 -1.376) 3.525 2.407 ( -0.850 0.000 2.761) 2.889 2.467 ( -1.193 0.000 6.459) 6.569 2.560 ( -0.733 0.000 2.118) 2.241 2.689 ( 1.323 0.000 2.122) 2.501 2.760 ( -1.698 0.000 -4.355) 4.674 2.778 ( -2.537 0.000 -0.793) 2.658 2.860 ( 5.036 0.000 -0.713) 5.086 2.870 ( -0.754 0.000 -0.935) 1.201 3.029 ( -4.015 0.000 -0.238) 4.022 3.122 ( 0.118 0.000 5.584) 5.586 3.161 ( 3.203 0.000 4.597) 5.603 3.207 ( -0.737 0.000 -3.233) 3.316 3.560 ( -2.432 0.000 1.325) 2.769 3.660 ( -5.649 0.000 3.331) 6.558 3.866 ( -1.619 0.000 -0.836) 1.822 4.669 ( -1.592 0.000 0.045) 1.593 4.743 ( 1.408 0.000 0.721) 1.582 5.161 ( 3.188 0.000 -1.993) 3.760 5.357 ( -0.217 0.000 -0.942) 0.966 5.451 ( 0.590 0.000 -0.116) 0.601 5.506 ( -0.033 0.000 0.025) 0.042 5.746 ( 0.812 0.000 -0.501) 0.954 5.800 ( 0.090 0.000 -0.709) 0.714 5.850 ( -5.085 0.000 1.253) 5.237 6.278 ( 0.325 0.000 1.731) 1.762 6.357 ( 5.130 0.000 -4.927) 7.113 6.657 ( -0.176 0.000 -0.143) 0.227 6.721 ( -9.651 0.000 -3.522) 10.273 7.255 ( -2.889 0.000 -3.538) 4.568 7.313 ( 4.049 0.000 -7.933) 8.907 7.355 ( -2.679 0.000 1.826) 3.242 7.463 ( 1.039 0.000 -0.639) 1.220 7.621 ( -6.060 0.000 1.203) 6.178 8.501 ( 4.696 0.000 -0.132) 4.698 8.503 ( 5.804 0.000 6.044) 8.379 8.692 ( -5.021 0.000 3.585) 6.169 9.154 ( 0.830 0.000 -0.785) 1.143 9.214 ( 0.080 0.000 -0.664) 0.669 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 8.415 0.000 7.315) 11.150 0.940 ( 1.442 0.000 3.520) 3.804 1.095 ( 1.746 0.000 0.513) 1.820 1.178 ( -4.813 0.000 -4.443) 6.550 1.191 ( -1.412 0.000 -5.960) 6.125 1.327 ( 3.593 0.000 0.902) 3.705 1.399 ( -0.227 0.000 2.113) 2.125 1.430 ( 4.570 0.000 3.101) 5.523 1.467 ( 0.229 0.000 1.565) 1.582 1.562 ( 1.173 0.000 0.472) 1.264 1.629 ( -3.157 0.000 -1.932) 3.701 1.667 ( 4.512 0.000 -3.313) 5.598 1.684 ( 2.178 0.000 -0.433) 2.220 1.691 ( 3.387 0.000 1.909) 3.888 1.740 ( 1.966 0.000 1.821) 2.680 1.785 ( -0.539 0.000 -1.369) 1.471 1.980 ( 2.069 0.000 -1.714) 2.687 2.017 ( -3.600 0.000 -0.294) 3.612 2.085 ( -5.985 0.000 -1.678) 6.216 2.086 ( -0.682 0.000 -0.558) 0.881 2.255 ( -2.566 0.000 -2.144) 3.344 2.289 ( -0.172 0.000 -8.875) 8.877 2.382 ( -1.790 0.000 3.338) 3.788 2.454 ( -0.635 0.000 6.726) 6.755 2.560 ( 0.443 0.000 0.005) 0.443 2.696 ( -3.679 0.000 -2.531) 4.466 2.699 ( -4.062 0.000 -1.959) 4.510 2.733 ( 2.919 0.000 2.065) 3.576 2.858 ( -0.458 0.000 0.257) 0.525 2.962 ( -2.547 0.000 -2.178) 3.351 2.979 ( 5.818 0.000 0.369) 5.829 3.134 ( 0.502 0.000 5.144) 5.168 3.185 ( -1.357 0.000 -2.404) 2.760 3.255 ( 5.169 0.000 4.137) 6.621 3.545 ( 0.826 0.000 -2.346) 2.488 3.645 ( 3.445 0.000 -4.556) 5.712 3.838 ( -1.014 0.000 -1.532) 1.837 4.631 ( -2.007 0.000 -0.211) 2.018 4.773 ( 1.331 0.000 0.903) 1.608 5.155 ( -2.669 0.000 -2.433) 3.612 5.347 ( -0.686 0.000 -1.452) 1.605 5.454 ( -0.288 0.000 0.534) 0.606 5.501 ( -0.519 0.000 -0.517) 0.732 5.743 ( -4.656 0.000 2.425) 5.249 5.767 ( 1.597 0.000 0.323) 1.629 5.802 ( 0.161 0.000 0.044) 0.167 6.305 ( 2.201 0.000 2.888) 3.631 6.395 ( -6.380 0.000 -14.951) 16.255 6.586 ( 1.229 0.000 7.122) 7.227 6.652 ( -0.397 0.000 -2.754) 2.783 7.126 ( -7.481 0.000 -6.579) 9.962 7.269 ( -6.376 0.000 -11.747) 13.365 7.377 ( 2.554 0.000 3.845) 4.616 7.517 ( 2.922 0.000 0.207) 2.930 7.571 ( 0.140 0.000 5.305) 5.307 8.542 ( -0.032 0.000 3.827) 3.827 8.630 ( 5.915 0.000 7.850) 9.829 8.633 ( -1.174 0.000 3.108) 3.322 9.166 ( 0.555 0.000 -1.070) 1.206 9.214 ( -0.055 0.000 0.039) 0.068 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -2.576 0.000 4.055) 4.804 1.060 ( -6.497 0.000 -0.829) 6.550 1.081 ( 6.773 0.000 5.870) 8.962 1.102 ( -0.913 0.000 0.276) 0.954 1.156 ( -2.287 0.000 -3.869) 4.494 1.316 ( -3.972 0.000 2.643) 4.771 1.393 ( -1.519 0.000 -2.189) 2.664 1.459 ( -0.933 0.000 2.645) 2.805 1.514 ( 3.081 0.000 1.043) 3.252 1.544 ( -1.646 0.000 1.160) 2.014 1.590 ( -0.591 0.000 0.681) 0.902 1.707 ( 1.512 0.000 -1.784) 2.339 1.739 ( 0.999 0.000 0.852) 1.313 1.767 ( 1.372 0.000 -4.076) 4.301 1.787 ( 2.409 0.000 -0.156) 2.414 1.820 ( 5.660 0.000 1.136) 5.773 1.943 ( -4.049 0.000 -0.961) 4.161 1.996 ( -1.362 0.000 -1.795) 2.253 1.997 ( -0.072 0.000 -0.419) 0.425 2.081 ( 0.058 0.000 -1.253) 1.254 2.234 ( 0.587 0.000 -3.378) 3.428 2.286 ( 0.903 0.000 -11.773) 11.808 2.358 ( -0.767 0.000 4.472) 4.537 2.462 ( 0.566 0.000 6.844) 6.868 2.564 ( -0.025 0.000 -2.144) 2.144 2.637 ( -1.776 0.000 -1.729) 2.479 2.646 ( -0.990 0.000 0.898) 1.336 2.800 ( 3.414 0.000 0.389) 3.437 2.849 ( -0.331 0.000 1.170) 1.216 2.927 ( -0.730 0.000 -3.496) 3.571 3.060 ( 2.211 0.000 2.173) 3.100 3.122 ( -3.368 0.000 -0.940) 3.497 3.177 ( 1.859 0.000 1.227) 2.228 3.335 ( 2.239 0.000 2.969) 3.719 3.583 ( 3.348 0.000 -4.282) 5.435 3.763 ( 8.961 0.000 -10.797) 14.031 3.832 ( 0.696 0.000 -2.358) 2.458 4.603 ( -0.749 0.000 0.034) 0.750 4.790 ( 0.285 0.000 0.856) 0.902 5.111 ( 0.008 0.000 -1.783) 1.783 5.329 ( -0.861 0.000 -1.233) 1.504 5.444 ( -0.789 0.000 1.075) 1.334 5.486 ( -0.870 0.000 -0.430) 0.970 5.695 ( -1.005 0.000 3.385) 3.531 5.806 ( 0.184 0.000 0.287) 0.341 5.819 ( 4.043 0.000 2.616) 4.816 6.183 ( -10.759 0.000 -15.348) 18.744 6.368 ( 3.936 0.000 4.194) 5.751 6.628 ( -1.713 0.000 -6.215) 6.446 6.679 ( 4.661 0.000 8.246) 9.472 6.981 ( -6.590 0.000 -5.641) 8.675 7.123 ( -6.726 0.000 -6.718) 9.506 7.418 ( 0.563 0.000 3.428) 3.474 7.554 ( 0.747 0.000 0.080) 0.751 7.579 ( -0.643 0.000 4.936) 4.978 8.555 ( 1.570 0.000 4.288) 4.567 8.626 ( -0.447 0.000 2.849) 2.884 8.730 ( 3.448 0.000 6.217) 7.109 9.172 ( 0.147 0.000 -1.436) 1.443 9.211 ( -0.325 0.000 0.592) 0.675 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -7.372 0.000 6.209) 9.639 0.927 ( -7.642 0.000 2.335) 7.991 1.077 ( -1.605 0.000 0.447) 1.666 1.093 ( -3.052 0.000 -2.365) 3.861 1.152 ( -3.576 0.000 2.879) 4.590 1.229 ( -2.125 0.000 4.458) 4.938 1.366 ( 0.244 0.000 -0.491) 0.548 1.436 ( -1.978 0.000 2.357) 3.077 1.502 ( -1.436 0.000 1.127) 1.825 1.568 ( 0.917 0.000 -0.774) 1.200 1.597 ( 0.976 0.000 2.018) 2.242 1.711 ( -0.908 0.000 -2.326) 2.497 1.745 ( -0.033 0.000 -0.131) 0.135 1.771 ( 0.002 0.000 -4.633) 4.633 1.810 ( -0.022 0.000 -1.019) 1.019 1.810 ( -3.157 0.000 -1.644) 3.559 1.987 ( -1.093 0.000 -1.223) 1.641 2.008 ( 4.202 0.000 0.246) 4.209 2.022 ( 6.680 0.000 0.427) 6.694 2.071 ( -0.902 0.000 -0.946) 1.307 2.259 ( 2.092 0.000 -2.506) 3.265 2.287 ( 0.284 0.000 -9.151) 9.156 2.374 ( 1.790 0.000 3.806) 4.206 2.476 ( -0.305 0.000 6.543) 6.551 2.566 ( 0.539 0.000 -0.821) 0.982 2.644 ( 2.779 0.000 -0.473) 2.819 2.647 ( 0.526 0.000 0.474) 0.708 2.806 ( -1.742 0.000 -1.917) 2.590 2.897 ( 3.312 0.000 0.831) 3.415 2.933 ( 2.538 0.000 -2.850) 3.816 3.025 ( -6.208 0.000 -1.086) 6.303 3.082 ( 0.311 0.000 3.168) 3.183 3.220 ( 2.036 0.000 -1.072) 2.301 3.344 ( -1.391 0.000 1.192) 1.832 3.654 ( 4.151 0.000 -3.769) 5.607 3.861 ( 2.614 0.000 -3.345) 4.245 3.927 ( 9.078 0.000 -12.799) 15.692 4.605 ( 0.930 0.000 0.542) 1.076 4.785 ( -0.917 0.000 0.632) 1.114 5.182 ( 7.013 0.000 -4.041) 8.095 5.314 ( -0.508 0.000 -0.527) 0.732 5.427 ( -1.034 0.000 1.397) 1.738 5.465 ( -1.425 0.000 0.263) 1.449 5.697 ( 0.608 0.000 2.743) 2.809 5.809 ( 0.138 0.000 -0.066) 0.154 5.941 ( 8.190 0.000 5.093) 9.644 5.985 ( -7.773 0.000 -11.452) 13.841 6.455 ( 3.632 0.000 4.316) 5.641 6.584 ( -0.848 0.000 -7.647) 7.694 6.752 ( 1.059 0.000 9.691) 9.748 6.882 ( -1.836 0.000 -5.044) 5.368 7.007 ( -5.105 0.000 -0.734) 5.158 7.396 ( -3.013 0.000 2.635) 4.003 7.547 ( -1.297 0.000 0.008) 1.297 7.558 ( -1.719 0.000 4.386) 4.711 8.575 ( -1.546 0.000 0.258) 1.567 8.648 ( 3.454 0.000 4.599) 5.752 8.769 ( -0.029 0.000 2.754) 2.754 9.169 ( -0.169 0.000 -1.771) 1.779 9.203 ( -0.572 0.000 0.959) 1.116 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -7.672 0.000 9.695) 12.363 0.768 ( -9.732 0.000 8.392) 12.851 0.995 ( -8.340 0.000 -0.276) 8.345 1.040 ( -1.298 0.000 0.105) 1.302 1.063 ( -0.460 0.000 -1.165) 1.253 1.239 ( -1.124 0.000 6.279) 6.379 1.367 ( -1.332 0.000 2.055) 2.449 1.422 ( 1.870 0.000 0.324) 1.898 1.475 ( -1.493 0.000 1.025) 1.811 1.554 ( -1.841 0.000 -3.712) 4.144 1.630 ( 1.912 0.000 1.763) 2.601 1.686 ( -1.024 0.000 -2.072) 2.311 1.742 ( -0.349 0.000 -0.078) 0.357 1.752 ( -1.310 0.000 -5.411) 5.567 1.781 ( -0.049 0.000 -0.988) 0.990 1.792 ( -1.548 0.000 -2.136) 2.638 1.950 ( -1.796 0.000 -2.055) 2.729 2.056 ( -0.530 0.000 -0.740) 0.910 2.066 ( 2.764 0.000 0.114) 2.767 2.175 ( 7.541 0.000 1.226) 7.640 2.282 ( 0.400 0.000 -5.989) 6.002 2.301 ( 2.318 0.000 -0.581) 2.390 2.417 ( 1.909 0.000 2.547) 3.183 2.468 ( -1.015 0.000 6.692) 6.769 2.576 ( 0.343 0.000 0.585) 0.678 2.664 ( 1.193 0.000 0.441) 1.271 2.723 ( 4.635 0.000 0.995) 4.741 2.765 ( -1.984 0.000 -1.549) 2.517 2.891 ( -7.235 0.000 -0.909) 7.292 2.917 ( -0.079 0.000 -3.539) 3.540 3.027 ( 5.485 0.000 -0.118) 5.486 3.091 ( 0.363 0.000 2.817) 2.840 3.247 ( 0.947 0.000 -2.555) 2.725 3.297 ( -3.196 0.000 0.340) 3.214 3.717 ( 2.466 0.000 -1.305) 2.790 3.916 ( 3.073 0.000 -3.253) 4.475 4.094 ( 10.242 0.000 -9.837) 14.200 4.633 ( 1.661 0.000 0.966) 1.922 4.760 ( -1.565 0.000 0.368) 1.608 5.260 ( -2.615 0.000 -7.847) 8.271 5.312 ( 0.333 0.000 0.152) 0.366 5.408 ( -1.035 0.000 1.231) 1.609 5.460 ( 2.342 0.000 0.500) 2.395 5.718 ( 0.982 0.000 1.995) 2.223 5.810 ( 0.021 0.000 -0.779) 0.779 5.879 ( -1.930 0.000 -4.406) 4.811 6.116 ( 8.122 0.000 1.376) 8.238 6.452 ( -2.846 0.000 -3.771) 4.724 6.651 ( 7.262 0.000 0.685) 7.294 6.758 ( 1.504 0.000 2.066) 2.555 6.910 ( -5.515 0.000 3.440) 6.500 6.933 ( 6.476 0.000 5.859) 8.733 7.329 ( -3.294 0.000 3.246) 4.625 7.513 ( -1.987 0.000 -0.300) 2.009 7.544 ( 0.361 0.000 4.184) 4.199 8.506 ( -5.567 0.000 -1.550) 5.779 8.732 ( 4.105 0.000 3.573) 5.442 8.734 ( -3.623 0.000 -1.447) 3.901 9.163 ( -0.200 0.000 -2.077) 2.087 9.193 ( -0.646 0.000 0.921) 1.125 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -9.565 0.000 11.028) 14.598 0.609 ( -2.297 0.000 13.015) 13.216 0.907 ( -0.567 0.000 5.779) 5.807 1.030 ( -0.093 0.000 -0.467) 0.476 1.078 ( 2.548 0.000 -0.981) 2.730 1.187 ( -3.799 0.000 3.434) 5.121 1.321 ( -3.067 0.000 1.883) 3.599 1.453 ( -0.869 0.000 1.513) 1.745 1.498 ( -3.025 0.000 -5.885) 6.617 1.498 ( 4.418 0.000 -0.948) 4.518 1.645 ( -1.433 0.000 -1.019) 1.758 1.647 ( -3.213 0.000 -3.554) 4.791 1.720 ( -1.480 0.000 0.948) 1.757 1.728 ( -0.202 0.000 -4.922) 4.926 1.774 ( 0.753 0.000 -1.382) 1.574 1.796 ( 1.372 0.000 0.816) 1.596 1.939 ( 0.637 0.000 -1.149) 1.314 2.041 ( -1.013 0.000 -2.039) 2.277 2.107 ( 1.362 0.000 0.320) 1.399 2.299 ( 2.022 0.000 -4.535) 4.965 2.307 ( 5.898 0.000 1.222) 6.023 2.343 ( 1.989 0.000 0.384) 2.026 2.436 ( -0.421 0.000 1.107) 1.185 2.454 ( -1.435 0.000 7.201) 7.342 2.581 ( 0.152 0.000 2.116) 2.122 2.691 ( 1.519 0.000 0.375) 1.564 2.732 ( -1.258 0.000 -0.742) 1.461 2.737 ( -5.482 0.000 0.534) 5.508 2.828 ( 3.057 0.000 0.197) 3.064 2.897 ( -1.311 0.000 -4.108) 4.312 3.102 ( 0.345 0.000 2.589) 2.612 3.106 ( 2.272 0.000 0.168) 2.278 3.238 ( -2.638 0.000 0.281) 2.653 3.254 ( 0.191 0.000 -3.515) 3.521 3.740 ( -0.187 0.000 1.219) 1.233 3.952 ( 0.592 0.000 -0.749) 0.955 4.311 ( 12.571 0.000 -4.354) 13.304 4.661 ( 0.789 0.000 1.157) 1.400 4.735 ( -0.737 0.000 0.166) 0.756 5.032 ( -19.143 0.000 -3.260) 19.418 5.328 ( 1.161 0.000 0.584) 1.300 5.394 ( -0.363 0.000 0.317) 0.482 5.505 ( 1.160 0.000 -1.180) 1.655 5.725 ( -0.107 0.000 0.216) 0.241 5.808 ( -0.101 0.000 -1.480) 1.483 5.869 ( -0.974 0.000 3.661) 3.789 6.256 ( 8.545 0.000 -11.253) 14.130 6.388 ( -3.111 0.000 -3.515) 4.694 6.801 ( -2.983 0.000 -2.309) 3.772 6.813 ( 2.350 0.000 -0.190) 2.357 6.816 ( 6.392 0.000 7.834) 10.111 7.094 ( 4.314 0.000 5.016) 6.616 7.401 ( 15.927 0.000 8.563) 18.083 7.477 ( -1.623 0.000 -0.455) 1.685 7.592 ( 3.971 0.000 5.554) 6.827 8.350 ( -10.527 0.000 -2.876) 10.913 8.632 ( -6.328 0.000 -5.206) 8.194 8.801 ( 2.479 0.000 3.173) 4.026 9.155 ( -0.669 0.000 -1.589) 1.724 9.184 ( -0.035 0.000 -0.272) 0.274 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.765 5.479 8.406) 10.063 0.676 ( 2.112 3.098 12.136) 12.702 0.985 ( 1.769 3.029 5.293) 6.350 1.054 ( 0.040 -2.523 1.842) 3.124 1.133 ( 2.358 1.367 -5.679) 6.299 1.154 ( 1.127 -4.410 3.418) 5.692 1.192 ( 0.374 -2.917 -2.631) 3.946 1.360 ( -1.648 -0.182 1.169) 2.029 1.467 ( 0.214 -5.474 -3.991) 6.778 1.530 ( 0.117 3.047 2.583) 3.996 1.597 ( -1.203 0.009 -1.179) 1.685 1.639 ( -3.242 4.307 -1.945) 5.731 1.699 ( 1.405 -2.152 -1.315) 2.887 1.714 ( 0.736 -1.868 -2.259) 3.022 1.788 ( -0.132 3.458 -1.595) 3.810 1.876 ( 0.283 1.239 0.048) 1.271 1.993 ( 0.005 3.989 0.108) 3.990 2.016 ( 0.142 0.363 -3.229) 3.252 2.127 ( -0.263 0.064 0.048) 0.275 2.268 ( 1.372 -4.342 0.733) 4.612 2.356 ( -0.182 -2.224 0.464) 2.279 2.377 ( -1.506 -1.023 -1.668) 2.469 2.423 ( 1.426 0.366 1.784) 2.313 2.471 ( 0.382 1.763 3.044) 3.538 2.591 ( -0.193 0.569 2.588) 2.657 2.645 ( -0.187 -1.314 -0.258) 1.353 2.696 ( -0.181 -0.720 0.650) 0.987 2.733 ( 1.254 -0.338 -1.043) 1.666 2.866 ( -0.045 1.452 -2.178) 2.618 2.917 ( -0.592 1.936 -1.771) 2.690 3.053 ( 0.668 -2.556 3.015) 4.008 3.152 ( 0.020 -2.640 0.630) 2.715 3.179 ( -2.493 2.119 1.056) 3.438 3.246 ( -0.520 -0.039 -2.674) 2.724 3.782 ( -5.734 6.514 4.327) 9.697 3.970 ( -2.365 2.673 0.416) 3.593 4.281 ( -14.858 -3.262 7.584) 16.998 4.666 ( 0.951 -0.188 0.876) 1.307 4.727 ( 2.390 -3.881 -0.428) 4.578 4.729 ( 2.764 -2.360 -0.072) 3.635 5.380 ( 0.391 2.574 0.169) 2.609 5.410 ( 1.332 0.825 -1.396) 2.099 5.510 ( -0.279 0.233 -0.482) 0.604 5.688 ( 0.275 -3.663 -1.326) 3.906 5.816 ( -0.024 2.857 0.230) 2.866 5.942 ( 0.185 4.535 2.341) 5.106 6.229 ( 0.481 -1.503 -4.096) 4.390 6.474 ( -3.323 2.254 -5.259) 6.617 6.772 ( -0.289 4.850 -0.778) 4.921 6.875 ( 3.270 2.751 1.251) 4.453 6.993 ( 8.359 -0.088 -1.365) 8.470 7.217 ( 1.838 8.571 1.934) 8.977 7.372 ( -1.602 -6.682 0.555) 6.893 7.678 ( 4.483 -1.363 5.345) 7.108 7.797 ( 6.611 2.015 -1.684) 7.114 8.129 ( -2.406 -3.369 -0.940) 4.246 8.508 ( -5.449 0.940 -5.937) 8.113 8.759 ( -0.595 -6.425 0.832) 6.506 9.136 ( -0.255 -0.013 -0.352) 0.435 9.181 ( 0.746 -1.137 -1.189) 1.807 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 6.179 4.023 8.399) 11.176 0.771 ( 6.122 1.303 9.656) 11.507 1.029 ( -0.357 -2.016 0.037) 2.048 1.039 ( 3.313 -0.208 -0.206) 3.326 1.172 ( 2.205 -6.694 1.826) 7.280 1.229 ( 3.517 0.098 -3.873) 5.233 1.240 ( 4.470 -2.906 -3.181) 6.209 1.353 ( 1.467 6.712 5.307) 8.681 1.458 ( -0.036 -4.907 -4.282) 6.513 1.554 ( 1.721 2.981 2.801) 4.438 1.579 ( -1.136 0.787 -0.060) 1.383 1.589 ( -1.263 3.892 -1.729) 4.442 1.709 ( 0.235 -1.052 -3.020) 3.207 1.726 ( 0.089 -0.562 -0.550) 0.791 1.769 ( -1.633 3.143 -2.054) 4.094 1.863 ( -1.607 1.369 -0.410) 2.150 1.972 ( -1.103 2.244 -0.609) 2.574 2.040 ( 1.654 -0.265 -2.196) 2.762 2.113 ( -1.257 -0.372 0.217) 1.328 2.281 ( -0.559 -5.520 1.913) 5.869 2.324 ( -2.855 0.336 0.713) 2.961 2.338 ( -1.791 -0.817 -3.287) 3.831 2.424 ( -1.134 0.310 1.018) 1.555 2.480 ( -0.183 0.159 3.365) 3.374 2.570 ( -1.815 -0.095 2.548) 3.130 2.666 ( 1.265 -0.148 0.308) 1.311 2.708 ( 1.816 -2.191 -0.471) 2.884 2.776 ( 3.290 0.236 -1.277) 3.537 2.856 ( -1.026 1.120 -1.602) 2.207 2.896 ( -1.455 0.657 -1.811) 2.414 3.061 ( -0.670 -1.942 2.118) 2.951 3.103 ( -2.847 -2.242 1.822) 4.056 3.166 ( -0.615 2.393 2.778) 3.718 3.238 ( 0.023 0.733 -2.196) 2.315 3.671 ( -5.733 3.473 4.886) 8.295 3.833 ( -11.831 -2.317 6.660) 13.773 4.049 ( -5.076 11.655 2.491) 12.954 4.683 ( 0.566 0.537 0.882) 1.177 4.726 ( -0.130 -0.486 0.072) 0.508 4.925 ( 11.066 -9.283 -0.788) 14.465 5.387 ( 0.334 2.507 -0.103) 2.532 5.440 ( 1.657 0.968 -1.137) 2.231 5.504 ( -0.301 -0.032 0.076) 0.312 5.693 ( 0.452 -3.794 -1.298) 4.036 5.820 ( 0.408 2.784 0.066) 2.814 5.936 ( -1.137 3.570 1.438) 4.013 6.235 ( 0.272 -3.145 -1.556) 3.519 6.332 ( -8.755 -1.417 -4.339) 9.873 6.734 ( -1.467 6.476 1.962) 6.924 6.980 ( 3.745 10.190 -4.927) 11.922 7.162 ( 8.101 -1.913 -3.421) 8.999 7.267 ( 3.446 4.996 1.032) 6.157 7.358 ( 0.779 -3.781 2.461) 4.578 7.607 ( -13.845 -0.391 -3.023) 14.176 7.722 ( -4.109 0.582 0.789) 4.224 8.266 ( 8.541 -8.212 -0.846) 11.878 8.456 ( 1.201 2.116 -1.047) 2.648 8.725 ( -2.874 -5.565 1.133) 6.366 9.140 ( 0.608 0.189 -0.467) 0.790 9.195 ( 0.696 -1.315 -1.135) 1.872 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 5.878 1.681 8.023) 10.087 0.905 ( 6.043 2.297 5.075) 8.219 1.033 ( 1.415 -2.841 0.001) 3.174 1.154 ( 7.397 0.558 -3.716) 8.297 1.215 ( 2.006 -7.430 3.080) 8.290 1.270 ( 0.951 1.673 -3.405) 3.912 1.301 ( 2.523 1.000 -3.097) 4.118 1.419 ( 3.034 4.157 6.299) 8.134 1.472 ( 1.824 -2.553 -4.606) 5.573 1.535 ( -0.957 1.528 0.045) 1.803 1.585 ( 0.363 1.713 -0.529) 1.829 1.611 ( 2.362 -0.156 1.858) 3.009 1.706 ( -1.025 -2.045 -0.771) 2.414 1.714 ( -0.486 2.693 -0.468) 2.777 1.741 ( 0.075 3.235 -1.755) 3.681 1.821 ( -2.307 1.488 -0.719) 2.838 1.968 ( 0.925 1.989 -1.126) 2.466 2.058 ( 0.163 -1.692 -1.347) 2.169 2.076 ( -2.578 -0.326 -0.292) 2.614 2.232 ( -4.580 0.352 -0.076) 4.594 2.266 ( -2.784 -3.679 1.090) 4.740 2.305 ( -1.202 -0.925 -5.123) 5.343 2.397 ( -1.622 -0.629 1.860) 2.547 2.474 ( -0.688 0.143 4.356) 4.412 2.545 ( -0.798 -0.498 1.954) 2.169 2.690 ( 1.467 0.782 1.552) 2.275 2.727 ( -0.487 -2.900 -4.052) 5.007 2.816 ( -2.560 1.953 -0.427) 3.248 2.846 ( 0.493 -1.317 -1.163) 1.825 2.871 ( 2.336 0.396 0.453) 2.413 3.018 ( -2.527 -0.700 -0.062) 2.623 3.095 ( 0.823 -3.395 2.480) 4.284 3.155 ( -0.741 2.004 3.917) 4.462 3.242 ( 0.491 1.434 -0.514) 1.601 3.596 ( -2.102 2.719 1.125) 3.616 3.672 ( -4.393 0.731 1.935) 4.855 4.006 ( -0.853 14.600 -0.274) 14.628 4.678 ( -1.231 0.793 0.119) 1.469 4.736 ( 1.130 -0.685 0.643) 1.469 5.080 ( 4.629 -8.601 -1.805) 9.933 5.390 ( -0.119 2.760 -0.546) 2.815 5.466 ( 1.047 1.556 -0.349) 1.908 5.500 ( -0.119 -0.489 0.135) 0.521 5.703 ( 0.752 -3.759 -0.900) 3.938 5.830 ( 0.580 2.790 0.220) 2.858 5.876 ( -5.794 2.254 -0.291) 6.224 6.191 ( -3.139 -6.159 2.093) 7.223 6.240 ( -0.848 -9.394 -4.322) 10.375 6.739 ( 1.540 9.609 3.306) 10.277 6.941 ( -6.841 14.677 -7.502) 17.847 7.243 ( 1.307 -2.307 -4.425) 5.159 7.331 ( -5.756 2.673 -3.962) 7.482 7.384 ( 2.442 2.298 0.491) 3.389 7.436 ( 4.063 -1.511 -0.674) 4.387 7.603 ( -6.780 -1.116 0.360) 6.880 8.379 ( 3.758 -11.359 1.295) 12.034 8.526 ( 4.756 1.342 4.866) 6.935 8.666 ( -3.004 -2.338 3.042) 4.873 9.154 ( 0.734 0.080 -0.668) 0.996 9.203 ( 0.243 -1.094 -0.489) 1.222 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 5.524 -0.355 5.433) 7.756 0.995 ( 3.126 3.723 2.365) 5.406 1.076 ( 2.265 -1.691 1.221) 3.079 1.202 ( -2.591 1.512 -1.487) 3.348 1.274 ( -0.440 5.557 -3.417) 6.538 1.287 ( 4.662 -5.710 0.532) 7.390 1.335 ( 1.708 0.704 0.419) 1.895 1.447 ( -0.879 1.489 1.549) 2.322 1.502 ( 1.715 -0.104 0.726) 1.865 1.538 ( -0.077 -0.616 -1.072) 1.238 1.604 ( 1.473 -3.694 -0.001) 3.977 1.644 ( 0.918 -1.902 -1.464) 2.570 1.684 ( 0.459 1.270 0.447) 1.423 1.733 ( 2.297 2.388 -0.517) 3.353 1.768 ( 2.124 2.538 -0.824) 3.411 1.791 ( -0.249 0.402 0.901) 1.018 1.988 ( 0.088 0.618 -1.176) 1.331 2.011 ( -3.303 -0.552 -0.654) 3.412 2.049 ( -0.924 -0.739 -1.118) 1.628 2.138 ( -4.145 2.326 -1.527) 4.992 2.223 ( -1.199 -2.746 -2.669) 4.012 2.285 ( -0.248 -0.901 -5.610) 5.687 2.368 ( -1.609 -0.588 1.957) 2.601 2.471 ( -0.111 0.561 4.834) 4.868 2.544 ( 0.321 -0.547 0.457) 0.782 2.678 ( -2.926 -0.938 -2.977) 4.279 2.736 ( 2.690 0.533 1.525) 3.137 2.762 ( -2.903 4.491 -1.152) 5.470 2.828 ( -0.496 -2.561 0.725) 2.708 2.930 ( 0.378 -1.508 -1.246) 1.992 3.007 ( 2.509 0.617 -0.012) 2.584 3.112 ( 0.161 -3.560 1.417) 3.835 3.157 ( 0.696 -0.308 2.828) 2.929 3.250 ( 0.267 -0.515 1.928) 2.013 3.594 ( 1.872 3.334 -3.183) 4.975 3.661 ( 3.090 1.208 -4.738) 5.784 4.003 ( 0.601 17.318 -0.945) 17.354 4.648 ( -1.563 1.596 -0.083) 2.235 4.760 ( 1.090 -1.237 0.808) 1.836 5.103 ( -1.316 -5.852 -2.431) 6.472 5.379 ( -0.874 2.806 -0.978) 3.097 5.475 ( -0.043 2.211 0.504) 2.268 5.499 ( -0.196 -0.301 -0.317) 0.479 5.721 ( 1.085 -3.410 -0.190) 3.584 5.751 ( -5.320 0.952 1.814) 5.700 5.845 ( 0.806 3.038 0.466) 3.177 6.180 ( -1.405 -8.446 -0.753) 8.595 6.213 ( 0.640 -14.303 -2.112) 14.472 6.756 ( -9.681 10.243 -9.628) 17.069 6.784 ( 1.864 12.363 4.620) 13.329 7.181 ( -6.797 -2.237 -7.765) 10.560 7.214 ( -3.775 1.638 -6.362) 7.577 7.429 ( 0.608 5.216 1.173) 5.380 7.522 ( 3.621 0.743 0.191) 3.701 7.558 ( 1.562 -1.086 5.135) 5.476 8.421 ( 0.889 -12.217 2.224) 12.450 8.629 ( 3.141 -0.147 6.373) 7.107 8.632 ( 0.760 0.009 5.512) 5.564 9.165 ( 0.484 -0.053 -0.836) 0.968 9.205 ( 0.026 -0.898 0.060) 0.901 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.686 0.945 4.179) 4.339 1.050 ( 0.629 1.050 2.778) 3.036 1.082 ( -1.423 1.555 -0.850) 2.273 1.135 ( -2.779 1.458 -1.188) 3.356 1.257 ( -1.208 6.347 3.291) 7.251 1.323 ( -1.705 -0.941 2.116) 2.876 1.361 ( 1.167 -1.035 -0.769) 1.739 1.400 ( -3.263 -0.942 -1.224) 3.610 1.498 ( -1.546 -4.077 -0.048) 4.360 1.563 ( 2.238 2.197 1.429) 3.447 1.601 ( -1.901 -1.987 0.481) 2.791 1.645 ( 0.713 -3.697 -1.894) 4.214 1.729 ( 1.398 0.158 0.415) 1.467 1.778 ( 2.110 0.231 -3.119) 3.773 1.804 ( 2.213 -0.124 1.418) 2.631 1.843 ( 4.569 2.221 0.307) 5.089 1.942 ( -3.808 -0.015 -1.292) 4.021 1.965 ( -0.484 -1.051 -0.393) 1.222 2.033 ( -0.273 2.166 -2.866) 3.603 2.103 ( -0.189 1.787 -0.451) 1.852 2.217 ( 0.733 -1.296 -5.044) 5.259 2.286 ( 1.206 -0.753 -6.968) 7.111 2.344 ( -0.966 -0.172 2.320) 2.519 2.482 ( 0.734 0.470 4.487) 4.571 2.548 ( 0.026 -0.510 -1.363) 1.456 2.630 ( -1.509 0.005 -0.618) 1.631 2.714 ( -1.540 4.280 0.008) 4.549 2.802 ( 3.550 0.952 -0.152) 3.679 2.822 ( -0.126 -2.223 1.311) 2.584 2.910 ( -1.132 -0.759 -2.115) 2.516 3.060 ( 1.605 -0.954 0.905) 2.075 3.096 ( -2.124 -2.733 0.102) 3.463 3.178 ( 1.343 -0.155 1.029) 1.699 3.269 ( 1.568 -4.110 2.457) 5.039 3.653 ( 4.626 4.502 -6.059) 8.853 3.762 ( 7.560 0.130 -9.291) 11.978 4.020 ( 0.899 18.880 -2.184) 19.027 4.626 ( -0.587 2.194 0.105) 2.274 4.774 ( 0.245 -1.536 0.747) 1.725 5.074 ( 0.024 -4.209 -1.975) 4.649 5.362 ( -0.542 2.719 -0.903) 2.916 5.470 ( -0.532 2.648 1.029) 2.890 5.487 ( -0.941 0.130 -0.271) 0.987 5.686 ( -1.595 -0.778 3.013) 3.496 5.757 ( 1.985 -2.696 0.424) 3.374 5.867 ( 1.752 2.195 1.689) 3.278 6.097 ( -5.234 -7.217 -8.220) 12.126 6.278 ( 4.567 -11.999 2.773) 13.135 6.576 ( -7.475 3.816 -5.351) 9.954 6.811 ( 0.030 7.157 1.615) 7.337 7.053 ( -4.675 0.778 -6.478) 8.026 7.135 ( -3.507 5.280 -2.680) 6.882 7.442 ( 0.100 4.051 2.940) 5.006 7.564 ( 0.670 1.060 0.182) 1.267 7.586 ( -0.036 0.584 4.065) 4.106 8.440 ( 1.016 -12.197 1.897) 12.386 8.629 ( 0.328 0.906 4.735) 4.832 8.720 ( 3.265 -1.057 6.057) 6.962 9.169 ( 0.094 -0.127 -1.080) 1.092 9.203 ( -0.283 -0.799 0.501) 0.985 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -5.939 3.455 5.547) 8.830 0.958 ( -7.177 3.232 2.253) 8.187 1.063 ( -2.834 -1.018 0.401) 3.038 1.100 ( -1.151 2.373 0.536) 2.691 1.240 ( -2.822 1.502 1.695) 3.618 1.246 ( -4.895 5.563 2.921) 7.965 1.324 ( -1.430 -4.223 1.174) 4.611 1.397 ( 0.630 -0.094 0.796) 1.019 1.468 ( -1.622 -4.791 -0.762) 5.115 1.562 ( -1.495 -1.822 0.567) 2.424 1.603 ( 1.234 0.891 0.350) 1.562 1.658 ( 0.635 -3.872 -1.353) 4.151 1.733 ( -0.177 -0.363 -0.315) 0.512 1.795 ( -2.187 0.214 -0.526) 2.260 1.803 ( 0.038 1.982 -4.020) 4.482 1.864 ( -0.534 1.407 -1.219) 1.936 1.964 ( 2.102 0.151 -0.923) 2.301 2.012 ( 5.951 -0.948 0.906) 6.094 2.041 ( 1.435 1.911 -1.675) 2.919 2.093 ( -0.531 2.119 0.015) 2.184 2.230 ( 0.952 -1.527 -4.746) 5.076 2.316 ( 2.543 -0.828 -5.629) 6.231 2.340 ( 0.240 0.007 3.056) 3.066 2.500 ( -0.024 0.897 4.504) 4.592 2.552 ( 1.208 -1.195 -1.293) 2.135 2.614 ( -0.527 -0.372 0.719) 0.965 2.708 ( 0.743 2.612 0.313) 2.733 2.806 ( -0.658 0.318 -1.021) 1.255 2.867 ( 0.370 -2.569 -1.057) 2.803 2.910 ( 2.841 -0.328 -0.385) 2.885 3.036 ( -3.402 -0.164 -0.425) 3.433 3.072 ( 0.006 -2.021 1.382) 2.449 3.210 ( 1.686 -0.465 -0.491) 1.816 3.299 ( 0.814 -3.012 1.000) 3.276 3.750 ( 5.875 5.973 -6.999) 10.917 3.910 ( 8.816 -0.070 -10.036) 13.359 4.018 ( -0.903 16.010 -3.129) 16.338 4.628 ( 0.679 2.119 0.496) 2.280 4.770 ( -0.760 -1.435 0.547) 1.713 5.118 ( 3.692 -6.307 -3.373) 8.049 5.366 ( 1.245 3.301 -1.040) 3.678 5.454 ( -1.603 1.946 0.965) 2.699 5.466 ( -0.864 1.201 0.582) 1.590 5.679 ( 0.233 -1.730 2.368) 2.942 5.784 ( 0.631 -1.717 -0.437) 1.880 5.928 ( 2.714 -3.025 1.270) 4.258 6.001 ( -1.121 2.180 -5.437) 5.964 6.364 ( 2.088 -14.241 -0.029) 14.393 6.483 ( 0.054 2.896 0.910) 3.036 6.801 ( -0.332 -0.739 2.498) 2.626 7.004 ( -0.501 6.724 0.030) 6.743 7.071 ( -2.859 8.731 -2.640) 9.559 7.427 ( -2.138 4.593 2.478) 5.640 7.546 ( -2.550 0.142 0.801) 2.677 7.571 ( -1.404 1.028 2.542) 3.081 8.453 ( -0.339 -12.475 0.515) 12.490 8.657 ( 1.975 1.181 3.775) 4.421 8.761 ( 0.360 -1.003 2.658) 2.864 9.166 ( -0.253 -0.198 -1.300) 1.339 9.195 ( -0.580 -0.769 0.802) 1.253 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -7.151 4.792 8.052) 11.788 0.805 ( -9.215 4.046 6.951) 12.232 1.007 ( -3.205 1.391 -0.044) 3.494 1.059 ( -2.753 1.825 1.351) 3.569 1.118 ( -3.748 3.499 -1.268) 5.282 1.238 ( -1.719 -0.775 4.262) 4.661 1.295 ( -2.103 -4.428 1.883) 5.251 1.405 ( 0.765 0.263 0.547) 0.976 1.433 ( -1.864 -5.434 -1.512) 5.940 1.546 ( -0.380 -0.878 0.644) 1.153 1.614 ( 0.150 -0.964 -0.019) 0.975 1.665 ( 0.466 -2.804 -1.799) 3.364 1.729 ( -0.428 -0.405 -0.095) 0.597 1.757 ( -1.104 1.544 -1.777) 2.600 1.804 ( -0.087 1.897 -2.980) 3.534 1.842 ( -1.186 2.106 -1.661) 2.933 1.981 ( 0.167 2.994 -1.931) 3.567 2.047 ( -0.825 0.659 -0.490) 1.164 2.085 ( 2.588 1.017 -1.153) 3.010 2.166 ( 5.993 -1.683 1.571) 6.420 2.243 ( 1.246 -1.153 -3.008) 3.453 2.359 ( 1.218 -1.106 4.134) 4.449 2.362 ( 2.486 -0.189 -3.733) 4.489 2.489 ( -1.159 0.667 3.676) 3.912 2.587 ( 1.329 0.768 0.671) 1.675 2.608 ( 0.381 -3.211 1.152) 3.433 2.721 ( -0.017 -0.732 0.102) 0.739 2.810 ( 1.117 2.497 -0.135) 2.738 2.830 ( -2.862 -2.568 -1.751) 4.226 2.954 ( -0.404 1.187 -2.226) 2.555 3.008 ( 1.486 -1.124 1.067) 2.147 3.082 ( 1.271 -2.011 0.944) 2.559 3.234 ( 0.825 -0.117 -1.246) 1.499 3.292 ( -1.418 -0.701 -0.340) 1.618 3.846 ( 4.130 9.104 -5.214) 11.275 3.988 ( -1.381 9.142 -1.708) 9.402 4.080 ( 10.032 -0.300 -7.787) 12.703 4.649 ( 1.243 1.456 0.851) 2.095 4.749 ( -1.312 -1.030 0.349) 1.704 5.121 ( -4.901 -11.224 -3.739) 12.806 5.380 ( -0.708 2.704 -1.776) 3.312 5.417 ( -1.426 0.621 1.199) 1.964 5.481 ( 2.335 2.630 -0.649) 3.577 5.687 ( 0.100 -3.136 0.552) 3.186 5.800 ( 1.518 0.524 0.920) 1.851 5.903 ( -1.019 1.108 -3.301) 3.628 6.120 ( 8.909 0.607 -0.167) 8.932 6.340 ( -1.168 -7.911 -3.150) 8.595 6.601 ( 9.065 -0.287 4.182) 9.988 6.815 ( 0.085 -2.921 7.445) 7.998 7.021 ( -2.034 11.868 -4.824) 12.972 7.032 ( 4.353 7.485 5.699) 10.366 7.372 ( -2.910 4.828 2.481) 6.159 7.488 ( -3.004 -0.894 -0.021) 3.134 7.560 ( 0.600 1.341 2.452) 2.858 8.414 ( -3.893 -10.138 -0.958) 10.902 8.698 ( 0.920 -1.197 1.595) 2.196 8.741 ( -1.715 -0.527 -0.846) 1.983 9.158 ( -0.374 -0.334 -1.465) 1.548 9.184 ( -0.644 -0.802 0.802) 1.304 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -8.297 4.326 9.694) 13.473 0.674 ( -3.430 5.565 10.292) 12.193 0.960 ( -0.551 4.851 2.397) 5.439 1.042 ( 0.300 -0.500 1.599) 1.702 1.090 ( 0.598 0.579 -0.721) 1.101 1.195 ( -2.560 -1.017 2.595) 3.784 1.231 ( -4.026 -4.405 -0.547) 5.993 1.395 ( -1.918 -4.146 -0.097) 4.569 1.443 ( 2.486 -3.352 -2.315) 4.773 1.537 ( -0.754 1.585 1.297) 2.182 1.615 ( -0.184 -1.635 -0.759) 1.812 1.674 ( 0.611 -1.937 -0.813) 2.187 1.713 ( -0.916 -2.025 -2.531) 3.369 1.716 ( -3.255 3.065 -1.012) 4.584 1.787 ( -0.062 3.092 -3.006) 4.313 1.854 ( 1.717 2.046 0.202) 2.678 1.982 ( 0.443 4.577 -1.353) 4.793 2.032 ( -0.717 0.120 -1.566) 1.727 2.120 ( 1.101 0.830 -0.648) 1.523 2.237 ( 1.829 -3.644 -0.928) 4.181 2.305 ( 4.642 -1.158 0.983) 4.885 2.390 ( 1.350 0.435 3.346) 3.634 2.391 ( 0.642 -1.672 -2.642) 3.192 2.472 ( -0.865 0.790 3.724) 3.904 2.589 ( -0.233 0.657 2.034) 2.150 2.638 ( 1.499 -2.735 0.460) 3.153 2.711 ( -0.831 -1.367 -0.078) 1.602 2.750 ( -3.367 -0.708 -0.633) 3.499 2.854 ( 1.745 2.865 -0.613) 3.410 2.932 ( -0.924 2.684 -2.813) 3.997 3.035 ( 0.876 -3.488 2.053) 4.141 3.122 ( 2.260 -1.878 0.589) 2.997 3.229 ( -1.767 0.559 -0.088) 1.856 3.261 ( -0.999 0.030 -2.212) 2.428 3.862 ( -2.279 11.361 -0.173) 11.588 3.981 ( 0.493 2.537 -0.861) 2.724 4.275 ( 10.049 -2.540 -2.629) 10.693 4.669 ( 0.516 0.794 1.040) 1.407 4.729 ( -0.632 -0.636 0.214) 0.922 4.898 ( -16.539 -11.711 -0.324) 20.267 5.371 ( 0.346 3.000 -0.607) 3.080 5.402 ( -0.334 0.637 -0.051) 0.721 5.511 ( 0.583 0.781 -1.383) 1.692 5.686 ( 0.020 -3.601 -0.861) 3.703 5.818 ( -0.043 2.450 0.703) 2.549 5.920 ( 1.892 2.446 1.166) 3.305 6.223 ( 1.437 -0.419 -5.849) 6.038 6.408 ( 8.250 0.216 -3.963) 9.156 6.764 ( 2.632 -0.743 -0.790) 2.847 6.803 ( 3.027 -1.124 9.641) 10.168 6.962 ( -3.668 9.088 -3.598) 10.440 7.169 ( 4.607 7.396 5.147) 10.120 7.389 ( 2.065 -5.405 2.433) 6.276 7.482 ( 8.472 4.626 1.631) 9.789 7.614 ( 4.905 2.639 3.571) 6.616 8.293 ( -8.670 -6.374 -2.244) 10.993 8.632 ( -5.842 0.060 -4.764) 7.538 8.751 ( 1.077 -4.335 1.196) 4.624 9.148 ( -0.618 -0.433 -1.055) 1.297 9.175 ( -0.159 -0.799 -0.102) 0.821 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.885 8.930 6.616) 11.149 0.754 ( 0.228 4.477 7.797) 8.994 0.921 ( -1.349 -6.962 3.551) 7.931 0.968 ( -1.860 -9.859 2.460) 10.330 1.094 ( 1.398 4.771 0.321) 4.982 1.160 ( 1.127 -0.772 -2.306) 2.681 1.205 ( 1.979 3.661 -6.321) 7.568 1.310 ( 1.032 -6.206 -5.160) 8.136 1.494 ( 0.927 6.404 6.171) 8.942 1.556 ( 0.298 -0.054 2.672) 2.689 1.597 ( -0.508 0.156 -2.251) 2.313 1.627 ( 0.137 -3.033 -1.177) 3.256 1.682 ( 1.323 -0.015 -0.736) 1.514 1.709 ( -0.595 -0.293 0.527) 0.847 1.857 ( 0.122 2.505 -0.944) 2.680 1.881 ( 0.091 -0.301 -0.350) 0.471 2.043 ( -1.132 2.811 -1.625) 3.439 2.078 ( -0.294 1.779 -1.050) 2.087 2.121 ( -1.101 1.130 -1.547) 2.209 2.190 ( -0.420 -4.025 0.372) 4.064 2.318 ( 1.353 -0.851 -0.642) 1.723 2.338 ( 0.791 -2.293 0.408) 2.460 2.434 ( 0.311 1.067 2.364) 2.612 2.465 ( -0.161 -1.777 2.466) 3.044 2.614 ( -0.015 1.752 -0.004) 1.752 2.636 ( -0.248 -0.245 -1.761) 1.795 2.685 ( -0.150 0.017 0.308) 0.343 2.707 ( 0.966 -1.910 -0.866) 2.309 2.914 ( -0.240 2.613 -1.655) 3.102 2.944 ( -1.253 0.223 -2.140) 2.490 3.027 ( 1.065 0.613 3.115) 3.349 3.079 ( -0.271 -3.857 1.347) 4.095 3.221 ( -1.046 1.654 0.516) 2.024 3.242 ( -0.504 -0.511 -0.740) 1.031 3.907 ( -9.739 5.342 5.560) 12.421 3.983 ( -8.584 -2.164 3.643) 9.573 4.327 ( -0.878 8.707 1.986) 8.973 4.540 ( 4.010 -11.013 -0.576) 11.734 4.693 ( 0.179 0.860 0.695) 1.120 4.713 ( 0.146 -0.963 0.363) 1.040 5.418 ( 0.525 1.136 -0.578) 1.378 5.428 ( 1.288 0.376 -1.248) 1.833 5.536 ( -0.381 2.804 -1.342) 3.132 5.609 ( 0.031 -4.189 -1.702) 4.522 5.883 ( 0.234 3.647 -0.813) 3.743 5.949 ( 0.660 -2.694 -1.016) 2.954 6.316 ( -1.359 7.873 1.637) 8.156 6.447 ( -3.739 -4.590 0.799) 5.974 6.854 ( 5.596 3.361 -1.496) 6.697 6.902 ( 8.447 -1.076 0.513) 8.531 7.040 ( 0.168 5.882 -1.164) 5.998 7.194 ( -2.383 -8.981 0.163) 9.293 7.450 ( 3.659 11.567 3.563) 12.644 7.618 ( 4.698 -5.313 4.129) 8.206 7.869 ( 1.426 5.816 -3.439) 6.906 8.016 ( -2.293 -7.946 -1.625) 8.428 8.541 ( -3.960 2.627 -4.752) 6.721 8.624 ( -1.914 -6.135 -2.349) 6.842 9.142 ( 0.117 0.596 -0.333) 0.693 9.158 ( 0.378 -1.055 -0.568) 1.256 ======================= Grid point 102 (57/78) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 3.833 8.129 7.660) 11.809 0.814 ( 5.223 3.977 5.901) 8.827 0.909 ( 0.736 -6.800 1.700) 7.048 0.972 ( 2.061 -10.037 4.066) 11.024 1.142 ( 3.690 5.175 -1.792) 6.604 1.210 ( 3.919 -1.017 -2.723) 4.880 1.255 ( 3.556 1.895 -5.599) 6.898 1.334 ( 2.119 -5.539 -5.561) 8.130 1.513 ( 0.067 5.789 7.103) 9.163 1.563 ( 0.078 -0.485 1.877) 1.940 1.587 ( 0.282 1.265 -0.909) 1.583 1.638 ( 0.444 -2.212 -0.820) 2.401 1.695 ( -0.066 1.287 -3.064) 3.324 1.718 ( 1.127 -0.123 -0.761) 1.365 1.846 ( -1.109 2.995 -1.038) 3.358 1.873 ( -0.871 -0.176 -0.432) 0.988 2.019 ( -0.986 2.969 -0.284) 3.141 2.070 ( -0.234 0.624 -0.849) 1.079 2.094 ( -1.610 0.512 -0.349) 1.725 2.171 ( -1.654 -5.389 0.951) 5.716 2.311 ( -1.558 -0.172 -2.311) 2.792 2.328 ( -2.109 -1.097 0.457) 2.421 2.427 ( -1.245 0.701 1.871) 2.354 2.458 ( -0.764 -2.052 2.437) 3.276 2.591 ( -1.397 2.114 0.582) 2.600 2.644 ( 0.790 -2.964 -1.747) 3.530 2.698 ( 1.465 2.097 0.554) 2.617 2.746 ( 2.706 -2.433 -0.813) 3.728 2.900 ( -1.312 1.795 -1.437) 2.647 2.908 ( -2.312 0.573 -1.164) 2.651 3.036 ( -0.736 -0.465 1.380) 1.632 3.053 ( -1.673 -2.215 2.171) 3.524 3.214 ( -0.211 2.137 1.601) 2.679 3.241 ( 0.366 -0.559 -0.061) 0.671 3.738 ( -7.670 3.090 5.434) 9.895 3.790 ( -9.530 -2.292 5.708) 11.342 4.342 ( 2.082 17.394 0.278) 17.520 4.671 ( 7.546 -13.865 -0.328) 15.789 4.699 ( 0.432 -0.200 0.488) 0.682 4.716 ( 0.387 -1.585 0.292) 1.658 5.430 ( 0.698 1.696 -0.451) 1.889 5.453 ( 1.324 -0.366 -0.926) 1.657 5.529 ( -0.157 3.191 -0.830) 3.301 5.609 ( 0.262 -4.513 -1.398) 4.732 5.888 ( 0.425 3.835 -0.919) 3.966 5.953 ( -0.130 -2.055 -1.689) 2.663 6.229 ( -7.123 2.395 1.320) 7.630 6.288 ( -11.008 -2.956 -0.031) 11.398 6.900 ( 1.421 9.832 1.781) 10.093 7.078 ( 3.538 -7.135 -1.026) 8.030 7.130 ( 9.799 4.894 -3.421) 11.475 7.219 ( 6.378 -5.024 0.236) 8.123 7.482 ( -0.640 9.626 0.674) 9.671 7.587 ( -8.868 -2.191 -1.378) 9.238 7.788 ( -5.615 8.284 -2.548) 10.328 8.039 ( 2.161 -14.398 -0.494) 14.567 8.512 ( 1.276 3.696 -0.671) 3.967 8.605 ( -0.027 -5.903 -0.132) 5.904 9.149 ( 0.592 0.734 -0.465) 1.051 9.169 ( 0.648 -1.241 -0.614) 1.529 ======================= Grid point 103 (58/78) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 3.963 5.956 5.209) 8.849 0.930 ( 5.539 -0.438 3.460) 6.545 0.975 ( 4.932 -1.620 3.313) 6.159 1.045 ( 4.419 -7.819 4.671) 10.123 1.227 ( 5.066 4.926 -2.737) 7.577 1.288 ( 4.096 -0.265 -1.666) 4.430 1.319 ( 3.419 1.166 -5.057) 6.215 1.382 ( 3.496 -5.028 -6.163) 8.688 1.519 ( -0.148 4.165 6.632) 7.833 1.557 ( -0.613 -0.293 1.765) 1.892 1.595 ( -0.025 0.498 -2.168) 2.225 1.616 ( -2.421 -0.733 -1.495) 2.939 1.686 ( -0.338 1.763 -2.179) 2.823 1.740 ( 1.174 -1.457 0.247) 1.888 1.814 ( -1.946 3.595 -1.100) 4.233 1.846 ( -1.813 0.290 -0.842) 2.020 2.015 ( 0.551 3.130 0.277) 3.191 2.057 ( -2.062 1.062 -0.231) 2.331 2.070 ( -0.395 -0.139 -1.042) 1.123 2.132 ( -1.841 -6.173 1.711) 6.665 2.260 ( -3.507 0.078 -1.538) 3.830 2.277 ( -2.012 -1.652 -2.862) 3.869 2.402 ( -1.337 1.406 1.801) 2.647 2.445 ( -0.749 -2.548 2.270) 3.494 2.578 ( -0.095 3.387 0.976) 3.527 2.654 ( 0.350 -4.043 -1.376) 4.285 2.732 ( 1.573 2.896 0.174) 3.300 2.789 ( 0.834 -2.729 -0.349) 2.875 2.862 ( -1.832 0.934 -0.450) 2.105 2.871 ( -0.038 -0.262 0.280) 0.386 3.014 ( -1.103 0.379 0.482) 1.262 3.037 ( -0.620 -2.159 1.164) 2.530 3.205 ( -1.080 2.658 2.413) 3.748 3.245 ( -0.333 -1.129 0.926) 1.498 3.644 ( -2.301 2.105 0.775) 3.214 3.673 ( -2.904 -0.746 0.685) 3.076 4.393 ( 3.010 22.949 -0.299) 23.148 4.697 ( -0.427 1.118 0.283) 1.230 4.719 ( 0.457 -1.026 0.462) 1.214 4.814 ( 5.898 -18.621 -0.940) 19.555 5.440 ( 0.217 2.105 -0.285) 2.135 5.473 ( 0.768 -1.270 -0.258) 1.506 5.530 ( 0.370 3.887 -0.364) 3.921 5.617 ( 0.736 -4.731 -0.781) 4.851 5.897 ( 0.549 3.600 -1.009) 3.778 5.922 ( -4.166 1.735 -2.238) 5.038 6.083 ( -6.507 -4.416 2.658) 8.301 6.087 ( -8.546 -4.794 -0.961) 9.846 6.938 ( 1.964 9.755 0.677) 9.974 7.090 ( -0.401 -4.055 -1.614) 4.383 7.246 ( -3.895 6.140 -9.851) 12.244 7.347 ( -3.275 -3.319 -6.174) 7.737 7.398 ( 2.128 2.549 3.246) 4.643 7.452 ( 0.660 -1.565 3.897) 4.251 7.704 ( -2.303 15.102 -2.024) 15.410 8.071 ( 1.311 -19.272 0.331) 19.320 8.562 ( 3.109 2.279 4.304) 5.778 8.613 ( 0.492 -2.862 3.341) 4.426 9.160 ( 0.565 0.655 -0.432) 0.967 9.179 ( 0.433 -1.194 -0.327) 1.311 ======================= Grid point 104 (59/78) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 4.355 4.633 3.499) 7.257 1.028 ( 3.855 -3.321 2.972) 5.892 1.059 ( 3.021 2.176 3.050) 4.813 1.127 ( 3.253 -5.576 2.989) 7.114 1.293 ( 0.988 4.575 -2.065) 5.116 1.353 ( 2.417 2.168 0.126) 3.249 1.367 ( 2.067 0.765 -4.038) 4.600 1.431 ( 1.402 -4.657 -6.069) 7.777 1.513 ( -1.609 3.821 4.104) 5.834 1.549 ( -2.138 -1.196 2.520) 3.514 1.560 ( 0.131 0.905 -1.082) 1.417 1.593 ( -0.360 -2.869 -3.213) 4.323 1.692 ( 1.313 1.242 1.121) 2.126 1.744 ( -0.913 -2.665 0.616) 2.883 1.803 ( 1.716 1.846 -0.826) 2.652 1.816 ( -0.517 0.911 -1.197) 1.591 1.995 ( -3.077 0.805 0.536) 3.226 2.014 ( -2.732 -0.010 -1.130) 2.956 2.064 ( 1.172 2.274 -1.520) 2.976 2.128 ( 0.565 -3.570 -1.662) 3.978 2.203 ( -1.552 1.664 -1.926) 2.981 2.250 ( -0.462 -2.550 -3.593) 4.430 2.381 ( -0.962 2.054 1.356) 2.642 2.436 ( -0.349 -3.132 1.733) 3.596 2.582 ( 0.209 3.475 -0.124) 3.484 2.645 ( -1.006 -2.603 -2.659) 3.855 2.750 ( 0.445 0.940 1.034) 1.466 2.777 ( -0.907 -2.019 1.533) 2.693 2.855 ( 1.057 4.388 -0.565) 4.549 2.913 ( 2.657 -1.002 0.064) 2.840 2.994 ( -0.617 -0.605 0.107) 0.871 3.030 ( -0.269 -3.743 0.448) 3.779 3.183 ( -1.189 2.232 2.886) 3.837 3.226 ( -1.519 -1.930 1.885) 3.097 3.648 ( 2.627 2.108 -4.276) 5.443 3.672 ( 2.772 -0.301 -4.708) 5.472 4.450 ( 2.907 25.641 -1.067) 25.827 4.686 ( -0.624 2.117 0.237) 2.219 4.728 ( 0.447 -1.900 0.536) 2.024 4.890 ( 2.150 -17.038 -1.957) 17.285 5.435 ( -0.656 2.720 -0.258) 2.810 5.480 ( -0.055 -1.657 0.052) 1.659 5.542 ( 0.746 4.413 0.275) 4.484 5.638 ( 1.527 -5.021 0.047) 5.249 5.790 ( -6.926 3.403 -0.074) 7.717 5.887 ( -3.038 -2.803 -2.471) 4.816 5.972 ( -1.733 -3.269 1.949) 4.182 6.046 ( 0.704 -6.226 2.092) 6.606 6.907 ( -7.466 7.336 -11.964) 15.896 7.035 ( -10.905 0.940 -8.498) 13.857 7.076 ( 0.186 3.735 1.971) 4.228 7.225 ( -4.293 -4.352 0.459) 6.130 7.516 ( 4.875 1.236 2.465) 5.601 7.536 ( 4.519 -0.962 3.561) 5.834 7.688 ( 0.235 18.475 -1.684) 18.554 8.092 ( 0.843 -20.537 0.226) 20.555 8.628 ( 2.269 0.043 6.228) 6.629 8.630 ( 1.635 -0.135 5.964) 6.185 9.169 ( 0.334 0.511 -0.377) 0.717 9.184 ( 0.177 -1.046 -0.039) 1.061 ======================= Grid point 105 (60/78) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.380 3.608 3.720) 5.196 1.065 ( -0.599 -3.237 3.422) 4.748 1.096 ( 0.202 3.235 2.461) 4.070 1.162 ( -0.033 -2.079 1.125) 2.364 1.279 ( -1.160 3.071 -1.488) 3.604 1.352 ( -2.325 3.727 -1.252) 4.568 1.376 ( -1.828 -2.851 0.851) 3.492 1.414 ( -2.049 -2.411 -2.756) 4.196 1.474 ( -1.539 5.827 1.496) 6.210 1.522 ( -0.809 -2.760 -0.176) 2.882 1.568 ( -0.234 -2.928 -3.172) 4.323 1.589 ( 0.648 -1.772 1.895) 2.674 1.732 ( 0.919 -0.111 0.869) 1.269 1.746 ( 2.423 -1.795 1.253) 3.265 1.834 ( 1.834 1.779 -1.344) 2.887 1.855 ( 2.749 -0.497 -0.815) 2.910 1.952 ( -1.098 0.241 -0.226) 1.147 1.955 ( -1.837 0.113 -1.133) 2.161 2.085 ( 0.970 3.063 -3.723) 4.918 2.130 ( 0.084 -0.281 -1.752) 1.776 2.199 ( 0.856 0.755 -3.008) 3.218 2.249 ( 0.612 -2.873 -3.320) 4.433 2.372 ( -0.051 2.814 0.851) 2.940 2.439 ( 0.568 -3.648 1.193) 3.880 2.578 ( -0.494 2.568 -2.278) 3.468 2.623 ( -0.819 -1.465 -2.563) 3.064 2.748 ( -0.723 0.802 1.771) 2.074 2.777 ( 0.395 -2.026 2.693) 3.393 2.880 ( 1.246 5.582 -0.723) 5.764 2.927 ( -0.731 2.237 0.024) 2.353 3.001 ( 0.487 -4.161 -0.357) 4.205 3.022 ( -0.756 -4.532 0.499) 4.621 3.183 ( 1.113 1.077 1.880) 2.436 3.214 ( 0.721 -1.974 1.656) 2.676 3.724 ( 5.658 2.700 -7.611) 9.860 3.758 ( 6.537 -0.828 -8.471) 10.732 4.488 ( 0.723 25.909 -2.147) 26.008 4.678 ( -0.226 2.814 0.314) 2.840 4.735 ( 0.088 -2.372 0.455) 2.417 4.907 ( 0.451 -14.476 -2.507) 14.698 5.419 ( -0.757 3.102 -0.019) 3.193 5.471 ( -0.929 -1.673 0.175) 1.922 5.553 ( 0.247 5.195 0.661) 5.242 5.656 ( -0.976 -3.560 1.483) 3.978 5.722 ( 0.857 0.382 0.594) 1.110 5.812 ( -2.492 -8.702 -2.057) 9.283 5.999 ( 2.734 1.358 2.143) 3.729 6.082 ( 2.534 -6.526 2.480) 7.427 6.701 ( -9.539 7.484 -9.817) 15.601 6.834 ( -8.672 -4.993 -8.519) 13.142 7.102 ( 1.248 5.414 4.058) 6.880 7.186 ( -0.916 -1.948 2.254) 3.117 7.574 ( 0.816 1.927 1.947) 2.858 7.591 ( 0.448 -0.221 2.598) 2.645 7.691 ( 0.228 18.750 -1.392) 18.803 8.106 ( 0.673 -20.970 -0.005) 20.980 8.657 ( 1.417 1.739 5.399) 5.846 8.692 ( 2.521 -1.714 5.752) 6.510 9.171 ( -0.028 0.399 -0.391) 0.560 9.185 ( -0.172 -0.924 0.182) 0.957 ======================= Grid point 106 (61/78) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -4.418 3.596 5.359) 7.821 1.021 ( -4.087 -2.317 2.539) 5.340 1.054 ( -4.243 4.943 4.343) 7.829 1.143 ( -2.122 -1.083 1.850) 3.016 1.247 ( -3.070 0.114 -1.012) 3.235 1.282 ( -4.575 -0.229 -2.740) 5.338 1.310 ( -3.146 2.689 2.659) 4.919 1.367 ( -2.213 -4.160 -2.299) 5.242 1.473 ( 0.459 5.065 1.361) 5.265 1.507 ( -0.521 -1.997 -0.068) 2.065 1.572 ( 0.794 -3.213 -2.054) 3.895 1.597 ( -0.133 -2.808 1.343) 3.115 1.748 ( 0.726 1.698 0.587) 1.937 1.783 ( 0.572 -1.515 0.526) 1.702 1.841 ( -1.053 1.709 -3.188) 3.768 1.864 ( -0.385 -0.632 -1.829) 1.974 1.977 ( 3.286 0.375 -0.090) 3.309 1.990 ( 4.368 -1.082 1.294) 4.683 2.096 ( 0.825 3.474 -3.502) 5.001 2.132 ( 0.247 0.814 -0.246) 0.885 2.211 ( 0.655 0.356 -3.708) 3.782 2.261 ( 0.881 -3.460 -2.155) 4.171 2.382 ( 0.908 3.205 0.839) 3.436 2.458 ( 0.855 -4.083 1.791) 4.540 2.565 ( -0.191 2.216 -2.559) 3.391 2.608 ( -0.385 -1.434 -1.971) 2.467 2.735 ( -0.812 1.666 2.158) 2.844 2.783 ( -0.193 -2.759 2.004) 3.415 2.881 ( -1.030 3.753 -0.232) 3.898 2.929 ( 1.012 1.035 -0.177) 1.458 3.001 ( -0.100 -3.312 0.527) 3.356 3.011 ( 0.166 -2.373 -1.034) 2.594 3.218 ( 2.003 1.154 0.309) 2.332 3.250 ( 2.029 -2.051 0.491) 2.926 3.837 ( 6.835 3.419 -8.829) 11.677 3.889 ( 7.777 -1.892 -9.959) 12.777 4.461 ( -3.211 25.752 -1.828) 26.016 4.678 ( 0.198 2.813 0.392) 2.847 4.732 ( -0.418 -2.386 0.438) 2.462 4.903 ( -1.283 -16.964 -2.912) 17.260 5.412 ( -0.038 1.850 0.111) 1.853 5.445 ( -1.687 -1.334 0.720) 2.268 5.552 ( -0.247 4.999 -0.224) 5.010 5.632 ( -1.061 -3.147 0.778) 3.411 5.767 ( 3.001 0.574 0.294) 3.070 5.829 ( 4.026 -5.625 -0.190) 6.920 6.053 ( 2.716 3.125 -0.546) 4.176 6.144 ( 3.600 -7.299 0.599) 8.161 6.580 ( -1.601 6.579 -0.955) 6.838 6.715 ( -2.570 -6.654 -0.942) 7.195 7.123 ( 0.622 5.024 3.658) 6.245 7.176 ( -0.451 0.274 1.052) 1.177 7.552 ( -4.389 0.892 1.508) 4.726 7.554 ( -2.952 0.996 1.510) 3.462 7.701 ( 1.079 18.682 -1.380) 18.764 8.117 ( 0.441 -20.977 -0.489) 20.987 8.690 ( 1.202 2.059 3.157) 3.956 8.730 ( 0.783 -1.973 2.766) 3.486 9.166 ( -0.406 0.298 -0.410) 0.649 9.178 ( -0.535 -0.836 0.341) 1.049 ======================= Grid point 107 (62/78) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -6.578 4.912 7.112) 10.862 0.909 ( -7.221 3.516 2.798) 8.505 0.991 ( -2.948 -0.723 6.675) 7.333 1.084 ( -3.858 -4.185 3.369) 6.614 1.153 ( -4.984 3.030 -2.030) 6.176 1.202 ( -3.089 -1.170 -1.588) 3.665 1.274 ( -2.122 1.401 -1.299) 2.855 1.327 ( -1.472 -4.191 -3.715) 5.791 1.475 ( -0.445 4.573 3.900) 6.026 1.512 ( 1.066 -0.860 -1.081) 1.744 1.588 ( 0.865 -3.594 -0.660) 3.755 1.594 ( 0.198 -1.814 1.045) 2.103 1.744 ( -1.793 1.703 0.643) 2.555 1.778 ( -0.936 -0.713 1.363) 1.800 1.830 ( 0.417 1.310 -3.339) 3.611 1.853 ( 0.052 -0.660 -1.670) 1.796 2.039 ( 2.538 2.201 -1.399) 3.639 2.066 ( 2.420 -0.430 -0.123) 2.461 2.117 ( 1.654 2.810 -1.813) 3.731 2.145 ( 1.480 0.366 1.223) 1.955 2.222 ( 1.225 -0.327 -2.988) 3.246 2.279 ( 1.193 -4.605 -0.639) 4.800 2.403 ( 0.986 2.416 1.525) 3.023 2.464 ( -0.376 -3.298 2.352) 4.068 2.575 ( 1.265 1.278 -1.592) 2.401 2.607 ( 0.560 -0.777 -1.348) 1.654 2.721 ( -0.972 1.530 1.669) 2.464 2.768 ( -1.774 -2.638 1.227) 3.408 2.878 ( 1.223 3.243 0.167) 3.470 2.942 ( 0.492 -2.596 -0.432) 2.677 3.002 ( 0.072 0.750 0.053) 0.755 3.032 ( 1.716 -2.164 -1.057) 2.957 3.248 ( 0.882 1.130 -0.472) 1.509 3.272 ( 0.070 -1.261 -0.412) 1.329 3.955 ( 6.062 3.732 -7.357) 10.238 4.017 ( 6.085 -2.712 -8.306) 10.647 4.376 ( -4.938 23.487 0.487) 24.006 4.684 ( 0.299 1.999 0.580) 2.103 4.721 ( -0.640 -1.825 0.450) 1.985 4.817 ( -7.812 -19.885 -1.251) 21.401 5.409 ( -0.329 0.820 -0.313) 0.938 5.420 ( -0.698 -0.286 0.585) 0.954 5.549 ( 0.026 3.631 -1.530) 3.940 5.618 ( -0.473 -3.567 -0.696) 3.664 5.841 ( 3.798 3.168 0.983) 5.042 5.896 ( 1.975 -1.879 -0.884) 2.866 6.147 ( 8.264 2.327 -2.702) 9.001 6.215 ( 4.530 -4.795 -3.065) 7.273 6.636 ( 6.038 3.582 5.643) 9.008 6.727 ( 2.254 -5.243 6.986) 9.021 7.155 ( 3.043 3.839 3.716) 6.149 7.166 ( -0.995 2.739 0.862) 3.039 7.444 ( -6.285 2.038 0.863) 6.663 7.487 ( -3.218 -1.558 1.021) 3.718 7.730 ( 2.173 18.021 -2.027) 18.265 8.117 ( -0.484 -19.237 -1.233) 19.283 8.698 ( -0.883 0.872 0.082) 1.244 8.721 ( -1.838 -1.319 -0.929) 2.445 9.156 ( -0.554 0.216 -0.401) 0.717 9.167 ( -0.619 -0.811 0.384) 1.090 ======================= Grid point 108 (63/78) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -5.203 6.856 7.409) 11.356 0.790 ( -4.775 4.847 5.535) 8.770 0.949 ( -2.162 -4.417 5.234) 7.182 1.016 ( -3.326 -7.529 3.195) 8.829 1.090 ( -1.253 5.226 -0.226) 5.379 1.163 ( -0.791 -1.635 -2.021) 2.717 1.217 ( -2.535 2.835 -4.872) 6.180 1.307 ( -0.156 -5.476 -4.382) 7.015 1.476 ( 0.183 5.092 5.004) 7.141 1.537 ( 1.403 -1.001 -0.054) 1.724 1.597 ( 0.417 -0.276 0.928) 1.054 1.617 ( 1.466 -2.853 -1.422) 3.508 1.695 ( -2.613 1.001 0.238) 2.809 1.740 ( -2.527 -1.898 1.210) 3.384 1.845 ( 1.116 2.275 -1.492) 2.941 1.869 ( 1.153 -0.226 -0.527) 1.288 2.059 ( -0.057 2.906 -2.689) 3.960 2.081 ( 0.048 2.640 -0.898) 2.789 2.135 ( 0.086 1.824 -2.123) 2.800 2.182 ( 1.367 -1.946 0.534) 2.437 2.266 ( 3.333 -1.431 0.100) 3.629 2.309 ( 1.913 -4.963 -0.328) 5.329 2.420 ( 0.638 1.831 2.287) 2.998 2.461 ( 0.005 -2.024 2.453) 3.180 2.598 ( 1.191 1.324 -0.610) 1.883 2.626 ( 1.349 -0.511 -1.393) 2.005 2.701 ( -1.176 0.714 0.973) 1.685 2.725 ( -2.335 -1.368 0.102) 2.708 2.909 ( 1.194 2.428 -0.731) 2.803 2.953 ( 0.585 -1.862 -1.540) 2.486 3.005 ( 0.436 1.888 1.716) 2.588 3.062 ( 1.430 -3.400 0.235) 3.696 3.248 ( -0.998 0.807 -0.147) 1.292 3.257 ( -0.983 -0.296 -1.055) 1.472 4.034 ( 1.450 2.738 -2.454) 3.952 4.053 ( -2.802 3.145 -2.299) 4.799 4.321 ( 0.341 11.260 1.429) 11.356 4.621 ( -10.772 -15.879 1.418) 19.241 4.690 ( 0.130 1.007 0.720) 1.244 4.712 ( -0.262 -1.092 0.434) 1.204 5.410 ( 0.593 0.878 -0.909) 1.396 5.414 ( -0.037 0.413 -0.260) 0.489 5.545 ( -0.305 2.783 -1.776) 3.315 5.611 ( -0.119 -3.796 -1.505) 4.085 5.880 ( 0.430 3.205 -0.351) 3.252 5.928 ( 1.656 -1.421 -0.489) 2.237 6.276 ( 4.623 5.076 -1.461) 7.020 6.373 ( 10.131 -3.825 -2.094) 11.030 6.761 ( 3.954 0.420 2.353) 4.620 6.778 ( 4.192 -1.225 6.399) 7.748 7.109 ( -4.825 6.537 -0.367) 8.133 7.237 ( 1.042 -6.205 2.841) 6.903 7.366 ( 1.117 8.109 3.156) 8.773 7.494 ( 4.722 -3.932 2.973) 6.826 7.788 ( 4.380 14.418 -2.706) 15.309 8.087 ( -2.793 -14.368 -1.966) 14.769 8.640 ( -4.753 0.877 -3.870) 6.192 8.674 ( -2.610 -2.885 -2.356) 4.548 9.146 ( -0.437 0.287 -0.316) 0.611 9.158 ( -0.272 -0.848 -0.027) 0.891 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -0.000 0.000 0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 1.025 ( 0.000 0.000 0.000) 0.000 1.028 ( 0.000 0.000 0.000) 0.000 1.185 ( 0.000 0.000 0.000) 0.000 1.198 ( -0.000 0.000 0.000) 0.000 1.248 ( -0.000 0.000 -0.000) 0.000 1.291 ( -0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.524 ( -0.000 0.000 -0.000) 0.000 1.543 ( -0.000 0.000 0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.717 ( -0.000 0.000 0.000) 0.000 1.784 ( -0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 -0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.271 ( -0.000 0.000 0.000) 0.000 2.373 ( -0.000 0.000 0.000) 0.000 2.399 ( -0.000 0.000 0.000) 0.000 2.432 ( -0.000 0.000 0.000) 0.000 2.510 ( -0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.680 0.000 -0.733) 1.000 2.716 ( -0.680 0.000 0.733) 1.000 2.813 ( 0.000 0.000 0.000) 0.000 2.874 ( -0.000 0.000 0.000) 0.000 3.142 ( -0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.182 ( -0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.754 ( -0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.439 ( -0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.735 ( -0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 5.359 ( -0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.783 ( -0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 -0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.315 ( -0.000 0.000 0.000) 0.000 6.743 ( -0.000 0.000 0.000) 0.000 6.856 ( -0.000 0.000 0.000) 0.000 6.993 ( -0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.774 ( -0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 8.146 ( -0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.857 ( -0.000 0.000 0.000) 0.000 9.124 ( -0.000 0.000 0.000) 0.000 9.179 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 10.171 0.000 0.526) 10.184 0.816 ( 2.736 0.000 -4.160) 4.979 0.958 ( -3.265 0.000 -5.644) 6.521 1.036 ( 0.627 0.000 -0.469) 0.783 1.116 ( -3.018 0.000 -6.292) 6.979 1.281 ( 4.547 0.000 -0.965) 4.649 1.336 ( 4.881 0.000 1.902) 5.238 1.337 ( 5.180 0.000 7.422) 9.051 1.488 ( -0.168 0.000 -1.509) 1.518 1.497 ( -3.511 0.000 -0.711) 3.583 1.569 ( 2.773 0.000 4.285) 5.104 1.610 ( 2.275 0.000 1.186) 2.566 1.670 ( -0.431 0.000 -0.089) 0.440 1.710 ( -0.622 0.000 2.562) 2.636 1.773 ( -1.089 0.000 -1.586) 1.924 1.815 ( -1.478 0.000 -0.797) 1.679 1.921 ( -1.231 0.000 -0.172) 1.243 2.023 ( 2.565 0.000 -0.772) 2.679 2.110 ( -1.445 0.000 -0.060) 1.446 2.249 ( -1.777 0.000 -1.348) 2.230 2.326 ( -5.690 0.000 -0.337) 5.700 2.355 ( -1.939 0.000 -0.532) 2.011 2.444 ( 0.752 0.000 0.916) 1.185 2.539 ( 1.203 0.000 -0.208) 1.221 2.633 ( -1.057 0.000 -0.547) 1.190 2.704 ( -0.431 0.000 0.207) 0.478 2.720 ( -0.132 0.000 -0.770) 0.781 2.736 ( 5.488 0.000 0.726) 5.535 2.827 ( 1.216 0.000 0.877) 1.500 2.840 ( -3.375 0.000 -1.143) 3.563 3.109 ( -3.110 0.000 -0.122) 3.113 3.151 ( -0.246 0.000 -2.124) 2.139 3.188 ( 0.323 0.000 2.238) 2.261 3.204 ( 1.836 0.000 3.046) 3.557 3.725 ( -3.253 0.000 3.068) 4.471 3.917 ( -2.875 0.000 1.768) 3.375 4.143 ( -19.744 0.000 11.069) 22.635 4.682 ( -0.392 0.000 -0.606) 0.722 4.733 ( 0.525 0.000 0.227) 0.572 5.011 ( 13.129 0.000 -0.011) 13.129 5.346 ( -0.861 0.000 -0.977) 1.302 5.410 ( 1.532 0.000 -1.022) 1.842 5.501 ( -0.493 0.000 -0.456) 0.671 5.726 ( 0.487 0.000 -0.138) 0.506 5.787 ( 0.399 0.000 0.297) 0.497 5.998 ( -7.185 0.000 1.279) 7.298 6.077 ( 7.084 0.000 -4.703) 8.503 6.321 ( 0.587 0.000 2.558) 2.625 6.714 ( -2.637 0.000 2.950) 3.956 6.820 ( -3.992 0.000 -0.770) 4.066 7.039 ( 4.194 0.000 -9.469) 10.356 7.175 ( 1.856 0.000 -2.911) 3.452 7.455 ( 0.347 0.000 1.573) 1.611 7.532 ( -15.725 0.000 -4.441) 16.340 7.701 ( -5.629 0.000 -4.027) 6.921 8.323 ( 11.151 0.000 -0.098) 11.151 8.500 ( 6.913 0.000 6.244) 9.316 8.827 ( -2.945 0.000 0.929) 3.088 9.128 ( 0.421 0.000 0.067) 0.426 9.189 ( 0.888 0.000 -0.471) 1.005 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 4.705 0.000 -5.379) 7.146 0.904 ( 3.361 0.000 3.893) 5.143 0.985 ( 9.999 0.000 -8.567) 13.167 1.043 ( 0.456 0.000 -1.208) 1.291 1.090 ( 0.593 0.000 -3.918) 3.963 1.324 ( -0.338 0.000 -0.503) 0.606 1.422 ( 2.193 0.000 -0.695) 2.301 1.434 ( 3.976 0.000 6.013) 7.208 1.450 ( 0.218 0.000 -1.651) 1.665 1.509 ( 2.384 0.000 -1.145) 2.645 1.626 ( 2.301 0.000 5.247) 5.730 1.640 ( 0.104 0.000 0.885) 0.891 1.662 ( 0.036 0.000 -0.081) 0.089 1.718 ( 1.535 0.000 4.324) 4.588 1.746 ( -1.217 0.000 -0.832) 1.474 1.786 ( -1.135 0.000 -0.636) 1.301 1.920 ( 1.365 0.000 0.185) 1.378 2.060 ( 1.266 0.000 -1.293) 1.809 2.068 ( -2.853 0.000 -0.237) 2.863 2.201 ( -7.174 0.000 -0.901) 7.231 2.210 ( -2.136 0.000 -1.051) 2.381 2.301 ( -3.544 0.000 -0.483) 3.577 2.448 ( -0.588 0.000 0.589) 0.832 2.547 ( -0.084 0.000 0.168) 0.188 2.604 ( -1.859 0.000 -0.385) 1.898 2.691 ( -0.982 0.000 -2.160) 2.372 2.725 ( 0.966 0.000 1.746) 1.995 2.752 ( -5.206 0.000 -1.626) 5.454 2.850 ( 0.794 0.000 1.374) 1.587 2.865 ( 7.177 0.000 1.121) 7.264 3.028 ( -5.030 0.000 -0.092) 5.031 3.144 ( -0.223 0.000 -2.360) 2.371 3.198 ( 0.409 0.000 2.084) 2.123 3.257 ( 3.193 0.000 3.767) 4.938 3.643 ( -5.258 0.000 5.272) 7.445 3.841 ( -12.398 0.000 12.230) 17.415 3.864 ( -2.570 0.000 0.962) 2.744 4.657 ( -1.870 0.000 -1.070) 2.154 4.757 ( 1.654 0.000 0.518) 1.733 5.160 ( 2.142 0.000 1.985) 2.920 5.330 ( -0.636 0.000 -1.346) 1.489 5.436 ( 1.187 0.000 -1.188) 1.679 5.488 ( -0.588 0.000 -1.521) 1.631 5.741 ( 1.089 0.000 -0.195) 1.107 5.797 ( 0.520 0.000 0.370) 0.638 5.857 ( -5.922 0.000 -0.755) 5.970 6.196 ( 2.644 0.000 -6.910) 7.399 6.348 ( 1.809 0.000 4.712) 5.047 6.658 ( -3.441 0.000 0.090) 3.442 6.719 ( -4.310 0.000 2.256) 4.865 7.085 ( 1.104 0.000 -11.442) 11.496 7.112 ( -7.567 0.000 -8.516) 11.392 7.372 ( 0.683 0.000 -0.554) 0.880 7.490 ( 2.221 0.000 1.758) 2.833 7.616 ( -1.859 0.000 -2.051) 2.768 8.493 ( 6.512 0.000 -0.196) 6.515 8.647 ( 6.855 0.000 6.351) 9.345 8.757 ( -4.111 0.000 1.500) 4.376 9.139 ( 0.594 0.000 -0.072) 0.598 9.205 ( 0.718 0.000 -0.342) 0.795 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 3.225 0.000 -2.780) 4.258 0.970 ( 3.855 0.000 -1.631) 4.186 1.069 ( 2.324 0.000 -1.852) 2.972 1.104 ( 0.906 0.000 -1.535) 1.783 1.150 ( 4.862 0.000 1.063) 4.977 1.316 ( 1.884 0.000 -1.739) 2.564 1.406 ( -2.905 0.000 -2.786) 4.025 1.483 ( 1.862 0.000 -1.101) 2.163 1.499 ( 2.251 0.000 2.989) 3.742 1.552 ( 1.367 0.000 -1.179) 1.806 1.631 ( -0.541 0.000 1.088) 1.216 1.661 ( 1.591 0.000 2.525) 2.984 1.694 ( 2.428 0.000 1.589) 2.902 1.732 ( -0.102 0.000 -0.800) 0.807 1.760 ( 1.742 0.000 3.645) 4.040 1.781 ( 1.258 0.000 0.894) 1.543 1.965 ( 2.647 0.000 0.194) 2.654 2.008 ( -2.981 0.000 -0.210) 2.989 2.051 ( -8.082 0.000 -1.690) 8.257 2.071 ( 0.066 0.000 -0.764) 0.767 2.158 ( -3.226 0.000 -0.078) 3.227 2.229 ( -3.469 0.000 0.009) 3.469 2.428 ( -1.211 0.000 -0.072) 1.213 2.547 ( 0.203 0.000 1.065) 1.084 2.564 ( -2.017 0.000 -0.214) 2.029 2.656 ( -4.177 0.000 -1.928) 4.600 2.676 ( -0.125 0.000 -1.377) 1.383 2.754 ( 1.441 0.000 1.752) 2.268 2.859 ( 0.249 0.000 1.405) 1.427 2.937 ( -3.921 0.000 -0.833) 4.009 2.996 ( 6.002 0.000 1.309) 6.143 3.133 ( -0.986 0.000 -1.927) 2.165 3.207 ( 0.237 0.000 1.010) 1.037 3.327 ( 3.373 0.000 2.476) 4.184 3.559 ( -3.605 0.000 3.773) 5.219 3.688 ( -5.254 0.000 8.058) 9.619 3.824 ( -1.613 0.000 0.296) 1.640 4.620 ( -1.601 0.000 -0.741) 1.764 4.787 ( 1.219 0.000 0.362) 1.272 5.133 ( -3.478 0.000 0.527) 3.517 5.319 ( -0.350 0.000 -0.923) 0.987 5.451 ( 0.521 0.000 -0.721) 0.889 5.481 ( -0.049 0.000 -1.126) 1.127 5.743 ( -1.182 0.000 -1.563) 1.959 5.806 ( 0.338 0.000 0.230) 0.409 5.823 ( 2.599 0.000 4.537) 5.228 6.107 ( -8.573 0.000 -10.819) 13.804 6.403 ( 3.307 0.000 6.218) 7.043 6.580 ( -4.371 0.000 -4.203) 6.064 6.736 ( 4.370 0.000 6.649) 7.957 6.966 ( -6.218 0.000 -8.449) 10.491 7.065 ( -1.256 0.000 -6.568) 6.687 7.423 ( 3.055 0.000 0.366) 3.076 7.536 ( 1.923 0.000 1.039) 2.186 7.619 ( 1.370 0.000 -0.698) 1.538 8.576 ( 2.201 0.000 0.311) 2.223 8.691 ( -2.462 0.000 0.882) 2.615 8.759 ( 3.895 0.000 3.672) 5.353 9.148 ( 0.366 0.000 -0.096) 0.379 9.215 ( 0.410 0.000 -0.156) 0.438 ======================= Grid point 130 (68/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.095 ( -0.000 0.000 0.000) 0.000 1.117 ( -0.000 0.000 0.000) 0.000 1.187 ( -0.000 0.000 0.000) 0.000 1.353 ( -0.000 0.000 -0.000) 0.000 1.364 ( -0.000 0.000 0.000) 0.000 1.499 ( -0.000 0.000 0.000) 0.000 1.526 ( -0.000 0.000 0.000) 0.000 1.558 ( -0.000 0.000 0.000) 0.000 1.627 ( -0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.718 ( -0.000 0.000 0.000) 0.000 1.732 ( -0.000 0.000 0.000) 0.000 1.782 ( -0.000 0.000 0.000) 0.000 1.841 ( -0.000 0.000 0.000) 0.000 1.924 ( -0.000 0.000 0.000) 0.000 1.977 ( -0.000 0.000 0.000) 0.000 2.000 ( -0.000 0.000 0.000) 0.000 2.064 ( -0.000 0.000 0.000) 0.000 2.117 ( -0.000 0.000 0.000) 0.000 2.191 ( -0.000 0.000 0.000) 0.000 2.414 ( -0.000 0.000 0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.555 ( -0.000 0.000 -0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.677 ( -0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.873 ( -0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.094 ( -0.000 0.000 -0.000) 0.000 3.210 ( 0.000 0.000 -0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.525 ( -0.000 0.000 0.000) 0.000 3.643 ( -0.000 0.000 0.000) 0.000 3.807 ( -0.000 0.000 0.000) 0.000 4.603 ( -0.000 0.000 0.000) 0.000 4.800 ( -0.000 0.000 0.000) 0.000 5.089 ( -0.000 0.000 0.000) 0.000 5.315 ( -0.000 0.000 0.000) 0.000 5.456 ( -0.000 0.000 0.000) 0.000 5.480 ( -0.000 0.000 0.000) 0.000 5.728 ( -0.000 0.000 0.000) 0.000 5.810 ( -0.000 0.000 0.000) 0.000 5.907 ( -0.000 0.000 -0.000) 0.000 5.955 ( -0.000 0.000 0.000) 0.000 6.477 ( -0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 -0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.859 ( -0.000 0.000 -0.000) 0.000 7.047 ( -0.000 0.000 0.000) 0.000 7.457 ( -0.000 0.000 0.000) 0.000 7.556 ( -0.000 0.000 0.000) 0.000 7.636 ( -0.000 0.000 0.000) 0.000 8.591 ( -0.000 0.000 0.000) 0.000 8.671 ( -0.000 0.000 0.000) 0.000 8.799 ( -0.000 0.000 0.000) 0.000 9.152 ( -0.000 0.000 0.000) 0.000 9.220 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -0.000 4.412 0.000) 4.412 0.845 ( 0.000 4.502 0.000) 4.502 1.025 ( 0.000 -6.385 0.000) 6.385 1.047 ( -0.000 2.161 0.000) 2.161 1.072 ( 0.000 1.406 -0.000) 1.406 1.106 ( -0.000 -5.510 0.000) 5.510 1.217 ( -0.000 -7.412 0.000) 7.412 1.391 ( -0.000 -5.107 0.000) 5.107 1.448 ( 0.000 7.654 0.000) 7.654 1.566 ( 0.000 0.960 0.000) 0.960 1.593 ( -0.000 6.255 -0.000) 6.255 1.602 ( 0.000 0.306 0.000) 0.306 1.663 ( 0.000 -1.127 0.000) 1.127 1.703 ( 0.000 -4.526 0.000) 4.526 1.769 ( -0.000 4.394 0.000) 4.394 1.875 ( 0.000 0.876 0.000) 0.876 1.977 ( -0.000 0.523 -0.000) 0.523 1.990 ( 0.000 4.275 0.000) 4.275 2.128 ( 0.000 -0.216 0.000) 0.216 2.270 ( -0.000 0.269 0.000) 0.269 2.318 ( -0.000 -5.154 0.000) 5.154 2.394 ( -0.000 -0.822 0.000) 0.822 2.450 ( -0.000 1.057 0.000) 1.057 2.515 ( -0.000 0.226 0.000) 0.226 2.629 ( -0.000 -1.090 0.000) 1.090 2.642 ( 0.000 -3.174 0.000) 3.174 2.706 ( -0.000 -0.811 0.000) 0.811 2.714 ( 0.000 -0.785 0.000) 0.785 2.839 ( 0.000 2.782 0.000) 2.782 2.893 ( -0.000 1.499 0.000) 1.499 3.094 ( -0.000 -2.539 0.000) 2.539 3.150 ( -0.000 -2.500 0.000) 2.500 3.195 ( 0.000 1.908 0.000) 1.908 3.207 ( 0.000 1.514 0.000) 1.514 3.837 ( -0.000 7.848 0.000) 7.848 3.973 ( 0.000 2.057 0.000) 2.057 4.379 ( -0.000 -4.449 0.000) 4.449 4.675 ( 0.000 -1.436 0.000) 1.436 4.717 ( -0.000 -4.562 0.000) 4.562 4.729 ( 0.000 -0.515 0.000) 0.515 5.381 ( -0.000 1.887 0.000) 1.887 5.395 ( 0.000 0.481 0.000) 0.481 5.506 ( 0.000 0.096 0.000) 0.096 5.672 ( -0.000 -3.949 0.000) 3.949 5.814 ( -0.000 2.645 0.000) 2.645 6.015 ( 0.000 -4.465 0.000) 4.465 6.127 ( -0.000 10.655 0.000) 10.655 6.408 ( -0.000 5.784 0.000) 5.784 6.768 ( -0.000 2.582 0.000) 2.582 6.898 ( -0.000 4.220 0.000) 4.220 6.974 ( -0.000 -1.920 0.000) 1.920 7.237 ( 0.000 8.960 0.000) 8.960 7.378 ( 0.000 -6.477 0.000) 6.477 7.746 ( -0.000 -2.772 0.000) 2.772 7.783 ( 0.000 0.643 0.000) 0.643 8.118 ( -0.000 -3.299 0.000) 3.299 8.434 ( 0.000 1.655 0.000) 1.655 8.771 ( -0.000 -8.099 0.000) 8.099 9.127 ( -0.000 0.324 0.000) 0.324 9.171 ( -0.000 -0.768 0.000) 0.768 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 8.392 3.185 0.230) 8.979 0.871 ( 3.274 3.979 -6.044) 7.943 0.943 ( -2.518 -0.734 0.187) 2.629 1.059 ( -0.330 1.060 0.845) 1.395 1.103 ( 1.836 -0.093 -4.391) 4.761 1.192 ( 6.099 -5.278 1.380) 8.183 1.234 ( 2.194 -6.274 0.656) 6.679 1.391 ( 0.029 -6.326 -0.580) 6.352 1.466 ( 1.281 6.539 -1.259) 6.781 1.566 ( 0.233 -0.350 -0.595) 0.728 1.581 ( -0.097 4.430 2.974) 5.336 1.641 ( 0.841 0.298 3.302) 3.420 1.672 ( 2.340 1.438 0.604) 2.812 1.702 ( -0.019 -3.596 -1.867) 4.052 1.752 ( -1.567 4.159 0.553) 4.479 1.855 ( -1.845 1.231 -0.091) 2.220 1.959 ( -0.781 3.330 0.194) 3.426 2.015 ( 1.537 0.707 -0.236) 1.708 2.114 ( -1.483 -0.107 0.012) 1.487 2.240 ( -1.982 -0.670 -2.394) 3.180 2.312 ( -2.676 -3.136 0.751) 4.191 2.355 ( -2.393 0.024 0.571) 2.460 2.441 ( -0.745 0.150 -0.190) 0.784 2.522 ( 0.334 -1.358 -0.739) 1.582 2.611 ( -1.105 -1.241 0.812) 1.849 2.657 ( 0.517 -3.622 -1.160) 3.838 2.704 ( -0.026 -0.628 0.411) 0.751 2.749 ( 3.391 -0.474 -0.950) 3.553 2.851 ( 0.444 2.251 -0.265) 2.309 2.875 ( -1.260 2.652 1.699) 3.392 3.070 ( -2.086 -2.522 -1.006) 3.424 3.130 ( -1.612 -2.520 0.170) 2.996 3.209 ( 0.024 1.640 1.166) 2.013 3.220 ( 1.983 1.243 1.381) 2.718 3.800 ( -4.251 6.275 5.633) 9.443 3.943 ( -3.301 1.957 2.958) 4.845 4.156 ( -14.341 3.091 7.261) 16.369 4.687 ( -0.235 0.525 -0.500) 0.762 4.728 ( 0.449 -0.497 0.165) 0.690 4.910 ( 12.327 -9.724 -0.790) 15.720 5.375 ( -0.133 2.301 -0.813) 2.444 5.414 ( 1.617 0.510 -1.084) 2.012 5.502 ( -0.393 0.247 -0.147) 0.487 5.677 ( 0.472 -3.942 -0.151) 3.973 5.819 ( 0.510 2.558 0.139) 2.612 5.975 ( -4.196 -2.009 -0.544) 4.684 6.140 ( 1.133 5.384 -1.776) 5.781 6.335 ( -5.737 0.530 2.740) 6.380 6.754 ( -1.418 3.940 0.222) 4.193 6.921 ( 1.063 8.796 -0.222) 8.862 7.018 ( 3.714 -2.039 -9.435) 10.343 7.252 ( 1.201 7.941 -2.495) 8.410 7.397 ( 1.888 -5.782 1.119) 6.185 7.539 ( -14.917 1.240 -3.157) 15.298 7.692 ( -5.783 -0.626 -3.263) 6.670 8.264 ( 9.092 -6.536 0.603) 11.214 8.514 ( 6.636 1.303 5.475) 8.701 8.754 ( -1.609 -6.579 0.967) 6.841 9.131 ( 0.438 0.347 0.011) 0.559 9.180 ( 0.832 -0.849 -0.357) 1.241 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 3.576 0.494 -0.101) 3.611 0.952 ( 3.073 2.453 -2.400) 4.606 1.011 ( 10.287 3.691 -3.036) 11.343 1.065 ( 1.119 1.332 -1.150) 2.086 1.136 ( 2.256 3.190 -4.388) 5.876 1.271 ( 2.137 -5.618 0.842) 6.069 1.301 ( 3.244 -4.774 1.663) 6.007 1.409 ( 2.769 -5.139 -1.183) 5.956 1.473 ( -0.411 3.169 -2.826) 4.266 1.573 ( 0.754 -0.956 -1.231) 1.731 1.594 ( 0.533 2.394 4.446) 5.078 1.639 ( -0.546 -1.742 1.178) 2.172 1.702 ( 0.754 -1.264 -0.565) 1.577 1.722 ( -1.323 3.470 0.826) 3.805 1.739 ( 2.564 2.162 3.389) 4.768 1.820 ( -1.248 1.774 0.368) 2.200 1.956 ( 0.396 3.002 0.194) 3.034 2.039 ( 0.895 -0.319 -0.182) 0.968 2.071 ( -2.921 0.093 0.050) 2.923 2.197 ( -2.903 -0.812 -2.503) 3.918 2.220 ( -5.200 0.051 -0.975) 5.291 2.306 ( -3.481 -0.614 1.800) 3.966 2.421 ( -1.288 -1.448 -0.477) 1.996 2.528 ( 0.603 -1.249 -0.528) 1.484 2.586 ( -1.850 -1.814 1.838) 3.177 2.652 ( -0.697 -3.153 -2.966) 4.384 2.714 ( 0.955 0.176 0.744) 1.223 2.806 ( -2.859 3.263 -0.425) 4.359 2.814 ( 2.224 -1.421 -0.424) 2.673 2.902 ( 2.458 1.192 2.351) 3.604 3.020 ( -2.736 -0.432 -0.160) 2.774 3.107 ( -0.507 -3.456 -1.042) 3.645 3.208 ( -0.221 1.087 1.281) 1.694 3.262 ( 1.923 0.180 2.126) 2.872 3.703 ( -5.882 4.269 7.410) 10.380 3.822 ( -9.104 -0.844 10.894) 14.222 4.003 ( -2.324 14.028 0.344) 14.224 4.668 ( -1.441 1.102 -0.867) 2.011 4.748 ( 1.357 -0.902 0.415) 1.681 5.069 ( 3.773 -8.995 0.917) 9.797 5.373 ( -0.193 3.108 -0.710) 3.194 5.448 ( 1.855 0.949 -1.391) 2.506 5.490 ( -0.688 0.497 -0.854) 1.204 5.691 ( 1.054 -3.902 -0.205) 4.047 5.828 ( -0.464 2.050 -0.627) 2.193 5.873 ( -4.407 1.442 -0.245) 4.644 6.146 ( -1.500 -3.978 -2.962) 5.181 6.257 ( -1.633 -6.467 3.735) 7.645 6.700 ( -4.779 4.338 -5.299) 8.351 6.908 ( -2.008 14.549 2.958) 14.982 7.045 ( -0.142 -3.929 -10.884) 11.572 7.184 ( -6.965 6.302 -7.837) 12.233 7.399 ( 2.151 2.854 0.097) 3.575 7.469 ( 3.829 -0.944 1.760) 4.318 7.605 ( -2.000 -1.038 -1.140) 2.525 8.398 ( 4.690 -10.455 0.659) 11.478 8.650 ( 6.151 0.285 5.505) 8.260 8.720 ( -1.824 -2.803 1.535) 3.679 9.142 ( 0.585 0.355 -0.078) 0.689 9.195 ( 0.700 -0.930 -0.308) 1.204 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 5.062 0.200 0.969) 5.158 1.006 ( 2.297 3.532 -2.181) 4.744 1.093 ( 1.140 2.107 -3.631) 4.350 1.118 ( 0.617 2.260 -0.335) 2.366 1.232 ( 7.540 4.392 -0.880) 8.770 1.289 ( 1.369 -1.709 0.205) 2.200 1.358 ( 1.813 -5.431 -0.192) 5.729 1.433 ( -2.562 0.089 -1.821) 3.144 1.484 ( 3.395 -2.924 -1.637) 4.770 1.585 ( -0.251 -3.906 -0.388) 3.933 1.603 ( 0.375 2.388 1.024) 2.625 1.633 ( 0.013 -2.208 1.111) 2.472 1.709 ( 0.119 1.969 1.353) 2.392 1.734 ( 1.702 -0.105 1.339) 2.168 1.773 ( 2.191 1.564 1.462) 3.064 1.821 ( 0.709 1.850 2.181) 2.947 1.962 ( -0.421 0.142 -1.107) 1.193 2.010 ( -3.004 -0.022 0.538) 3.052 2.036 ( -2.808 0.081 -0.233) 2.818 2.107 ( -2.581 2.306 -1.290) 3.694 2.153 ( -3.189 -0.564 -0.338) 3.256 2.238 ( -3.100 0.315 0.870) 3.235 2.397 ( -1.003 -1.697 -0.506) 2.035 2.540 ( -0.864 -1.059 -0.527) 1.465 2.550 ( -0.358 -1.460 1.551) 2.160 2.628 ( -1.424 -2.331 -1.758) 3.248 2.729 ( 0.379 3.240 -1.563) 3.617 2.767 ( -0.535 2.441 1.844) 3.105 2.843 ( 0.855 -1.291 0.945) 1.814 2.914 ( -1.994 -0.922 -0.391) 2.231 3.018 ( 3.081 0.572 0.863) 3.250 3.103 ( -0.123 -3.175 -1.291) 3.429 3.204 ( -0.212 0.148 0.711) 0.757 3.291 ( 0.695 -2.500 1.541) 3.018 3.615 ( -3.554 3.699 4.596) 6.888 3.693 ( -4.934 0.330 7.666) 9.123 3.992 ( 0.291 17.450 0.094) 17.453 4.640 ( -1.223 1.910 -0.588) 2.342 4.773 ( 1.000 -1.432 0.297) 1.771 5.077 ( -1.851 -5.963 0.264) 6.249 5.361 ( -0.836 3.351 -0.506) 3.490 5.475 ( 0.977 2.244 -0.687) 2.542 5.481 ( -0.065 0.165 -0.925) 0.942 5.713 ( 0.934 -3.072 -0.825) 3.315 5.774 ( -2.070 -0.580 0.486) 2.204 5.873 ( 1.821 2.001 2.383) 3.606 6.057 ( -5.958 -4.321 -6.101) 9.559 6.286 ( 2.974 -10.202 5.127) 11.798 6.572 ( -6.440 2.282 -6.745) 9.601 6.870 ( -2.240 5.094 -0.098) 5.565 7.008 ( -1.618 4.720 -3.437) 6.059 7.101 ( -1.256 5.893 -4.946) 7.796 7.453 ( 2.276 3.884 0.148) 4.504 7.540 ( 2.832 0.506 0.938) 3.026 7.612 ( 1.847 -0.771 -0.156) 2.008 8.451 ( 1.154 -12.861 0.693) 12.931 8.691 ( -0.833 0.426 0.762) 1.207 8.752 ( 3.324 -0.753 3.433) 4.838 9.151 ( 0.364 0.345 -0.079) 0.508 9.206 ( 0.410 -0.941 -0.153) 1.038 ======================= Grid point 140 (73/78) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 2.691 0.000) 2.691 1.041 ( -0.000 -1.285 0.000) 1.285 1.065 ( -0.000 4.904 -0.000) 4.904 1.130 ( -0.000 1.143 0.000) 1.143 1.310 ( 0.000 4.024 0.000) 4.024 1.342 ( -0.000 2.640 0.000) 2.640 1.352 ( -0.000 -0.572 -0.000) 0.572 1.391 ( -0.000 -5.910 0.000) 5.910 1.524 ( -0.000 -4.403 0.000) 4.403 1.573 ( -0.000 -1.688 0.000) 1.688 1.609 ( -0.000 -1.411 0.000) 1.411 1.635 ( -0.000 -0.913 0.000) 0.913 1.717 ( -0.000 1.087 0.000) 1.087 1.745 ( -0.000 0.086 0.000) 0.086 1.831 ( -0.000 2.481 0.000) 2.481 1.840 ( -0.000 -0.097 0.000) 0.097 1.922 ( -0.000 0.013 0.000) 0.013 1.966 ( 0.000 -0.860 0.000) 0.860 1.998 ( -0.000 0.547 0.000) 0.547 2.100 ( -0.000 2.862 0.000) 2.862 2.114 ( -0.000 -0.182 0.000) 0.182 2.206 ( -0.000 1.126 0.000) 1.126 2.386 ( -0.000 -1.567 0.000) 1.567 2.519 ( -0.000 -2.189 0.000) 2.189 2.559 ( -0.000 -0.165 0.000) 0.165 2.609 ( -0.000 -1.552 0.000) 1.552 2.731 ( -0.000 6.053 0.000) 6.053 2.768 ( 0.000 0.077 0.000) 0.077 2.858 ( -0.000 -2.370 0.000) 2.370 2.881 ( -0.000 1.277 0.000) 1.277 3.072 ( 0.000 -2.521 0.000) 2.521 3.088 ( -0.000 -0.802 0.000) 0.802 3.203 ( 0.000 -0.297 -0.000) 0.297 3.295 ( -0.000 -4.567 0.000) 4.567 3.583 ( -0.000 3.561 0.000) 3.561 3.650 ( -0.000 0.602 0.000) 0.602 3.997 ( -0.000 18.935 0.000) 18.935 4.627 ( -0.000 2.285 0.000) 2.285 4.783 ( -0.000 -1.659 0.000) 1.659 5.050 ( -0.000 -4.481 0.000) 4.481 5.351 ( -0.000 3.094 0.000) 3.094 5.481 ( -0.000 -0.006 0.000) 0.006 5.483 ( -0.000 2.862 0.000) 2.862 5.717 ( -0.000 -1.197 0.000) 1.197 5.764 ( -0.000 -2.813 0.000) 2.813 5.918 ( -0.000 -4.239 0.000) 4.239 5.961 ( -0.000 3.691 0.000) 3.691 6.335 ( -0.000 -13.103 0.000) 13.103 6.490 ( -0.000 2.368 0.000) 2.368 6.842 ( -0.000 -3.489 0.000) 3.489 6.992 ( -0.000 13.659 -0.000) 13.659 7.091 ( -0.000 4.336 0.000) 4.336 7.475 ( -0.000 2.969 0.000) 2.969 7.568 ( -0.000 1.174 0.000) 1.174 7.635 ( -0.000 -0.180 0.000) 0.180 8.460 ( -0.000 -13.189 0.000) 13.189 8.684 ( -0.000 1.246 0.000) 1.246 8.786 ( -0.000 -1.226 0.000) 1.226 9.155 ( -0.000 0.348 0.000) 0.348 9.210 ( -0.000 -0.944 0.000) 0.944 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.000 8.604 0.000) 8.604 0.896 ( 0.000 -0.705 0.000) 0.705 0.927 ( -0.000 -2.088 -0.000) 2.088 1.001 ( -0.000 -8.129 0.000) 8.129 1.086 ( 0.000 2.193 0.000) 2.193 1.113 ( -0.000 0.892 0.000) 0.892 1.127 ( -0.000 2.713 0.000) 2.713 1.241 ( 0.000 -7.814 0.000) 7.814 1.558 ( 0.000 0.210 0.000) 0.210 1.559 ( 0.000 -0.864 0.000) 0.864 1.609 ( -0.000 0.531 0.000) 0.531 1.631 ( 0.000 -1.957 0.000) 1.957 1.676 ( 0.000 4.344 0.000) 4.344 1.710 ( -0.000 2.744 0.000) 2.744 1.847 ( -0.000 2.881 0.000) 2.881 1.877 ( 0.000 -0.461 0.000) 0.461 2.021 ( -0.000 3.434 -0.000) 3.434 2.066 ( 0.000 1.350 0.000) 1.350 2.109 ( -0.000 0.399 0.000) 0.399 2.197 ( -0.000 -6.547 0.000) 6.547 2.296 ( 0.000 2.453 0.000) 2.453 2.354 ( -0.000 -2.998 0.000) 2.998 2.470 ( 0.000 1.215 0.000) 1.215 2.502 ( -0.000 -1.743 0.000) 1.743 2.599 ( -0.000 -0.358 0.000) 0.358 2.610 ( -0.000 -0.896 0.000) 0.896 2.691 ( 0.000 -0.539 0.000) 0.539 2.693 ( 0.000 -0.866 -0.000) 0.866 2.897 ( -0.000 2.413 0.000) 2.413 2.916 ( 0.000 0.455 0.000) 0.455 3.065 ( 0.000 -0.064 0.000) 0.064 3.095 ( -0.000 -2.739 0.000) 2.739 3.224 ( 0.000 1.007 0.000) 1.007 3.229 ( 0.000 0.528 0.000) 0.528 3.989 ( -0.000 5.016 0.000) 5.016 4.010 ( 0.000 1.331 0.000) 1.331 4.358 ( -0.000 4.500 0.000) 4.500 4.530 ( 0.000 -10.451 0.000) 10.451 4.702 ( 0.000 0.665 0.000) 0.665 4.716 ( 0.000 -0.761 0.000) 0.761 5.408 ( -0.000 0.703 0.000) 0.703 5.411 ( 0.000 0.681 0.000) 0.681 5.524 ( 0.000 2.277 0.000) 2.277 5.591 ( 0.000 -4.138 0.000) 4.138 5.872 ( -0.000 3.182 0.000) 3.182 5.937 ( 0.000 -3.587 0.000) 3.587 6.335 ( -0.000 9.248 0.000) 9.248 6.450 ( -0.000 -2.059 0.000) 2.059 6.837 ( 0.000 4.252 0.000) 4.252 6.919 ( -0.000 -3.712 0.000) 3.712 7.017 ( -0.000 7.904 0.000) 7.904 7.194 ( 0.000 -9.675 0.000) 9.675 7.490 ( -0.000 12.769 0.000) 12.769 7.667 ( -0.000 -5.673 0.000) 5.673 7.833 ( 0.000 5.532 0.000) 5.532 7.997 ( -0.000 -9.092 0.000) 9.092 8.484 ( 0.000 3.793 0.000) 3.793 8.597 ( -0.000 -8.078 0.000) 8.078 9.137 ( -0.000 0.706 0.000) 0.706 9.153 ( -0.000 -0.927 0.000) 0.927 ======================= Grid point 147 (75/78) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 5.224 5.933 -1.265) 8.005 0.896 ( 1.157 -0.042 -3.135) 3.342 0.953 ( 3.384 0.199 5.734) 6.661 1.037 ( 2.615 -4.910 0.125) 5.564 1.109 ( 1.972 0.200 0.401) 2.023 1.137 ( 2.679 0.080 -1.806) 3.232 1.165 ( 4.068 1.927 -2.367) 5.086 1.255 ( 1.498 -6.718 -0.859) 6.937 1.540 ( -1.261 -0.755 -1.339) 1.988 1.550 ( -0.524 -0.817 -2.041) 2.260 1.625 ( 0.489 0.874 0.171) 1.016 1.648 ( 0.839 -1.568 -1.076) 2.079 1.665 ( -0.044 4.953 1.696) 5.235 1.726 ( 1.305 0.668 1.605) 2.174 1.833 ( -1.390 3.189 -0.163) 3.482 1.865 ( -1.126 -0.271 -0.177) 1.172 2.021 ( -0.117 3.313 0.749) 3.399 2.064 ( -0.079 1.140 0.221) 1.164 2.102 ( -0.751 1.224 0.960) 1.728 2.192 ( -0.563 -5.411 0.291) 5.448 2.268 ( -2.822 1.040 -0.761) 3.103 2.320 ( -3.003 -3.216 -1.144) 4.546 2.459 ( -1.074 1.562 0.114) 1.899 2.494 ( -0.446 -1.722 -0.253) 1.797 2.590 ( -1.490 -0.817 0.859) 1.904 2.600 ( -0.101 -1.555 -1.228) 1.984 2.709 ( 1.638 1.053 0.148) 1.952 2.731 ( 3.118 -1.076 -0.432) 3.327 2.890 ( -0.874 1.621 0.440) 1.893 2.908 ( -0.901 0.206 1.685) 1.922 3.044 ( -1.562 0.269 -0.996) 1.872 3.075 ( -1.691 -2.604 -0.280) 3.117 3.234 ( 0.367 0.907 0.778) 1.250 3.240 ( 1.072 0.419 0.345) 1.202 3.901 ( -7.320 3.595 8.386) 11.697 3.949 ( -7.341 -1.454 7.699) 10.737 4.340 ( 0.833 15.096 -0.428) 15.125 4.655 ( 8.867 -15.096 -1.331) 17.558 4.702 ( -0.057 0.623 -0.285) 0.688 4.718 ( 0.305 -1.084 -0.103) 1.131 5.411 ( 0.531 1.260 -0.950) 1.665 5.424 ( 1.194 0.061 -1.281) 1.752 5.526 ( 0.112 2.553 0.318) 2.575 5.595 ( 0.428 -4.181 0.047) 4.203 5.874 ( 0.237 2.947 -0.147) 2.960 5.929 ( -0.925 -2.621 -0.595) 2.843 6.247 ( -7.717 4.968 0.927) 9.224 6.319 ( -10.712 -2.285 2.477) 11.229 6.853 ( 0.540 5.706 -5.319) 7.819 6.955 ( 2.264 -4.321 -8.775) 10.040 7.093 ( 6.011 8.072 0.470) 10.076 7.249 ( 4.766 -8.013 1.330) 9.418 7.450 ( -3.940 8.682 -3.668) 10.216 7.551 ( -8.245 -1.967 -2.061) 8.723 7.757 ( -4.811 10.819 -0.043) 11.841 8.050 ( 2.935 -15.173 1.324) 15.511 8.551 ( 5.465 2.653 3.810) 7.171 8.627 ( 2.495 -5.432 1.940) 6.284 9.142 ( 0.502 0.772 -0.093) 0.925 9.161 ( 0.653 -1.051 -0.208) 1.254 ======================= Grid point 148 (76/78) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 3.414 4.169 1.167) 5.513 0.981 ( 5.258 -0.375 -1.209) 5.408 1.058 ( 4.889 0.117 4.673) 6.764 1.096 ( 4.523 -0.926 -2.440) 5.222 1.156 ( 3.104 2.398 -1.904) 4.360 1.210 ( 4.947 0.200 -3.034) 5.807 1.253 ( 4.267 -0.655 -1.045) 4.441 1.295 ( 2.903 -5.534 -1.445) 6.414 1.513 ( -1.335 -0.197 -2.018) 2.427 1.539 ( -0.377 -2.054 -2.130) 2.983 1.611 ( -1.182 1.737 -1.655) 2.674 1.639 ( -1.085 -0.145 0.044) 1.096 1.698 ( 2.084 2.406 3.774) 4.938 1.753 ( 0.820 -1.234 2.439) 2.854 1.800 ( -1.513 3.119 -0.240) 3.475 1.837 ( -1.583 -0.406 -0.117) 1.638 2.016 ( -0.611 3.000 0.346) 3.081 2.057 ( -1.286 -0.942 -0.011) 1.594 2.085 ( -0.986 3.621 1.935) 4.223 2.168 ( -2.548 -3.900 0.238) 4.665 2.201 ( -3.052 0.925 -1.805) 3.665 2.257 ( -2.976 -3.665 0.483) 4.745 2.433 ( -1.550 2.323 0.191) 2.799 2.492 ( 0.006 -3.051 0.651) 3.119 2.560 ( -1.554 0.322 -0.409) 1.639 2.594 ( -0.410 -2.597 -2.193) 3.424 2.741 ( 1.516 2.389 -0.064) 2.830 2.786 ( 2.053 -1.769 -0.364) 2.734 2.864 ( -1.302 2.476 1.008) 2.973 2.900 ( 0.235 -1.101 2.344) 2.601 3.019 ( -1.064 0.285 -0.455) 1.192 3.042 ( -1.391 -2.480 -1.165) 3.073 3.234 ( -0.474 1.428 0.711) 1.664 3.257 ( 0.366 -0.757 0.664) 1.071 3.767 ( -6.975 2.393 9.108) 11.718 3.802 ( -7.854 -1.311 10.263) 12.989 4.383 ( 2.974 22.765 -0.410) 22.962 4.695 ( -0.466 1.540 -0.400) 1.658 4.725 ( 0.598 -1.407 0.104) 1.532 4.802 ( 5.613 -18.475 -0.009) 19.308 5.421 ( 0.462 1.815 -1.179) 2.213 5.448 ( 1.342 -0.920 -1.752) 2.391 5.531 ( 0.472 3.507 0.398) 3.561 5.609 ( 1.062 -4.299 0.043) 4.429 5.869 ( -2.303 2.040 -1.343) 3.357 5.893 ( -2.026 -0.008 -0.765) 2.165 6.096 ( -7.290 -0.114 1.822) 7.515 6.145 ( -5.693 -4.619 3.139) 7.975 6.808 ( -4.994 6.371 -9.745) 12.669 6.936 ( -3.837 -6.449 -11.561) 13.783 7.155 ( -0.134 8.826 0.679) 8.853 7.254 ( -3.872 -1.211 -4.088) 5.759 7.444 ( 5.919 2.538 1.021) 6.521 7.500 ( 2.709 -1.322 0.433) 3.045 7.694 ( -1.830 16.322 0.987) 16.454 8.088 ( 1.106 -20.205 1.261) 20.275 8.659 ( 4.629 0.608 4.045) 6.178 8.678 ( 2.218 -1.458 2.524) 3.662 9.153 ( 0.591 0.833 -0.133) 1.030 9.173 ( 0.643 -1.178 -0.228) 1.361 ======================= Grid point 149 (77/78) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 4.573 4.413 2.619) 6.873 1.061 ( 2.799 0.600 -1.901) 3.437 1.118 ( 2.164 0.889 0.937) 2.520 1.170 ( 1.391 -3.070 0.130) 3.373 1.219 ( 3.216 3.313 -1.588) 4.883 1.293 ( 1.654 -1.661 -3.632) 4.323 1.319 ( 5.032 2.127 -0.417) 5.479 1.366 ( 3.797 -4.456 -1.104) 5.957 1.490 ( -0.533 0.042 -1.549) 1.639 1.529 ( -0.486 -2.538 -1.397) 2.938 1.581 ( -2.115 1.221 -0.932) 2.613 1.625 ( -0.049 -0.964 0.485) 1.080 1.736 ( 0.976 0.759 2.364) 2.668 1.749 ( -0.739 0.649 1.431) 1.737 1.801 ( 1.597 1.135 0.617) 2.055 1.821 ( 0.312 -0.978 1.830) 2.098 1.989 ( -2.493 1.709 -1.042) 3.197 2.008 ( -3.455 -0.218 0.168) 3.466 2.052 ( -2.476 1.942 0.388) 3.171 2.110 ( -2.411 -2.835 0.480) 3.752 2.168 ( -0.496 2.789 -0.307) 2.850 2.220 ( -1.058 -2.134 0.877) 2.538 2.404 ( -1.277 2.581 -0.029) 2.880 2.478 ( -1.537 -4.352 1.135) 4.753 2.545 ( 0.191 0.896 -1.264) 1.561 2.579 ( -0.810 -2.385 -1.511) 2.937 2.767 ( 1.182 1.674 -0.205) 2.059 2.803 ( 0.289 -1.825 0.140) 1.853 2.861 ( 0.500 4.864 1.288) 5.056 2.922 ( 1.291 0.330 0.491) 1.420 2.997 ( -0.698 -1.506 -0.056) 1.661 3.030 ( 0.078 -3.565 -0.952) 3.691 3.219 ( -0.968 1.312 0.454) 1.693 3.250 ( -1.046 -1.769 0.407) 2.095 3.670 ( -3.804 1.975 5.672) 7.110 3.693 ( -4.251 -0.489 6.739) 7.983 4.437 ( 2.364 25.315 0.158) 25.426 4.686 ( -0.431 2.545 -0.246) 2.593 4.736 ( 0.433 -2.268 0.097) 2.311 4.867 ( 1.458 -16.613 0.193) 16.678 5.422 ( -0.256 2.785 -0.760) 2.898 5.466 ( 0.590 -1.519 -1.130) 1.983 5.547 ( 1.105 4.461 0.241) 4.603 5.638 ( 2.027 -4.507 -0.019) 4.942 5.781 ( -4.492 1.426 -0.773) 4.776 5.843 ( -4.025 -4.664 -1.471) 6.334 6.020 ( -0.548 2.155 2.369) 3.248 6.110 ( 0.207 -6.805 3.246) 7.543 6.666 ( -6.981 6.615 -8.815) 13.047 6.805 ( -6.556 -6.972 -8.970) 13.117 7.158 ( 0.887 5.970 2.321) 6.466 7.207 ( -1.121 1.677 -2.529) 3.235 7.555 ( 4.220 1.297 0.912) 4.508 7.580 ( 4.108 -0.503 0.118) 4.141 7.677 ( -0.310 18.230 0.640) 18.244 8.102 ( 0.334 -21.832 0.739) 21.847 8.707 ( 0.886 1.143 1.532) 2.106 8.731 ( 2.281 -1.250 2.635) 3.702 9.163 ( 0.371 0.847 -0.084) 0.928 9.183 ( 0.396 -1.209 -0.126) 1.278 ======================= Grid point 150 (78/78) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 2.910 0.000) 2.910 1.076 ( -0.000 2.226 -0.000) 2.226 1.148 ( -0.000 0.738 0.000) 0.738 1.165 ( -0.000 2.966 -0.000) 2.966 1.261 ( -0.000 -3.327 0.000) 3.327 1.294 ( -0.000 -1.964 0.000) 1.964 1.385 ( 0.000 1.757 0.000) 1.757 1.402 ( -0.000 -1.460 0.000) 1.460 1.495 ( -0.000 -2.928 0.000) 2.928 1.518 ( -0.000 1.240 0.000) 1.240 1.547 ( -0.000 0.128 0.000) 0.128 1.628 ( -0.000 -2.311 0.000) 2.311 1.740 ( 0.000 0.066 -0.000) 0.066 1.745 ( -0.000 0.451 0.000) 0.451 1.836 ( -0.000 -0.332 -0.000) 0.332 1.838 ( 0.000 -0.150 0.000) 0.150 1.947 ( -0.000 1.162 0.000) 1.162 1.954 ( 0.000 -0.227 -0.000) 0.227 2.028 ( -0.000 2.723 0.000) 2.723 2.086 ( -0.000 -2.422 0.000) 2.422 2.166 ( 0.000 3.109 0.000) 3.109 2.211 ( -0.000 -1.092 0.000) 1.092 2.391 ( -0.000 2.360 0.000) 2.360 2.460 ( -0.000 -3.857 0.000) 3.857 2.549 ( -0.000 -0.118 0.000) 0.118 2.568 ( -0.000 -1.935 0.000) 1.935 2.780 ( -0.000 1.053 0.000) 1.053 2.807 ( -0.000 -1.579 0.000) 1.579 2.870 ( -0.000 6.323 0.000) 6.323 2.931 ( -0.000 3.252 0.000) 3.252 2.998 ( -0.000 -4.420 0.000) 4.420 3.032 ( -0.000 -4.458 0.000) 4.458 3.208 ( 0.000 0.845 -0.000) 0.845 3.234 ( -0.000 -1.901 0.000) 1.901 3.637 ( -0.000 1.880 0.000) 1.880 3.656 ( -0.000 -0.200 0.000) 0.200 4.462 ( -0.000 25.637 0.000) 25.637 4.681 ( -0.000 2.970 0.000) 2.970 4.740 ( -0.000 -2.608 0.000) 2.608 4.877 ( -0.000 -14.673 0.000) 14.673 5.417 ( -0.000 3.503 0.000) 3.503 5.470 ( -0.000 -1.495 0.000) 1.495 5.561 ( -0.000 5.032 0.000) 5.032 5.671 ( -0.000 -4.445 0.000) 4.445 5.732 ( -0.000 -0.150 0.000) 0.150 5.787 ( -0.000 -6.959 0.000) 6.959 6.028 ( -0.000 3.365 0.000) 3.365 6.119 ( -0.000 -7.244 0.000) 7.244 6.583 ( -0.000 6.797 0.000) 6.797 6.728 ( -0.000 -7.359 0.000) 7.359 7.176 ( 0.000 3.526 0.000) 3.526 7.192 ( -0.000 3.592 -0.000) 3.592 7.596 ( -0.000 1.579 0.000) 1.579 7.623 ( -0.000 -0.851 0.000) 0.851 7.676 ( -0.000 18.810 0.000) 18.810 8.106 ( -0.000 -22.050 0.000) 22.050 8.716 ( -0.000 1.940 0.000) 1.940 8.755 ( -0.000 -1.932 0.000) 1.932 9.166 ( -0.000 0.860 0.000) 0.860 9.187 ( -0.000 -1.224 0.000) 1.224 =================== 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 3/14400 10.0 44.476 47.171 41.701 0.000 6.356 0.000 3/14400 20.0 10.675 11.481 9.650 0.000 1.257 0.000 3/14400 30.0 4.944 5.304 4.412 0.000 0.576 0.000 3/14400 40.0 2.932 3.123 2.595 0.000 0.348 0.000 3/14400 50.0 1.994 2.118 1.759 0.000 0.241 0.000 3/14400 60.0 1.482 1.576 1.306 0.000 0.182 0.000 3/14400 70.0 1.170 1.249 1.031 0.000 0.145 0.000 3/14400 80.0 0.965 1.034 0.850 0.000 0.120 0.000 3/14400 90.0 0.820 0.884 0.722 0.000 0.103 0.000 3/14400 100.0 0.714 0.773 0.629 0.000 0.090 0.000 3/14400 110.0 0.632 0.689 0.557 0.000 0.080 0.000 3/14400 120.0 0.568 0.622 0.501 0.000 0.072 0.000 3/14400 130.0 0.516 0.567 0.455 0.000 0.066 0.000 3/14400 140.0 0.473 0.522 0.417 0.000 0.060 0.000 3/14400 150.0 0.437 0.484 0.385 0.000 0.056 0.000 3/14400 160.0 0.406 0.451 0.358 0.000 0.052 0.000 3/14400 170.0 0.379 0.423 0.334 0.000 0.049 0.000 3/14400 180.0 0.356 0.398 0.314 0.000 0.046 0.000 3/14400 190.0 0.335 0.376 0.296 0.000 0.043 0.000 3/14400 200.0 0.317 0.356 0.280 0.000 0.041 0.000 3/14400 210.0 0.301 0.338 0.265 0.000 0.039 0.000 3/14400 220.0 0.286 0.322 0.253 0.000 0.037 0.000 3/14400 230.0 0.273 0.308 0.241 0.000 0.035 0.000 3/14400 240.0 0.261 0.295 0.230 0.000 0.034 0.000 3/14400 250.0 0.250 0.283 0.221 0.000 0.032 0.000 3/14400 260.0 0.240 0.271 0.212 0.000 0.031 0.000 3/14400 270.0 0.231 0.261 0.203 0.000 0.030 0.000 3/14400 280.0 0.222 0.252 0.196 0.000 0.029 0.000 3/14400 290.0 0.214 0.243 0.189 0.000 0.028 0.000 3/14400 300.0 0.207 0.235 0.182 0.000 0.027 0.000 3/14400 310.0 0.200 0.227 0.176 0.000 0.026 0.000 3/14400 320.0 0.193 0.220 0.171 0.000 0.025 0.000 3/14400 330.0 0.187 0.213 0.165 0.000 0.024 0.000 3/14400 340.0 0.182 0.207 0.160 0.000 0.024 0.000 3/14400 350.0 0.176 0.201 0.156 0.000 0.023 0.000 3/14400 360.0 0.171 0.195 0.151 0.000 0.022 0.000 3/14400 370.0 0.167 0.190 0.147 0.000 0.022 0.000 3/14400 380.0 0.162 0.185 0.143 0.000 0.021 0.000 3/14400 390.0 0.158 0.180 0.139 0.000 0.020 0.000 3/14400 400.0 0.154 0.175 0.136 0.000 0.020 0.000 3/14400 410.0 0.150 0.171 0.132 0.000 0.019 0.000 3/14400 420.0 0.146 0.167 0.129 0.000 0.019 0.000 3/14400 430.0 0.143 0.163 0.126 0.000 0.019 0.000 3/14400 440.0 0.140 0.159 0.123 0.000 0.018 0.000 3/14400 450.0 0.136 0.156 0.120 0.000 0.018 0.000 3/14400 460.0 0.133 0.152 0.118 0.000 0.017 0.000 3/14400 470.0 0.131 0.149 0.115 0.000 0.017 0.000 3/14400 480.0 0.128 0.146 0.113 0.000 0.017 0.000 3/14400 490.0 0.125 0.143 0.110 0.000 0.016 0.000 3/14400 500.0 0.123 0.140 0.108 0.000 0.016 0.000 3/14400 510.0 0.120 0.137 0.106 0.000 0.016 0.000 3/14400 520.0 0.118 0.135 0.104 0.000 0.015 0.000 3/14400 530.0 0.116 0.132 0.102 0.000 0.015 0.000 3/14400 540.0 0.113 0.130 0.100 0.000 0.015 0.000 3/14400 550.0 0.111 0.127 0.098 0.000 0.014 0.000 3/14400 560.0 0.109 0.125 0.096 0.000 0.014 0.000 3/14400 570.0 0.107 0.123 0.095 0.000 0.014 0.000 3/14400 580.0 0.106 0.121 0.093 0.000 0.014 0.000 3/14400 590.0 0.104 0.119 0.092 0.000 0.013 0.000 3/14400 600.0 0.102 0.117 0.090 0.000 0.013 0.000 3/14400 610.0 0.100 0.115 0.088 0.000 0.013 0.000 3/14400 620.0 0.099 0.113 0.087 0.000 0.013 0.000 3/14400 630.0 0.097 0.111 0.086 0.000 0.013 0.000 3/14400 640.0 0.096 0.109 0.084 0.000 0.012 0.000 3/14400 650.0 0.094 0.108 0.083 0.000 0.012 0.000 3/14400 660.0 0.093 0.106 0.082 0.000 0.012 0.000 3/14400 670.0 0.091 0.105 0.081 0.000 0.012 0.000 3/14400 680.0 0.090 0.103 0.079 0.000 0.012 0.000 3/14400 690.0 0.089 0.102 0.078 0.000 0.012 0.000 3/14400 700.0 0.087 0.100 0.077 0.000 0.011 0.000 3/14400 710.0 0.086 0.099 0.076 0.000 0.011 0.000 3/14400 720.0 0.085 0.097 0.075 0.000 0.011 0.000 3/14400 730.0 0.084 0.096 0.074 0.000 0.011 0.000 3/14400 740.0 0.083 0.095 0.073 0.000 0.011 0.000 3/14400 750.0 0.081 0.093 0.072 0.000 0.011 0.000 3/14400 760.0 0.080 0.092 0.071 0.000 0.010 0.000 3/14400 770.0 0.079 0.091 0.070 0.000 0.010 0.000 3/14400 780.0 0.078 0.090 0.069 0.000 0.010 0.000 3/14400 790.0 0.077 0.089 0.068 0.000 0.010 0.000 3/14400 800.0 0.076 0.088 0.067 0.000 0.010 0.000 3/14400 810.0 0.075 0.086 0.067 0.000 0.010 0.000 3/14400 820.0 0.074 0.085 0.066 0.000 0.010 0.000 3/14400 830.0 0.074 0.084 0.065 0.000 0.010 0.000 3/14400 840.0 0.073 0.083 0.064 0.000 0.009 0.000 3/14400 850.0 0.072 0.082 0.063 0.000 0.009 0.000 3/14400 860.0 0.071 0.081 0.063 0.000 0.009 0.000 3/14400 870.0 0.070 0.081 0.062 0.000 0.009 0.000 3/14400 880.0 0.069 0.080 0.061 0.000 0.009 0.000 3/14400 890.0 0.069 0.079 0.061 0.000 0.009 0.000 3/14400 900.0 0.068 0.078 0.060 0.000 0.009 0.000 3/14400 910.0 0.067 0.077 0.059 0.000 0.009 0.000 3/14400 920.0 0.066 0.076 0.059 0.000 0.009 0.000 3/14400 930.0 0.066 0.075 0.058 0.000 0.009 0.000 3/14400 940.0 0.065 0.075 0.057 0.000 0.008 0.000 3/14400 950.0 0.064 0.074 0.057 0.000 0.008 0.000 3/14400 960.0 0.064 0.073 0.056 0.000 0.008 0.000 3/14400 970.0 0.063 0.072 0.056 0.000 0.008 0.000 3/14400 980.0 0.062 0.071 0.055 0.000 0.008 0.000 3/14400 990.0 0.062 0.071 0.054 0.000 0.008 0.000 3/14400 1000.0 0.061 0.070 0.054 0.000 0.008 0.000 3/14400 Thermal conductivity related properties were written into "kappa-m856.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:06:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|