----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:26:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.523165560719328 0.000000000000000 0.000000000000000 b 0.000000000000000 5.544229389999999 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): *1 F 0.43747455638983 0.37713359988122 0.81451471521470 18.998 2 F 0.56252544361017 0.87713359988122 0.68548528478530 18.998 3 F 0.56252544361017 0.62286640011878 0.18548528478530 18.998 4 F 0.43747455638983 0.12286640011878 0.31451471521470 18.998 *5 F 0.83197326915233 0.31167561639725 0.02472612436759 18.998 6 F 0.16802673084767 0.81167561639724 0.47527387563241 18.998 *7 F 0.33922284260055 0.21089343824155 0.05217953309788 18.998 8 F 0.66077715739945 0.71089343824155 0.44782046690212 18.998 9 F 0.66077715739945 0.78910656175845 0.94782046690211 18.998 10 F 0.33922284260055 0.28910656175845 0.55217953309789 18.998 *11 F 0.93756537028043 0.21901754925037 0.28280755788556 18.998 12 F 0.06243462971957 0.71901754925037 0.21719244211444 18.998 13 F 0.06243462971957 0.78098245074963 0.71719244211444 18.998 14 F 0.93756537028043 0.28098245074963 0.78280755788556 18.998 15 F 0.83197326915233 0.18832438360275 0.52472612436759 18.998 16 F 0.16802673084767 0.68832438360276 0.97527387563241 18.998 *17 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 18 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 *19 Au 0.13603672931247 0.28090577524156 0.66927270412394 196.967 20 Au 0.86396327068753 0.78090577524156 0.83072729587606 196.967 21 Au 0.86396327068753 0.71909422475844 0.33072729587606 196.967 22 Au 0.13603672931247 0.21909422475845 0.16927270412394 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.523165560719328 0.000000000000000 0.000000000000000 b 0.000000000000000 5.544229389999999 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): *1 F 0.43747455638983 0.37713359988122 0.81451471521470 18.998 > 1 2 F 0.56252544361017 0.87713359988122 0.68548528478530 18.998 > 2 3 F 0.56252544361017 0.62286640011878 0.18548528478530 18.998 > 3 4 F 0.43747455638983 0.12286640011878 0.31451471521470 18.998 > 4 *5 F 0.83197326915233 0.31167561639725 0.02472612436759 18.998 > 5 6 F 0.16802673084767 0.81167561639724 0.47527387563241 18.998 > 6 *7 F 0.33922284260055 0.21089343824155 0.05217953309788 18.998 > 7 8 F 0.66077715739945 0.71089343824155 0.44782046690212 18.998 > 8 9 F 0.66077715739945 0.78910656175845 0.94782046690211 18.998 > 9 10 F 0.33922284260055 0.28910656175845 0.55217953309789 18.998 > 10 *11 F 0.93756537028043 0.21901754925037 0.28280755788556 18.998 > 11 12 F 0.06243462971957 0.71901754925037 0.21719244211444 18.998 > 12 13 F 0.06243462971957 0.78098245074963 0.71719244211444 18.998 > 13 14 F 0.93756537028043 0.28098245074963 0.78280755788556 18.998 > 14 15 F 0.83197326915233 0.18832438360275 0.52472612436759 18.998 > 15 16 F 0.16802673084767 0.68832438360276 0.97527387563241 18.998 > 16 *17 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 17 18 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 18 *19 Au 0.13603672931247 0.28090577524156 0.66927270412394 196.967 > 19 20 Au 0.86396327068753 0.78090577524156 0.83072729587606 196.967 > 20 21 Au 0.86396327068753 0.71909422475844 0.33072729587606 196.967 > 21 22 Au 0.13603672931247 0.21909422475845 0.16927270412394 196.967 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.046331121438657 0.000000000000000 0.000000000000000 b 0.000000000000000 11.088458779999998 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): *1 F 0.21873727819492 0.18856679994061 0.81451471521470 18.998 > 1 2 F 0.71873727819492 0.18856679994061 0.81451471521470 18.998 > 1 3 F 0.21873727819492 0.68856679994061 0.81451471521470 18.998 > 1 4 F 0.71873727819492 0.68856679994061 0.81451471521470 18.998 > 1 5 F 0.28126272180508 0.43856679994061 0.68548528478530 18.998 > 2 6 F 0.78126272180508 0.43856679994061 0.68548528478530 18.998 > 2 7 F 0.28126272180508 0.93856679994061 0.68548528478530 18.998 > 2 8 F 0.78126272180508 0.93856679994061 0.68548528478530 18.998 > 2 9 F 0.28126272180508 0.31143320005939 0.18548528478530 18.998 > 3 10 F 0.78126272180508 0.31143320005939 0.18548528478530 18.998 > 3 11 F 0.28126272180508 0.81143320005939 0.18548528478530 18.998 > 3 12 F 0.78126272180508 0.81143320005939 0.18548528478530 18.998 > 3 13 F 0.21873727819492 0.06143320005939 0.31451471521470 18.998 > 4 14 F 0.71873727819492 0.06143320005939 0.31451471521470 18.998 > 4 15 F 0.21873727819492 0.56143320005939 0.31451471521470 18.998 > 4 16 F 0.71873727819492 0.56143320005939 0.31451471521470 18.998 > 4 *17 F 0.41598663457617 0.15583780819862 0.02472612436759 18.998 > 5 18 F 0.91598663457617 0.15583780819862 0.02472612436759 18.998 > 5 19 F 0.41598663457617 0.65583780819862 0.02472612436759 18.998 > 5 20 F 0.91598663457617 0.65583780819862 0.02472612436759 18.998 > 5 21 F 0.08401336542383 0.40583780819862 0.47527387563241 18.998 > 6 22 F 0.58401336542383 0.40583780819862 0.47527387563241 18.998 > 6 23 F 0.08401336542383 0.90583780819862 0.47527387563241 18.998 > 6 24 F 0.58401336542383 0.90583780819862 0.47527387563241 18.998 > 6 *25 F 0.16961142130027 0.10544671912078 0.05217953309788 18.998 > 7 26 F 0.66961142130027 0.10544671912078 0.05217953309788 18.998 > 7 27 F 0.16961142130027 0.60544671912078 0.05217953309788 18.998 > 7 28 F 0.66961142130027 0.60544671912078 0.05217953309788 18.998 > 7 29 F 0.33038857869973 0.35544671912078 0.44782046690212 18.998 > 8 30 F 0.83038857869973 0.35544671912078 0.44782046690212 18.998 > 8 31 F 0.33038857869973 0.85544671912078 0.44782046690212 18.998 > 8 32 F 0.83038857869973 0.85544671912078 0.44782046690212 18.998 > 8 33 F 0.33038857869973 0.39455328087922 0.94782046690211 18.998 > 9 34 F 0.83038857869973 0.39455328087922 0.94782046690211 18.998 > 9 35 F 0.33038857869973 0.89455328087922 0.94782046690211 18.998 > 9 36 F 0.83038857869973 0.89455328087922 0.94782046690211 18.998 > 9 37 F 0.16961142130027 0.14455328087922 0.55217953309789 18.998 > 10 38 F 0.66961142130027 0.14455328087922 0.55217953309789 18.998 > 10 39 F 0.16961142130027 0.64455328087922 0.55217953309789 18.998 > 10 40 F 0.66961142130027 0.64455328087922 0.55217953309789 18.998 > 10 *41 F 0.46878268514022 0.10950877462519 0.28280755788556 18.998 > 11 42 F 0.96878268514022 0.10950877462519 0.28280755788556 18.998 > 11 43 F 0.46878268514022 0.60950877462519 0.28280755788556 18.998 > 11 44 F 0.96878268514022 0.60950877462519 0.28280755788556 18.998 > 11 45 F 0.03121731485978 0.35950877462519 0.21719244211444 18.998 > 12 46 F 0.53121731485978 0.35950877462519 0.21719244211444 18.998 > 12 47 F 0.03121731485978 0.85950877462519 0.21719244211444 18.998 > 12 48 F 0.53121731485978 0.85950877462519 0.21719244211444 18.998 > 12 49 F 0.03121731485978 0.39049122537481 0.71719244211444 18.998 > 13 50 F 0.53121731485978 0.39049122537481 0.71719244211444 18.998 > 13 51 F 0.03121731485978 0.89049122537481 0.71719244211444 18.998 > 13 52 F 0.53121731485978 0.89049122537481 0.71719244211444 18.998 > 13 53 F 0.46878268514022 0.14049122537481 0.78280755788556 18.998 > 14 54 F 0.96878268514022 0.14049122537481 0.78280755788556 18.998 > 14 55 F 0.46878268514022 0.64049122537481 0.78280755788556 18.998 > 14 56 F 0.96878268514022 0.64049122537481 0.78280755788556 18.998 > 14 57 F 0.41598663457617 0.09416219180138 0.52472612436759 18.998 > 15 58 F 0.91598663457617 0.09416219180138 0.52472612436759 18.998 > 15 59 F 0.41598663457617 0.59416219180138 0.52472612436759 18.998 > 15 60 F 0.91598663457617 0.59416219180138 0.52472612436759 18.998 > 15 61 F 0.08401336542383 0.34416219180138 0.97527387563241 18.998 > 16 62 F 0.58401336542383 0.34416219180138 0.97527387563241 18.998 > 16 63 F 0.08401336542383 0.84416219180138 0.97527387563241 18.998 > 16 64 F 0.58401336542383 0.84416219180138 0.97527387563241 18.998 > 16 *65 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 17 66 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 17 67 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 17 68 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 17 69 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 18 70 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 18 71 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 18 72 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 18 *73 Au 0.06801836465624 0.14045288762078 0.66927270412394 196.967 > 19 74 Au 0.56801836465624 0.14045288762078 0.66927270412394 196.967 > 19 75 Au 0.06801836465624 0.64045288762078 0.66927270412394 196.967 > 19 76 Au 0.56801836465624 0.64045288762078 0.66927270412394 196.967 > 19 77 Au 0.43198163534376 0.39045288762078 0.83072729587606 196.967 > 20 78 Au 0.93198163534376 0.39045288762078 0.83072729587606 196.967 > 20 79 Au 0.43198163534376 0.89045288762078 0.83072729587606 196.967 > 20 80 Au 0.93198163534376 0.89045288762078 0.83072729587606 196.967 > 20 81 Au 0.43198163534376 0.35954711237922 0.33072729587606 196.967 > 21 82 Au 0.93198163534376 0.35954711237922 0.33072729587606 196.967 > 21 83 Au 0.43198163534376 0.85954711237922 0.33072729587606 196.967 > 21 84 Au 0.93198163534376 0.85954711237922 0.33072729587606 196.967 > 21 85 Au 0.06801836465624 0.10954711237922 0.16927270412394 196.967 > 22 86 Au 0.56801836465624 0.10954711237922 0.16927270412394 196.967 > 22 87 Au 0.06801836465624 0.60954711237922 0.16927270412394 196.967 > 22 88 Au 0.56801836465624 0.60954711237922 0.16927270412394 196.967 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2653349 0.0000000 0.0878943 0.0000000 2.4898884 0.0000000 0.0878942 0.0000000 3.3415577 -------------------------- Born effective charges -------------------------- 1 F -0.8127427 -0.2561743 -0.6599376 -0.1874530 -0.5388573 -0.4618072 -0.4992536 -0.3892291 -1.4565600 2 F -0.8127427 0.2561743 -0.6599376 0.1874530 -0.5388573 0.4618072 -0.4992536 0.3892291 -1.4565600 3 F -0.8127427 -0.2561743 -0.6599376 -0.1874530 -0.5388573 -0.4618072 -0.4992536 -0.3892291 -1.4565600 4 F -0.8127427 0.2561743 -0.6599376 0.1874530 -0.5388573 0.4618072 -0.4992536 0.3892291 -1.4565600 5 F -1.0579951 0.3543961 -0.5588228 0.3483614 -0.5756899 0.2308789 -0.7051847 0.3838971 -1.1210732 6 F -1.0579951 -0.3543961 -0.5588228 -0.3483614 -0.5756899 -0.2308789 -0.7051847 -0.3838971 -1.1210732 7 F -1.2956592 -0.2879333 0.6266127 -0.2060024 -0.5717493 0.0744218 0.6282789 0.1579855 -0.9004079 8 F -1.2956592 0.2879333 0.6266127 0.2060024 -0.5717493 -0.0744218 0.6282789 -0.1579855 -0.9004079 9 F -1.2956592 -0.2879333 0.6266127 -0.2060024 -0.5717493 0.0744218 0.6282789 0.1579855 -0.9004079 10 F -1.2956592 0.2879333 0.6266127 0.2060024 -0.5717493 -0.0744218 0.6282789 -0.1579855 -0.9004079 11 F -0.8511249 0.0337293 0.4633728 -0.0284151 -0.6792679 0.0421788 0.4462969 0.0099947 -0.6380497 12 F -0.8511249 -0.0337293 0.4633728 0.0284151 -0.6792679 -0.0421788 0.4462969 -0.0099947 -0.6380497 13 F -0.8511249 0.0337293 0.4633728 -0.0284151 -0.6792679 0.0421788 0.4462969 0.0099947 -0.6380497 14 F -0.8511249 -0.0337293 0.4633728 0.0284151 -0.6792679 -0.0421788 0.4462969 -0.0099947 -0.6380497 15 F -1.0579951 -0.3543961 -0.5588228 -0.3483614 -0.5756899 -0.2308789 -0.7051847 -0.3838971 -1.1210732 16 F -1.0579951 0.3543961 -0.5588228 0.3483614 -0.5756899 0.2308789 -0.7051847 0.3838971 -1.1210732 17 Zn 2.8025647 0.3444503 0.2753304 -0.1446151 2.1504933 0.2492681 0.1547353 -0.4326126 2.8578414 18 Zn 2.8025647 -0.3444503 0.2753304 0.1446151 2.1504933 -0.2492681 0.1547353 0.4326126 2.8578414 19 Au 2.6162397 0.3075190 -0.0088904 0.2107152 1.2903177 0.4944410 0.0524949 0.3609318 2.6871701 20 Au 2.6162397 -0.3075190 -0.0088904 -0.2107152 1.2903177 -0.4944410 0.0524949 -0.3609318 2.6871701 21 Au 2.6162397 0.3075190 -0.0088904 0.2107152 1.2903177 0.4944410 0.0524949 0.3609318 2.6871701 22 Au 2.6162397 -0.3075190 -0.0088904 -0.2107152 1.2903177 -0.4944410 0.0524949 -0.3609318 2.6871701 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 486 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: - (2286, 2233), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (486, 475), data: True |-- (486, 474), data: True |-- (486, 474), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.633 Solver_block: 200 / 720 - Time: 0.530 Solver_block: 300 / 720 - Time: 0.657 Solver_block: 400 / 720 - Time: 0.682 Solver_block: 500 / 720 - Time: 1.898 Solver_block: 600 / 720 - Time: 1.151 Solver_block: 700 / 720 - Time: 0.609 Solver_block: 720 / 720 - Time: 0.287 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.748 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 486 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: - (2286, 2233), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (486, 475), data: True |-- (486, 474), data: True |-- (486, 474), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:26:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:26:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.523165560719328 0.000000000000000 0.000000000000000 b 0.000000000000000 5.544229389999999 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): 1 F 0.43747455638983 0.37713359988122 0.81451471521470 18.998 2 F 0.56252544361017 0.87713359988122 0.68548528478530 18.998 3 F 0.56252544361017 0.62286640011878 0.18548528478530 18.998 4 F 0.43747455638983 0.12286640011878 0.31451471521470 18.998 5 F 0.83197326915233 0.31167561639725 0.02472612436759 18.998 6 F 0.16802673084767 0.81167561639724 0.47527387563241 18.998 7 F 0.33922284260055 0.21089343824155 0.05217953309788 18.998 8 F 0.66077715739945 0.71089343824155 0.44782046690212 18.998 9 F 0.66077715739945 0.78910656175845 0.94782046690211 18.998 10 F 0.33922284260055 0.28910656175845 0.55217953309789 18.998 11 F 0.93756537028043 0.21901754925037 0.28280755788556 18.998 12 F 0.06243462971957 0.71901754925037 0.21719244211444 18.998 13 F 0.06243462971957 0.78098245074963 0.71719244211444 18.998 14 F 0.93756537028043 0.28098245074963 0.78280755788556 18.998 15 F 0.83197326915233 0.18832438360275 0.52472612436759 18.998 16 F 0.16802673084767 0.68832438360276 0.97527387563241 18.998 17 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 18 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 19 Au 0.13603672931247 0.28090577524156 0.66927270412394 196.967 20 Au 0.86396327068753 0.78090577524156 0.83072729587606 196.967 21 Au 0.86396327068753 0.71909422475844 0.33072729587606 196.967 22 Au 0.13603672931247 0.21909422475845 0.16927270412394 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.046331121438657 0.000000000000000 0.000000000000000 b 0.000000000000000 11.088458779999998 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): 1 F 0.21873727819492 0.18856679994061 0.81451471521470 18.998 > 1 2 F 0.71873727819492 0.18856679994061 0.81451471521470 18.998 > 1 3 F 0.21873727819492 0.68856679994061 0.81451471521470 18.998 > 1 4 F 0.71873727819492 0.68856679994061 0.81451471521470 18.998 > 1 5 F 0.28126272180508 0.43856679994061 0.68548528478530 18.998 > 5 6 F 0.78126272180508 0.43856679994061 0.68548528478530 18.998 > 5 7 F 0.28126272180508 0.93856679994061 0.68548528478530 18.998 > 5 8 F 0.78126272180508 0.93856679994061 0.68548528478530 18.998 > 5 9 F 0.28126272180508 0.31143320005939 0.18548528478530 18.998 > 9 10 F 0.78126272180508 0.31143320005939 0.18548528478530 18.998 > 9 11 F 0.28126272180508 0.81143320005939 0.18548528478530 18.998 > 9 12 F 0.78126272180508 0.81143320005939 0.18548528478530 18.998 > 9 13 F 0.21873727819492 0.06143320005939 0.31451471521470 18.998 > 13 14 F 0.71873727819492 0.06143320005939 0.31451471521470 18.998 > 13 15 F 0.21873727819492 0.56143320005939 0.31451471521470 18.998 > 13 16 F 0.71873727819492 0.56143320005939 0.31451471521470 18.998 > 13 17 F 0.41598663457617 0.15583780819862 0.02472612436759 18.998 > 17 18 F 0.91598663457617 0.15583780819862 0.02472612436759 18.998 > 17 19 F 0.41598663457617 0.65583780819862 0.02472612436759 18.998 > 17 20 F 0.91598663457617 0.65583780819862 0.02472612436759 18.998 > 17 21 F 0.08401336542383 0.40583780819862 0.47527387563241 18.998 > 21 22 F 0.58401336542383 0.40583780819862 0.47527387563241 18.998 > 21 23 F 0.08401336542383 0.90583780819862 0.47527387563241 18.998 > 21 24 F 0.58401336542383 0.90583780819862 0.47527387563241 18.998 > 21 25 F 0.16961142130027 0.10544671912078 0.05217953309788 18.998 > 25 26 F 0.66961142130027 0.10544671912078 0.05217953309788 18.998 > 25 27 F 0.16961142130027 0.60544671912078 0.05217953309788 18.998 > 25 28 F 0.66961142130027 0.60544671912078 0.05217953309788 18.998 > 25 29 F 0.33038857869973 0.35544671912078 0.44782046690212 18.998 > 29 30 F 0.83038857869973 0.35544671912078 0.44782046690212 18.998 > 29 31 F 0.33038857869973 0.85544671912078 0.44782046690212 18.998 > 29 32 F 0.83038857869973 0.85544671912078 0.44782046690212 18.998 > 29 33 F 0.33038857869973 0.39455328087922 0.94782046690211 18.998 > 33 34 F 0.83038857869973 0.39455328087922 0.94782046690211 18.998 > 33 35 F 0.33038857869973 0.89455328087922 0.94782046690211 18.998 > 33 36 F 0.83038857869973 0.89455328087922 0.94782046690211 18.998 > 33 37 F 0.16961142130027 0.14455328087922 0.55217953309789 18.998 > 37 38 F 0.66961142130027 0.14455328087922 0.55217953309789 18.998 > 37 39 F 0.16961142130027 0.64455328087922 0.55217953309789 18.998 > 37 40 F 0.66961142130027 0.64455328087922 0.55217953309789 18.998 > 37 41 F 0.46878268514022 0.10950877462519 0.28280755788556 18.998 > 41 42 F 0.96878268514022 0.10950877462519 0.28280755788556 18.998 > 41 43 F 0.46878268514022 0.60950877462519 0.28280755788556 18.998 > 41 44 F 0.96878268514022 0.60950877462519 0.28280755788556 18.998 > 41 45 F 0.03121731485978 0.35950877462519 0.21719244211444 18.998 > 45 46 F 0.53121731485978 0.35950877462519 0.21719244211444 18.998 > 45 47 F 0.03121731485978 0.85950877462519 0.21719244211444 18.998 > 45 48 F 0.53121731485978 0.85950877462519 0.21719244211444 18.998 > 45 49 F 0.03121731485978 0.39049122537481 0.71719244211444 18.998 > 49 50 F 0.53121731485978 0.39049122537481 0.71719244211444 18.998 > 49 51 F 0.03121731485978 0.89049122537481 0.71719244211444 18.998 > 49 52 F 0.53121731485978 0.89049122537481 0.71719244211444 18.998 > 49 53 F 0.46878268514022 0.14049122537481 0.78280755788556 18.998 > 53 54 F 0.96878268514022 0.14049122537481 0.78280755788556 18.998 > 53 55 F 0.46878268514022 0.64049122537481 0.78280755788556 18.998 > 53 56 F 0.96878268514022 0.64049122537481 0.78280755788556 18.998 > 53 57 F 0.41598663457617 0.09416219180138 0.52472612436759 18.998 > 57 58 F 0.91598663457617 0.09416219180138 0.52472612436759 18.998 > 57 59 F 0.41598663457617 0.59416219180138 0.52472612436759 18.998 > 57 60 F 0.91598663457617 0.59416219180138 0.52472612436759 18.998 > 57 61 F 0.08401336542383 0.34416219180138 0.97527387563241 18.998 > 61 62 F 0.58401336542383 0.34416219180138 0.97527387563241 18.998 > 61 63 F 0.08401336542383 0.84416219180138 0.97527387563241 18.998 > 61 64 F 0.58401336542383 0.84416219180138 0.97527387563241 18.998 > 61 65 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 65 66 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 65 67 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 65 68 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 65 69 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 69 70 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 69 71 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 69 72 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 69 73 Au 0.06801836465624 0.14045288762078 0.66927270412394 196.967 > 73 74 Au 0.56801836465624 0.14045288762078 0.66927270412394 196.967 > 73 75 Au 0.06801836465624 0.64045288762078 0.66927270412394 196.967 > 73 76 Au 0.56801836465624 0.64045288762078 0.66927270412394 196.967 > 73 77 Au 0.43198163534376 0.39045288762078 0.83072729587606 196.967 > 77 78 Au 0.93198163534376 0.39045288762078 0.83072729587606 196.967 > 77 79 Au 0.43198163534376 0.89045288762078 0.83072729587606 196.967 > 77 80 Au 0.93198163534376 0.89045288762078 0.83072729587606 196.967 > 77 81 Au 0.43198163534376 0.35954711237922 0.33072729587606 196.967 > 81 82 Au 0.93198163534376 0.35954711237922 0.33072729587606 196.967 > 81 83 Au 0.43198163534376 0.85954711237922 0.33072729587606 196.967 > 81 84 Au 0.93198163534376 0.85954711237922 0.33072729587606 196.967 > 81 85 Au 0.06801836465624 0.10954711237922 0.16927270412394 196.967 > 85 86 Au 0.56801836465624 0.10954711237922 0.16927270412394 196.967 > 85 87 Au 0.06801836465624 0.60954711237922 0.16927270412394 196.967 > 85 88 Au 0.56801836465624 0.60954711237922 0.16927270412394 196.967 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2653349 0.0000000 0.0878943 0.0000000 2.4898884 0.0000000 0.0878942 0.0000000 3.3415577 -------------------------- Born effective charges -------------------------- 1 F -0.8127427 -0.2561743 -0.6599376 -0.1874530 -0.5388573 -0.4618072 -0.4992536 -0.3892291 -1.4565600 2 F -0.8127427 0.2561743 -0.6599376 0.1874530 -0.5388573 0.4618072 -0.4992536 0.3892291 -1.4565600 3 F -0.8127427 -0.2561743 -0.6599376 -0.1874530 -0.5388573 -0.4618072 -0.4992536 -0.3892291 -1.4565600 4 F -0.8127427 0.2561743 -0.6599376 0.1874530 -0.5388573 0.4618072 -0.4992536 0.3892291 -1.4565600 5 F -1.0579951 0.3543961 -0.5588228 0.3483614 -0.5756899 0.2308789 -0.7051847 0.3838971 -1.1210732 6 F -1.0579951 -0.3543961 -0.5588228 -0.3483614 -0.5756899 -0.2308789 -0.7051847 -0.3838971 -1.1210732 7 F -1.2956592 -0.2879333 0.6266127 -0.2060024 -0.5717493 0.0744218 0.6282789 0.1579855 -0.9004079 8 F -1.2956592 0.2879333 0.6266127 0.2060024 -0.5717493 -0.0744218 0.6282789 -0.1579855 -0.9004079 9 F -1.2956592 -0.2879333 0.6266127 -0.2060024 -0.5717493 0.0744218 0.6282789 0.1579855 -0.9004079 10 F -1.2956592 0.2879333 0.6266127 0.2060024 -0.5717493 -0.0744218 0.6282789 -0.1579855 -0.9004079 11 F -0.8511249 0.0337293 0.4633728 -0.0284151 -0.6792679 0.0421788 0.4462969 0.0099947 -0.6380497 12 F -0.8511249 -0.0337293 0.4633728 0.0284151 -0.6792679 -0.0421788 0.4462969 -0.0099947 -0.6380497 13 F -0.8511249 0.0337293 0.4633728 -0.0284151 -0.6792679 0.0421788 0.4462969 0.0099947 -0.6380497 14 F -0.8511249 -0.0337293 0.4633728 0.0284151 -0.6792679 -0.0421788 0.4462969 -0.0099947 -0.6380497 15 F -1.0579951 -0.3543961 -0.5588228 -0.3483614 -0.5756899 -0.2308789 -0.7051847 -0.3838971 -1.1210732 16 F -1.0579951 0.3543961 -0.5588228 0.3483614 -0.5756899 0.2308789 -0.7051847 0.3838971 -1.1210732 17 Zn 2.8025647 0.3444503 0.2753304 -0.1446151 2.1504933 0.2492681 0.1547353 -0.4326126 2.8578414 18 Zn 2.8025647 -0.3444503 0.2753304 0.1446151 2.1504933 -0.2492681 0.1547353 0.4326126 2.8578414 19 Au 2.6162397 0.3075190 -0.0088904 0.2107152 1.2903177 0.4944410 0.0524949 0.3609318 2.6871701 20 Au 2.6162397 -0.3075190 -0.0088904 -0.2107152 1.2903177 -0.4944410 0.0524949 -0.3609318 2.6871701 21 Au 2.6162397 0.3075190 -0.0088904 0.2107152 1.2903177 0.4944410 0.0524949 0.3609318 2.6871701 22 Au 2.6162397 -0.3075190 -0.0088904 -0.2107152 1.2903177 -0.4944410 0.0524949 -0.3609318 2.6871701 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000017 (xy) 0.00000017 (xy) 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 03:27:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:27:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.523165560719328 0.000000000000000 0.000000000000000 b 0.000000000000000 5.544229389999999 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): 1 F 0.43747455638983 0.37713359988122 0.81451471521470 18.998 2 F 0.56252544361017 0.87713359988122 0.68548528478530 18.998 3 F 0.56252544361017 0.62286640011878 0.18548528478530 18.998 4 F 0.43747455638983 0.12286640011878 0.31451471521470 18.998 5 F 0.83197326915233 0.31167561639725 0.02472612436759 18.998 6 F 0.16802673084767 0.81167561639724 0.47527387563241 18.998 7 F 0.33922284260055 0.21089343824155 0.05217953309788 18.998 8 F 0.66077715739945 0.71089343824155 0.44782046690212 18.998 9 F 0.66077715739945 0.78910656175845 0.94782046690211 18.998 10 F 0.33922284260055 0.28910656175845 0.55217953309789 18.998 11 F 0.93756537028043 0.21901754925037 0.28280755788556 18.998 12 F 0.06243462971957 0.71901754925037 0.21719244211444 18.998 13 F 0.06243462971957 0.78098245074963 0.71719244211444 18.998 14 F 0.93756537028043 0.28098245074963 0.78280755788556 18.998 15 F 0.83197326915233 0.18832438360275 0.52472612436759 18.998 16 F 0.16802673084767 0.68832438360276 0.97527387563241 18.998 17 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 18 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 19 Au 0.13603672931247 0.28090577524156 0.66927270412394 196.967 20 Au 0.86396327068753 0.78090577524156 0.83072729587606 196.967 21 Au 0.86396327068753 0.71909422475844 0.33072729587606 196.967 22 Au 0.13603672931247 0.21909422475845 0.16927270412394 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.046331121438657 0.000000000000000 0.000000000000000 b 0.000000000000000 11.088458779999998 0.000000000000000 c -3.682525193109288 0.000000000000000 10.271367277976170 Atomic positions (fractional): 1 F 0.21873727819492 0.18856679994061 0.81451471521470 18.998 > 1 2 F 0.71873727819492 0.18856679994061 0.81451471521470 18.998 > 1 3 F 0.21873727819492 0.68856679994061 0.81451471521470 18.998 > 1 4 F 0.71873727819492 0.68856679994061 0.81451471521470 18.998 > 1 5 F 0.28126272180508 0.43856679994061 0.68548528478530 18.998 > 5 6 F 0.78126272180508 0.43856679994061 0.68548528478530 18.998 > 5 7 F 0.28126272180508 0.93856679994061 0.68548528478530 18.998 > 5 8 F 0.78126272180508 0.93856679994061 0.68548528478530 18.998 > 5 9 F 0.28126272180508 0.31143320005939 0.18548528478530 18.998 > 9 10 F 0.78126272180508 0.31143320005939 0.18548528478530 18.998 > 9 11 F 0.28126272180508 0.81143320005939 0.18548528478530 18.998 > 9 12 F 0.78126272180508 0.81143320005939 0.18548528478530 18.998 > 9 13 F 0.21873727819492 0.06143320005939 0.31451471521470 18.998 > 13 14 F 0.71873727819492 0.06143320005939 0.31451471521470 18.998 > 13 15 F 0.21873727819492 0.56143320005939 0.31451471521470 18.998 > 13 16 F 0.71873727819492 0.56143320005939 0.31451471521470 18.998 > 13 17 F 0.41598663457617 0.15583780819862 0.02472612436759 18.998 > 17 18 F 0.91598663457617 0.15583780819862 0.02472612436759 18.998 > 17 19 F 0.41598663457617 0.65583780819862 0.02472612436759 18.998 > 17 20 F 0.91598663457617 0.65583780819862 0.02472612436759 18.998 > 17 21 F 0.08401336542383 0.40583780819862 0.47527387563241 18.998 > 21 22 F 0.58401336542383 0.40583780819862 0.47527387563241 18.998 > 21 23 F 0.08401336542383 0.90583780819862 0.47527387563241 18.998 > 21 24 F 0.58401336542383 0.90583780819862 0.47527387563241 18.998 > 21 25 F 0.16961142130027 0.10544671912078 0.05217953309788 18.998 > 25 26 F 0.66961142130027 0.10544671912078 0.05217953309788 18.998 > 25 27 F 0.16961142130027 0.60544671912078 0.05217953309788 18.998 > 25 28 F 0.66961142130027 0.60544671912078 0.05217953309788 18.998 > 25 29 F 0.33038857869973 0.35544671912078 0.44782046690212 18.998 > 29 30 F 0.83038857869973 0.35544671912078 0.44782046690212 18.998 > 29 31 F 0.33038857869973 0.85544671912078 0.44782046690212 18.998 > 29 32 F 0.83038857869973 0.85544671912078 0.44782046690212 18.998 > 29 33 F 0.33038857869973 0.39455328087922 0.94782046690211 18.998 > 33 34 F 0.83038857869973 0.39455328087922 0.94782046690211 18.998 > 33 35 F 0.33038857869973 0.89455328087922 0.94782046690211 18.998 > 33 36 F 0.83038857869973 0.89455328087922 0.94782046690211 18.998 > 33 37 F 0.16961142130027 0.14455328087922 0.55217953309789 18.998 > 37 38 F 0.66961142130027 0.14455328087922 0.55217953309789 18.998 > 37 39 F 0.16961142130027 0.64455328087922 0.55217953309789 18.998 > 37 40 F 0.66961142130027 0.64455328087922 0.55217953309789 18.998 > 37 41 F 0.46878268514022 0.10950877462519 0.28280755788556 18.998 > 41 42 F 0.96878268514022 0.10950877462519 0.28280755788556 18.998 > 41 43 F 0.46878268514022 0.60950877462519 0.28280755788556 18.998 > 41 44 F 0.96878268514022 0.60950877462519 0.28280755788556 18.998 > 41 45 F 0.03121731485978 0.35950877462519 0.21719244211444 18.998 > 45 46 F 0.53121731485978 0.35950877462519 0.21719244211444 18.998 > 45 47 F 0.03121731485978 0.85950877462519 0.21719244211444 18.998 > 45 48 F 0.53121731485978 0.85950877462519 0.21719244211444 18.998 > 45 49 F 0.03121731485978 0.39049122537481 0.71719244211444 18.998 > 49 50 F 0.53121731485978 0.39049122537481 0.71719244211444 18.998 > 49 51 F 0.03121731485978 0.89049122537481 0.71719244211444 18.998 > 49 52 F 0.53121731485978 0.89049122537481 0.71719244211444 18.998 > 49 53 F 0.46878268514022 0.14049122537481 0.78280755788556 18.998 > 53 54 F 0.96878268514022 0.14049122537481 0.78280755788556 18.998 > 53 55 F 0.46878268514022 0.64049122537481 0.78280755788556 18.998 > 53 56 F 0.96878268514022 0.64049122537481 0.78280755788556 18.998 > 53 57 F 0.41598663457617 0.09416219180138 0.52472612436759 18.998 > 57 58 F 0.91598663457617 0.09416219180138 0.52472612436759 18.998 > 57 59 F 0.41598663457617 0.59416219180138 0.52472612436759 18.998 > 57 60 F 0.91598663457617 0.59416219180138 0.52472612436759 18.998 > 57 61 F 0.08401336542383 0.34416219180138 0.97527387563241 18.998 > 61 62 F 0.58401336542383 0.34416219180138 0.97527387563241 18.998 > 61 63 F 0.08401336542383 0.84416219180138 0.97527387563241 18.998 > 61 64 F 0.58401336542383 0.84416219180138 0.97527387563241 18.998 > 61 65 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 > 65 66 Zn 0.75000000000000 0.25000000000000 0.00000000000000 65.380 > 65 67 Zn 0.25000000000000 0.75000000000000 0.00000000000000 65.380 > 65 68 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 > 65 69 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 69 70 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 69 71 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 69 72 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 69 73 Au 0.06801836465624 0.14045288762078 0.66927270412394 196.967 > 73 74 Au 0.56801836465624 0.14045288762078 0.66927270412394 196.967 > 73 75 Au 0.06801836465624 0.64045288762078 0.66927270412394 196.967 > 73 76 Au 0.56801836465624 0.64045288762078 0.66927270412394 196.967 > 73 77 Au 0.43198163534376 0.39045288762078 0.83072729587606 196.967 > 77 78 Au 0.93198163534376 0.39045288762078 0.83072729587606 196.967 > 77 79 Au 0.43198163534376 0.89045288762078 0.83072729587606 196.967 > 77 80 Au 0.93198163534376 0.89045288762078 0.83072729587606 196.967 > 77 81 Au 0.43198163534376 0.35954711237922 0.33072729587606 196.967 > 81 82 Au 0.93198163534376 0.35954711237922 0.33072729587606 196.967 > 81 83 Au 0.43198163534376 0.85954711237922 0.33072729587606 196.967 > 81 84 Au 0.93198163534376 0.85954711237922 0.33072729587606 196.967 > 81 85 Au 0.06801836465624 0.10954711237922 0.16927270412394 196.967 > 85 86 Au 0.56801836465624 0.10954711237922 0.16927270412394 196.967 > 85 87 Au 0.06801836465624 0.60954711237922 0.16927270412394 196.967 > 85 88 Au 0.56801836465624 0.60954711237922 0.16927270412394 196.967 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2653349 0.0000000 0.0878943 0.0000000 2.4898884 0.0000000 0.0878942 0.0000000 3.3415577 -------------------------- Born effective charges -------------------------- 1 F -0.8127427 -0.2561743 -0.6599376 -0.1874530 -0.5388573 -0.4618072 -0.4992536 -0.3892291 -1.4565600 2 F -0.8127427 0.2561743 -0.6599376 0.1874530 -0.5388573 0.4618072 -0.4992536 0.3892291 -1.4565600 3 F -0.8127427 -0.2561743 -0.6599376 -0.1874530 -0.5388573 -0.4618072 -0.4992536 -0.3892291 -1.4565600 4 F -0.8127427 0.2561743 -0.6599376 0.1874530 -0.5388573 0.4618072 -0.4992536 0.3892291 -1.4565600 5 F -1.0579951 0.3543961 -0.5588228 0.3483614 -0.5756899 0.2308789 -0.7051847 0.3838971 -1.1210732 6 F -1.0579951 -0.3543961 -0.5588228 -0.3483614 -0.5756899 -0.2308789 -0.7051847 -0.3838971 -1.1210732 7 F -1.2956592 -0.2879333 0.6266127 -0.2060024 -0.5717493 0.0744218 0.6282789 0.1579855 -0.9004079 8 F -1.2956592 0.2879333 0.6266127 0.2060024 -0.5717493 -0.0744218 0.6282789 -0.1579855 -0.9004079 9 F -1.2956592 -0.2879333 0.6266127 -0.2060024 -0.5717493 0.0744218 0.6282789 0.1579855 -0.9004079 10 F -1.2956592 0.2879333 0.6266127 0.2060024 -0.5717493 -0.0744218 0.6282789 -0.1579855 -0.9004079 11 F -0.8511249 0.0337293 0.4633728 -0.0284151 -0.6792679 0.0421788 0.4462969 0.0099947 -0.6380497 12 F -0.8511249 -0.0337293 0.4633728 0.0284151 -0.6792679 -0.0421788 0.4462969 -0.0099947 -0.6380497 13 F -0.8511249 0.0337293 0.4633728 -0.0284151 -0.6792679 0.0421788 0.4462969 0.0099947 -0.6380497 14 F -0.8511249 -0.0337293 0.4633728 0.0284151 -0.6792679 -0.0421788 0.4462969 -0.0099947 -0.6380497 15 F -1.0579951 -0.3543961 -0.5588228 -0.3483614 -0.5756899 -0.2308789 -0.7051847 -0.3838971 -1.1210732 16 F -1.0579951 0.3543961 -0.5588228 0.3483614 -0.5756899 0.2308789 -0.7051847 0.3838971 -1.1210732 17 Zn 2.8025647 0.3444503 0.2753304 -0.1446151 2.1504933 0.2492681 0.1547353 -0.4326126 2.8578414 18 Zn 2.8025647 -0.3444503 0.2753304 0.1446151 2.1504933 -0.2492681 0.1547353 0.4326126 2.8578414 19 Au 2.6162397 0.3075190 -0.0088904 0.2107152 1.2903177 0.4944410 0.0524949 0.3609318 2.6871701 20 Au 2.6162397 -0.3075190 -0.0088904 -0.2107152 1.2903177 -0.4944410 0.0524949 -0.3609318 2.6871701 21 Au 2.6162397 0.3075190 -0.0088904 0.2107152 1.2903177 0.4944410 0.0524949 0.3609318 2.6871701 22 Au 2.6162397 -0.3075190 -0.0088904 -0.2107152 1.2903177 -0.4944410 0.0524949 -0.3609318 2.6871701 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/130) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.856 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 15.573 ( 0.000 0.000 0.000) 0.000 15.594 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 16.053 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.544 ( 0.000 0.000 0.000) 0.000 16.854 ( 0.000 0.000 0.000) 0.000 16.908 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.955 ( 0.000 0.000 0.000) 0.000 18.058 ( 0.000 0.000 0.000) 0.000 18.187 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 0.000) 0.000 18.343 ( 0.000 0.000 0.000) 0.000 19.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/130) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( 8.562 0.000 8.010) 11.725 0.309 ( 14.537 0.000 8.990) 17.093 0.556 ( 21.915 0.000 8.396) 23.468 0.969 ( 9.832 0.000 9.594) 13.737 1.373 ( -4.827 0.000 -4.925) 6.896 1.547 ( 9.929 0.000 -3.557) 10.547 1.857 ( -4.301 0.000 -3.285) 5.412 1.870 ( -0.067 0.000 -8.714) 8.714 1.881 ( 9.611 0.000 9.947) 13.832 1.922 ( 3.242 0.000 -4.709) 5.717 1.923 ( -3.343 0.000 -8.511) 9.144 2.259 ( 8.964 0.000 6.276) 10.943 2.294 ( 4.308 0.000 12.144) 12.886 2.618 ( -2.725 0.000 1.031) 2.914 2.782 ( -5.524 0.000 1.613) 5.755 2.883 ( 1.692 0.000 3.777) 4.139 3.075 ( -1.499 0.000 4.121) 4.385 3.464 ( 5.350 0.000 -1.363) 5.521 3.586 ( 7.462 0.000 3.379) 8.192 3.691 ( 1.072 0.000 -0.389) 1.140 3.940 ( -5.749 0.000 -9.468) 11.077 4.199 ( -6.916 0.000 -2.466) 7.342 4.701 ( 0.854 0.000 1.552) 1.772 4.826 ( 3.165 0.000 -6.876) 7.569 4.979 ( -1.642 0.000 1.904) 2.514 5.195 ( -4.915 0.000 -4.477) 6.648 5.479 ( 1.737 0.000 -1.112) 2.063 5.492 ( -10.773 0.000 12.104) 16.203 5.716 ( -16.574 0.000 26.342) 31.123 5.733 ( 7.327 0.000 -6.945) 10.096 6.081 ( -2.186 0.000 1.515) 2.660 6.112 ( -0.515 0.000 -7.300) 7.318 6.256 ( -4.401 0.000 3.919) 5.893 6.394 ( 1.574 0.000 2.853) 3.258 6.740 ( 3.164 0.000 1.486) 3.496 7.108 ( 1.209 0.000 -1.790) 2.160 7.146 ( -0.757 0.000 8.435) 8.469 7.194 ( 5.808 0.000 0.768) 5.859 7.338 ( 3.587 0.000 1.354) 3.834 7.641 ( -0.045 0.000 1.286) 1.286 8.047 ( -11.449 0.000 -12.411) 16.886 8.291 ( -5.840 0.000 -9.297) 10.979 8.629 ( 5.023 0.000 9.896) 11.098 8.711 ( 8.241 0.000 10.120) 13.051 9.011 ( -1.079 0.000 -0.368) 1.140 9.173 ( 1.287 0.000 -16.199) 16.250 9.280 ( -1.792 0.000 -0.235) 1.808 9.352 ( -0.756 0.000 -0.973) 1.232 10.263 ( 1.154 0.000 -2.765) 2.996 10.279 ( 0.016 0.000 -0.676) 0.676 15.597 ( 2.012 0.000 1.804) 2.702 15.610 ( 2.140 0.000 -1.306) 2.507 15.901 ( 1.307 0.000 3.606) 3.835 16.103 ( 1.793 0.000 -14.613) 14.723 16.323 ( 2.859 0.000 -0.289) 2.874 16.475 ( -4.185 0.000 -4.675) 6.275 16.890 ( -2.175 0.000 0.988) 2.389 17.245 ( 1.048 0.000 13.063) 13.105 17.438 ( -4.302 0.000 0.016) 4.302 17.904 ( -4.427 0.000 -2.788) 5.231 17.982 ( -9.251 0.000 42.586) 43.579 18.092 ( 4.458 0.000 -5.042) 6.730 18.190 ( -0.385 0.000 1.676) 1.719 18.315 ( -2.037 0.000 -0.862) 2.212 18.970 ( 8.517 0.000 -16.876) 18.903 19.153 ( -8.825 0.000 -2.823) 9.265 ======================= Grid point 2 (3/130) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 11.445 0.000 8.162) 14.057 0.645 ( 15.787 0.000 9.861) 18.614 0.839 ( 8.058 0.000 0.685) 8.087 1.307 ( 13.364 0.000 13.919) 19.295 1.383 ( 10.542 0.000 -0.166) 10.544 1.636 ( -3.118 0.000 -10.644) 11.091 1.707 ( -2.181 0.000 -14.333) 14.498 1.837 ( 2.962 0.000 -0.904) 3.097 1.882 ( 6.243 0.000 -8.212) 10.315 1.903 ( -0.766 0.000 -1.550) 1.729 2.142 ( 10.549 0.000 4.584) 11.502 2.410 ( 0.485 0.000 4.439) 4.465 2.505 ( 11.361 0.000 7.420) 13.569 2.556 ( -4.540 0.000 1.730) 4.859 2.822 ( 8.442 0.000 8.106) 11.703 2.940 ( 2.655 0.000 1.499) 3.049 3.086 ( -0.513 0.000 6.131) 6.152 3.480 ( -2.639 0.000 -13.629) 13.882 3.609 ( -3.255 0.000 0.000) 3.255 3.796 ( 4.629 0.000 2.589) 5.304 3.828 ( 2.078 0.000 -1.103) 2.353 4.038 ( -8.325 0.000 -3.447) 9.010 4.731 ( 0.980 0.000 1.102) 1.475 4.756 ( -3.480 0.000 -11.233) 11.760 4.947 ( -3.815 0.000 4.451) 5.862 5.125 ( 1.360 0.000 -3.728) 3.968 5.357 ( -12.484 0.000 10.409) 16.254 5.491 ( -2.183 0.000 0.587) 2.260 5.593 ( -8.750 0.000 12.213) 15.024 5.793 ( 3.361 0.000 -5.148) 6.148 5.954 ( -7.375 0.000 -1.942) 7.627 6.154 ( 6.253 0.000 -5.771) 8.509 6.183 ( -5.954 0.000 3.872) 7.102 6.436 ( 0.757 0.000 2.346) 2.465 6.812 ( 3.120 0.000 2.248) 3.845 7.127 ( 2.221 0.000 -2.978) 3.715 7.140 ( -1.340 0.000 0.706) 1.514 7.407 ( 3.196 0.000 -1.890) 3.713 7.410 ( 10.295 0.000 13.652) 17.099 7.566 ( -8.135 0.000 -6.779) 10.589 7.860 ( -1.425 0.000 0.834) 1.651 8.141 ( -3.876 0.000 -8.936) 9.740 8.770 ( 4.563 0.000 6.313) 7.790 8.838 ( -0.240 0.000 -0.045) 0.244 9.035 ( 3.553 0.000 6.311) 7.242 9.062 ( -3.379 0.000 -11.493) 11.979 9.232 ( -3.216 0.000 -0.182) 3.221 9.316 ( -2.542 0.000 -0.776) 2.657 10.270 ( 0.765 0.000 -0.527) 0.929 10.275 ( 0.138 0.000 -1.032) 1.041 15.649 ( 3.284 0.000 -2.439) 4.091 15.674 ( 4.727 0.000 3.615) 5.951 15.990 ( 4.533 0.000 8.422) 9.564 16.013 ( -2.096 0.000 -10.261) 10.473 16.381 ( -3.396 0.000 -2.160) 4.025 16.388 ( 4.188 0.000 -0.180) 4.192 16.849 ( -3.338 0.000 2.168) 3.980 17.183 ( -10.370 0.000 4.436) 11.279 17.534 ( 8.441 0.000 6.771) 10.821 17.748 ( -8.668 0.000 -9.154) 12.607 18.084 ( -1.316 0.000 16.903) 16.954 18.108 ( 1.132 0.000 -9.611) 9.678 18.192 ( -0.785 0.000 1.878) 2.036 18.297 ( 1.266 0.000 -0.235) 1.288 18.913 ( -14.273 0.000 -3.360) 14.663 19.035 ( 5.024 0.000 -1.349) 5.202 ======================= Grid point 3 (4/130) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 13.428 0.000 7.799) 15.528 0.942 ( 5.682 0.000 -1.494) 5.876 1.003 ( 15.536 0.000 10.012) 18.482 1.449 ( -6.753 0.000 -7.861) 10.363 1.533 ( -5.346 0.000 -17.391) 18.194 1.564 ( 11.559 0.000 9.040) 14.674 1.687 ( 12.583 0.000 5.258) 13.638 1.856 ( -2.381 0.000 -1.058) 2.605 1.879 ( 3.192 0.000 -3.190) 4.512 2.015 ( 7.279 0.000 -4.144) 8.376 2.333 ( 8.230 0.000 2.780) 8.687 2.428 ( 1.301 0.000 0.961) 1.618 2.468 ( -3.425 0.000 0.163) 3.429 2.735 ( 7.294 0.000 4.640) 8.645 3.001 ( 3.612 0.000 -1.902) 4.082 3.067 ( 8.849 0.000 5.546) 10.444 3.155 ( 3.774 0.000 5.118) 6.359 3.257 ( -6.818 0.000 -13.580) 15.196 3.518 ( -7.719 0.000 1.804) 7.927 3.807 ( -12.034 0.000 -12.157) 17.106 3.861 ( 3.014 0.000 4.917) 5.767 3.961 ( 8.334 0.000 3.802) 9.161 4.691 ( 3.223 0.000 -3.478) 4.742 4.723 ( -1.438 0.000 -3.754) 4.020 4.926 ( -3.929 0.000 11.237) 11.905 5.145 ( 1.587 0.000 -2.399) 2.876 5.182 ( -11.573 0.000 5.490) 12.810 5.366 ( -10.049 0.000 1.515) 10.163 5.592 ( 0.734 0.000 3.257) 3.339 5.762 ( -2.793 0.000 -8.017) 8.490 5.853 ( -2.707 0.000 2.300) 3.552 6.101 ( -5.489 0.000 2.994) 6.253 6.233 ( 5.868 0.000 -4.921) 7.658 6.450 ( -0.870 0.000 2.752) 2.886 6.882 ( 2.986 0.000 2.495) 3.891 7.086 ( -5.219 0.000 -9.170) 10.551 7.118 ( -0.892 0.000 -1.399) 1.660 7.354 ( -0.468 0.000 -7.684) 7.699 7.475 ( 0.336 0.000 0.711) 0.787 7.707 ( 11.220 0.000 15.634) 19.244 7.937 ( 4.403 0.000 8.333) 9.424 8.042 ( -1.819 0.000 -4.955) 5.278 8.750 ( -5.631 0.000 -6.171) 8.354 8.851 ( -1.002 0.000 -3.552) 3.691 8.929 ( -0.987 0.000 -4.965) 5.062 9.163 ( 0.657 0.000 6.766) 6.797 9.173 ( 0.283 0.000 0.780) 0.829 9.255 ( -3.517 0.000 -0.297) 3.529 10.272 ( 0.271 0.000 -0.957) 0.994 10.284 ( 0.825 0.000 0.280) 0.871 15.679 ( 1.460 0.000 -3.205) 3.521 15.821 ( 8.254 0.000 5.669) 10.013 15.932 ( 0.466 0.000 -7.339) 7.354 16.175 ( 7.638 0.000 13.417) 15.439 16.314 ( -3.889 0.000 0.780) 3.967 16.463 ( 3.992 0.000 -0.230) 3.999 16.804 ( -3.331 0.000 3.350) 4.724 17.032 ( -7.370 0.000 0.501) 7.387 17.484 ( -11.605 0.000 -13.138) 17.529 17.723 ( 7.214 0.000 5.636) 9.154 17.970 ( -7.653 0.000 -16.595) 18.275 18.132 ( -4.137 0.000 10.212) 11.018 18.202 ( 2.107 0.000 0.541) 2.176 18.346 ( 3.859 0.000 -1.518) 4.147 18.659 ( -10.972 0.000 1.238) 11.042 19.124 ( 3.804 0.000 3.209) 4.977 ======================= Grid point 4 (5/130) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 10.623 0.000 3.398) 11.153 1.022 ( 4.230 0.000 -1.539) 4.502 1.307 ( -4.936 0.000 -11.416) 12.437 1.327 ( 12.102 0.000 8.997) 15.079 1.363 ( -1.846 0.000 -0.341) 1.877 1.714 ( -4.245 0.000 -3.081) 5.245 1.831 ( 9.925 0.000 8.239) 12.899 1.903 ( 0.456 0.000 -3.878) 3.905 1.949 ( 6.276 0.000 3.244) 7.065 1.986 ( -4.499 0.000 -5.862) 7.390 2.448 ( 2.645 0.000 -0.631) 2.719 2.508 ( 5.567 0.000 5.359) 7.728 2.527 ( 9.324 0.000 4.464) 10.338 2.814 ( -0.501 0.000 -0.426) 0.658 2.953 ( -1.452 0.000 -15.597) 15.664 3.103 ( -6.585 0.000 -5.608) 8.649 3.126 ( 0.226 0.000 1.542) 1.559 3.320 ( -11.131 0.000 -4.777) 12.113 3.343 ( 7.116 0.000 6.830) 9.863 3.557 ( -6.223 0.000 -2.846) 6.843 4.040 ( 9.958 0.000 7.629) 12.545 4.120 ( 6.106 0.000 2.382) 6.554 4.649 ( -2.193 0.000 -5.814) 6.214 4.773 ( 4.628 0.000 0.953) 4.725 4.901 ( -8.389 0.000 12.592) 15.130 5.072 ( -1.697 0.000 0.687) 1.831 5.129 ( -1.235 0.000 -3.460) 3.673 5.196 ( -7.758 0.000 -0.645) 7.785 5.624 ( 0.961 0.000 1.156) 1.503 5.652 ( -3.391 0.000 -4.713) 5.806 5.841 ( -0.646 0.000 1.134) 1.305 6.029 ( -3.808 0.000 1.623) 4.140 6.293 ( 3.431 0.000 -2.749) 4.396 6.449 ( -0.784 0.000 2.077) 2.220 6.885 ( -7.010 0.000 -8.687) 11.163 6.955 ( 3.367 0.000 2.340) 4.100 7.085 ( -1.620 0.000 -2.209) 2.740 7.370 ( 3.208 0.000 -2.106) 3.837 7.482 ( -0.004 0.000 -0.046) 0.047 7.928 ( 2.675 0.000 0.706) 2.766 8.080 ( 7.018 0.000 12.840) 14.633 8.098 ( 6.614 0.000 9.203) 11.333 8.580 ( -7.497 0.000 -7.849) 10.854 8.676 ( -7.376 0.000 -13.219) 15.137 8.977 ( 2.781 0.000 1.607) 3.212 9.120 ( -2.058 0.000 0.428) 2.102 9.193 ( -2.971 0.000 -0.115) 2.973 9.265 ( 2.294 0.000 3.963) 4.579 10.272 ( 0.230 0.000 -0.554) 0.600 10.300 ( 0.606 0.000 0.359) 0.704 15.660 ( -0.827 0.000 -2.388) 2.527 15.942 ( 3.902 0.000 -4.323) 5.824 16.037 ( 10.477 0.000 6.689) 12.430 16.246 ( -4.450 0.000 2.054) 4.901 16.398 ( 5.248 0.000 12.599) 13.648 16.509 ( 0.938 0.000 -1.438) 1.716 16.800 ( 1.052 0.000 6.174) 6.263 16.934 ( -3.301 0.000 -0.549) 3.346 17.204 ( -9.036 0.000 -11.004) 14.238 17.642 ( -13.410 0.000 -19.092) 23.331 17.863 ( 5.596 0.000 1.904) 5.911 18.086 ( -5.422 0.000 4.882) 7.296 18.255 ( 2.178 0.000 1.383) 2.580 18.397 ( 2.736 0.000 -1.891) 3.326 18.549 ( -3.836 0.000 3.394) 5.122 19.201 ( 2.191 0.000 2.731) 3.501 ======================= Grid point 5 (6/130) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 -0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 -0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 -0.000) 0.000 2.469 ( -0.000 0.000 0.000) 0.000 2.650 ( -0.000 0.000 -0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.806 ( -0.000 0.000 -0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 -0.000) 0.000 3.216 ( 0.000 0.000 -0.000) 0.000 3.443 ( 0.000 0.000 -0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 -0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 -0.000) 0.000 5.094 ( -0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 -0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 -0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 7.025 ( -0.000 0.000 -0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 -0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 -0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 -0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 15.973 ( 0.000 0.000 0.000) 0.000 16.203 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.524 ( 0.000 0.000 0.000) 0.000 16.888 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 -0.000) 0.000 17.394 ( 0.000 0.000 0.000) 0.000 17.936 ( 0.000 0.000 0.000) 0.000 18.034 ( -0.000 0.000 0.000) 0.000 18.281 ( 0.000 0.000 0.000) 0.000 18.416 ( 0.000 0.000 -0.000) 0.000 18.530 ( 0.000 0.000 -0.000) 0.000 19.231 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/130) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( 0.000 9.397 0.000) 9.397 0.291 ( 0.000 14.200 0.000) 14.200 0.401 ( 0.000 19.180 0.000) 19.180 0.926 ( 0.000 6.300 0.000) 6.300 1.419 ( 0.000 -3.393 0.000) 3.393 1.525 ( 0.000 1.449 0.000) 1.449 1.679 ( 0.000 1.391 0.000) 1.391 1.891 ( 0.000 -0.507 0.000) 0.507 1.896 ( 0.000 -1.708 0.000) 1.708 1.967 ( 0.000 0.609 0.000) 0.609 1.978 ( 0.000 2.004 0.000) 2.004 2.096 ( 0.000 -0.452 0.000) 0.452 2.301 ( 0.000 2.032 0.000) 2.032 2.622 ( 0.000 -3.265 0.000) 3.265 2.743 ( 0.000 -0.201 0.000) 0.201 2.945 ( 0.000 5.761 0.000) 5.761 3.012 ( 0.000 -5.932 0.000) 5.932 3.521 ( 0.000 4.118 0.000) 4.118 3.612 ( 0.000 -0.796 0.000) 0.796 3.691 ( 0.000 -0.273 0.000) 0.273 3.987 ( 0.000 -4.415 0.000) 4.415 4.227 ( 0.000 -1.420 0.000) 1.420 4.652 ( 0.000 -2.363 0.000) 2.363 4.858 ( 0.000 4.371 0.000) 4.371 5.023 ( 0.000 3.493 0.000) 3.493 5.070 ( 0.000 -2.081 0.000) 2.081 5.329 ( 0.000 0.276 0.000) 0.276 5.542 ( 0.000 0.986 0.000) 0.986 5.572 ( 0.000 -0.462 0.000) 0.462 5.742 ( 0.000 0.923 0.000) 0.923 6.099 ( 0.000 2.271 0.000) 2.271 6.245 ( 0.000 -2.872 0.000) 2.872 6.347 ( 0.000 -1.390 0.000) 1.390 6.459 ( 0.000 1.427 0.000) 1.427 6.715 ( 0.000 1.279 0.000) 1.279 7.113 ( 0.000 2.191 0.000) 2.191 7.126 ( 0.000 1.500 0.000) 1.500 7.151 ( 0.000 -1.892 0.000) 1.892 7.299 ( 0.000 0.326 0.000) 0.326 7.651 ( 0.000 1.894 0.000) 1.894 8.176 ( 0.000 -6.377 0.000) 6.377 8.453 ( 0.000 -1.754 0.000) 1.754 8.479 ( 0.000 5.174 0.000) 5.174 8.857 ( 0.000 -0.332 0.000) 0.332 9.110 ( 0.000 -1.447 0.000) 1.447 9.125 ( 0.000 -0.016 0.000) 0.016 9.288 ( 0.000 -0.904 0.000) 0.904 9.354 ( 0.000 -0.599 0.000) 0.599 10.232 ( 0.000 2.216 0.000) 2.216 10.674 ( 0.000 -0.802 0.000) 0.802 15.576 ( 0.000 0.300 0.000) 0.300 15.592 ( 0.000 -0.142 0.000) 0.142 15.904 ( 0.000 0.384 0.000) 0.384 16.033 ( 0.000 -1.722 0.000) 1.722 16.322 ( 0.000 2.291 0.000) 2.291 16.556 ( 0.000 1.128 0.000) 1.128 16.849 ( 0.000 -0.562 0.000) 0.562 16.888 ( 0.000 -1.931 0.000) 1.931 17.172 ( 0.000 1.165 0.000) 1.165 17.510 ( 0.000 -0.422 0.000) 0.422 18.053 ( 0.000 -0.478 0.000) 0.478 18.070 ( 0.000 -1.484 0.000) 1.484 18.179 ( 0.000 -0.777 0.000) 0.777 18.296 ( 0.000 -0.697 0.000) 0.697 18.488 ( 0.000 0.788 0.000) 0.788 19.199 ( 0.000 -4.411 0.000) 4.411 ======================= Grid point 12 (8/130) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 5.630 11.911 4.755) 14.007 0.415 ( 10.649 9.205 5.742) 15.202 0.627 ( 18.067 7.317 7.839) 21.009 1.030 ( 8.605 5.382 9.178) 13.684 1.364 ( -2.509 -0.349 -5.195) 5.780 1.559 ( 9.412 0.915 -2.807) 9.864 1.836 ( 3.729 -1.407 -0.717) 4.050 1.858 ( -0.854 -0.182 -1.857) 2.052 1.908 ( 2.582 0.498 -3.361) 4.267 1.931 ( 1.374 0.760 -4.871) 5.118 1.952 ( -1.548 2.178 -4.142) 4.929 2.209 ( 7.824 -2.322 7.340) 10.977 2.359 ( 5.963 3.904 7.251) 10.167 2.617 ( -0.383 -2.573 1.214) 2.871 2.688 ( -5.185 -2.237 0.104) 5.648 2.916 ( 0.777 0.097 -0.287) 0.834 3.057 ( -0.869 -0.558 6.995) 7.071 3.525 ( -0.218 3.123 -2.385) 3.936 3.605 ( 2.781 1.157 0.757) 3.105 3.682 ( 2.618 -0.503 -0.800) 2.783 3.943 ( -2.798 0.025 -4.034) 4.909 4.179 ( -5.891 -1.837 -2.373) 6.611 4.663 ( 0.934 -2.601 0.402) 2.793 4.879 ( 2.679 3.972 -2.507) 5.407 5.001 ( -2.159 2.097 -0.677) 3.085 5.152 ( -3.539 -4.187 1.385) 5.654 5.362 ( 1.472 -6.623 4.552) 8.170 5.517 ( -4.671 1.201 3.104) 5.735 5.586 ( -1.497 -1.182 9.404) 9.595 5.751 ( 2.064 0.229 -2.126) 2.972 6.109 ( 2.218 0.916 -4.419) 5.028 6.187 ( -7.070 0.730 0.220) 7.111 6.321 ( -9.072 3.215 4.235) 10.515 6.391 ( 2.848 1.275 -0.554) 3.169 6.749 ( 2.970 0.968 1.413) 3.429 7.115 ( -0.284 0.174 0.581) 0.670 7.136 ( -0.458 -0.691 3.058) 3.169 7.206 ( 6.159 1.302 2.268) 6.691 7.342 ( 3.517 0.227 1.318) 3.763 7.673 ( 0.585 2.562 2.089) 3.357 8.045 ( -10.352 -3.095 -9.797) 14.585 8.308 ( -6.579 4.130 -10.602) 13.143 8.580 ( 6.018 -2.497 8.911) 11.039 8.824 ( 0.051 4.651 5.884) 7.500 9.007 ( -2.733 -0.275 -0.074) 2.747 9.165 ( 1.143 -0.711 -10.070) 10.160 9.278 ( -1.833 -0.694 -1.108) 2.252 9.354 ( -0.066 -0.011 -0.094) 0.115 10.229 ( -0.224 1.008 0.039) 1.033 10.438 ( -7.707 7.582 -5.052) 11.933 15.600 ( 1.996 0.294 1.671) 2.619 15.610 ( 2.412 0.092 -1.205) 2.697 15.905 ( 0.796 0.341 2.961) 3.085 16.069 ( 2.171 -2.846 -10.420) 11.018 16.346 ( 2.528 2.069 -1.036) 3.427 16.488 ( -4.013 1.250 -4.472) 6.137 16.872 ( -2.005 -1.837 0.872) 2.856 17.189 ( -3.474 -10.196 15.299) 18.710 17.324 ( 9.331 -4.508 4.727) 11.391 17.733 ( 10.114 -7.598 20.671) 24.235 18.006 ( -5.574 0.114 9.433) 10.957 18.093 ( 3.330 -0.587 -4.630) 5.733 18.181 ( 0.033 -0.722 0.818) 1.091 18.319 ( -1.131 0.039 -0.586) 1.275 18.642 ( 18.490 -14.224 -9.741) 25.280 19.109 ( -8.561 -4.269 -3.035) 10.036 ======================= Grid point 13 (9/130) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 8.758 9.263 6.219) 14.184 0.698 ( 13.921 4.916 9.717) 17.674 0.899 ( 8.683 5.484 1.398) 10.365 1.316 ( 10.067 0.562 11.801) 15.522 1.408 ( 12.542 2.929 -0.163) 12.881 1.655 ( -2.481 1.630 -10.203) 10.626 1.741 ( -3.234 2.918 -14.077) 14.735 1.823 ( 3.482 -1.220 -0.627) 3.742 1.869 ( 4.393 -0.052 -5.026) 6.676 1.940 ( 2.377 2.307 -3.688) 4.957 2.134 ( 9.794 -0.843 4.409) 10.773 2.389 ( 2.575 -1.729 5.225) 6.076 2.512 ( 8.343 0.118 6.366) 10.495 2.574 ( -5.309 1.591 0.382) 5.556 2.744 ( 9.984 -4.739 6.786) 12.968 2.965 ( 4.325 -0.189 0.680) 4.382 3.078 ( -0.904 0.013 6.503) 6.565 3.466 ( -4.421 -0.752 -11.736) 12.564 3.597 ( -0.978 -0.832 0.643) 1.436 3.782 ( 4.974 -0.134 2.764) 5.692 3.892 ( -1.167 3.617 -3.222) 4.982 4.034 ( -6.626 -0.225 -2.403) 7.052 4.670 ( 0.045 -2.431 -2.145) 3.242 4.851 ( -3.234 5.718 -6.867) 9.503 4.951 ( -3.272 0.455 4.614) 5.675 5.100 ( 0.655 -2.720 -1.065) 2.993 5.330 ( -8.675 -2.814 7.413) 11.752 5.467 ( -5.549 -1.920 4.634) 7.480 5.585 ( -2.121 1.702 6.118) 6.695 5.789 ( 3.129 -0.396 -4.331) 5.358 5.996 ( -9.147 1.579 -2.126) 9.523 6.143 ( -0.531 0.330 -0.634) 0.891 6.227 ( -1.333 2.906 -1.060) 3.368 6.439 ( 1.118 0.412 2.004) 2.331 6.820 ( 3.118 0.764 2.227) 3.907 7.119 ( -0.222 -1.167 -0.318) 1.229 7.142 ( 1.567 0.576 -1.902) 2.531 7.380 ( 6.606 -1.402 7.130) 9.821 7.416 ( 4.317 -0.283 1.331) 4.527 7.602 ( -7.854 2.406 -6.727) 10.618 7.893 ( 0.217 3.150 3.645) 4.822 8.149 ( -3.993 1.444 -9.083) 10.026 8.744 ( 5.334 -2.237 7.326) 9.334 8.842 ( -2.321 -0.417 -2.678) 3.568 9.004 ( 1.722 -1.117 0.651) 2.153 9.091 ( -2.050 1.040 -4.937) 5.446 9.222 ( -3.253 -0.929 -0.779) 3.471 9.335 ( -2.127 1.448 0.523) 2.625 10.229 ( 0.364 -0.677 -0.136) 0.780 10.347 ( -1.971 3.633 -1.533) 4.408 15.652 ( 3.396 0.269 -2.016) 3.958 15.680 ( 4.884 0.618 3.202) 5.873 15.978 ( 3.223 -1.062 4.990) 6.035 16.003 ( -1.078 -1.089 -6.270) 6.455 16.379 ( -0.042 0.676 -2.856) 2.935 16.419 ( 0.761 2.248 0.270) 2.389 16.833 ( -3.073 -1.508 2.020) 3.975 17.113 ( -8.404 -6.588 3.535) 11.248 17.530 ( 8.696 0.038 7.824) 11.698 17.758 ( -7.383 0.684 -7.158) 10.306 18.063 ( -0.175 -1.897 15.692) 15.807 18.096 ( 0.465 -1.276 -8.570) 8.677 18.188 ( 0.030 -0.288 0.203) 0.354 18.297 ( 0.545 -0.068 0.098) 0.558 18.859 ( -3.980 -8.078 -3.008) 9.494 18.895 ( 0.918 -8.067 -0.332) 8.126 ======================= Grid point 14 (10/130) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 12.312 6.162 6.953) 15.424 1.010 ( 9.151 5.121 3.897) 11.187 1.038 ( 11.135 4.167 5.778) 13.219 1.464 ( -5.438 1.106 -5.689) 7.947 1.502 ( 0.682 -0.967 -9.130) 9.206 1.616 ( 4.314 3.352 -0.295) 5.471 1.712 ( 12.374 2.037 4.272) 13.248 1.827 ( -1.151 -0.716 -3.603) 3.849 1.929 ( 1.797 2.992 -1.156) 3.677 2.026 ( 7.233 1.089 -4.366) 8.518 2.307 ( 6.886 -2.265 2.189) 7.573 2.416 ( 1.476 -1.104 0.812) 2.015 2.499 ( -1.994 2.587 0.841) 3.372 2.730 ( 8.057 -0.523 5.028) 9.511 2.943 ( 6.774 -4.252 1.505) 8.138 3.060 ( 4.768 -1.895 -4.604) 6.894 3.138 ( 2.844 -1.328 5.081) 5.973 3.291 ( -4.588 3.459 -4.686) 7.414 3.544 ( -6.570 2.198 0.126) 6.929 3.790 ( -6.098 -2.349 -8.754) 10.924 3.858 ( -1.478 0.369 2.345) 2.796 3.975 ( 5.434 1.058 2.078) 5.913 4.669 ( 2.588 -0.763 -2.715) 3.828 4.766 ( -1.622 2.886 -3.856) 5.082 4.941 ( -4.151 1.356 11.420) 12.226 5.110 ( -2.228 -2.977 1.783) 4.124 5.200 ( -6.139 1.314 0.347) 6.287 5.359 ( -8.259 -0.559 2.755) 8.724 5.605 ( 0.776 1.644 2.124) 2.796 5.765 ( -2.704 0.219 -6.475) 7.021 5.865 ( -3.735 0.859 1.507) 4.118 6.082 ( -5.140 -1.663 2.008) 5.764 6.258 ( 4.624 2.187 -4.339) 6.708 6.454 ( -0.833 0.444 2.560) 2.728 6.889 ( 2.980 0.780 2.300) 3.844 7.080 ( -3.075 -0.419 -6.709) 7.392 7.139 ( -1.144 1.777 -3.063) 3.721 7.362 ( -0.848 0.637 -7.446) 7.522 7.467 ( 0.275 -0.753 1.266) 1.499 7.658 ( 8.610 -3.804 12.208) 15.415 7.993 ( 2.588 3.748 3.580) 5.793 8.065 ( 1.289 3.258 1.345) 3.753 8.720 ( -6.383 -2.735 -7.971) 10.571 8.848 ( 1.330 -0.535 0.696) 1.594 8.943 ( -2.078 1.376 -6.360) 6.831 9.124 ( 1.337 -2.767 4.530) 5.474 9.162 ( -2.167 -0.975 -0.361) 2.404 9.297 ( -2.480 2.702 2.249) 4.302 10.240 ( 0.960 -1.364 -0.327) 1.700 10.317 ( -0.904 1.615 -0.328) 1.880 15.685 ( 1.512 0.570 -3.043) 3.445 15.828 ( 8.294 0.615 5.282) 9.852 15.924 ( 0.448 -0.681 -6.542) 6.592 16.150 ( 6.493 -2.202 12.367) 14.140 16.335 ( -2.525 1.848 0.862) 3.246 16.477 ( 3.538 1.330 0.105) 3.781 16.793 ( -3.028 -1.083 3.207) 4.542 16.987 ( -6.244 -4.237 0.346) 7.554 17.497 ( -11.475 1.125 -12.970) 17.354 17.727 ( 6.425 0.328 5.165) 8.251 17.957 ( -7.680 -1.228 -15.542) 17.379 18.116 ( -3.803 -1.495 9.768) 10.588 18.201 ( 2.284 -0.005 0.229) 2.296 18.340 ( 3.725 -0.550 -1.167) 3.942 18.630 ( -10.224 -2.832 1.011) 10.657 19.045 ( 5.980 -7.188 4.049) 10.190 ======================= Grid point 15 (11/130) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 9.531 4.820 2.245) 10.914 1.113 ( 4.952 7.309 -0.088) 8.829 1.288 ( 1.545 -0.329 -3.083) 3.465 1.357 ( 1.682 1.606 -3.240) 3.988 1.392 ( 1.631 3.035 4.951) 6.032 1.735 ( -4.187 1.956 -3.369) 5.719 1.835 ( 9.531 0.407 7.504) 12.137 1.888 ( 4.182 -0.851 -1.300) 4.462 1.939 ( -2.821 -0.346 -4.464) 5.292 2.034 ( 0.829 3.452 -1.526) 3.864 2.427 ( 5.199 -1.939 -0.057) 5.549 2.482 ( 4.127 -1.609 4.404) 6.246 2.564 ( 7.252 2.706 4.255) 8.833 2.831 ( 1.043 1.550 1.131) 2.184 2.927 ( -1.876 -2.207 -15.118) 15.393 3.077 ( -1.189 -1.941 -3.880) 4.498 3.148 ( -1.682 1.482 0.528) 2.303 3.322 ( -3.569 0.312 -0.149) 3.585 3.383 ( -1.144 3.387 1.867) 4.033 3.567 ( -7.285 1.019 -3.218) 8.029 4.007 ( 9.483 -3.083 6.933) 12.145 4.104 ( 5.299 -1.676 2.086) 5.936 4.653 ( -1.275 0.352 -5.608) 5.762 4.784 ( 3.287 0.999 0.984) 3.573 4.891 ( -9.787 -1.132 10.057) 14.079 5.057 ( -1.346 -0.909 1.377) 2.129 5.155 ( -0.396 2.377 -2.250) 3.297 5.230 ( -5.963 2.564 -0.152) 6.493 5.616 ( -1.151 0.169 -0.718) 1.367 5.676 ( -1.455 1.559 -2.352) 3.175 5.838 ( -1.184 -0.203 0.916) 1.511 6.011 ( -3.445 -1.617 1.373) 4.046 6.307 ( 3.049 1.287 -2.639) 4.233 6.451 ( -0.916 0.203 1.793) 2.024 6.909 ( -4.526 2.260 -7.016) 8.650 6.975 ( 2.073 1.744 1.152) 2.944 7.097 ( -1.778 1.223 -2.057) 2.982 7.373 ( 3.058 0.199 -2.138) 3.737 7.474 ( -0.032 -0.719 0.058) 0.722 7.887 ( 7.260 -5.409 9.031) 12.788 7.977 ( 0.208 -2.080 -0.128) 2.095 8.244 ( 7.926 7.815 12.592) 16.806 8.528 ( -7.808 -3.855 -9.543) 12.919 8.730 ( -6.466 3.995 -10.567) 13.017 8.967 ( 2.331 -0.988 1.484) 2.935 9.111 ( -1.339 -1.020 0.366) 1.723 9.157 ( -1.375 -2.481 0.625) 2.905 9.296 ( 0.149 1.897 3.125) 3.659 10.256 ( 0.911 -1.185 -0.439) 1.558 10.305 ( -0.510 0.178 0.244) 0.593 15.667 ( -0.796 0.721 -2.296) 2.535 15.932 ( 3.687 -0.908 -4.095) 5.585 16.043 ( 9.909 0.531 6.803) 12.031 16.246 ( -2.517 -0.080 2.805) 3.769 16.396 ( 4.173 -0.141 11.017) 11.781 16.520 ( 0.889 1.123 -1.095) 1.803 16.792 ( 1.098 -0.816 6.008) 6.162 16.904 ( -2.755 -2.884 -0.472) 4.016 17.213 ( -9.277 0.848 -11.285) 14.633 17.617 ( -12.969 -2.370 -18.567) 22.771 17.871 ( 4.673 0.759 1.938) 5.115 18.076 ( -4.994 -0.999 4.681) 6.917 18.254 ( 2.180 -0.098 1.173) 2.478 18.395 ( 3.020 -0.171 -1.664) 3.453 18.526 ( -3.763 -2.169 3.270) 5.436 19.151 ( 2.982 -4.782 3.059) 6.412 ======================= Grid point 16 (12/130) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 4.473 -0.000) 4.473 1.188 ( 0.000 8.646 0.000) 8.646 1.194 ( -0.000 -0.422 -0.000) 0.422 1.420 ( -0.000 2.007 -0.000) 2.007 1.516 ( 0.000 1.766 0.000) 1.766 1.655 ( -0.000 1.938 -0.000) 1.938 1.821 ( 0.000 -0.072 0.000) 0.072 1.926 ( 0.000 -1.192 0.000) 1.192 1.971 ( 0.000 -0.287 0.000) 0.287 2.050 ( 0.000 3.180 -0.000) 3.180 2.464 ( -0.000 -0.566 -0.000) 0.566 2.592 ( 0.000 -4.488 0.000) 4.488 2.725 ( -0.000 0.007 0.000) 0.007 2.787 ( 0.000 0.091 0.000) 0.091 2.840 ( -0.000 3.484 -0.000) 3.484 2.946 ( -0.000 3.020 0.000) 3.020 3.147 ( 0.000 0.667 -0.000) 0.667 3.244 ( -0.000 2.282 -0.000) 2.282 3.445 ( -0.000 0.095 -0.000) 0.095 3.503 ( -0.000 0.353 -0.000) 0.353 4.136 ( -0.000 -4.326 -0.000) 4.326 4.170 ( -0.000 -2.039 0.000) 2.039 4.617 ( -0.000 1.125 0.000) 1.125 4.803 ( 0.000 -2.245 -0.000) 2.245 4.827 ( 0.000 -0.667 -0.000) 0.667 5.058 ( -0.000 -0.647 0.000) 0.647 5.142 ( 0.000 3.716 -0.000) 3.716 5.170 ( 0.000 3.976 -0.000) 3.976 5.587 ( -0.000 -0.450 0.000) 0.450 5.670 ( -0.000 2.248 0.000) 2.248 5.829 ( 0.000 -0.852 0.000) 0.852 5.984 ( 0.000 -1.241 0.000) 1.241 6.328 ( 0.000 1.022 0.000) 1.022 6.448 ( 0.000 -0.027 0.000) 0.027 6.828 ( 0.000 4.034 0.000) 4.034 7.038 ( -0.000 0.544 -0.000) 0.544 7.045 ( 0.000 1.799 0.000) 1.799 7.398 ( -0.000 0.073 0.000) 0.073 7.472 ( 0.000 -0.714 0.000) 0.714 7.937 ( 0.000 0.265 0.000) 0.265 8.061 ( 0.000 -9.590 0.000) 9.590 8.387 ( -0.000 -3.507 -0.000) 3.507 8.420 ( -0.000 7.897 -0.000) 7.897 8.575 ( 0.000 4.980 0.000) 4.980 8.995 ( 0.000 -1.570 0.000) 1.570 9.106 ( 0.000 0.128 0.000) 0.128 9.134 ( -0.000 -2.248 0.000) 2.248 9.312 ( 0.000 0.834 0.000) 0.834 10.263 ( 0.000 -0.814 -0.000) 0.814 10.301 ( -0.000 -0.580 0.000) 0.580 15.650 ( 0.000 0.784 -0.000) 0.784 15.961 ( 0.000 -1.189 -0.000) 1.189 16.174 ( 0.000 -0.953 0.000) 0.953 16.251 ( 0.000 2.732 0.000) 2.732 16.430 ( 0.000 -0.480 0.000) 0.480 16.529 ( 0.000 0.609 0.000) 0.609 16.876 ( -0.000 -2.589 -0.000) 2.589 16.879 ( 0.000 -0.876 0.000) 0.876 17.083 ( 0.000 0.439 -0.000) 0.439 17.374 ( -0.000 -1.903 -0.000) 1.903 17.935 ( 0.000 -0.029 0.000) 0.029 18.029 ( -0.000 -0.483 0.000) 0.483 18.279 ( 0.000 -0.209 0.000) 0.209 18.419 ( -0.000 0.370 0.000) 0.370 18.506 ( 0.000 -2.321 -0.000) 2.321 19.189 ( -0.000 -4.098 0.000) 4.098 ======================= Grid point 22 (13/130) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 9.379 0.000) 9.379 0.563 ( 0.000 12.873 0.000) 12.873 0.748 ( 0.000 14.836 0.000) 14.836 1.058 ( 0.000 5.190 0.000) 5.190 1.357 ( 0.000 -1.392 0.000) 1.392 1.563 ( 0.000 2.068 0.000) 2.068 1.708 ( 0.000 1.288 0.000) 1.288 1.871 ( 0.000 -0.593 0.000) 0.593 1.874 ( 0.000 -1.141 0.000) 1.141 1.980 ( 0.000 0.618 0.000) 0.618 2.015 ( 0.000 1.743 0.000) 1.743 2.092 ( 0.000 0.254 0.000) 0.254 2.351 ( 0.000 2.422 0.000) 2.422 2.513 ( 0.000 -6.571 0.000) 6.571 2.796 ( 0.000 4.062 0.000) 4.062 2.885 ( 0.000 -5.962 0.000) 5.962 3.057 ( 0.000 5.367 0.000) 5.367 3.555 ( 0.000 -2.014 0.000) 2.014 3.638 ( 0.000 4.097 0.000) 4.097 3.687 ( 0.000 0.077 0.000) 0.077 3.876 ( 0.000 -6.185 0.000) 6.185 4.179 ( 0.000 -3.360 0.000) 3.360 4.621 ( 0.000 -0.454 0.000) 0.454 4.960 ( 0.000 5.676 0.000) 5.676 5.009 ( 0.000 -3.881 0.000) 3.881 5.108 ( 0.000 4.476 0.000) 4.476 5.328 ( 0.000 -0.558 0.000) 0.558 5.522 ( 0.000 -2.535 0.000) 2.535 5.607 ( 0.000 3.459 0.000) 3.459 5.774 ( 0.000 2.234 0.000) 2.234 6.156 ( 0.000 2.926 0.000) 2.926 6.175 ( 0.000 -3.884 0.000) 3.884 6.313 ( 0.000 -1.548 0.000) 1.548 6.483 ( 0.000 0.730 0.000) 0.730 6.751 ( 0.000 2.350 0.000) 2.350 7.099 ( 0.000 -3.095 0.000) 3.095 7.146 ( 0.000 1.597 0.000) 1.597 7.202 ( 0.000 5.314 0.000) 5.314 7.302 ( 0.000 -0.117 0.000) 0.117 7.701 ( 0.000 2.782 0.000) 2.782 8.044 ( 0.000 -6.193 0.000) 6.193 8.398 ( 0.000 -3.875 0.000) 3.875 8.582 ( 0.000 5.016 0.000) 5.016 8.851 ( 0.000 -0.166 0.000) 0.166 9.072 ( 0.000 -2.204 0.000) 2.204 9.122 ( 0.000 -0.401 0.000) 0.401 9.264 ( 0.000 -1.306 0.000) 1.306 9.336 ( 0.000 -1.169 0.000) 1.169 10.294 ( 0.000 3.807 0.000) 3.807 10.649 ( 0.000 -1.669 0.000) 1.669 15.584 ( 0.000 0.392 0.000) 0.392 15.589 ( 0.000 -0.143 0.000) 0.143 15.914 ( 0.000 0.593 0.000) 0.593 15.995 ( 0.000 -1.888 0.000) 1.888 16.380 ( 0.000 3.364 0.000) 3.364 16.587 ( 0.000 1.923 0.000) 1.923 16.832 ( 0.000 -1.135 0.000) 1.135 16.834 ( 0.000 -3.409 0.000) 3.409 17.206 ( 0.000 2.231 0.000) 2.231 17.494 ( 0.000 -1.266 0.000) 1.266 18.033 ( 0.000 -1.953 0.000) 1.953 18.040 ( 0.000 -0.879 0.000) 0.879 18.163 ( 0.000 -0.651 0.000) 0.651 18.275 ( 0.000 -1.311 0.000) 1.311 18.513 ( 0.000 1.739 0.000) 1.739 19.077 ( 0.000 -7.379 0.000) 7.379 ======================= Grid point 23 (14/130) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 11.567 7.768 4.287) 14.578 0.635 ( 4.861 11.187 4.260) 12.920 0.832 ( 8.250 11.488 5.406) 15.141 1.136 ( 5.852 3.658 7.053) 9.867 1.381 ( 2.659 2.717 -2.783) 4.711 1.574 ( 7.814 0.452 -2.766) 8.302 1.821 ( 2.880 -0.031 -2.649) 3.913 1.854 ( 1.533 -0.107 0.717) 1.696 1.909 ( 3.105 -0.276 -3.344) 4.571 1.951 ( -1.162 1.376 -4.481) 4.830 1.982 ( 0.857 0.691 -2.239) 2.495 2.180 ( 6.235 -0.492 4.276) 7.576 2.434 ( 7.789 3.121 5.034) 9.785 2.511 ( -0.906 -5.757 0.984) 5.911 2.719 ( -5.688 2.230 -1.016) 6.193 2.865 ( 0.902 -3.372 -2.489) 4.287 3.092 ( -0.699 3.407 6.345) 7.235 3.547 ( -0.377 -0.932 -1.393) 1.718 3.601 ( -3.351 -1.171 -4.632) 5.836 3.703 ( 4.463 2.649 0.082) 5.191 3.931 ( 2.862 -1.302 4.183) 5.233 4.126 ( -4.912 -3.495 -3.460) 6.951 4.625 ( 0.456 -0.799 1.218) 1.526 4.956 ( 1.123 3.128 0.043) 3.323 5.014 ( -2.907 -2.582 2.461) 4.601 5.111 ( -1.862 2.643 -1.523) 3.574 5.295 ( -0.602 -1.397 -2.827) 3.210 5.513 ( -3.822 -1.616 3.999) 5.763 5.621 ( 1.431 3.381 2.813) 4.625 5.768 ( -0.424 1.651 0.373) 1.745 6.107 ( -3.502 -1.601 -2.815) 4.770 6.196 ( -0.126 0.840 1.569) 1.784 6.314 ( -2.416 -1.312 2.591) 3.778 6.444 ( -0.725 2.176 -2.839) 3.650 6.779 ( 2.464 1.990 1.277) 3.415 7.084 ( -1.498 -2.565 2.323) 3.771 7.151 ( 0.802 1.711 -1.796) 2.607 7.248 ( 4.568 2.848 1.425) 5.568 7.342 ( 3.047 -0.227 1.265) 3.307 7.722 ( 0.124 1.319 0.371) 1.376 7.964 ( -4.088 -2.867 -3.989) 6.390 8.417 ( -6.081 5.182 -8.398) 11.591 8.524 ( 3.359 -2.854 7.050) 8.314 8.863 ( -0.064 -0.096 0.644) 0.654 9.002 ( -3.370 -0.293 0.731) 3.460 9.148 ( 0.981 -1.052 -4.970) 5.174 9.252 ( -1.616 -1.549 -0.941) 2.428 9.342 ( 0.431 -1.163 1.168) 1.704 10.278 ( -1.713 3.472 0.328) 3.885 10.531 ( -7.746 2.019 -3.514) 8.743 15.606 ( 2.022 0.220 0.820) 2.194 15.615 ( 3.016 0.346 -0.413) 3.064 15.913 ( -0.037 0.382 1.954) 1.992 16.009 ( 1.551 -2.767 -5.250) 6.134 16.398 ( 2.002 3.006 -1.457) 3.895 16.523 ( -3.607 2.159 -4.210) 5.950 16.819 ( -1.476 -3.311 0.673) 3.687 16.957 ( 2.459 -9.021 7.904) 12.243 17.325 ( 8.171 1.929 9.109) 12.388 17.643 ( 9.183 -3.032 14.870) 17.737 17.998 ( -2.955 -0.683 2.442) 3.894 18.068 ( 2.844 -1.654 -4.422) 5.512 18.168 ( 0.777 -0.515 -0.392) 1.011 18.305 ( 1.829 -1.454 -0.976) 2.533 18.507 ( 3.401 -1.786 -4.432) 5.865 18.991 ( -7.889 -7.110 -3.516) 11.187 ======================= Grid point 24 (15/130) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 6.358 9.932 4.568) 12.647 0.825 ( 10.941 7.359 9.455) 16.225 1.034 ( 8.511 7.399 2.812) 11.623 1.320 ( 7.540 -0.244 7.527) 10.657 1.498 ( 11.947 5.400 -0.025) 13.111 1.691 ( -0.939 1.734 -9.410) 9.614 1.772 ( -1.991 -1.359 -5.821) 6.301 1.821 ( 4.164 2.071 -7.397) 8.737 1.895 ( 4.044 2.927 -3.158) 5.907 1.981 ( 3.959 1.788 -2.983) 5.270 2.108 ( 7.942 -1.683 4.296) 9.185 2.352 ( 4.884 -1.817 5.877) 7.855 2.485 ( 2.893 -2.605 2.930) 4.872 2.609 ( -1.409 1.583 -0.366) 2.150 2.698 ( 9.045 0.220 5.175) 10.423 2.908 ( 4.537 -4.365 0.437) 6.311 3.099 ( -1.285 1.496 2.821) 3.442 3.479 ( -4.039 2.271 -5.615) 7.280 3.567 ( 1.412 -2.493 -0.889) 3.000 3.788 ( 3.552 0.595 1.155) 3.783 3.926 ( -6.598 -0.266 -5.543) 8.621 4.037 ( -1.147 0.262 1.998) 2.319 4.645 ( 0.942 -0.060 0.320) 0.997 4.945 ( -5.947 2.087 -5.393) 8.295 4.982 ( -2.341 3.677 4.053) 5.952 5.017 ( -0.288 -4.833 2.161) 5.302 5.284 ( -1.713 -0.733 0.753) 2.010 5.448 ( -6.662 -0.436 5.514) 8.659 5.649 ( -0.847 3.995 3.711) 5.518 5.783 ( 2.629 -0.001 -3.080) 4.049 5.992 ( -7.248 -1.309 -1.345) 7.488 6.149 ( -6.459 -0.671 1.916) 6.771 6.284 ( 1.514 2.803 -3.310) 4.594 6.454 ( 1.120 0.912 0.472) 1.519 6.844 ( 3.117 1.654 2.101) 4.107 7.084 ( 0.153 -2.158 0.242) 2.177 7.162 ( 2.136 1.329 -2.623) 3.634 7.362 ( 4.851 -0.325 4.022) 6.310 7.399 ( 2.481 -1.315 -0.289) 2.823 7.618 ( -6.456 -1.158 -7.457) 9.931 7.987 ( 4.058 6.242 9.091) 11.751 8.218 ( -6.230 5.274 -9.946) 12.866 8.684 ( 5.798 -3.760 8.589) 11.024 8.807 ( -4.180 -2.936 -5.918) 7.817 8.999 ( 1.460 0.260 1.061) 1.824 9.098 ( -2.424 -0.187 -4.003) 4.683 9.198 ( -3.125 -1.219 -1.083) 3.525 9.349 ( -1.103 -0.413 1.886) 2.223 10.246 ( -1.635 2.160 0.169) 2.714 10.405 ( -4.250 2.006 -1.674) 4.989 15.660 ( 3.747 0.569 -1.355) 4.025 15.696 ( 5.347 0.823 2.425) 5.928 15.954 ( 1.380 -1.243 0.745) 2.001 15.972 ( -0.211 -1.821 -0.814) 2.006 16.410 ( 0.277 2.266 -3.920) 4.536 16.471 ( 0.327 2.796 0.962) 2.975 16.791 ( -2.292 -2.612 1.707) 3.872 16.953 ( -4.425 -8.343 2.214) 9.700 17.547 ( 8.216 1.605 9.270) 12.491 17.765 ( -4.430 -0.219 -3.061) 5.389 18.018 ( 0.877 -2.249 12.025) 12.265 18.061 ( -0.284 -1.993 -7.246) 7.520 18.184 ( 1.484 0.012 -1.969) 2.466 18.293 ( -0.612 -0.255 0.133) 0.677 18.642 ( 10.276 -9.385 0.083) 13.917 18.779 ( -10.799 -6.131 -3.139) 12.809 ======================= Grid point 25 (16/130) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 10.418 8.051 5.897) 14.426 1.102 ( 11.317 5.005 11.243) 16.719 1.171 ( 5.904 7.175 0.253) 9.296 1.452 ( 0.727 -1.716 -0.834) 2.042 1.541 ( -3.379 3.917 -10.516) 11.720 1.680 ( 2.984 2.847 -0.947) 4.232 1.740 ( 9.489 0.581 -0.335) 9.513 1.854 ( 1.163 3.258 -3.169) 4.692 1.987 ( 2.075 3.041 -1.666) 4.041 2.057 ( 7.054 1.764 -3.655) 8.138 2.253 ( 5.857 -2.963 1.762) 6.796 2.391 ( 1.472 -1.193 1.070) 2.175 2.556 ( 0.148 2.794 1.902) 3.383 2.708 ( 10.300 -1.725 5.193) 11.664 2.867 ( 6.128 -2.914 -0.061) 6.786 2.991 ( 4.420 -4.032 -6.595) 8.904 3.127 ( 2.584 0.171 5.761) 6.316 3.374 ( -4.709 4.147 -0.545) 6.299 3.591 ( -2.475 2.237 -0.829) 3.438 3.719 ( -2.314 -3.925 -5.425) 7.084 3.872 ( -3.111 0.642 -0.029) 3.177 3.991 ( -0.294 0.340 0.020) 0.450 4.671 ( 2.176 0.905 -1.598) 2.848 4.824 ( -2.743 2.789 -2.998) 4.928 4.957 ( -5.934 -1.108 9.494) 11.250 5.046 ( -0.588 -2.163 3.083) 3.811 5.235 ( -2.290 2.327 -1.697) 3.680 5.354 ( -6.407 0.117 3.755) 7.427 5.658 ( 0.293 3.338 0.997) 3.496 5.772 ( -2.781 0.592 -3.646) 4.623 5.873 ( -3.764 -0.153 0.490) 3.799 6.039 ( -5.993 -2.549 1.528) 6.689 6.309 ( 3.297 2.760 -4.025) 5.890 6.465 ( -0.722 0.479 1.706) 1.914 6.915 ( 3.238 1.789 1.962) 4.187 7.071 ( -0.610 -0.511 -4.674) 4.742 7.178 ( 0.456 1.948 -3.328) 3.883 7.367 ( -0.175 -0.406 -6.107) 6.123 7.449 ( 0.219 -0.876 2.578) 2.731 7.584 ( 4.233 -3.271 6.715) 8.585 8.055 ( -2.841 3.326 -6.305) 7.674 8.185 ( 6.491 7.676 11.353) 15.165 8.647 ( -7.030 -4.433 -9.581) 12.684 8.821 ( 3.480 -2.226 4.667) 6.233 8.981 ( -2.305 2.206 -6.123) 6.904 9.071 ( 0.436 -2.441 2.189) 3.307 9.138 ( -2.540 -1.206 -0.476) 2.852 9.331 ( -2.229 0.391 2.903) 3.681 10.230 ( -0.122 0.410 -0.202) 0.473 10.340 ( -2.512 0.650 -0.366) 2.620 15.702 ( 1.704 1.098 -2.700) 3.376 15.841 ( 8.133 0.519 2.952) 8.668 15.909 ( 0.581 -0.588 -3.164) 3.270 16.097 ( 5.466 -2.906 10.923) 12.555 16.382 ( -1.230 2.739 0.146) 3.006 16.513 ( 2.675 2.209 0.738) 3.547 16.763 ( -2.308 -1.807 2.930) 4.144 16.877 ( -3.958 -6.242 0.104) 7.392 17.526 ( -11.038 1.770 -12.975) 17.126 17.732 ( 3.846 -0.002 2.551) 4.615 17.928 ( -6.997 -1.429 -11.661) 13.674 18.076 ( -3.010 -2.424 8.846) 9.653 18.206 ( 2.458 0.532 -0.271) 2.529 18.325 ( 3.505 -0.856 -0.474) 3.639 18.555 ( -7.974 -4.214 0.665) 9.043 18.873 ( 8.636 -9.219 5.138) 13.637 ======================= Grid point 26 (17/130) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 7.599 5.298 1.064) 9.324 1.228 ( 0.756 2.735 -1.728) 3.322 1.344 ( 7.106 6.540 3.139) 10.154 1.396 ( 0.085 2.617 -1.677) 3.110 1.475 ( 2.156 5.046 4.063) 6.828 1.777 ( -2.171 1.714 -4.188) 5.019 1.845 ( 8.279 0.464 5.858) 10.153 1.890 ( 2.918 1.338 -0.116) 3.212 1.945 ( -4.158 1.380 -8.269) 9.357 2.100 ( 1.476 2.713 -0.956) 3.233 2.377 ( 6.919 -2.930 -0.396) 7.524 2.446 ( 1.863 -2.037 3.833) 4.724 2.631 ( 5.441 4.016 4.337) 8.034 2.854 ( 2.796 -0.354 -0.654) 2.893 2.893 ( 1.342 -0.035 -8.619) 8.723 3.030 ( 3.211 -2.678 -3.553) 5.487 3.181 ( -0.974 1.763 0.646) 2.115 3.326 ( -2.448 -0.033 1.663) 2.960 3.465 ( -4.165 4.529 -0.604) 6.183 3.598 ( -7.936 2.057 -3.018) 8.736 3.928 ( 7.565 -4.502 4.675) 9.968 4.054 ( 3.535 -3.275 1.820) 5.151 4.666 ( -0.347 0.970 -4.703) 4.815 4.810 ( 0.905 1.496 0.530) 1.827 4.856 ( -9.488 -2.103 5.163) 11.005 5.043 ( -1.198 -0.584 2.978) 3.262 5.214 ( 0.370 3.159 -0.203) 3.188 5.276 ( -3.424 1.876 0.184) 3.909 5.646 ( -2.871 2.725 -1.155) 4.124 5.706 ( -0.048 1.414 -0.555) 1.520 5.834 ( -2.174 -0.230 0.553) 2.255 5.969 ( -2.633 -2.496 1.226) 3.829 6.340 ( 2.309 1.901 -2.523) 3.913 6.456 ( -0.983 0.296 1.111) 1.513 6.970 ( 0.622 3.624 -3.299) 4.940 7.015 ( 0.261 2.045 -1.179) 2.374 7.134 ( -2.325 2.437 -1.856) 3.846 7.377 ( 2.803 0.218 -2.124) 3.523 7.456 ( -0.181 -0.989 0.301) 1.050 7.746 ( 6.215 -7.595 9.672) 13.779 7.978 ( -1.387 1.364 -3.978) 4.428 8.400 ( 7.457 7.610 12.223) 16.215 8.443 ( -7.460 -4.435 -9.801) 13.091 8.810 ( -4.419 3.538 -6.853) 8.889 8.944 ( 1.027 -0.990 0.508) 1.514 9.079 ( -0.139 -2.023 0.230) 2.041 9.113 ( -0.818 -1.736 0.807) 2.083 9.316 ( -1.272 -0.154 2.514) 2.822 10.236 ( 0.823 -0.645 -0.422) 1.127 10.302 ( -1.680 -0.399 0.232) 1.742 15.689 ( -0.675 1.396 -2.073) 2.588 15.906 ( 2.981 -1.686 -3.463) 4.871 16.059 ( 8.772 1.072 6.947) 11.241 16.237 ( 2.468 -0.927 5.185) 5.816 16.401 ( 1.123 0.846 6.764) 6.908 16.552 ( 0.724 1.944 -0.285) 2.094 16.765 ( 0.705 -2.027 5.305) 5.722 16.830 ( -1.076 -4.043 -0.098) 4.184 17.237 ( -9.718 1.567 -12.022) 15.538 17.554 ( -12.365 -3.687 -17.597) 21.820 17.890 ( 2.895 1.080 2.322) 3.865 18.048 ( -3.964 -1.659 4.251) 6.045 18.253 ( 1.964 0.058 0.711) 2.090 18.390 ( 3.837 -0.508 -1.183) 4.047 18.475 ( -3.364 -2.281 3.129) 5.130 19.022 ( 4.382 -7.728 3.620) 9.594 ======================= Grid point 27 (18/130) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.000 -0.263 0.000) 0.263 1.199 ( 0.000 4.271 0.000) 4.271 1.387 ( -0.000 10.299 -0.000) 10.299 1.482 ( -0.000 4.015 -0.000) 4.015 1.578 ( 0.000 4.727 -0.000) 4.727 1.700 ( -0.000 2.228 -0.000) 2.228 1.824 ( 0.000 0.520 0.000) 0.520 1.919 ( -0.000 0.654 0.000) 0.654 1.964 ( 0.000 -0.296 0.000) 0.296 2.108 ( 0.000 2.215 0.000) 2.215 2.441 ( -0.000 -1.914 -0.000) 1.914 2.497 ( 0.000 -4.795 0.000) 4.795 2.712 ( 0.000 -0.344 0.000) 0.344 2.843 ( -0.000 4.689 -0.000) 4.689 2.902 ( 0.000 2.371 0.000) 2.371 3.005 ( 0.000 2.753 0.000) 2.753 3.166 ( 0.000 0.882 -0.000) 0.882 3.281 ( -0.000 0.896 -0.000) 0.896 3.444 ( -0.000 0.192 -0.000) 0.192 3.538 ( 0.000 3.383 -0.000) 3.383 4.023 ( -0.000 -6.730 -0.000) 6.730 4.108 ( -0.000 -4.087 0.000) 4.087 4.643 ( -0.000 1.393 0.000) 1.393 4.756 ( 0.000 -1.905 -0.000) 1.905 4.829 ( 0.000 0.628 -0.000) 0.628 5.043 ( -0.000 -1.022 -0.000) 1.022 5.225 ( 0.000 4.060 0.000) 4.060 5.240 ( 0.000 2.521 -0.000) 2.521 5.605 ( -0.000 2.391 0.000) 2.391 5.716 ( -0.000 2.248 0.000) 2.248 5.810 ( 0.000 -0.957 0.000) 0.957 5.952 ( 0.000 -1.873 0.000) 1.873 6.354 ( 0.000 1.567 -0.000) 1.567 6.450 ( -0.000 0.212 0.000) 0.212 6.936 ( 0.000 6.287 0.000) 6.287 7.057 ( -0.000 1.525 -0.000) 1.525 7.088 ( 0.000 2.204 0.000) 2.204 7.400 ( -0.000 0.150 0.000) 0.150 7.453 ( 0.000 -1.051 0.000) 1.051 7.861 ( 0.000 -9.819 0.000) 9.819 7.953 ( 0.000 0.984 0.000) 0.984 8.314 ( -0.000 -3.819 -0.000) 3.819 8.566 ( -0.000 6.656 -0.000) 6.656 8.686 ( 0.000 5.993 0.000) 5.993 8.958 ( 0.000 -1.889 0.000) 1.889 9.085 ( 0.000 -2.497 -0.000) 2.497 9.103 ( -0.000 -0.474 0.000) 0.474 9.314 ( -0.000 -0.881 -0.000) 0.881 10.245 ( 0.000 -0.874 -0.000) 0.874 10.286 ( -0.000 -0.883 0.000) 0.883 15.673 ( 0.000 1.532 -0.000) 1.532 15.927 ( 0.000 -2.156 0.000) 2.156 16.167 ( 0.000 0.279 0.000) 0.279 16.312 ( -0.000 3.392 0.000) 3.392 16.407 ( 0.000 -1.912 0.000) 1.912 16.553 ( 0.000 1.783 0.000) 1.783 16.806 ( 0.000 -4.206 -0.000) 4.206 16.853 ( 0.000 -1.655 0.000) 1.655 17.097 ( 0.000 0.962 -0.000) 0.962 17.323 ( -0.000 -2.943 -0.000) 2.943 17.935 ( 0.000 0.027 0.000) 0.027 18.015 ( -0.000 -0.921 0.000) 0.921 18.274 ( 0.000 -0.259 0.000) 0.259 18.437 ( -0.000 1.688 0.000) 1.688 18.444 ( 0.000 -3.623 -0.000) 3.623 19.074 ( -0.000 -7.110 0.000) 7.110 ======================= Grid point 33 (19/130) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 9.086 0.000) 9.086 0.801 ( 0.000 10.677 0.000) 10.677 0.950 ( 0.000 3.377 0.000) 3.377 1.090 ( 0.000 -0.260 0.000) 0.260 1.409 ( 0.000 5.780 0.000) 5.780 1.596 ( 0.000 0.951 0.000) 0.951 1.733 ( 0.000 1.461 0.000) 1.461 1.846 ( 0.000 -1.545 0.000) 1.545 1.879 ( 0.000 1.388 0.000) 1.388 1.987 ( 0.000 -0.108 0.000) 0.108 2.054 ( 0.000 2.309 0.000) 2.309 2.115 ( 0.000 2.251 0.000) 2.251 2.369 ( 0.000 -1.308 0.000) 1.308 2.375 ( 0.000 -7.095 0.000) 7.095 2.807 ( 0.000 -1.148 0.000) 1.148 2.870 ( 0.000 2.642 0.000) 2.642 3.163 ( 0.000 5.319 0.000) 5.319 3.488 ( 0.000 -4.300 0.000) 4.300 3.672 ( 0.000 -0.274 0.000) 0.274 3.747 ( 0.000 5.257 0.000) 5.257 3.759 ( 0.000 -5.105 0.000) 5.105 4.094 ( 0.000 -5.042 0.000) 5.042 4.640 ( 0.000 2.365 0.000) 2.365 4.918 ( 0.000 -5.042 0.000) 5.042 5.081 ( 0.000 6.196 0.000) 6.196 5.191 ( 0.000 3.752 0.000) 3.752 5.306 ( 0.000 -1.558 0.000) 1.558 5.455 ( 0.000 -4.121 0.000) 4.121 5.689 ( 0.000 4.534 0.000) 4.534 5.826 ( 0.000 2.554 0.000) 2.554 6.099 ( 0.000 -3.252 0.000) 3.252 6.178 ( 0.000 -1.403 0.000) 1.403 6.317 ( 0.000 2.480 0.000) 2.480 6.482 ( 0.000 -0.828 0.000) 0.828 6.807 ( 0.000 3.186 0.000) 3.186 7.030 ( 0.000 -3.708 0.000) 3.708 7.182 ( 0.000 2.016 0.000) 2.016 7.291 ( 0.000 -0.982 0.000) 0.982 7.327 ( 0.000 7.009 0.000) 7.009 7.725 ( 0.000 -1.872 0.000) 1.872 7.966 ( 0.000 -0.141 0.000) 0.141 8.299 ( 0.000 -5.878 0.000) 5.878 8.678 ( 0.000 4.530 0.000) 4.530 8.848 ( 0.000 -0.328 0.000) 0.328 9.031 ( 0.000 -1.583 0.000) 1.583 9.102 ( 0.000 -1.685 0.000) 1.685 9.245 ( 0.000 -0.331 0.000) 0.331 9.309 ( 0.000 -1.517 0.000) 1.517 10.378 ( 0.000 4.447 0.000) 4.447 10.606 ( 0.000 -2.607 0.000) 2.607 15.588 ( 0.000 -0.003 0.000) 0.003 15.590 ( 0.000 0.202 0.000) 0.202 15.926 ( 0.000 0.555 0.000) 0.555 15.963 ( 0.000 -1.226 0.000) 1.226 16.453 ( 0.000 3.933 0.000) 3.933 16.626 ( 0.000 1.557 0.000) 1.557 16.760 ( 0.000 -3.499 0.000) 3.499 16.803 ( 0.000 -1.694 0.000) 1.694 17.260 ( 0.000 3.069 0.000) 3.069 17.456 ( 0.000 -2.477 0.000) 2.477 18.001 ( 0.000 -1.105 0.000) 1.105 18.020 ( 0.000 -1.043 0.000) 1.043 18.158 ( 0.000 0.263 0.000) 0.263 18.244 ( 0.000 -1.753 0.000) 1.753 18.560 ( 0.000 3.098 0.000) 3.098 18.918 ( 0.000 -8.187 0.000) 8.187 ======================= Grid point 34 (20/130) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 11.642 7.425 3.545) 14.256 0.842 ( 2.726 8.974 4.023) 10.205 1.018 ( 5.180 5.634 5.517) 9.435 1.157 ( 5.628 -0.476 3.354) 6.569 1.469 ( 4.625 4.984 2.697) 7.315 1.578 ( 4.614 0.201 -5.156) 6.922 1.833 ( 3.155 1.036 -2.701) 4.280 1.851 ( 2.973 -0.099 0.101) 2.976 1.899 ( 2.974 -0.661 -1.864) 3.571 1.979 ( 0.504 -1.026 -3.119) 3.321 2.005 ( -0.713 4.356 -1.637) 4.708 2.190 ( 5.087 1.397 1.766) 5.562 2.392 ( 2.981 -5.331 0.739) 6.152 2.464 ( 6.223 -1.788 5.597) 8.558 2.732 ( -3.837 0.493 -3.858) 5.463 2.848 ( -1.576 0.837 -1.513) 2.340 3.170 ( -1.189 4.239 1.834) 4.770 3.485 ( 0.349 -4.662 -1.716) 4.980 3.606 ( -2.486 1.957 -2.722) 4.173 3.765 ( 2.321 3.045 -0.863) 3.925 3.888 ( 6.002 -2.898 9.291) 11.434 4.043 ( -4.002 -4.603 -4.598) 7.639 4.639 ( -0.079 2.195 1.690) 2.771 4.908 ( -1.371 -5.016 1.703) 5.472 5.053 ( -3.024 4.275 0.798) 5.297 5.181 ( -3.349 2.830 -2.749) 5.175 5.282 ( 0.871 0.205 -2.896) 3.031 5.461 ( -0.684 -3.300 2.195) 4.021 5.697 ( 1.239 4.020 0.443) 4.230 5.814 ( -2.314 2.460 2.719) 4.336 6.062 ( -3.852 -2.146 -0.375) 4.425 6.184 ( -2.810 -2.568 5.330) 6.550 6.324 ( 1.668 2.511 -2.714) 4.056 6.464 ( 0.104 -0.134 -3.198) 3.202 6.828 ( 1.876 2.819 1.109) 3.563 7.025 ( -0.550 -3.229 1.102) 3.456 7.192 ( 0.937 2.236 -1.579) 2.894 7.301 ( 2.600 0.745 -2.027) 3.379 7.350 ( 1.530 2.628 1.254) 3.289 7.682 ( -3.272 -4.867 -6.128) 8.482 7.988 ( 2.641 4.894 5.751) 7.999 8.402 ( 6.083 -5.503 8.507) 11.817 8.562 ( -7.625 5.476 -7.822) 12.219 8.837 ( -1.959 -2.415 -3.056) 4.360 9.000 ( -1.392 0.384 1.150) 1.846 9.118 ( 0.701 -2.073 -2.410) 3.255 9.231 ( -1.513 -0.249 -0.444) 1.597 9.312 ( 0.032 -1.801 1.280) 2.210 10.356 ( -2.408 4.099 0.286) 4.763 10.538 ( -5.629 -0.976 -1.816) 5.995 15.610 ( 2.478 0.244 0.214) 2.500 15.621 ( 3.257 0.203 0.093) 3.265 15.920 ( -0.713 0.343 1.206) 1.443 15.964 ( 0.412 -1.732 -2.625) 3.172 16.464 ( 1.462 3.499 -1.605) 4.118 16.569 ( -2.863 2.222 -4.220) 5.563 16.747 ( -1.091 -3.490 0.460) 3.685 16.826 ( -0.149 -4.773 2.202) 5.258 17.376 ( 7.441 3.012 10.179) 12.964 17.583 ( 7.646 -3.148 12.707) 15.161 17.987 ( -1.024 -0.290 -0.263) 1.097 18.034 ( 1.948 -1.572 -3.272) 4.119 18.165 ( 1.179 0.394 -0.726) 1.440 18.267 ( 2.439 -2.175 -0.796) 3.364 18.515 ( -2.765 2.007 -3.258) 4.721 18.838 ( -7.012 -7.825 -3.857) 11.193 ======================= Grid point 35 (21/130) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 6.234 7.819 4.496) 10.964 0.978 ( 8.982 7.415 9.301) 14.906 1.168 ( 6.262 5.212 4.725) 9.419 1.304 ( 6.390 -1.247 5.524) 8.538 1.597 ( 9.689 3.865 -1.488) 10.537 1.704 ( 6.463 -1.522 -4.007) 7.755 1.752 ( -3.150 1.288 -8.589) 9.239 1.858 ( 2.283 1.170 -9.303) 9.650 1.961 ( 5.668 2.104 -2.179) 6.427 2.024 ( 4.591 2.168 -2.664) 5.734 2.075 ( 5.242 -0.140 6.897) 8.664 2.317 ( 4.709 -1.767 4.995) 7.088 2.440 ( 3.658 -1.255 0.392) 3.888 2.610 ( 3.543 -2.443 -0.191) 4.307 2.722 ( 5.708 1.808 2.601) 6.528 2.841 ( 1.901 -1.654 1.917) 3.166 3.135 ( -1.563 2.508 -2.200) 3.684 3.475 ( -0.149 -5.296 -3.489) 6.344 3.571 ( 0.293 5.228 -0.785) 5.295 3.800 ( 0.047 0.335 -1.282) 1.326 3.907 ( -5.432 -1.017 -3.051) 6.312 4.019 ( 1.081 -2.283 5.463) 6.019 4.666 ( 1.590 2.065 1.462) 2.988 4.899 ( -1.406 -4.912 2.734) 5.794 4.994 ( -4.904 1.856 -1.767) 5.533 5.052 ( -4.419 2.203 -0.084) 4.938 5.303 ( 0.957 2.201 -1.180) 2.675 5.433 ( -4.713 -1.113 4.098) 6.344 5.728 ( 0.011 3.547 2.002) 4.073 5.794 ( 0.510 1.171 -0.959) 1.597 5.964 ( -6.550 -1.163 0.212) 6.656 6.107 ( -8.200 -3.241 3.589) 9.520 6.343 ( 2.755 3.119 -3.944) 5.733 6.465 ( 1.113 -0.047 -1.396) 1.786 6.885 ( 3.102 2.319 1.798) 4.270 7.036 ( 1.274 -2.512 0.251) 2.828 7.195 ( 1.642 2.024 -3.159) 4.096 7.347 ( 2.478 -1.968 -2.833) 4.247 7.388 ( 1.804 1.041 2.390) 3.170 7.567 ( -3.376 -3.415 -5.613) 7.387 8.133 ( 5.956 8.050 11.370) 15.151 8.345 ( -7.591 7.047 -10.192) 14.532 8.590 ( 6.057 -5.670 9.766) 12.815 8.730 ( -5.180 -4.673 -7.629) 10.338 9.006 ( 0.690 0.422 0.771) 1.117 9.084 ( -2.054 -1.289 -2.863) 3.752 9.187 ( -2.672 0.470 -0.799) 2.828 9.320 ( -0.604 -2.271 1.936) 3.045 10.303 ( -3.286 3.203 0.234) 4.595 10.425 ( -5.075 0.047 -1.235) 5.223 15.674 ( 4.382 0.838 -0.843) 4.540 15.709 ( 5.916 0.380 1.409) 6.094 15.930 ( -0.607 -1.070 -2.869) 3.122 15.938 ( 0.241 -1.369 4.163) 4.389 16.466 ( 0.500 3.241 -4.255) 5.372 16.528 ( 0.204 2.855 0.936) 3.011 16.732 ( -1.121 -3.217 1.277) 3.638 16.803 ( -3.157 -6.344 1.080) 7.168 17.590 ( 7.266 2.624 9.855) 12.522 17.747 ( -0.370 -1.546 2.290) 2.787 17.982 ( 0.132 -1.207 5.514) 5.646 18.022 ( -0.872 -1.850 -6.164) 6.495 18.192 ( 2.526 0.857 -2.065) 3.373 18.284 ( -0.345 -0.752 -0.542) 0.989 18.507 ( 4.950 -4.130 -0.452) 6.463 18.650 ( -9.067 -6.418 -3.309) 11.591 ======================= Grid point 36 (22/130) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 8.333 6.932 4.907) 11.898 1.213 ( 6.968 5.862 11.479) 14.652 1.288 ( 5.854 3.751 1.700) 7.158 1.412 ( 1.364 -2.120 2.392) 3.475 1.622 ( -2.517 3.543 -9.073) 10.060 1.721 ( 2.768 0.569 -2.395) 3.704 1.760 ( 8.711 2.493 -4.067) 9.932 1.914 ( 5.147 1.812 -5.314) 7.617 2.062 ( 0.960 3.686 -3.207) 4.979 2.084 ( 7.082 1.110 -1.833) 7.399 2.197 ( 4.451 -1.950 3.790) 6.163 2.367 ( 0.513 -1.488 2.544) 2.992 2.592 ( 7.658 0.559 3.140) 8.295 2.678 ( 8.300 -0.990 1.773) 8.545 2.830 ( 3.523 -0.619 -3.043) 4.696 2.926 ( 4.681 -2.173 -0.280) 5.168 3.144 ( 3.474 1.708 3.038) 4.921 3.414 ( -4.610 -1.618 -2.187) 5.353 3.622 ( 4.351 1.475 -0.046) 4.595 3.680 ( -6.123 0.569 -3.946) 7.307 3.879 ( -2.287 0.182 0.226) 2.306 3.982 ( -4.351 -1.431 0.235) 4.587 4.700 ( 1.459 1.802 -1.213) 2.617 4.869 ( -2.878 -0.893 -0.213) 3.021 4.900 ( -3.880 -0.383 2.245) 4.499 5.035 ( -1.728 -0.280 4.830) 5.137 5.289 ( -1.310 2.813 -1.000) 3.260 5.359 ( -5.148 0.292 3.054) 5.992 5.726 ( -0.115 3.200 0.325) 3.218 5.794 ( -2.549 1.598 -0.843) 3.124 5.861 ( -2.954 -0.957 0.049) 3.106 5.979 ( -6.956 -3.399 2.342) 8.089 6.365 ( 2.299 2.754 -3.641) 5.112 6.469 ( -0.333 -0.200 0.190) 0.432 6.958 ( 3.774 2.410 1.595) 4.753 7.059 ( 1.545 -0.715 -2.742) 3.227 7.214 ( 1.902 1.671 -3.116) 4.015 7.341 ( 1.396 -2.121 -4.290) 4.985 7.438 ( 0.405 -0.110 3.137) 3.165 7.529 ( 0.555 -2.370 2.405) 3.422 8.145 ( -5.330 5.689 -8.576) 11.589 8.348 ( 6.909 8.267 12.024) 16.145 8.545 ( -7.220 -5.741 -10.215) 13.764 8.757 ( 4.663 -4.182 7.031) 9.416 9.015 ( -0.917 0.713 -3.538) 3.723 9.031 ( -0.714 -1.461 0.432) 1.683 9.129 ( -2.862 0.875 -0.881) 3.119 9.310 ( -1.890 -2.367 2.157) 3.718 10.254 ( -1.946 1.795 -0.114) 2.650 10.343 ( -3.554 -0.369 -0.298) 3.586 15.729 ( 2.098 1.570 -2.498) 3.620 15.836 ( 5.669 -1.135 -2.402) 6.261 15.913 ( 2.819 1.053 3.697) 4.767 16.039 ( 5.048 -2.807 9.475) 11.097 16.444 ( -0.880 3.467 -0.649) 3.635 16.561 ( 1.996 2.447 1.083) 3.338 16.722 ( -2.139 -2.355 2.931) 4.326 16.752 ( -1.501 -5.882 -0.354) 6.081 17.567 ( -10.208 2.327 -13.163) 16.819 17.718 ( -1.202 -1.462 -4.214) 4.619 17.912 ( -4.309 0.043 -3.762) 5.721 18.024 ( -2.135 -2.673 7.863) 8.575 18.223 ( 2.051 1.150 -0.440) 2.392 18.307 ( 3.045 -0.991 -0.063) 3.203 18.481 ( -4.039 -2.626 0.975) 4.915 18.696 ( 8.442 -8.118 5.064) 12.760 ======================= Grid point 37 (23/130) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 1.914 1.940 -2.107) 3.445 1.265 ( -1.050 0.954 -0.838) 1.648 1.454 ( 5.708 4.125 5.332) 8.833 1.488 ( 7.590 5.308 7.380) 11.842 1.582 ( 1.694 5.253 0.290) 5.527 1.786 ( 2.445 -1.076 -2.054) 3.370 1.866 ( 5.224 2.306 -1.713) 5.961 1.933 ( 0.476 2.553 -2.086) 3.331 2.003 ( -3.236 3.922 -6.797) 8.488 2.131 ( 0.858 0.278 -1.335) 1.611 2.316 ( 6.592 -2.871 -0.946) 7.253 2.398 ( -0.187 -2.767 4.519) 5.302 2.725 ( 3.639 5.214 4.104) 7.567 2.835 ( 4.143 -0.611 -5.343) 6.789 2.901 ( 10.118 -0.346 2.085) 10.337 2.976 ( 3.184 -2.480 -4.177) 5.808 3.218 ( -0.986 1.952 0.044) 2.188 3.317 ( -3.330 -0.900 1.489) 3.757 3.553 ( -5.737 4.025 -1.722) 7.216 3.648 ( -3.471 2.700 -0.695) 4.452 3.840 ( 2.761 -3.863 1.359) 4.939 3.976 ( 1.259 -4.393 1.812) 4.917 4.690 ( -0.481 1.355 -3.523) 3.805 4.800 ( -5.520 -2.413 -0.203) 6.027 4.859 ( -1.430 2.506 1.885) 3.446 5.024 ( -2.043 -1.522 2.921) 3.877 5.268 ( -0.787 2.120 1.626) 2.785 5.308 ( -1.639 1.236 -0.443) 2.100 5.711 ( -4.055 3.253 0.158) 5.201 5.739 ( 1.350 2.123 -0.360) 2.541 5.827 ( -2.763 -0.556 0.900) 2.958 5.916 ( -1.456 -2.726 1.320) 3.361 6.380 ( 1.537 2.073 -2.271) 3.438 6.459 ( -0.652 -0.095 0.242) 0.702 7.040 ( 4.312 2.917 0.995) 5.301 7.054 ( 0.390 1.956 -3.163) 3.739 7.191 ( -2.214 3.274 -2.139) 4.494 7.376 ( 3.460 -0.522 -1.853) 3.959 7.440 ( -0.757 -0.458 0.620) 1.080 7.599 ( 2.748 -6.881 6.906) 10.129 8.027 ( -2.482 3.495 -5.182) 6.725 8.342 ( -6.941 -5.369 -9.013) 12.579 8.553 ( 6.715 7.265 10.521) 14.442 8.840 ( 0.586 -1.037 1.036) 1.579 8.951 ( -1.972 1.957 -3.405) 4.395 9.038 ( 0.187 -1.892 0.202) 1.911 9.090 ( -0.806 -0.226 0.213) 0.864 9.285 ( -1.925 -2.903 1.491) 3.789 10.233 ( -0.225 0.411 -0.348) 0.584 10.290 ( -2.278 -0.821 0.184) 2.428 15.723 ( -0.404 1.984 -1.849) 2.742 15.866 ( 1.919 -2.268 -2.670) 3.995 16.086 ( 7.992 1.624 6.991) 10.742 16.208 ( 6.556 -1.877 7.046) 9.806 16.433 ( -1.270 2.383 3.047) 4.071 16.591 ( -0.061 1.555 0.597) 1.667 16.702 ( -0.178 -3.695 2.603) 4.523 16.764 ( 1.596 -2.428 2.004) 3.529 17.276 ( -10.153 2.318 -13.014) 16.668 17.476 ( -11.864 -3.998 -16.534) 20.740 17.914 ( 1.120 1.263 2.862) 3.323 18.012 ( -2.774 -1.886 3.851) 5.107 18.256 ( 1.371 0.282 0.315) 1.435 18.356 ( 1.758 -2.783 -0.100) 3.293 18.473 ( 0.665 2.318 2.610) 3.553 18.855 ( 5.055 -8.555 3.814) 10.643 ======================= Grid point 38 (24/130) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 0.494 0.000) 0.494 1.246 ( 0.000 0.450 -0.000) 0.450 1.568 ( -0.000 7.134 -0.000) 7.134 1.572 ( 0.000 4.649 -0.000) 4.649 1.693 ( -0.000 5.464 -0.000) 5.464 1.733 ( 0.000 0.948 0.000) 0.948 1.851 ( 0.000 2.689 -0.000) 2.689 1.950 ( 0.000 2.146 0.000) 2.146 1.967 ( -0.000 0.947 0.000) 0.947 2.129 ( 0.000 -0.260 0.000) 0.260 2.387 ( -0.000 -3.345 0.000) 3.345 2.405 ( 0.000 -4.235 0.000) 4.235 2.732 ( 0.000 2.473 0.000) 2.473 2.925 ( -0.000 -0.328 -0.000) 0.328 2.957 ( 0.000 6.385 0.000) 6.385 3.054 ( 0.000 2.177 0.000) 2.177 3.165 ( 0.000 -1.172 -0.000) 1.172 3.269 ( -0.000 -2.140 -0.000) 2.140 3.478 ( -0.000 3.558 0.000) 3.558 3.633 ( 0.000 5.728 -0.000) 5.728 3.877 ( -0.000 -7.622 -0.000) 7.622 4.010 ( 0.000 -5.662 0.000) 5.662 4.670 ( -0.000 1.207 0.000) 1.207 4.728 ( 0.000 -1.039 0.000) 1.039 4.855 ( 0.000 2.052 -0.000) 2.052 5.013 ( -0.000 -1.995 -0.000) 1.995 5.273 ( 0.000 1.062 0.000) 1.062 5.289 ( 0.000 2.087 -0.000) 2.087 5.673 ( -0.000 3.831 0.000) 3.831 5.760 ( -0.000 2.274 0.000) 2.274 5.793 ( 0.000 -0.783 -0.000) 0.783 5.911 ( 0.000 -2.113 0.000) 2.113 6.388 ( 0.000 1.773 -0.000) 1.773 6.453 ( -0.000 0.023 0.000) 0.023 7.045 ( 0.000 3.425 0.000) 3.425 7.121 ( -0.000 0.891 -0.000) 0.891 7.125 ( 0.000 6.330 0.000) 6.330 7.404 ( -0.000 0.261 0.000) 0.261 7.433 ( 0.000 -0.869 0.000) 0.869 7.663 ( 0.000 -9.852 0.000) 9.852 7.989 ( 0.000 2.542 0.000) 2.542 8.233 ( -0.000 -4.336 -0.000) 4.336 8.686 ( -0.000 5.257 -0.000) 5.257 8.802 ( 0.000 4.742 0.000) 4.742 8.930 ( 0.000 -0.349 -0.000) 0.349 9.040 ( 0.000 -1.919 -0.000) 1.919 9.090 ( -0.000 -0.603 0.000) 0.603 9.270 ( -0.000 -3.528 -0.000) 3.528 10.233 ( 0.000 -0.208 -0.000) 0.208 10.267 ( -0.000 -0.918 0.000) 0.918 15.711 ( 0.000 2.203 -0.000) 2.203 15.876 ( 0.000 -2.775 0.000) 2.775 16.186 ( 0.000 1.635 0.000) 1.635 16.357 ( -0.000 -2.967 -0.000) 2.967 16.386 ( 0.000 3.943 0.000) 3.943 16.587 ( 0.000 0.868 0.000) 0.868 16.724 ( -0.000 -3.146 -0.000) 3.146 16.813 ( 0.000 -2.278 0.000) 2.278 17.122 ( 0.000 1.543 -0.000) 1.543 17.262 ( -0.000 -3.004 0.000) 3.004 17.938 ( 0.000 0.313 0.000) 0.313 17.993 ( -0.000 -1.196 0.000) 1.196 18.270 ( 0.000 -0.036 -0.000) 0.036 18.370 ( -0.000 -3.516 0.000) 3.516 18.493 ( 0.000 4.034 0.000) 4.034 18.915 ( -0.000 -8.449 -0.000) 8.449 ======================= Grid point 44 (25/130) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.000 8.337 0.000) 8.337 0.890 ( 0.000 -6.544 0.000) 6.544 0.984 ( 0.000 7.354 0.000) 7.354 1.083 ( 0.000 -2.240 0.000) 2.240 1.525 ( 0.000 4.806 0.000) 4.806 1.590 ( 0.000 -1.703 0.000) 1.703 1.772 ( 0.000 2.309 0.000) 2.309 1.814 ( 0.000 -1.757 0.000) 1.757 1.920 ( 0.000 2.576 0.000) 2.576 1.968 ( 0.000 -1.826 0.000) 1.826 2.117 ( 0.000 4.197 0.000) 4.197 2.180 ( 0.000 2.915 0.000) 2.915 2.242 ( 0.000 -4.681 0.000) 4.681 2.299 ( 0.000 -4.990 0.000) 4.990 2.833 ( 0.000 2.895 0.000) 2.895 2.884 ( 0.000 -1.333 0.000) 1.333 3.274 ( 0.000 5.756 0.000) 5.756 3.389 ( 0.000 -5.476 0.000) 5.476 3.666 ( 0.000 -0.017 0.000) 0.017 3.685 ( 0.000 -2.162 0.000) 2.162 3.861 ( 0.000 5.968 0.000) 5.968 3.982 ( 0.000 -5.969 0.000) 5.969 4.711 ( 0.000 4.529 0.000) 4.529 4.813 ( 0.000 -5.358 0.000) 5.358 5.196 ( 0.000 4.841 0.000) 4.841 5.265 ( 0.000 4.068 0.000) 4.068 5.266 ( 0.000 -2.480 0.000) 2.480 5.361 ( 0.000 -5.099 0.000) 5.099 5.781 ( 0.000 4.335 0.000) 4.335 5.845 ( 0.000 -1.372 0.000) 1.372 6.071 ( 0.000 0.973 0.000) 0.973 6.123 ( 0.000 -3.358 0.000) 3.358 6.386 ( 0.000 3.639 0.000) 3.639 6.449 ( 0.000 -2.486 0.000) 2.486 6.877 ( 0.000 3.712 0.000) 3.712 6.954 ( 0.000 -3.890 0.000) 3.890 7.224 ( 0.000 2.097 0.000) 2.097 7.263 ( 0.000 -1.737 0.000) 1.737 7.476 ( 0.000 7.638 0.000) 7.638 7.625 ( 0.000 -6.937 0.000) 6.937 8.037 ( 0.000 5.887 0.000) 5.887 8.169 ( 0.000 -6.841 0.000) 6.841 8.762 ( 0.000 3.809 0.000) 3.809 8.825 ( 0.000 -2.227 0.000) 2.227 9.022 ( 0.000 0.892 0.000) 0.892 9.058 ( 0.000 -2.362 0.000) 2.362 9.252 ( 0.000 0.941 0.000) 0.941 9.278 ( 0.000 -1.489 0.000) 1.489 10.466 ( 0.000 4.246 0.000) 4.246 10.545 ( 0.000 -3.531 0.000) 3.531 15.589 ( 0.000 0.127 0.000) 0.127 15.591 ( 0.000 -0.062 0.000) 0.062 15.936 ( 0.000 0.432 0.000) 0.432 15.945 ( 0.000 -0.597 0.000) 0.597 16.536 ( 0.000 4.257 0.000) 4.257 16.615 ( 0.000 -3.077 0.000) 3.077 16.729 ( 0.000 0.930 0.000) 0.930 16.765 ( 0.000 -2.057 0.000) 2.057 17.327 ( 0.000 3.521 0.000) 3.521 17.397 ( 0.000 -3.368 0.000) 3.368 17.991 ( 0.000 0.059 0.000) 0.059 18.000 ( 0.000 -0.801 0.000) 0.801 18.174 ( 0.000 1.326 0.000) 1.326 18.207 ( 0.000 -1.850 0.000) 1.850 18.641 ( 0.000 5.014 0.000) 5.014 18.762 ( 0.000 -7.069 0.000) 7.069 ======================= Grid point 45 (26/130) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 9.626 6.466 3.175) 12.023 0.945 ( 4.586 -0.796 2.560) 5.312 1.074 ( 6.308 3.315 6.576) 9.697 1.142 ( 4.597 -1.961 4.401) 6.659 1.549 ( 2.906 2.818 1.269) 4.242 1.581 ( 2.271 -0.361 -3.597) 4.269 1.849 ( 5.886 0.649 1.525) 6.115 1.859 ( 4.312 0.148 -1.652) 4.620 1.896 ( -0.592 1.157 -4.438) 4.625 1.941 ( -0.583 -2.546 -5.203) 5.822 2.117 ( 0.818 6.263 1.075) 6.407 2.213 ( 2.218 -1.229 0.357) 2.561 2.311 ( 6.254 -0.776 2.656) 6.839 2.379 ( 6.730 -5.358 3.074) 9.135 2.779 ( -2.727 3.528 -3.409) 5.613 2.841 ( -2.645 -1.959 -2.246) 3.985 3.266 ( -1.057 5.372 -1.753) 5.749 3.379 ( -0.272 -5.716 -2.662) 6.311 3.674 ( 0.824 4.556 3.186) 5.620 3.769 ( 2.952 -3.896 4.927) 6.941 3.872 ( 2.098 2.835 1.512) 3.838 3.951 ( -1.813 -4.445 -3.464) 5.920 4.707 ( -0.504 4.343 1.651) 4.673 4.804 ( -1.047 -5.157 1.625) 5.507 5.136 ( -4.885 3.726 -0.935) 6.214 5.192 ( -5.754 -1.604 -2.196) 6.365 5.318 ( 3.449 3.095 -0.835) 4.709 5.389 ( 1.821 -3.771 0.823) 4.268 5.777 ( 0.039 3.817 -0.222) 3.824 5.834 ( -1.536 -1.166 1.103) 2.221 6.052 ( -3.885 1.652 3.317) 5.368 6.114 ( -3.918 -3.847 5.551) 7.808 6.387 ( 1.775 3.236 -3.740) 5.254 6.442 ( 1.011 -2.047 -3.563) 4.232 6.890 ( 1.188 3.304 0.925) 3.631 6.958 ( 0.372 -3.433 0.818) 3.549 7.238 ( 1.367 2.274 -1.229) 2.924 7.280 ( 1.900 -1.848 -1.146) 2.887 7.443 ( -1.060 5.716 -3.380) 6.725 7.565 ( -2.918 -6.254 -6.097) 9.209 8.118 ( 5.110 7.423 8.850) 12.631 8.269 ( 6.001 -7.345 9.470) 13.403 8.673 ( -6.070 5.301 -7.006) 10.678 8.769 ( -4.210 -4.207 -5.394) 8.033 9.022 ( -0.059 1.795 0.606) 1.895 9.068 ( 0.337 -2.620 -0.660) 2.723 9.242 ( -1.092 1.242 0.140) 1.660 9.274 ( -0.557 -1.823 0.792) 2.064 10.436 ( -3.125 3.708 -0.084) 4.850 10.500 ( -4.128 -2.658 -0.759) 4.968 15.616 ( 2.932 0.322 0.108) 2.952 15.621 ( 3.235 -0.169 0.117) 3.241 15.927 ( -0.918 0.419 0.289) 1.050 15.939 ( -0.471 -0.836 -1.066) 1.434 16.535 ( 0.798 3.510 -2.136) 4.186 16.589 ( -0.726 -1.062 -3.741) 3.956 16.705 ( -2.061 0.176 0.263) 2.085 16.747 ( -1.884 -3.261 0.060) 3.766 17.443 ( 7.149 3.537 10.875) 13.486 17.515 ( 7.118 -3.581 11.627) 14.095 17.989 ( 0.281 0.525 -1.571) 1.680 18.007 ( 1.137 -1.168 -2.377) 2.882 18.185 ( 1.441 1.520 -0.601) 2.179 18.223 ( 1.883 -2.163 -0.565) 2.923 18.579 ( -4.872 4.421 -3.535) 7.468 18.691 ( -6.049 -6.626 -3.854) 9.765 ======================= Grid point 46 (27/130) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 7.125 5.142 5.003) 10.111 1.088 ( 8.139 2.106 7.678) 11.385 1.229 ( 4.368 1.905 7.331) 8.744 1.275 ( 4.761 -1.889 7.124) 8.774 1.644 ( 7.861 1.202 -4.194) 8.991 1.666 ( 8.019 -1.442 -4.828) 9.471 1.808 ( -0.844 3.425 -9.277) 9.925 1.859 ( 1.387 -1.230 -9.541) 9.719 1.978 ( 6.545 0.398 0.407) 6.570 2.000 ( 6.317 -2.036 1.317) 6.766 2.166 ( 2.408 6.062 3.985) 7.643 2.267 ( 2.278 -3.653 3.634) 5.634 2.449 ( 7.081 2.274 -0.242) 7.441 2.525 ( 7.032 -4.858 -0.762) 8.581 2.770 ( 3.072 2.675 2.606) 4.836 2.816 ( 0.885 -1.664 2.725) 3.313 3.215 ( -1.095 5.590 -5.294) 7.776 3.346 ( -0.112 -6.961 -5.507) 8.877 3.690 ( -0.529 5.923 -0.033) 5.947 3.782 ( -2.332 -2.723 -2.649) 4.458 3.905 ( -1.096 1.213 2.223) 2.760 3.955 ( 0.883 -3.471 5.925) 6.924 4.724 ( 1.033 3.583 1.303) 3.950 4.805 ( -0.237 -4.395 1.532) 4.661 5.037 ( -5.301 2.057 -0.853) 5.750 5.066 ( -5.252 -0.607 -0.432) 5.305 5.355 ( 0.566 2.650 -0.133) 2.713 5.402 ( -1.732 -1.987 1.981) 3.297 5.785 ( 0.688 2.248 -0.093) 2.353 5.813 ( -0.684 -0.116 -0.076) 0.698 5.966 ( -7.352 1.888 2.905) 8.128 6.031 ( -8.254 -4.019 4.177) 10.087 6.404 ( 2.388 2.753 -3.614) 5.133 6.448 ( 1.657 -1.580 -2.751) 3.579 6.934 ( 2.844 2.544 1.265) 4.020 6.985 ( 2.214 -2.574 0.625) 3.453 7.242 ( 1.136 2.609 -3.760) 4.715 7.297 ( 1.264 -2.756 -3.827) 4.883 7.429 ( 0.748 2.809 -0.020) 2.907 7.495 ( -0.922 -3.619 -2.818) 4.679 8.299 ( 6.464 8.292 11.548) 15.618 8.458 ( 6.475 -7.367 10.798) 14.587 8.489 ( -7.340 7.025 -9.626) 13.996 8.622 ( -6.222 -6.109 -8.805) 12.392 9.020 ( -0.375 1.120 -0.141) 1.189 9.051 ( -1.336 -1.795 -1.336) 2.606 9.216 ( -1.811 2.197 -0.040) 2.848 9.268 ( -1.003 -2.745 1.079) 3.115 10.365 ( -4.284 2.771 -0.047) 5.102 10.409 ( -4.913 -1.586 -0.602) 5.197 15.693 ( 5.243 0.929 -0.400) 5.340 15.708 ( 5.964 -0.485 0.306) 5.992 15.915 ( -1.179 -0.286 -0.308) 1.252 15.919 ( -0.374 -0.584 2.678) 2.766 16.535 ( 1.050 3.380 -3.827) 5.213 16.573 ( 0.988 0.686 -1.129) 1.650 16.675 ( -1.636 -1.512 1.202) 2.531 16.704 ( -3.275 -3.606 1.611) 5.131 17.647 ( 5.880 2.958 9.397) 11.473 17.704 ( 3.460 -2.600 7.089) 8.305 17.973 ( -1.075 0.264 -0.810) 1.372 17.989 ( -1.293 -1.300 -4.487) 4.847 18.219 ( 2.874 1.813 -1.333) 3.650 18.258 ( 1.911 -1.828 -0.957) 2.812 18.476 ( -2.046 0.946 -1.707) 2.828 18.535 ( -6.472 -4.648 -2.837) 8.458 ======================= Grid point 47 (28/130) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 5.994 5.503 3.477) 8.848 1.289 ( 3.514 -3.005 1.176) 4.771 1.323 ( 5.408 4.355 12.061) 13.917 1.382 ( 2.238 -1.412 7.870) 8.303 1.675 ( 0.592 1.980 -6.897) 7.200 1.709 ( 2.519 -1.322 -5.156) 5.888 1.839 ( 8.880 4.560 -7.225) 12.322 1.912 ( 8.384 -2.125 -8.245) 11.949 2.084 ( 4.841 0.273 -2.818) 5.609 2.097 ( 3.831 -0.856 -1.702) 4.278 2.229 ( 0.472 4.585 6.485) 7.957 2.318 ( -0.267 -3.612 5.039) 6.205 2.605 ( 11.598 1.345 0.235) 11.679 2.646 ( 9.286 -2.307 -1.440) 9.676 2.850 ( 1.794 2.141 0.425) 2.826 2.891 ( 3.144 -1.759 2.630) 4.460 3.206 ( 3.235 4.583 -0.778) 5.663 3.320 ( 0.477 -6.232 -3.206) 7.024 3.673 ( -0.654 2.612 -0.955) 2.857 3.697 ( -3.697 0.255 -2.209) 4.315 3.891 ( -3.170 1.366 1.161) 3.641 3.936 ( -4.779 -2.773 1.549) 5.738 4.742 ( 0.427 2.436 -1.261) 2.777 4.800 ( -1.092 -3.435 -0.343) 3.620 4.955 ( -3.453 3.261 1.514) 4.985 5.011 ( -2.917 -2.145 3.299) 4.898 5.337 ( -2.133 1.812 0.190) 2.805 5.360 ( -3.519 -0.436 1.552) 3.871 5.785 ( -0.315 2.589 -0.326) 2.629 5.820 ( 0.942 -0.333 -0.399) 1.076 5.851 ( -6.185 1.330 1.718) 6.556 5.908 ( -6.814 -3.529 3.132) 8.288 6.417 ( 1.321 2.303 -2.759) 3.828 6.454 ( 0.403 -1.324 -1.430) 1.990 7.005 ( 4.065 2.120 0.901) 4.672 7.039 ( 3.302 -1.290 -0.613) 3.598 7.249 ( 2.191 1.871 -3.162) 4.278 7.292 ( 1.934 -2.458 -3.489) 4.686 7.449 ( 0.005 1.279 2.117) 2.473 7.484 ( -0.347 -2.077 1.348) 2.500 8.275 ( -6.848 6.989 -9.633) 13.731 8.414 ( -7.244 -6.580 -9.489) 13.631 8.514 ( 6.490 7.454 10.200) 14.203 8.653 ( 5.759 -6.189 9.088) 12.412 9.011 ( -0.358 -0.257 -0.429) 0.615 9.015 ( -1.347 -0.530 -1.489) 2.077 9.175 ( -2.471 3.289 -0.746) 4.181 9.247 ( -1.954 -3.628 0.694) 4.179 10.293 ( -3.298 1.939 -0.104) 3.827 10.326 ( -3.828 -1.292 -0.188) 4.045 15.764 ( 2.720 1.921 -2.717) 4.298 15.803 ( 3.676 -1.920 -3.259) 5.275 15.944 ( 4.374 1.895 6.471) 8.037 15.987 ( 4.812 -2.360 7.959) 9.595 16.521 ( -0.941 4.145 -0.967) 4.359 16.592 ( 0.638 -1.101 -0.223) 1.292 16.654 ( -1.588 -1.553 1.661) 2.773 16.680 ( 0.357 -2.301 1.928) 3.023 17.619 ( -8.765 2.793 -12.720) 15.698 17.675 ( -6.065 -2.676 -10.326) 12.271 17.930 ( -1.936 1.639 3.205) 4.088 17.972 ( -1.553 -2.417 6.426) 7.039 18.249 ( 1.145 1.479 -0.466) 1.928 18.281 ( 1.439 -1.597 -0.306) 2.172 18.473 ( 1.848 2.035 2.448) 3.681 18.555 ( 6.160 -5.837 4.023) 9.391 ======================= Grid point 48 (29/130) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.239 1.518 -2.493) 3.170 1.263 ( -2.136 -0.941 -1.764) 2.925 1.527 ( 7.142 2.792 9.634) 12.314 1.550 ( 7.937 0.782 10.331) 13.052 1.675 ( 2.210 3.965 -1.505) 4.782 1.743 ( 2.841 -2.897 -1.083) 4.200 1.935 ( 5.947 3.788 -7.640) 10.396 1.973 ( 3.007 0.617 -5.341) 6.160 2.070 ( -2.297 2.344 -5.401) 6.320 2.112 ( -0.374 -1.943 -2.177) 2.942 2.287 ( 2.524 0.707 2.219) 3.434 2.336 ( -1.121 -3.299 4.776) 5.912 2.830 ( 0.827 4.637 2.975) 5.571 2.839 ( 8.401 0.917 -1.935) 8.670 2.876 ( 14.235 -1.361 0.242) 14.302 2.923 ( 2.528 -3.260 -1.590) 4.421 3.257 ( -1.808 1.872 -0.378) 2.630 3.292 ( -2.894 -1.551 0.302) 3.298 3.625 ( -3.809 3.252 -1.157) 5.141 3.676 ( 1.788 -1.028 0.886) 2.245 3.808 ( -3.857 1.732 -0.516) 4.259 3.883 ( -1.432 -4.665 1.192) 5.023 4.719 ( -1.273 1.553 -2.640) 3.316 4.754 ( -2.965 -2.055 -1.730) 4.000 4.919 ( -1.880 3.231 1.567) 4.053 4.981 ( -2.329 -2.749 2.097) 4.169 5.302 ( -1.726 1.351 1.256) 2.526 5.319 ( -1.432 -0.193 0.109) 1.449 5.762 ( -3.084 2.033 2.237) 4.318 5.787 ( -0.823 1.000 -1.531) 2.005 5.815 ( -1.623 0.606 2.165) 2.773 5.862 ( -0.192 -2.673 0.726) 2.776 6.420 ( 0.761 1.807 -1.636) 2.554 6.449 ( 0.000 -0.992 -0.722) 1.227 7.078 ( 2.199 1.150 -0.012) 2.481 7.085 ( 3.184 0.618 -0.774) 3.335 7.268 ( 1.703 4.339 -1.607) 4.930 7.346 ( 5.172 -2.798 -1.350) 6.033 7.442 ( -1.975 0.780 1.405) 2.546 7.485 ( -1.778 -3.988 3.738) 5.748 8.116 ( -4.170 5.257 -6.616) 9.423 8.229 ( -5.774 -5.819 -7.986) 11.444 8.687 ( 5.260 5.954 8.167) 11.393 8.787 ( 3.323 -3.951 5.207) 7.332 8.986 ( -0.746 1.073 -1.610) 2.074 9.006 ( 0.123 -1.238 -0.174) 1.256 9.123 ( -2.247 3.478 -1.080) 4.279 9.208 ( -2.343 -4.468 -0.064) 5.046 10.249 ( -1.444 1.031 -0.170) 1.783 10.271 ( -2.196 -1.069 0.036) 2.442 15.767 ( 0.088 2.411 -1.794) 3.006 15.817 ( 0.868 -2.536 -2.054) 3.377 16.123 ( 7.905 2.058 7.111) 10.830 16.166 ( 7.899 -2.199 7.326) 10.995 16.494 ( -2.022 3.576 1.505) 4.375 16.570 ( -2.286 -3.608 1.136) 4.420 16.678 ( 2.134 1.508 1.857) 3.206 16.719 ( 2.122 -2.215 2.315) 3.843 17.330 ( -10.667 3.073 -14.151) 17.985 17.398 ( -11.282 -3.692 -15.361) 19.413 17.941 ( -0.392 1.526 3.269) 3.628 17.975 ( -1.626 -1.791 3.554) 4.299 18.268 ( 0.896 1.033 0.174) 1.379 18.301 ( 0.818 -2.291 0.183) 2.439 18.555 ( 3.451 5.614 2.942) 7.217 18.690 ( 4.709 -7.714 3.517) 9.699 ======================= Grid point 49 (30/130) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 1.267 0.000) 1.267 1.233 ( -0.000 -1.289 -0.000) 1.289 1.653 ( 0.000 2.885 0.000) 2.885 1.662 ( -0.000 2.197 -0.000) 2.197 1.742 ( 0.000 0.116 0.000) 0.116 1.746 ( -0.000 0.152 -0.000) 0.152 1.935 ( 0.000 4.241 -0.000) 4.241 1.979 ( 0.000 -0.029 0.000) 0.029 2.017 ( -0.000 4.062 0.000) 4.062 2.097 ( 0.000 -2.977 0.000) 2.977 2.326 ( -0.000 -1.848 0.000) 1.848 2.335 ( 0.000 -2.466 -0.000) 2.466 2.804 ( 0.000 4.295 0.000) 4.295 2.886 ( 0.000 -3.408 -0.000) 3.408 3.084 ( -0.000 5.128 -0.000) 5.128 3.097 ( 0.000 2.996 0.000) 2.996 3.130 ( 0.000 -1.945 0.000) 1.945 3.200 ( -0.000 -4.656 -0.000) 4.656 3.582 ( 0.000 6.449 0.000) 6.449 3.724 ( 0.000 -7.522 0.000) 7.522 3.756 ( -0.000 6.447 -0.000) 6.447 3.887 ( 0.000 -6.444 0.000) 6.444 4.691 ( 0.000 0.969 0.000) 0.969 4.709 ( -0.000 -0.869 0.000) 0.869 4.907 ( 0.000 2.910 -0.000) 2.910 4.965 ( -0.000 -2.760 -0.000) 2.760 5.293 ( 0.000 0.983 -0.000) 0.983 5.307 ( 0.000 -0.159 -0.000) 0.159 5.739 ( 0.000 2.485 0.000) 2.485 5.774 ( 0.000 -1.215 -0.000) 1.215 5.811 ( -0.000 2.787 -0.000) 2.787 5.866 ( 0.000 -2.530 0.000) 2.530 6.423 ( 0.000 1.556 -0.000) 1.556 6.447 ( -0.000 -0.776 0.000) 0.776 7.092 ( 0.000 1.829 0.000) 1.829 7.120 ( -0.000 -0.871 -0.000) 0.871 7.284 ( 0.000 8.780 -0.000) 8.780 7.411 ( 0.000 0.412 0.000) 0.412 7.419 ( -0.000 -0.718 0.000) 0.718 7.469 ( 0.000 -9.299 -0.000) 9.299 8.055 ( 0.000 3.969 0.000) 3.969 8.142 ( -0.000 -4.579 -0.000) 4.579 8.776 ( -0.000 3.674 -0.000) 3.674 8.830 ( 0.000 -1.497 0.000) 1.497 8.970 ( 0.000 3.033 0.000) 3.033 9.008 ( 0.000 -1.314 -0.000) 1.314 9.098 ( 0.000 2.193 0.000) 2.193 9.180 ( -0.000 -5.058 -0.000) 5.058 10.236 ( 0.000 0.476 0.000) 0.476 10.250 ( -0.000 -0.809 0.000) 0.809 15.761 ( 0.000 2.725 -0.000) 2.725 15.818 ( 0.000 -2.961 0.000) 2.961 16.231 ( 0.000 2.766 -0.000) 2.766 16.293 ( -0.000 -3.272 -0.000) 3.272 16.469 ( 0.000 4.328 0.000) 4.328 16.554 ( -0.000 -3.761 -0.000) 3.761 16.715 ( 0.000 1.819 -0.000) 1.819 16.764 ( 0.000 -2.619 0.000) 2.619 17.159 ( 0.000 2.094 0.000) 2.094 17.206 ( -0.000 -2.596 0.000) 2.596 17.949 ( 0.000 0.792 -0.000) 0.792 17.969 ( -0.000 -1.161 0.000) 1.161 18.278 ( 0.000 0.905 -0.000) 0.905 18.310 ( 0.000 -2.348 0.000) 2.348 18.599 ( 0.000 6.436 0.000) 6.436 18.746 ( 0.000 -8.098 -0.000) 8.098 ======================= Grid point 99 (31/130) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.343 0.000 14.652) 14.656 0.379 ( 3.855 0.000 19.246) 19.629 0.470 ( 3.269 0.000 20.727) 20.983 0.973 ( 3.658 0.000 8.924) 9.644 1.345 ( 0.464 0.000 -10.850) 10.860 1.411 ( -5.974 0.000 -5.225) 7.937 1.734 ( 8.456 0.000 3.206) 9.043 1.765 ( -3.280 0.000 -11.164) 11.636 1.852 ( -2.951 0.000 -10.569) 10.973 1.920 ( -6.676 0.000 -5.166) 8.441 1.996 ( -1.379 0.000 7.149) 7.281 2.186 ( 6.922 0.000 7.002) 9.846 2.335 ( 8.648 0.000 8.418) 12.069 2.600 ( 2.489 0.000 -3.563) 4.347 2.796 ( -0.371 0.000 -3.279) 3.299 2.934 ( -1.540 0.000 2.734) 3.137 3.190 ( 0.336 0.000 11.339) 11.344 3.457 ( -2.879 0.000 4.208) 5.099 3.477 ( 6.840 0.000 0.502) 6.858 3.666 ( 0.732 0.000 -2.957) 3.046 3.927 ( -4.901 0.000 -7.671) 9.103 4.210 ( 0.040 0.000 -4.418) 4.418 4.732 ( 0.173 0.000 3.537) 3.541 4.848 ( -8.898 0.000 4.368) 9.912 5.043 ( -1.030 0.000 5.444) 5.540 5.223 ( -6.959 0.000 -9.082) 11.442 5.337 ( 15.503 0.000 -0.434) 15.509 5.412 ( 12.203 0.000 -10.229) 15.923 5.741 ( 16.309 0.000 -0.587) 16.320 5.800 ( -4.626 0.000 6.797) 8.222 6.033 ( -2.473 0.000 -1.307) 2.797 6.220 ( -5.258 0.000 3.500) 6.317 6.286 ( 3.208 0.000 0.401) 3.233 6.440 ( 4.869 0.000 -3.830) 6.195 6.751 ( -0.053 0.000 4.563) 4.563 7.062 ( -0.369 0.000 -3.878) 3.895 7.090 ( 7.371 0.000 1.976) 7.632 7.264 ( -0.365 0.000 7.865) 7.873 7.297 ( 1.264 0.000 -0.448) 1.341 7.665 ( 0.979 0.000 3.318) 3.460 8.082 ( -10.792 0.000 -13.143) 17.006 8.253 ( -4.783 0.000 -10.648) 11.673 8.632 ( 6.035 0.000 8.321) 10.279 8.683 ( 9.409 0.000 10.016) 13.742 9.000 ( 0.120 0.000 -2.394) 2.397 9.210 ( -13.638 0.000 -6.074) 14.929 9.318 ( -0.840 0.000 1.946) 2.120 9.393 ( -5.084 0.000 1.447) 5.286 10.210 ( -0.628 0.000 0.061) 0.631 10.268 ( -0.237 0.000 -1.253) 1.276 15.591 ( 1.114 0.000 1.430) 1.813 15.594 ( -1.680 0.000 0.057) 1.681 15.867 ( 3.966 0.000 -0.547) 4.004 16.098 ( -14.079 0.000 -2.926) 14.380 16.339 ( -1.550 0.000 3.606) 3.925 16.490 ( -3.620 0.000 -3.845) 5.281 16.922 ( 0.121 0.000 1.596) 1.601 17.174 ( 15.755 0.000 2.302) 15.922 17.454 ( 1.607 0.000 -1.573) 2.249 17.883 ( -0.297 0.000 -5.949) 5.957 17.937 ( 40.027 0.000 6.986) 40.632 18.099 ( -6.217 0.000 2.517) 6.707 18.193 ( 0.603 0.000 0.572) 0.831 18.312 ( -0.270 0.000 -2.873) 2.886 19.026 ( -16.749 0.000 1.947) 16.862 19.219 ( -2.039 0.000 -2.481) 3.211 ======================= Grid point 100 (32/130) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 4.590 0.000 13.880) 14.619 0.611 ( 9.625 0.000 18.618) 20.959 0.732 ( 7.565 0.000 6.088) 9.711 1.154 ( 11.781 0.000 5.410) 12.964 1.362 ( 8.439 0.000 -14.278) 16.586 1.364 ( 1.893 0.000 8.572) 8.779 1.592 ( -4.400 0.000 -18.299) 18.820 1.745 ( -1.987 0.000 -7.421) 7.682 1.805 ( -2.000 0.000 -3.219) 3.789 1.879 ( 3.896 0.000 -0.053) 3.897 2.078 ( 5.062 0.000 9.590) 10.844 2.388 ( 10.228 0.000 5.424) 11.577 2.461 ( 0.043 0.000 4.342) 4.342 2.598 ( -0.865 0.000 -2.532) 2.676 2.780 ( 4.455 0.000 1.906) 4.846 2.912 ( -0.091 0.000 -3.221) 3.223 3.228 ( -3.019 0.000 10.030) 10.475 3.405 ( -4.667 0.000 -6.112) 7.690 3.631 ( 1.043 0.000 -0.189) 1.060 3.678 ( 9.139 0.000 0.233) 9.142 3.835 ( -1.212 0.000 2.480) 2.760 4.137 ( -6.862 0.000 -6.093) 9.177 4.718 ( -6.689 0.000 -3.562) 7.579 4.762 ( -0.233 0.000 4.744) 4.749 5.042 ( -1.871 0.000 4.063) 4.473 5.066 ( -2.154 0.000 -5.821) 6.207 5.467 ( 3.218 0.000 -0.956) 3.357 5.562 ( 10.748 0.000 -9.434) 14.301 5.728 ( -9.849 0.000 9.711) 13.832 5.839 ( -2.675 0.000 -3.540) 4.437 5.978 ( -1.535 0.000 -4.577) 4.828 6.123 ( -5.984 0.000 2.120) 6.348 6.291 ( -2.384 0.000 -0.946) 2.564 6.449 ( -0.313 0.000 0.675) 0.744 6.807 ( 2.487 0.000 4.971) 5.558 7.043 ( 1.299 0.000 -4.555) 4.737 7.174 ( 0.338 0.000 1.398) 1.438 7.319 ( 1.635 0.000 -3.885) 4.215 7.418 ( 8.866 0.000 14.838) 17.286 7.634 ( -7.417 0.000 -5.550) 9.264 7.891 ( -0.768 0.000 0.566) 0.954 8.088 ( -4.550 0.000 -10.479) 11.424 8.771 ( 4.035 0.000 5.257) 6.627 8.843 ( 0.954 0.000 1.535) 1.807 8.996 ( -5.805 0.000 -5.793) 8.201 9.022 ( 4.578 0.000 3.128) 5.544 9.301 ( -2.465 0.000 2.443) 3.470 9.355 ( -1.934 0.000 0.775) 2.083 10.233 ( 1.912 0.000 -0.373) 1.948 10.257 ( 0.027 0.000 -1.410) 1.410 15.587 ( 0.942 0.000 -0.821) 1.250 15.642 ( 3.298 0.000 2.260) 3.998 15.956 ( -3.626 0.000 -5.346) 6.460 15.971 ( 6.547 0.000 4.287) 7.826 16.360 ( 1.273 0.000 3.608) 3.826 16.414 ( -2.484 0.000 -1.064) 2.702 16.916 ( -1.671 0.000 1.600) 2.313 17.328 ( -1.245 0.000 -9.607) 9.687 17.483 ( 5.304 0.000 11.796) 12.933 17.775 ( -6.670 0.000 -9.546) 11.646 18.020 ( -2.681 0.000 -3.448) 4.367 18.179 ( -0.608 0.000 0.328) 0.691 18.281 ( -0.641 0.000 -2.412) 2.495 18.349 ( 4.330 0.000 0.714) 4.389 18.904 ( 1.721 0.000 8.236) 8.414 19.090 ( -9.553 0.000 -3.182) 10.069 ======================= Grid point 101 (33/130) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 8.174 0.000 11.096) 13.782 0.816 ( 4.125 0.000 -3.772) 5.589 0.943 ( 12.805 0.000 18.722) 22.682 1.330 ( -0.655 0.000 -20.943) 20.953 1.424 ( -2.776 0.000 -11.276) 11.613 1.438 ( 13.826 0.000 6.415) 15.242 1.565 ( 10.347 0.000 11.682) 15.605 1.738 ( 5.868 0.000 -6.763) 8.954 1.826 ( 6.481 0.000 -0.679) 6.516 1.897 ( -1.560 0.000 1.116) 1.918 2.240 ( 6.694 0.000 4.765) 8.217 2.429 ( -1.630 0.000 -1.763) 2.401 2.525 ( -4.688 0.000 -3.386) 5.783 2.594 ( 9.865 0.000 -1.158) 9.933 2.893 ( 0.764 0.000 -9.153) 9.185 2.982 ( 10.035 0.000 7.584) 12.578 3.212 ( -4.869 0.000 1.024) 4.976 3.274 ( -2.082 0.000 4.125) 4.621 3.623 ( 0.308 0.000 -0.131) 0.335 3.835 ( -0.120 0.000 -0.939) 0.947 3.889 ( -8.853 0.000 -7.379) 11.526 3.908 ( 4.393 0.000 6.508) 7.852 4.593 ( -1.511 0.000 -5.117) 5.336 4.750 ( -3.985 0.000 1.342) 4.205 5.059 ( 0.215 0.000 6.704) 6.708 5.066 ( 2.876 0.000 -1.871) 3.431 5.469 ( -2.447 0.000 -3.352) 4.150 5.547 ( -14.134 0.000 6.155) 15.416 5.661 ( 3.603 0.000 -5.626) 6.680 5.716 ( -7.288 0.000 1.203) 7.387 5.922 ( -1.845 0.000 -1.695) 2.506 6.080 ( 1.207 0.000 -1.147) 1.665 6.217 ( -4.464 0.000 -0.591) 4.503 6.461 ( 0.634 0.000 0.341) 0.719 6.888 ( 2.495 0.000 5.081) 5.661 7.032 ( -0.341 0.000 -6.537) 6.546 7.163 ( -2.306 0.000 2.384) 3.317 7.255 ( -2.511 0.000 -10.683) 10.974 7.478 ( -2.428 0.000 -3.171) 3.994 7.701 ( 10.258 0.000 13.676) 17.096 7.982 ( 4.127 0.000 9.598) 10.448 7.989 ( 0.131 0.000 -4.908) 4.910 8.774 ( -5.010 0.000 -5.187) 7.212 8.817 ( -3.400 0.000 -7.354) 8.102 8.889 ( 0.754 0.000 -0.200) 0.780 9.152 ( 4.305 0.000 3.692) 5.671 9.270 ( -2.791 0.000 4.784) 5.539 9.315 ( -2.951 0.000 0.350) 2.972 10.252 ( 0.343 0.000 -1.079) 1.132 10.263 ( 1.531 0.000 -0.025) 1.531 15.612 ( 2.274 0.000 -1.107) 2.529 15.747 ( 6.496 0.000 3.378) 7.322 15.857 ( -2.465 0.000 -6.667) 7.108 16.169 ( 10.043 0.000 9.975) 14.155 16.384 ( -1.542 0.000 1.955) 2.490 16.423 ( 2.724 0.000 3.674) 4.574 16.889 ( -2.308 0.000 1.754) 2.898 17.163 ( -8.480 0.000 -5.889) 10.324 17.533 ( -11.409 0.000 -11.978) 16.543 17.677 ( 6.864 0.000 7.780) 10.375 17.903 ( -6.234 0.000 -11.760) 13.310 18.178 ( 0.593 0.000 0.364) 0.696 18.276 ( 1.739 0.000 -1.767) 2.479 18.359 ( -4.319 0.000 8.192) 9.261 18.874 ( -11.582 0.000 -0.366) 11.588 19.034 ( 6.700 0.000 1.260) 6.817 ======================= Grid point 102 (34/130) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 8.958 0.000 4.129) 9.863 0.883 ( 6.364 0.000 -4.342) 7.704 1.164 ( -1.468 0.000 -17.788) 17.849 1.295 ( 11.885 0.000 18.247) 21.777 1.368 ( 1.762 0.000 -0.258) 1.781 1.708 ( 8.837 0.000 4.953) 10.131 1.777 ( 4.261 0.000 5.264) 6.773 1.797 ( 4.669 0.000 -4.486) 6.475 1.886 ( 2.956 0.000 3.173) 4.337 1.956 ( 3.412 0.000 -2.365) 4.151 2.387 ( 6.676 0.000 2.882) 7.271 2.420 ( 2.660 0.000 -1.610) 3.109 2.440 ( 1.417 0.000 -3.326) 3.616 2.716 ( 5.004 0.000 -8.247) 9.647 2.780 ( -0.739 0.000 -12.812) 12.833 3.114 ( 0.113 0.000 -1.090) 1.096 3.203 ( -0.577 0.000 8.398) 8.417 3.351 ( 4.021 0.000 9.404) 10.227 3.494 ( -14.876 0.000 -13.422) 20.036 3.624 ( -3.299 0.000 3.745) 4.991 3.979 ( 6.449 0.000 6.851) 9.409 4.033 ( 5.398 0.000 2.288) 5.862 4.632 ( 7.770 0.000 -3.133) 8.378 4.651 ( -5.738 0.000 -2.139) 6.124 5.086 ( -0.246 0.000 -3.001) 3.011 5.109 ( -0.409 0.000 5.823) 5.837 5.309 ( -15.429 0.000 6.278) 16.657 5.320 ( -8.580 0.000 -6.159) 10.562 5.646 ( -1.409 0.000 -2.564) 2.925 5.651 ( -1.761 0.000 2.087) 2.730 5.892 ( -1.926 0.000 1.839) 2.663 6.131 ( -4.794 0.000 0.135) 4.796 6.136 ( 6.318 0.000 -4.491) 7.751 6.462 ( -0.347 0.000 -0.944) 1.006 6.895 ( -6.408 0.000 -8.479) 10.628 6.963 ( 2.207 0.000 5.322) 5.761 7.133 ( -2.793 0.000 3.029) 4.120 7.236 ( 5.391 0.000 -5.414) 7.640 7.460 ( 0.796 0.000 -1.855) 2.018 7.862 ( 3.358 0.000 -2.001) 3.909 8.103 ( 8.553 0.000 12.646) 15.266 8.131 ( 4.733 0.000 10.787) 11.780 8.623 ( -7.137 0.000 -6.495) 9.650 8.634 ( -6.937 0.000 -12.939) 14.682 8.943 ( 2.621 0.000 1.398) 2.971 9.171 ( -2.116 0.000 0.253) 2.131 9.255 ( -3.674 0.000 0.025) 3.674 9.295 ( 0.517 0.000 5.298) 5.323 10.255 ( 0.576 0.000 -0.623) 0.848 10.288 ( 1.090 0.000 0.192) 1.107 15.640 ( 0.988 0.000 -0.474) 1.096 15.807 ( 2.083 0.000 -5.605) 5.979 15.917 ( 9.443 0.000 3.349) 10.019 16.367 ( -2.830 0.000 4.003) 4.903 16.429 ( 8.722 0.000 9.740) 13.074 16.495 ( 2.379 0.000 5.098) 5.626 16.866 ( -1.229 0.000 2.604) 2.879 16.988 ( -6.278 0.000 -4.868) 7.944 17.250 ( -10.600 0.000 -9.544) 14.263 17.637 ( -11.677 0.000 -15.924) 19.747 17.814 ( 3.958 0.000 4.141) 5.728 18.202 ( 1.352 0.000 0.151) 1.361 18.312 ( 3.197 0.000 -2.163) 3.861 18.313 ( -6.195 0.000 7.514) 9.739 18.705 ( -7.865 0.000 3.238) 8.505 19.135 ( 4.649 0.000 -2.269) 5.173 ======================= Grid point 103 (35/130) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 6.237 0.000 -3.072) 6.953 1.011 ( 7.919 0.000 1.622) 8.084 1.105 ( 5.002 0.000 -6.360) 8.092 1.434 ( -0.007 0.000 2.558) 2.558 1.563 ( 3.822 0.000 13.907) 14.423 1.686 ( -4.444 0.000 1.027) 4.561 1.838 ( 0.958 0.000 0.586) 1.123 1.902 ( -0.273 0.000 -3.733) 3.743 1.925 ( 3.305 0.000 -1.106) 3.485 1.985 ( 4.003 0.000 1.889) 4.426 2.431 ( 2.062 0.000 -1.563) 2.587 2.532 ( 4.650 0.000 -10.418) 11.408 2.632 ( 15.274 0.000 6.969) 16.789 2.667 ( 4.534 0.000 -1.093) 4.664 2.835 ( 6.528 0.000 -1.070) 6.615 2.925 ( -13.720 0.000 -10.348) 17.185 3.232 ( -2.605 0.000 8.064) 8.474 3.285 ( -3.746 0.000 -0.394) 3.767 3.476 ( 1.729 0.000 6.732) 6.951 3.559 ( -5.144 0.000 3.259) 6.089 4.113 ( 4.032 0.000 -4.515) 6.053 4.141 ( 5.183 0.000 1.700) 5.455 4.549 ( -3.134 0.000 -1.873) 3.651 4.778 ( 8.146 0.000 -0.932) 8.199 4.978 ( -5.284 0.000 -9.392) 10.777 5.042 ( -9.650 0.000 -1.321) 9.740 5.151 ( -5.815 0.000 8.234) 10.081 5.188 ( -2.303 0.000 -1.781) 2.911 5.616 ( -0.769 0.000 1.481) 1.668 5.644 ( -0.503 0.000 0.911) 1.041 5.869 ( -1.949 0.000 1.790) 2.646 6.051 ( -4.112 0.000 0.587) 4.154 6.228 ( 6.255 0.000 -3.703) 7.269 6.437 ( -1.074 0.000 -2.611) 2.823 6.790 ( -0.802 0.000 -0.590) 0.996 7.038 ( 2.052 0.000 4.770) 5.193 7.099 ( -3.356 0.000 4.207) 5.381 7.315 ( 5.623 0.000 -3.420) 6.582 7.465 ( 0.805 0.000 -1.567) 1.762 7.896 ( 2.660 0.000 -1.964) 3.307 8.251 ( -2.810 0.000 -5.892) 6.528 8.260 ( 0.624 0.000 4.534) 4.577 8.471 ( -3.448 0.000 -0.752) 3.529 8.508 ( 3.162 0.000 4.521) 5.517 8.988 ( 1.768 0.000 -0.345) 1.801 9.131 ( -2.233 0.000 0.603) 2.313 9.191 ( -3.001 0.000 -0.271) 3.013 9.311 ( -1.064 0.000 0.654) 1.249 10.264 ( 0.639 0.000 -0.196) 0.668 10.303 ( 0.429 0.000 -0.028) 0.430 15.647 ( 0.158 0.000 1.045) 1.057 15.857 ( 5.973 0.000 -3.823) 7.091 16.094 ( 7.610 0.000 -1.909) 7.846 16.325 ( -5.075 0.000 5.277) 7.321 16.469 ( -2.974 0.000 -1.822) 3.488 16.577 ( -1.993 0.000 3.288) 3.845 16.885 ( -0.723 0.000 -1.451) 1.621 16.888 ( -1.489 0.000 -4.029) 4.295 17.102 ( -1.274 0.000 1.940) 2.321 17.408 ( -1.560 0.000 0.367) 1.602 17.881 ( 2.131 0.000 0.270) 2.148 18.183 ( -6.636 0.000 4.911) 8.255 18.266 ( -0.388 0.000 -0.438) 0.585 18.354 ( 3.023 0.000 -2.649) 4.020 18.617 ( -4.990 0.000 3.725) 6.227 19.170 ( 2.172 0.000 -5.887) 6.275 ======================= Grid point 104 (36/130) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 2.494 0.000 -0.863) 2.639 1.086 ( -1.690 0.000 0.086) 1.692 1.298 ( 10.345 0.000 4.327) 11.213 1.330 ( -2.740 0.000 0.882) 2.878 1.497 ( -11.713 0.000 0.757) 11.737 1.706 ( 0.379 0.000 2.449) 2.478 1.873 ( -4.199 0.000 -4.217) 5.951 1.911 ( 2.866 0.000 -0.170) 2.871 1.968 ( 6.750 0.000 8.474) 10.834 2.002 ( -3.318 0.000 -2.341) 4.060 2.457 ( -1.058 0.000 -11.543) 11.591 2.462 ( 1.881 0.000 -1.193) 2.227 2.636 ( -10.933 0.000 -5.726) 12.342 2.762 ( 2.788 0.000 -2.579) 3.798 3.001 ( 15.683 0.000 9.442) 18.306 3.034 ( 10.979 0.000 11.425) 15.845 3.209 ( -5.080 0.000 7.129) 8.754 3.286 ( 2.888 0.000 6.284) 6.916 3.441 ( -8.338 0.000 -0.269) 8.343 3.513 ( -1.054 0.000 1.756) 2.048 4.097 ( -7.285 0.000 -8.996) 11.576 4.120 ( 1.142 0.000 -7.881) 7.963 4.539 ( 3.507 0.000 -2.234) 4.159 4.806 ( -2.521 0.000 -1.490) 2.929 4.871 ( -7.174 0.000 -0.300) 7.180 4.960 ( 8.186 0.000 -8.624) 11.890 5.103 ( -3.890 0.000 3.090) 4.967 5.188 ( 1.972 0.000 2.298) 3.028 5.638 ( -0.743 0.000 0.484) 0.886 5.649 ( 2.513 0.000 3.617) 4.404 5.850 ( -1.209 0.000 1.689) 2.077 5.999 ( -1.676 0.000 0.145) 1.682 6.300 ( 3.414 0.000 -1.546) 3.748 6.395 ( -0.758 0.000 -4.790) 4.849 6.870 ( 6.518 0.000 7.904) 10.245 7.027 ( -4.317 0.000 1.399) 4.538 7.125 ( 0.775 0.000 7.137) 7.179 7.379 ( 2.921 0.000 -1.433) 3.253 7.467 ( 0.461 0.000 -1.379) 1.454 7.933 ( 0.570 0.000 -1.654) 1.749 8.026 ( -7.374 0.000 -15.019) 16.732 8.139 ( -8.667 0.000 -6.334) 10.735 8.566 ( 6.267 0.000 9.326) 11.236 8.706 ( 7.837 0.000 12.655) 14.885 8.987 ( -1.171 0.000 -2.464) 2.728 9.106 ( -0.675 0.000 0.240) 0.716 9.162 ( 0.353 0.000 0.048) 0.356 9.265 ( -2.972 0.000 -3.423) 4.533 10.275 ( 0.479 0.000 0.246) 0.539 10.302 ( -0.296 0.000 -0.449) 0.538 15.675 ( 1.486 0.000 3.284) 3.605 15.949 ( 5.402 0.000 -1.017) 5.497 16.080 ( -4.855 0.000 -9.677) 10.827 16.267 ( -4.341 0.000 5.320) 6.866 16.360 ( -6.980 0.000 -8.720) 11.169 16.529 ( -0.063 0.000 -0.550) 0.553 16.774 ( -4.883 0.000 -5.210) 7.140 16.875 ( 2.035 0.000 -2.697) 3.378 17.209 ( 6.982 0.000 12.058) 13.933 17.634 ( 14.127 0.000 18.207) 23.045 17.887 ( -0.787 0.000 -4.833) 4.897 18.072 ( -6.680 0.000 2.796) 7.241 18.258 ( -0.331 0.000 -1.756) 1.787 18.387 ( 2.730 0.000 -2.702) 3.841 18.556 ( -4.384 0.000 2.858) 5.233 19.141 ( 0.175 0.000 -8.902) 8.903 ======================= Grid point 105 (37/130) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -14.220 0.000 -4.036) 14.782 1.048 ( -2.707 0.000 1.566) 3.128 1.221 ( -16.631 0.000 -3.017) 16.903 1.397 ( 8.470 0.000 6.118) 10.448 1.589 ( 9.898 0.000 12.552) 15.985 1.649 ( -8.051 0.000 -8.204) 11.495 1.774 ( -3.382 0.000 -0.826) 3.482 1.884 ( -5.372 0.000 -0.151) 5.374 1.935 ( 0.209 0.000 -0.151) 0.258 2.132 ( 2.354 0.000 8.204) 8.535 2.382 ( 0.768 0.000 -7.932) 7.969 2.424 ( -5.704 0.000 -6.660) 8.769 2.477 ( -4.438 0.000 2.690) 5.190 2.751 ( -1.351 0.000 -4.047) 4.267 3.112 ( -6.586 0.000 -0.322) 6.594 3.145 ( -3.231 0.000 -0.577) 3.283 3.219 ( -11.137 0.000 -4.671) 12.077 3.347 ( 8.922 0.000 20.924) 22.747 3.431 ( 2.524 0.000 5.590) 6.133 3.648 ( 15.301 0.000 4.519) 15.954 3.880 ( -6.039 0.000 -7.769) 9.840 4.048 ( -4.244 0.000 -5.257) 6.756 4.607 ( 6.360 0.000 -8.242) 10.410 4.753 ( -1.852 0.000 -0.829) 2.029 4.809 ( -0.394 0.000 2.476) 2.507 5.052 ( 7.503 0.000 -7.681) 10.737 5.066 ( -0.724 0.000 0.552) 0.911 5.258 ( 2.841 0.000 2.424) 3.734 5.621 ( -1.896 0.000 1.396) 2.355 5.738 ( 4.720 0.000 1.521) 4.959 5.854 ( -0.101 0.000 4.273) 4.274 5.995 ( 1.600 0.000 -1.598) 2.262 6.330 ( 0.056 0.000 1.019) 1.021 6.357 ( 1.074 0.000 -6.650) 6.736 6.946 ( -5.085 0.000 0.645) 5.126 7.081 ( 8.356 0.000 9.289) 12.494 7.168 ( -0.908 0.000 5.527) 5.601 7.407 ( 1.050 0.000 1.916) 2.185 7.468 ( 0.571 0.000 -0.222) 0.612 7.697 ( -10.693 0.000 -16.524) 19.682 7.949 ( -7.199 0.000 -5.652) 9.152 8.041 ( 4.407 0.000 3.488) 5.620 8.736 ( 5.642 0.000 7.642) 9.499 8.871 ( -0.072 0.000 0.620) 0.624 8.961 ( 2.933 0.000 5.502) 6.235 9.102 ( -0.259 0.000 -2.804) 2.816 9.174 ( -2.780 0.000 -3.880) 4.773 9.200 ( 3.178 0.000 0.585) 3.232 10.283 ( 0.173 0.000 0.594) 0.619 10.289 ( -0.623 0.000 -0.702) 0.939 15.733 ( 1.305 0.000 4.813) 4.987 15.891 ( -8.051 0.000 -7.298) 10.866 16.024 ( 1.667 0.000 5.174) 5.436 16.132 ( -7.975 0.000 -13.339) 15.541 16.266 ( 1.284 0.000 3.754) 3.967 16.538 ( -1.395 0.000 0.968) 1.698 16.709 ( 0.848 0.000 -2.924) 3.045 16.916 ( 4.006 0.000 -2.088) 4.518 17.463 ( 10.237 0.000 14.167) 17.478 17.766 ( -6.778 0.000 -8.889) 11.178 18.004 ( -1.611 0.000 -3.808) 4.135 18.011 ( 12.248 0.000 16.212) 20.319 18.229 ( -1.753 0.000 -0.740) 1.903 18.441 ( 4.546 0.000 1.786) 4.884 18.492 ( -2.968 0.000 -0.130) 2.971 19.075 ( -0.402 0.000 -9.600) 9.609 ======================= Grid point 106 (38/130) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -14.125 0.000 -1.207) 14.176 0.891 ( -17.539 0.000 -2.015) 17.654 0.978 ( -6.323 0.000 1.249) 6.445 1.379 ( -12.572 0.000 -9.170) 15.561 1.614 ( -12.305 0.000 0.163) 12.306 1.620 ( 9.342 0.000 9.030) 12.993 1.803 ( 5.717 0.000 9.349) 10.959 1.901 ( 2.770 0.000 2.461) 3.706 1.908 ( -3.718 0.000 -0.269) 3.728 2.120 ( -6.703 0.000 6.117) 9.075 2.259 ( -7.241 0.000 -5.761) 9.253 2.396 ( 4.618 0.000 -8.572) 9.737 2.405 ( -4.940 0.000 0.018) 4.940 2.621 ( -10.393 0.000 -4.024) 11.145 2.917 ( -14.387 0.000 -9.150) 17.050 2.966 ( -2.915 0.000 -5.520) 6.242 3.076 ( -5.037 0.000 0.683) 5.083 3.532 ( 5.453 0.000 2.287) 5.913 3.616 ( 4.775 0.000 17.040) 17.697 3.780 ( 1.140 0.000 -3.628) 3.802 3.931 ( -5.150 0.000 2.004) 5.526 3.935 ( 7.343 0.000 0.728) 7.379 4.656 ( 5.710 0.000 -9.559) 11.135 4.795 ( 5.880 0.000 6.897) 9.064 4.845 ( 1.571 0.000 2.869) 3.272 5.103 ( 5.132 0.000 -2.613) 5.759 5.116 ( 4.453 0.000 -6.926) 8.234 5.301 ( 1.657 0.000 -1.636) 2.329 5.585 ( -3.477 0.000 2.633) 4.361 5.802 ( 2.675 0.000 -2.953) 3.984 5.923 ( 3.068 0.000 7.909) 8.483 6.030 ( 4.207 0.000 -3.675) 5.586 6.317 ( -3.093 0.000 3.600) 4.746 6.353 ( 3.027 0.000 -6.833) 7.474 6.863 ( -4.046 0.000 -0.077) 4.047 7.153 ( -3.401 0.000 0.295) 3.414 7.184 ( -0.728 0.000 0.914) 1.168 7.423 ( -0.309 0.000 -4.391) 4.401 7.423 ( -8.562 0.000 -10.811) 13.791 7.573 ( 6.168 0.000 13.774) 15.092 7.835 ( -1.094 0.000 -1.506) 1.862 8.164 ( 5.227 0.000 6.772) 8.555 8.774 ( -5.036 0.000 -6.886) 8.531 8.839 ( 0.729 0.000 1.437) 1.611 9.004 ( -3.428 0.000 -7.295) 8.060 9.105 ( 4.980 0.000 7.568) 9.059 9.187 ( 2.971 0.000 1.230) 3.216 9.277 ( 4.225 0.000 2.369) 4.844 10.275 ( -0.298 0.000 -0.611) 0.680 10.288 ( -0.112 0.000 0.608) 0.618 15.724 ( -6.073 0.000 -3.764) 7.145 15.752 ( -2.752 0.000 4.175) 5.000 15.939 ( -4.344 0.000 -10.554) 11.413 16.118 ( 3.167 0.000 12.503) 12.898 16.348 ( 4.370 0.000 3.917) 5.869 16.488 ( -4.328 0.000 1.881) 4.719 16.746 ( 4.253 0.000 -2.123) 4.753 16.984 ( 5.277 0.000 -3.706) 6.448 17.564 ( -7.603 0.000 -10.955) 13.335 17.719 ( 8.316 0.000 10.196) 13.158 17.913 ( -3.649 0.000 -12.366) 12.893 18.196 ( -1.457 0.000 0.143) 1.464 18.205 ( 2.609 0.000 5.345) 5.948 18.401 ( -6.691 0.000 4.704) 8.179 18.679 ( 15.954 0.000 4.428) 16.557 19.023 ( 1.124 0.000 -6.591) 6.687 ======================= Grid point 107 (39/130) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -11.851 0.000 3.700) 12.415 0.555 ( -17.762 0.000 -2.685) 17.963 0.832 ( -10.299 0.000 0.297) 10.303 1.104 ( -13.980 0.000 -2.973) 14.293 1.436 ( -6.377 0.000 5.477) 8.406 1.737 ( -9.198 0.000 -2.504) 9.533 1.819 ( 3.186 0.000 2.650) 4.144 1.900 ( -4.617 0.000 -3.692) 5.912 1.933 ( 2.787 0.000 4.743) 5.501 2.059 ( -4.352 0.000 8.715) 9.742 2.122 ( -5.793 0.000 3.635) 6.839 2.273 ( -8.081 0.000 -7.637) 11.119 2.287 ( -7.762 0.000 -13.977) 15.987 2.515 ( 2.601 0.000 -2.653) 3.715 2.682 ( -2.397 0.000 -5.487) 5.988 2.933 ( -1.859 0.000 3.294) 3.782 3.025 ( 0.024 0.000 -0.038) 0.045 3.601 ( 0.650 0.000 -2.820) 2.893 3.635 ( -7.587 0.000 4.347) 8.744 3.719 ( -4.457 0.000 -5.402) 7.003 3.981 ( 2.984 0.000 9.879) 10.320 4.060 ( 8.740 0.000 0.755) 8.772 4.686 ( 2.449 0.000 -3.807) 4.527 4.913 ( 4.234 0.000 2.141) 4.745 4.972 ( 3.127 0.000 7.366) 8.002 5.129 ( 2.014 0.000 -6.521) 6.825 5.185 ( 6.768 0.000 -6.820) 9.608 5.313 ( 2.954 0.000 -3.428) 4.525 5.536 ( -3.180 0.000 1.904) 3.707 5.819 ( 1.160 0.000 -1.511) 1.905 6.030 ( 3.243 0.000 5.006) 5.964 6.103 ( 6.383 0.000 -3.680) 7.368 6.274 ( -4.585 0.000 6.062) 7.601 6.363 ( 2.018 0.000 -5.152) 5.533 6.803 ( -3.037 0.000 0.874) 3.161 7.044 ( -3.896 0.000 -8.670) 9.505 7.146 ( -2.217 0.000 -1.045) 2.451 7.283 ( -3.916 0.000 0.871) 4.011 7.365 ( -2.477 0.000 -3.931) 4.646 7.657 ( -1.698 0.000 2.346) 2.896 7.994 ( 11.799 0.000 12.367) 17.093 8.309 ( 5.199 0.000 7.756) 9.337 8.621 ( -6.227 0.000 -8.181) 10.281 8.721 ( -7.790 0.000 -10.609) 13.162 8.981 ( 1.616 0.000 -0.376) 1.659 9.224 ( 4.544 0.000 2.809) 5.342 9.254 ( 2.868 0.000 1.834) 3.404 9.376 ( 3.689 0.000 5.565) 6.676 10.273 ( 0.388 0.000 -0.536) 0.662 10.287 ( -0.281 0.000 0.157) 0.322 15.623 ( -3.337 0.000 -1.297) 3.581 15.704 ( -4.609 0.000 3.302) 5.670 15.840 ( -0.466 0.000 -6.873) 6.888 16.294 ( 5.017 0.000 18.067) 18.751 16.421 ( -4.481 0.000 2.679) 5.221 16.459 ( 4.417 0.000 4.884) 6.585 16.818 ( 4.337 0.000 -0.436) 4.359 17.022 ( 2.031 0.000 -10.493) 10.688 17.384 ( -4.057 0.000 -9.047) 9.915 17.700 ( -8.379 0.000 -17.474) 19.379 17.869 ( 3.253 0.000 3.281) 4.620 18.181 ( -0.352 0.000 0.135) 0.377 18.263 ( 2.276 0.000 2.075) 3.080 18.304 ( -7.175 0.000 4.552) 8.497 18.987 ( 13.484 0.000 3.835) 14.019 19.043 ( 4.148 0.000 -1.610) 4.450 ======================= Grid point 108 (40/130) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( -6.330 0.000 11.113) 12.789 0.273 ( -10.323 0.000 6.725) 12.321 0.583 ( -19.489 0.000 9.886) 21.853 0.919 ( -4.788 0.000 5.621) 7.384 1.461 ( 3.538 0.000 2.377) 4.263 1.498 ( -9.799 0.000 -7.809) 12.530 1.724 ( -8.125 0.000 -4.910) 9.494 1.854 ( -0.684 0.000 -3.467) 3.534 1.954 ( -1.802 0.000 -3.015) 3.512 2.031 ( -8.334 0.000 2.190) 8.617 2.048 ( -3.327 0.000 4.952) 5.966 2.102 ( -1.934 0.000 -8.386) 8.606 2.143 ( 0.618 0.000 6.533) 6.562 2.563 ( 4.154 0.000 -4.058) 5.807 2.733 ( 6.438 0.000 -0.096) 6.439 2.929 ( -2.311 0.000 7.927) 8.257 3.084 ( 3.671 0.000 5.915) 6.961 3.482 ( -5.370 0.000 -6.353) 8.318 3.519 ( -7.145 0.000 4.530) 8.461 3.668 ( 0.481 0.000 -3.183) 3.219 4.030 ( -1.390 0.000 -2.008) 2.442 4.228 ( 7.246 0.000 -4.048) 8.300 4.707 ( 0.874 0.000 1.455) 1.698 4.966 ( -5.293 0.000 6.713) 8.549 5.001 ( 1.975 0.000 5.192) 5.555 5.058 ( -1.870 0.000 -3.505) 3.972 5.274 ( 9.811 0.000 -9.978) 13.993 5.358 ( -0.346 0.000 -3.100) 3.119 5.536 ( 2.963 0.000 3.909) 4.905 5.822 ( -1.072 0.000 1.821) 2.113 6.073 ( -1.151 0.000 1.391) 1.805 6.200 ( 6.034 0.000 -2.131) 6.399 6.251 ( -2.614 0.000 6.543) 7.046 6.370 ( 2.427 0.000 -1.753) 2.993 6.756 ( -3.131 0.000 2.921) 4.282 6.986 ( 3.346 0.000 -4.670) 5.745 7.102 ( -1.474 0.000 -2.494) 2.897 7.252 ( -1.957 0.000 4.357) 4.776 7.304 ( -1.651 0.000 -1.443) 2.193 7.641 ( -0.495 0.000 1.438) 1.521 8.249 ( 4.090 0.000 3.911) 5.659 8.393 ( -2.558 0.000 -5.200) 5.796 8.502 ( 0.627 0.000 4.683) 4.725 8.528 ( -2.375 0.000 -4.565) 5.146 9.003 ( 1.075 0.000 -1.344) 1.721 9.299 ( 3.027 0.000 -2.483) 3.915 9.303 ( 1.089 0.000 1.900) 2.190 9.472 ( 2.174 0.000 3.077) 3.768 10.268 ( -0.966 0.000 -2.700) 2.868 10.280 ( -0.332 0.000 -0.600) 0.686 15.583 ( -0.925 0.000 0.313) 0.977 15.643 ( -3.840 0.000 1.838) 4.257 15.825 ( 2.296 0.000 -3.783) 4.425 16.365 ( -3.687 0.000 3.332) 4.970 16.496 ( -1.710 0.000 0.021) 1.710 16.541 ( 1.779 0.000 2.360) 2.956 16.862 ( -4.185 0.000 -5.393) 6.826 16.887 ( 2.697 0.000 1.077) 2.904 17.310 ( 2.410 0.000 0.840) 2.552 17.523 ( -0.389 0.000 0.355) 0.526 17.901 ( 0.763 0.000 -2.187) 2.317 18.183 ( 0.354 0.000 0.204) 0.409 18.201 ( -7.532 0.000 5.094) 9.093 18.311 ( 2.024 0.000 -1.158) 2.332 19.135 ( 5.083 0.000 -1.981) 5.455 19.186 ( 6.500 0.000 0.322) 6.508 ======================= Grid point 109 (41/130) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 2.981 6.750 13.897) 15.734 0.434 ( 0.533 7.732 13.783) 15.813 0.612 ( 2.324 12.106 15.876) 20.099 1.029 ( 4.155 5.077 7.745) 10.150 1.315 ( -1.678 -2.146 -9.590) 9.969 1.426 ( -2.354 1.080 -5.493) 6.073 1.719 ( 4.707 -0.501 0.070) 4.734 1.799 ( -1.184 1.960 -7.259) 7.612 1.864 ( -3.698 0.959 -11.065) 11.706 1.920 ( -5.546 0.029 -3.570) 6.595 1.997 ( -1.524 0.228 5.392) 5.608 2.165 ( 5.320 -1.704 6.250) 8.382 2.323 ( 8.850 0.230 9.232) 12.791 2.607 ( 1.795 -1.070 -2.223) 3.051 2.750 ( -2.522 -1.063 -1.626) 3.184 2.912 ( -1.647 -3.296 -1.408) 3.944 3.192 ( 0.502 0.479 12.148) 12.167 3.511 ( 0.812 3.714 -2.615) 4.614 3.542 ( 1.186 4.094 0.376) 4.278 3.639 ( 0.137 -2.320 -3.305) 4.040 3.926 ( -1.928 -0.346 -4.982) 5.353 4.185 ( 1.127 -2.227 -3.643) 4.416 4.721 ( -2.317 -0.951 5.478) 6.024 4.885 ( -4.269 3.286 3.145) 6.238 5.061 ( -3.016 1.841 3.613) 5.054 5.181 ( 4.738 -5.521 -0.901) 7.331 5.267 ( 1.666 -1.314 -3.532) 4.120 5.424 ( 10.807 0.141 -8.822) 13.951 5.650 ( 2.196 -2.292 6.083) 6.861 5.818 ( -1.058 1.052 4.365) 4.612 6.093 ( -2.553 2.537 -0.992) 3.733 6.231 ( -1.081 -1.160 0.173) 1.595 6.304 ( 3.678 1.416 -0.640) 3.992 6.450 ( 0.651 0.954 -2.977) 3.193 6.763 ( -0.076 1.148 4.455) 4.602 7.076 ( 0.321 1.025 -4.024) 4.165 7.096 ( 6.037 0.525 0.997) 6.142 7.245 ( -0.530 -1.307 5.851) 6.018 7.311 ( 0.933 0.875 1.226) 1.771 7.686 ( 1.500 1.958 3.213) 4.051 8.058 ( -6.409 -4.592 -11.319) 13.794 8.300 ( -7.923 5.889 -11.050) 14.818 8.594 ( 5.061 -2.128 8.370) 10.010 8.783 ( 7.865 4.639 1.364) 9.232 9.011 ( 1.691 0.918 -3.067) 3.621 9.178 ( -10.722 -2.493 -3.260) 11.480 9.301 ( -1.322 -1.573 1.421) 2.498 9.370 ( -0.749 -1.518 1.276) 2.119 10.236 ( 0.120 2.481 0.450) 2.524 10.418 ( -1.692 9.109 -10.217) 13.792 15.587 ( -0.542 -0.259 0.489) 0.775 15.601 ( -0.015 0.542 0.981) 1.121 15.879 ( 3.037 0.997 -0.811) 3.298 16.069 ( -10.239 -2.354 -0.722) 10.531 16.351 ( -1.654 1.178 2.436) 3.171 16.500 ( -3.449 0.971 -4.019) 5.384 16.896 ( 0.384 -2.417 1.241) 2.744 17.113 ( 15.954 -7.415 2.374) 17.752 17.367 ( 2.407 -5.116 8.772) 10.436 17.734 ( 16.217 -7.048 16.325) 24.066 17.951 ( 7.938 0.166 -4.000) 8.891 18.109 ( -3.418 -0.349 1.213) 3.643 18.186 ( 0.213 -0.631 0.696) 0.964 18.312 ( -0.496 -0.066 -1.930) 1.994 18.697 ( -14.324 -15.252 15.655) 26.132 19.166 ( -2.061 -5.097 -3.280) 6.402 ======================= Grid point 110 (42/130) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 3.671 8.992 11.078) 14.733 0.660 ( 10.330 3.862 16.030) 19.458 0.805 ( 6.209 7.453 7.278) 12.127 1.199 ( 10.153 4.230 2.592) 11.300 1.297 ( 6.004 -2.787 -1.685) 6.830 1.436 ( 5.594 3.532 -3.357) 7.419 1.618 ( -4.223 2.352 -17.664) 18.313 1.757 ( -1.583 1.211 -6.797) 7.083 1.793 ( -1.481 -1.184 -2.452) 3.100 1.878 ( 3.899 0.065 -0.719) 3.966 2.082 ( 4.661 0.298 9.072) 10.204 2.347 ( 8.837 -3.055 5.624) 10.911 2.497 ( 1.483 2.642 4.252) 5.221 2.621 ( -0.734 1.847 -2.232) 2.989 2.688 ( 3.661 -6.893 3.442) 8.530 2.887 ( 0.894 -2.942 -4.914) 5.797 3.229 ( -3.008 -0.016 9.674) 10.131 3.415 ( -5.017 1.076 -6.450) 8.242 3.617 ( -0.455 -2.449 -2.345) 3.421 3.686 ( 9.288 1.645 1.856) 9.614 3.887 ( -0.530 4.035 1.674) 4.400 4.123 ( -6.307 -1.332 -5.083) 8.209 4.693 ( -4.104 -0.774 1.982) 4.623 4.843 ( -2.693 5.796 -0.011) 6.391 5.026 ( -1.887 -0.962 1.374) 2.525 5.077 ( -2.147 0.617 -3.028) 3.762 5.410 ( 5.996 -6.643 -2.311) 9.243 5.557 ( 8.910 0.224 -6.489) 11.025 5.651 ( -6.554 -4.641 8.202) 11.479 5.813 ( -3.540 1.042 2.720) 4.584 6.025 ( -3.398 2.032 -2.594) 4.733 6.168 ( -4.477 2.286 -1.014) 5.128 6.315 ( -3.329 2.195 -2.898) 4.930 6.430 ( 0.645 -1.597 1.605) 2.354 6.816 ( 2.323 0.919 4.969) 5.562 7.057 ( 1.133 1.161 -4.543) 4.824 7.158 ( -0.369 -1.441 1.231) 1.931 7.313 ( 2.441 -0.717 -2.464) 3.541 7.402 ( 7.171 -1.200 11.649) 13.731 7.652 ( -7.168 0.469 -7.620) 10.472 7.929 ( 0.995 3.241 3.023) 4.543 8.105 ( -5.352 2.849 -9.968) 11.668 8.746 ( 4.851 -2.067 7.120) 8.860 8.841 ( -1.384 -0.876 -2.552) 3.032 8.999 ( -4.723 0.481 -2.804) 5.514 9.049 ( 3.050 1.662 -0.297) 3.486 9.273 ( -2.545 -2.031 0.641) 3.318 9.376 ( -0.368 0.836 1.603) 1.845 10.232 ( -0.715 1.631 0.257) 1.800 10.341 ( -0.948 5.555 -3.627) 6.702 15.590 ( 1.162 0.279 -0.611) 1.342 15.643 ( 3.231 0.081 2.001) 3.801 15.939 ( -0.501 -0.943 -2.013) 2.279 15.984 ( 2.984 0.671 1.807) 3.552 16.355 ( 0.209 -0.059 1.635) 1.649 16.436 ( -1.198 1.839 -0.275) 2.212 16.894 ( -1.411 -2.131 1.397) 2.913 17.223 ( -1.371 -9.510 -6.799) 11.771 17.496 ( 6.549 1.388 11.661) 13.446 17.785 ( -5.442 0.620 -8.139) 9.810 18.013 ( -2.414 -0.623 -3.245) 4.093 18.162 ( 0.073 -1.760 1.072) 2.061 18.251 ( 1.523 -3.083 -0.316) 3.453 18.341 ( 3.902 -0.857 0.727) 4.060 18.691 ( 5.605 -14.550 15.132) 21.727 19.036 ( -8.954 -5.203 -4.025) 11.110 ======================= Grid point 111 (43/130) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 7.001 6.485 9.439) 13.423 0.898 ( 5.179 6.854 -1.354) 8.697 0.980 ( 11.761 4.022 16.286) 20.487 1.322 ( 1.763 -0.296 -15.217) 15.322 1.433 ( -1.103 1.210 -10.008) 10.141 1.472 ( 11.104 2.531 0.919) 11.426 1.584 ( 8.427 1.626 8.238) 11.896 1.755 ( 4.524 1.898 -4.882) 6.921 1.820 ( 7.173 -0.531 -0.465) 7.207 1.915 ( 0.039 1.512 0.457) 1.580 2.228 ( 5.822 -1.099 4.349) 7.350 2.415 ( -1.706 -1.241 -1.766) 2.751 2.548 ( -3.948 2.015 -2.658) 5.169 2.592 ( 9.399 -0.378 -0.322) 9.412 2.841 ( 2.880 -4.741 -5.078) 7.521 2.914 ( 7.059 -4.906 0.720) 8.626 3.238 ( -2.654 0.414 8.549) 8.961 3.308 ( -1.320 4.260 -0.082) 4.461 3.612 ( 1.388 -1.431 -0.187) 2.002 3.813 ( -2.087 -1.852 -1.542) 3.187 3.891 ( -4.318 0.418 -2.383) 4.950 3.945 ( -0.129 2.976 0.544) 3.028 4.614 ( -1.856 2.035 -2.589) 3.780 4.775 ( -4.254 2.256 -0.857) 4.891 5.054 ( 2.631 -0.061 1.965) 3.285 5.082 ( 0.899 1.068 3.706) 3.960 5.418 ( -3.812 -5.875 -3.251) 7.721 5.531 ( -11.074 -0.941 5.396) 12.355 5.637 ( 2.632 0.494 -3.161) 4.143 5.750 ( -3.522 1.785 1.841) 4.357 5.939 ( -3.628 1.011 -2.666) 4.615 6.103 ( -0.848 2.010 -1.638) 2.728 6.224 ( -4.054 0.551 -1.104) 4.238 6.461 ( 1.129 0.077 0.533) 1.251 6.895 ( 2.429 0.757 5.099) 5.698 7.042 ( -0.973 0.814 -6.350) 6.475 7.133 ( -1.280 -2.040 -0.367) 2.436 7.281 ( -1.435 1.499 -7.275) 7.565 7.481 ( -2.800 0.194 -2.961) 4.080 7.657 ( 9.042 -3.645 12.356) 15.739 7.972 ( -1.472 0.826 -5.271) 5.534 8.072 ( 5.808 6.076 9.739) 12.864 8.728 ( -5.960 -3.411 -7.961) 10.514 8.836 ( 0.186 0.366 -0.238) 0.475 8.902 ( -1.516 1.588 -3.690) 4.294 9.133 ( 3.280 -1.653 3.568) 5.121 9.222 ( -3.433 -2.557 1.070) 4.413 9.370 ( -1.695 2.710 2.547) 4.087 10.224 ( 0.101 -0.313 -0.364) 0.490 10.321 ( -0.231 3.157 -0.818) 3.269 15.619 ( 2.341 0.662 -0.933) 2.605 15.743 ( 6.135 -0.381 2.082) 6.490 15.865 ( -1.903 0.797 -4.713) 5.145 16.156 ( 9.233 -1.238 9.722) 13.464 16.367 ( -0.104 -0.689 1.699) 1.837 16.455 ( 1.683 2.330 2.949) 4.118 16.871 ( -2.033 -1.774 1.645) 3.160 17.093 ( -6.899 -6.289 -5.015) 10.597 17.549 ( -11.448 1.233 -11.550) 16.308 17.685 ( 5.584 0.655 5.890) 8.142 17.904 ( -5.558 0.186 -10.085) 11.516 18.170 ( 0.912 -0.672 0.449) 1.218 18.261 ( 1.204 -1.498 -0.548) 1.999 18.349 ( -3.765 -0.931 7.008) 8.010 18.820 ( -9.421 -5.379 -0.482) 10.859 18.933 ( 8.522 -8.506 3.403) 12.512 ======================= Grid point 112 (44/130) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 8.398 5.045 2.275) 10.058 0.991 ( 6.189 8.464 -2.331) 10.741 1.182 ( -1.094 1.968 -15.045) 15.212 1.277 ( 8.762 -0.489 8.304) 12.081 1.420 ( 4.437 3.785 6.707) 8.888 1.714 ( 10.671 0.152 3.639) 11.275 1.771 ( 3.364 -1.441 -0.439) 3.686 1.794 ( 2.852 1.874 3.861) 5.153 1.918 ( 1.253 1.548 0.064) 1.993 1.964 ( 5.307 1.382 -2.051) 5.855 2.336 ( 4.277 -3.200 0.117) 5.343 2.407 ( 4.343 -0.974 -1.032) 4.569 2.502 ( 1.991 4.168 -0.613) 4.660 2.729 ( 7.140 0.671 -5.143) 8.825 2.754 ( -1.156 -1.959 -14.239) 14.420 3.041 ( 2.932 -5.223 0.925) 6.061 3.236 ( -2.430 1.584 6.773) 7.368 3.378 ( 2.617 2.422 8.079) 8.831 3.514 ( -13.590 1.825 -11.792) 18.085 3.636 ( -2.279 1.095 3.309) 4.164 3.948 ( 5.426 -2.795 5.669) 8.329 4.027 ( 4.611 -0.537 2.094) 5.093 4.621 ( 0.711 0.284 -1.625) 1.796 4.701 ( 0.549 3.432 -2.778) 4.449 5.094 ( 0.917 0.535 -2.201) 2.443 5.118 ( -1.325 0.666 4.588) 4.821 5.229 ( -13.008 -4.801 -0.286) 13.869 5.364 ( -8.927 1.654 -0.243) 9.082 5.636 ( -0.948 1.040 -0.096) 1.411 5.699 ( -2.994 2.662 1.042) 4.140 5.887 ( -1.936 -0.539 1.016) 2.252 6.085 ( -1.600 -2.256 -1.824) 3.312 6.187 ( 2.263 2.722 -2.377) 4.264 6.468 ( -0.406 0.466 -0.690) 0.926 6.907 ( -5.087 1.156 -6.607) 8.418 6.975 ( 2.075 1.133 4.066) 4.703 7.136 ( -0.752 0.310 1.863) 2.033 7.254 ( 3.385 1.572 -4.253) 5.658 7.457 ( 0.535 -0.315 -1.744) 1.852 7.851 ( 4.821 -1.612 1.540) 5.312 7.978 ( 3.718 -5.581 6.377) 9.254 8.271 ( 7.194 7.640 12.306) 16.173 8.543 ( -7.414 -4.253 -9.582) 12.840 8.716 ( -6.112 4.457 -9.066) 11.807 8.936 ( 2.434 -0.608 1.296) 2.823 9.159 ( -2.488 -1.233 0.240) 2.787 9.189 ( -0.802 -3.747 2.018) 4.331 9.354 ( -1.934 2.843 2.879) 4.484 10.231 ( 0.933 -1.239 -0.449) 1.615 10.314 ( -0.311 1.540 0.036) 1.571 15.648 ( 0.983 0.771 -0.426) 1.320 15.801 ( 2.574 -0.529 -5.045) 5.688 15.932 ( 8.845 1.378 3.238) 9.520 16.354 ( -1.255 -1.404 5.977) 6.267 16.418 ( 7.858 -0.826 8.187) 11.378 16.509 ( 1.603 1.438 3.480) 4.093 16.853 ( -0.895 -1.236 2.649) 3.057 16.947 ( -5.208 -3.851 -4.289) 7.769 17.260 ( -10.922 0.892 -9.852) 14.736 17.606 ( -10.609 -2.649 -15.095) 18.640 17.845 ( 2.336 2.685 3.739) 5.162 18.198 ( 1.321 -0.351 0.233) 1.386 18.273 ( -2.028 -2.371 3.142) 4.428 18.330 ( -0.432 0.252 1.959) 2.021 18.670 ( -7.061 -3.301 2.872) 8.307 19.076 ( 5.815 -5.536 -1.225) 8.122 ======================= Grid point 113 (45/130) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 6.377 5.092 -0.876) 8.208 1.082 ( 7.870 3.561 -2.512) 8.996 1.140 ( 3.432 5.592 -4.556) 7.988 1.424 ( 2.276 -0.501 2.955) 3.764 1.594 ( 1.868 2.546 11.956) 12.366 1.710 ( -5.352 2.323 0.452) 5.852 1.822 ( 2.672 -1.503 0.145) 3.069 1.890 ( 0.234 -0.229 -0.898) 0.956 1.923 ( 3.436 -0.179 -0.843) 3.542 2.025 ( 3.129 3.040 0.354) 4.376 2.402 ( 3.247 -2.827 -3.767) 5.721 2.516 ( 4.630 -0.812 -4.709) 6.654 2.641 ( 10.880 0.491 3.292) 11.378 2.697 ( 4.939 2.522 -1.686) 5.797 2.832 ( 6.196 0.414 -0.791) 6.260 2.941 ( -8.474 0.940 -8.145) 11.791 3.237 ( -3.052 0.335 6.810) 7.470 3.293 ( -3.113 0.983 -0.324) 3.281 3.485 ( 0.143 0.638 5.513) 5.552 3.577 ( -5.275 1.930 4.266) 7.053 4.066 ( 4.041 -4.234 -3.766) 6.960 4.130 ( 4.591 -1.283 1.549) 5.013 4.562 ( -2.454 1.303 -1.654) 3.233 4.791 ( 6.129 1.042 -0.500) 6.237 4.953 ( -9.193 -2.629 -6.107) 11.346 5.059 ( -3.512 2.113 -3.534) 5.412 5.124 ( -3.875 -1.168 3.469) 5.330 5.236 ( -3.973 2.797 0.294) 4.868 5.610 ( -1.504 0.481 1.523) 2.194 5.677 ( -0.587 2.247 1.248) 2.636 5.861 ( -2.011 -0.673 1.509) 2.603 6.028 ( -3.232 -1.973 0.157) 3.790 6.248 ( 5.269 1.814 -3.031) 6.344 6.443 ( -1.148 0.570 -1.983) 2.362 6.825 ( -0.177 3.364 -0.525) 3.409 7.045 ( 1.833 0.719 4.364) 4.788 7.116 ( -3.028 1.531 4.336) 5.506 7.318 ( 5.279 0.276 -3.336) 6.250 7.459 ( 0.721 -0.556 -1.482) 1.739 7.898 ( 2.741 0.287 -1.874) 3.333 8.080 ( -1.170 -9.047 0.804) 9.158 8.375 ( -0.834 0.058 -2.206) 2.359 8.447 ( -1.676 3.656 0.768) 4.094 8.585 ( 1.098 5.128 2.920) 6.003 8.977 ( 1.423 -1.088 -0.366) 1.828 9.120 ( -1.672 -1.135 0.643) 2.120 9.164 ( -2.263 -1.986 0.004) 3.011 9.331 ( -2.007 1.250 0.219) 2.375 10.249 ( 1.131 -1.183 -0.218) 1.651 10.307 ( -0.506 0.198 0.012) 0.544 15.655 ( 0.148 0.790 1.028) 1.305 15.852 ( 5.651 -0.428 -3.619) 6.725 16.105 ( 7.491 1.030 -1.641) 7.738 16.324 ( -4.665 -0.064 5.112) 6.921 16.475 ( -3.387 0.380 -1.825) 3.866 16.563 ( -1.112 -1.028 2.378) 2.820 16.859 ( -0.810 -2.544 -3.247) 4.204 16.879 ( -1.058 -0.876 -1.678) 2.168 17.107 ( -1.338 0.442 1.861) 2.334 17.386 ( -1.487 -2.020 0.193) 2.515 17.896 ( 1.379 1.327 0.728) 2.048 18.170 ( -6.781 -1.247 4.946) 8.485 18.258 ( 0.661 -0.578 -0.878) 1.242 18.356 ( 2.654 0.180 -2.462) 3.624 18.590 ( -4.580 -2.511 3.421) 6.243 19.128 ( 2.465 -4.054 -5.415) 7.200 ======================= Grid point 114 (46/130) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 2.114 5.058 0.290) 5.490 1.167 ( -1.691 6.852 -1.469) 7.209 1.291 ( 11.187 -0.649 6.465) 12.937 1.342 ( -4.642 1.623 -2.772) 5.646 1.497 ( -10.915 0.279 -0.404) 10.926 1.732 ( 1.428 2.372 3.617) 4.555 1.873 ( -3.906 0.051 -5.532) 6.772 1.915 ( 1.498 -0.707 -0.358) 1.695 1.953 ( 4.878 0.894 8.672) 9.990 2.051 ( -0.294 3.314 0.022) 3.328 2.409 ( 1.376 -2.924 -8.557) 9.147 2.488 ( -1.124 0.719 -2.581) 2.906 2.642 ( -8.463 0.669 -5.292) 10.004 2.783 ( 1.036 1.838 -4.580) 5.043 2.959 ( 14.366 -2.173 10.597) 17.984 3.076 ( 9.271 2.280 8.907) 13.056 3.213 ( -4.141 0.641 7.113) 8.256 3.308 ( 3.270 1.578 5.665) 6.729 3.438 ( -6.704 -0.272 -0.711) 6.747 3.522 ( -2.298 1.102 2.652) 3.678 4.049 ( -3.123 -3.695 -8.631) 9.894 4.117 ( -2.679 -1.227 -6.293) 6.949 4.563 ( 3.807 2.150 -1.910) 4.771 4.800 ( -1.771 -0.763 -1.174) 2.258 4.849 ( -3.946 -1.178 0.323) 4.130 5.004 ( 3.159 3.338 -9.054) 10.153 5.082 ( -1.711 -1.051 2.616) 3.298 5.218 ( 1.124 2.043 0.778) 2.458 5.620 ( 0.679 -0.296 2.671) 2.772 5.685 ( 0.722 2.082 1.527) 2.681 5.839 ( -1.197 -0.934 1.474) 2.116 5.985 ( -1.384 -1.330 0.025) 1.920 6.313 ( 3.136 1.255 -1.307) 3.622 6.406 ( -0.762 1.031 -3.807) 4.017 6.904 ( 6.074 3.294 7.154) 9.946 7.038 ( -3.967 1.019 1.398) 4.328 7.137 ( 0.456 1.129 7.012) 7.117 7.379 ( 2.994 0.078 -1.394) 3.303 7.460 ( 0.339 -0.652 -1.330) 1.520 7.901 ( -7.822 -5.419 -10.205) 13.953 7.960 ( 1.826 -1.125 -0.848) 2.306 8.241 ( -8.638 6.970 -10.565) 15.324 8.521 ( 6.859 -3.626 10.107) 12.741 8.751 ( 6.576 3.497 10.668) 13.011 8.973 ( -1.022 -1.295 -2.128) 2.693 9.106 ( -0.707 -0.083 0.027) 0.713 9.135 ( 0.026 -2.209 0.024) 2.209 9.279 ( -2.495 0.877 -3.283) 4.216 10.266 ( 0.588 -0.781 0.283) 1.018 10.296 ( -0.410 -0.580 -0.457) 0.845 15.682 ( 1.423 0.700 3.207) 3.578 15.936 ( 4.744 -1.166 -1.392) 5.080 16.093 ( -4.878 1.138 -8.445) 9.819 16.273 ( -4.242 0.608 4.153) 5.967 16.352 ( -6.637 -0.787 -8.469) 10.788 16.532 ( 0.451 0.279 -0.871) 1.020 16.769 ( -4.846 -0.579 -5.056) 7.027 16.851 ( 1.903 -2.190 -2.440) 3.791 17.217 ( 7.229 0.755 12.244) 14.238 17.607 ( 13.807 -2.505 17.469) 22.407 17.894 ( -1.073 0.669 -3.931) 4.129 18.064 ( -6.364 -0.858 2.499) 6.891 18.257 ( -0.213 -0.059 -1.660) 1.675 18.384 ( 2.571 -0.198 -3.027) 3.976 18.533 ( -4.157 -2.091 2.884) 5.474 19.101 ( -0.176 -3.918 -8.712) 9.554 ======================= Grid point 115 (47/130) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -13.767 5.362 -3.649) 15.219 1.119 ( -3.172 6.263 0.870) 7.074 1.215 ( -14.941 -0.424 -3.557) 15.365 1.409 ( 7.320 0.934 4.322) 8.552 1.562 ( 7.916 -1.144 9.152) 12.155 1.684 ( -6.726 2.270 -5.583) 9.031 1.805 ( -1.444 3.029 0.696) 3.427 1.880 ( -4.566 -0.023 1.703) 4.873 1.966 ( -0.567 2.654 -1.116) 2.935 2.144 ( 1.890 1.127 8.004) 8.301 2.348 ( -1.288 -2.077 -7.737) 8.114 2.452 ( -2.533 0.036 -1.333) 2.862 2.483 ( -5.507 2.052 -2.202) 6.276 2.756 ( -1.533 0.493 -4.246) 4.541 3.060 ( -8.929 -3.580 -2.157) 9.859 3.165 ( -2.405 0.482 1.127) 2.700 3.224 ( -9.419 0.101 -3.821) 10.165 3.298 ( 5.127 -2.822 15.105) 16.199 3.481 ( 5.794 3.632 8.387) 10.822 3.673 ( 14.740 2.103 5.804) 15.980 3.866 ( -6.343 -1.327 -6.726) 9.340 4.033 ( -3.351 -1.481 -5.288) 6.433 4.636 ( 6.081 2.673 -7.106) 9.727 4.763 ( -2.368 0.955 -0.507) 2.603 4.804 ( 0.193 -0.444 2.071) 2.127 5.012 ( 2.695 -2.105 -4.519) 5.667 5.104 ( 3.639 1.922 -3.207) 5.218 5.266 ( 2.358 0.715 1.375) 2.822 5.635 ( -1.094 1.532 2.033) 2.771 5.744 ( 4.418 0.270 1.900) 4.817 5.842 ( 0.047 -0.880 2.619) 2.763 5.985 ( 1.796 -1.176 -1.111) 2.418 6.341 ( 0.365 1.241 0.228) 1.314 6.374 ( 0.631 1.465 -4.888) 5.142 6.955 ( -4.971 0.980 0.789) 5.127 7.101 ( 7.044 1.725 8.461) 11.144 7.176 ( -0.682 0.837 5.126) 5.238 7.410 ( 0.889 0.265 1.613) 1.861 7.459 ( 0.553 -0.893 0.009) 1.051 7.653 ( -8.757 -3.650 -12.651) 15.813 8.005 ( -5.551 4.335 -5.191) 8.750 8.058 ( 1.987 2.236 0.645) 3.060 8.710 ( 6.390 -2.484 8.585) 10.987 8.859 ( -1.791 -1.271 -2.278) 3.164 8.973 ( 3.595 1.217 6.380) 7.424 9.092 ( -0.811 -0.981 -2.531) 2.833 9.145 ( 0.128 -1.783 -0.341) 1.820 9.230 ( 1.199 1.739 -2.627) 3.371 10.261 ( -1.066 -1.277 0.030) 1.664 10.300 ( 1.023 0.292 -0.119) 1.070 15.738 ( 1.199 0.486 4.640) 4.817 15.896 ( -7.363 0.501 -7.055) 10.210 16.014 ( 0.898 -0.973 4.835) 5.013 16.116 ( -8.046 -1.367 -11.408) 14.026 16.286 ( 1.515 1.838 2.144) 3.204 16.544 ( -1.086 0.574 0.691) 1.410 16.702 ( 0.673 -0.656 -2.916) 3.063 16.887 ( 3.464 -2.675 -1.842) 4.749 17.475 ( 10.321 1.178 14.162) 17.564 17.763 ( -6.222 -0.273 -8.302) 10.379 17.985 ( 6.428 -1.766 8.060) 10.460 18.001 ( 3.632 -1.008 3.711) 5.289 18.231 ( -1.536 0.202 -0.540) 1.641 18.432 ( 4.612 -0.827 0.682) 4.735 18.473 ( -3.383 -1.816 0.699) 3.903 19.022 ( -1.564 -4.992 -9.506) 10.850 ======================= Grid point 116 (48/130) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -12.509 7.026 -0.816) 14.371 0.905 ( -16.040 1.382 -2.484) 16.290 1.039 ( -6.636 5.517 0.729) 8.661 1.377 ( -11.424 -0.222 -8.763) 14.399 1.625 ( -1.484 2.237 5.256) 5.902 1.666 ( -1.921 3.285 3.317) 5.049 1.794 ( 6.166 -0.904 7.725) 9.925 1.899 ( -0.166 1.024 2.902) 3.082 1.937 ( -2.495 1.758 -0.607) 3.112 2.131 ( -6.393 0.787 5.541) 8.497 2.245 ( -5.610 -1.056 -5.026) 7.606 2.387 ( -5.303 -1.488 -1.228) 5.643 2.429 ( 2.762 2.605 -6.757) 7.750 2.628 ( -9.778 0.661 -2.822) 10.199 2.849 ( -9.715 -3.899 -6.425) 12.283 3.004 ( -7.088 -0.174 -7.557) 10.362 3.085 ( -5.256 2.132 0.753) 5.722 3.480 ( 6.227 -3.387 7.985) 10.678 3.632 ( 1.624 0.781 6.851) 7.084 3.808 ( -0.031 2.127 -0.645) 2.223 3.903 ( 5.307 -1.495 4.533) 7.138 3.966 ( 0.615 1.397 -1.027) 1.839 4.672 ( 3.300 1.144 -6.479) 7.360 4.779 ( 3.992 -0.476 1.664) 4.351 4.868 ( 5.089 1.658 4.555) 7.028 5.040 ( 3.022 -3.641 -5.050) 6.920 5.164 ( 5.846 2.259 -4.564) 7.753 5.298 ( 0.835 0.039 -0.473) 0.960 5.609 ( -3.321 2.255 2.421) 4.688 5.823 ( 2.953 1.660 -2.481) 4.199 5.895 ( 4.012 -2.257 5.516) 7.184 6.033 ( 4.426 -0.395 -2.098) 4.914 6.335 ( -2.210 1.893 3.074) 4.233 6.365 ( 2.247 1.272 -5.823) 6.370 6.872 ( -4.139 0.992 0.073) 4.256 7.147 ( -3.611 -0.496 0.727) 3.717 7.196 ( -1.127 1.050 0.508) 1.622 7.380 ( -3.593 -1.651 -5.964) 7.156 7.461 ( -4.037 0.932 -5.771) 7.104 7.584 ( 7.134 0.997 12.349) 14.296 7.862 ( -2.614 2.819 -3.920) 5.491 8.175 ( 5.222 1.385 7.282) 9.067 8.745 ( -5.466 -2.617 -7.876) 9.938 8.836 ( 2.317 -0.661 3.139) 3.957 9.003 ( -3.438 0.118 -5.953) 6.875 9.104 ( 4.266 -0.153 5.903) 7.284 9.178 ( 3.030 -0.904 1.304) 3.420 9.287 ( 4.157 0.706 1.612) 4.515 10.241 ( -0.927 -1.490 -0.239) 1.771 10.324 ( 1.531 1.717 0.235) 2.312 15.726 ( -5.366 0.183 -2.788) 6.049 15.764 ( -3.587 1.073 3.238) 4.950 15.930 ( -3.988 -0.841 -9.835) 10.646 16.101 ( 2.726 -1.652 11.938) 12.356 16.363 ( 4.271 1.445 3.441) 5.672 16.497 ( -4.076 0.902 1.730) 4.518 16.736 ( 4.047 -0.979 -2.199) 4.709 16.947 ( 4.551 -3.556 -3.146) 6.577 17.561 ( -7.801 -0.152 -10.830) 13.348 17.725 ( 6.888 0.352 7.753) 10.377 17.911 ( -2.498 -0.109 -10.167) 10.470 18.166 ( 0.504 -1.932 3.278) 3.838 18.222 ( 0.909 0.747 2.466) 2.733 18.389 ( -6.460 -1.157 4.469) 7.940 18.651 ( 15.283 -2.698 4.288) 16.101 18.939 ( -1.488 -7.543 -6.127) 9.831 ======================= Grid point 117 (49/130) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -8.725 10.053 3.307) 13.716 0.603 ( -15.057 4.544 -2.664) 15.952 0.891 ( -10.632 5.259 1.087) 11.911 1.119 ( -11.537 1.522 -4.535) 12.489 1.462 ( -7.929 2.524 4.886) 9.650 1.742 ( -9.760 0.381 -3.062) 10.236 1.831 ( 2.800 0.924 2.531) 3.885 1.890 ( -4.238 -0.771 -3.571) 5.595 1.938 ( 3.649 0.520 4.747) 6.010 2.054 ( -4.629 -0.473 5.386) 7.118 2.131 ( -6.538 0.616 5.358) 8.476 2.236 ( -7.252 -1.296 -8.356) 11.139 2.352 ( -6.065 3.819 -10.137) 12.415 2.547 ( 2.864 2.838 -2.512) 4.750 2.640 ( -4.147 -3.193 -3.405) 6.244 2.949 ( 1.077 -0.764 1.814) 2.244 3.010 ( -3.104 0.716 0.027) 3.185 3.590 ( 0.655 -0.717 -0.640) 1.163 3.636 ( -3.246 -0.688 4.498) 5.589 3.730 ( -4.241 1.333 -3.396) 5.594 3.948 ( -0.128 -1.895 0.120) 1.903 4.088 ( 7.524 1.174 4.989) 9.104 4.687 ( 0.984 -0.449 -0.239) 1.108 4.870 ( 5.034 -1.674 -0.341) 5.315 5.009 ( 2.269 -0.507 -1.813) 2.948 5.069 ( 4.412 -0.580 3.633) 5.745 5.249 ( 6.931 3.316 -7.540) 10.765 5.302 ( 1.462 -0.509 -0.469) 1.617 5.555 ( -3.292 1.949 1.075) 3.974 5.835 ( -0.252 0.733 -0.036) 0.776 6.033 ( 7.664 -0.590 1.860) 7.909 6.103 ( 4.492 0.157 -2.524) 5.156 6.305 ( -3.613 2.602 5.113) 6.780 6.374 ( 2.157 1.504 -4.575) 5.277 6.811 ( -3.105 0.909 1.026) 3.394 7.047 ( -3.514 0.258 -6.890) 7.739 7.155 ( -2.149 0.929 -1.168) 2.617 7.287 ( -3.607 0.518 0.759) 3.722 7.376 ( -2.960 0.803 -3.591) 4.723 7.677 ( -1.485 1.961 1.163) 2.721 7.980 ( 10.731 -1.904 10.183) 14.916 8.327 ( 5.689 2.427 8.653) 10.636 8.579 ( -6.283 -3.174 -8.750) 11.230 8.778 ( -5.242 4.009 -8.625) 10.860 8.973 ( 1.570 -0.779 -0.277) 1.774 9.202 ( 3.484 -1.688 2.400) 4.555 9.249 ( 3.380 -0.796 1.408) 3.747 9.375 ( 2.724 -0.509 4.565) 5.340 10.228 ( -0.289 -0.944 -0.264) 1.022 10.363 ( 3.031 3.882 -0.186) 4.928 15.629 ( -3.320 0.497 -1.248) 3.582 15.705 ( -4.899 0.082 2.645) 5.568 15.847 ( 0.044 0.636 -5.598) 5.634 16.249 ( 2.618 -4.041 15.578) 16.305 16.438 ( -3.522 1.368 2.944) 4.790 16.471 ( 4.338 1.221 4.734) 6.536 16.803 ( 4.082 -1.483 -0.647) 4.391 16.978 ( 1.379 -4.124 -8.756) 9.776 17.363 ( -5.985 -1.369 -9.080) 10.961 17.662 ( -7.623 -2.890 -14.666) 16.780 17.907 ( 2.404 2.794 1.633) 4.032 18.166 ( -0.480 -1.294 0.691) 1.544 18.271 ( 2.824 0.639 0.956) 3.049 18.295 ( -7.060 -0.882 4.801) 8.583 18.893 ( -1.836 -12.047 0.516) 12.197 18.950 ( 12.986 -3.647 3.631) 13.969 ======================= Grid point 118 (50/130) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -7.403 9.642 3.331) 12.604 0.419 ( -5.049 10.723 8.406) 14.531 0.656 ( -16.146 7.316 9.430) 20.078 0.972 ( -3.113 4.850 3.860) 6.936 1.424 ( -1.944 -2.402 -1.173) 3.305 1.518 ( -6.423 1.133 -5.733) 8.683 1.732 ( -6.917 0.739 -3.998) 8.024 1.861 ( -0.939 0.538 -2.653) 2.866 1.960 ( -1.294 0.555 -2.474) 2.847 2.027 ( -6.817 -0.565 4.367) 8.116 2.049 ( -4.309 0.402 2.230) 4.869 2.129 ( -1.551 -0.745 2.526) 3.057 2.180 ( 0.056 5.148 -8.248) 9.722 2.580 ( 2.909 0.161 -3.102) 4.256 2.697 ( 6.245 -1.636 1.468) 6.620 2.964 ( -2.359 0.199 0.010) 2.367 3.048 ( 4.519 -0.688 11.515) 12.389 3.526 ( -3.016 3.472 -2.463) 5.217 3.573 ( -3.691 3.191 -0.639) 4.921 3.668 ( -0.707 0.414 -2.953) 3.065 3.972 ( 0.571 -5.194 -1.099) 5.339 4.183 ( 2.757 -2.614 -3.863) 5.418 4.713 ( -0.180 -0.290 4.537) 4.549 4.923 ( -0.576 -1.025 3.475) 3.669 5.023 ( 3.289 -1.499 -1.624) 3.962 5.091 ( -4.208 4.221 5.633) 8.201 5.307 ( 8.563 1.546 -11.969) 14.798 5.353 ( -0.216 0.458 -1.044) 1.160 5.551 ( 2.675 1.556 3.172) 4.431 5.823 ( -1.755 -0.068 2.837) 3.337 6.125 ( 0.605 2.245 -1.983) 3.056 6.177 ( 5.556 -1.817 -0.500) 5.867 6.286 ( -1.163 1.743 2.282) 3.098 6.402 ( 3.761 3.407 -0.869) 5.149 6.767 ( -2.935 1.096 2.933) 4.291 7.001 ( 3.307 1.360 -4.341) 5.624 7.112 ( -1.265 1.013 -2.591) 3.056 7.250 ( -2.515 -0.063 3.611) 4.401 7.315 ( -1.770 0.757 -0.627) 2.025 7.659 ( -0.344 1.672 0.992) 1.974 8.165 ( 1.312 -6.404 0.226) 6.541 8.444 ( -0.704 1.572 -3.376) 3.790 8.496 ( 2.725 1.361 6.299) 6.997 8.642 ( 1.329 7.782 -7.608) 10.964 8.999 ( 1.511 -0.408 -1.278) 2.020 9.258 ( 1.779 -2.825 -0.484) 3.374 9.304 ( 1.595 -0.797 0.306) 1.809 9.414 ( -2.537 -4.184 3.335) 5.921 10.228 ( 0.373 0.904 -0.097) 0.983 10.433 ( 5.680 7.161 -5.124) 10.479 15.589 ( -0.909 0.494 0.471) 1.137 15.637 ( -3.708 -0.338 1.314) 3.949 15.844 ( 2.332 1.638 -3.057) 4.179 16.311 ( -6.312 -8.019 4.884) 11.314 16.419 ( -5.170 -1.929 2.468) 6.045 16.551 ( 1.081 1.090 0.826) 1.743 16.850 ( -1.644 -1.249 -2.924) 3.579 16.869 ( 1.923 -1.550 0.889) 2.625 17.257 ( -0.664 -2.714 2.674) 3.868 17.513 ( 0.058 -0.964 0.127) 0.974 17.928 ( 1.078 1.857 -2.796) 3.525 18.162 ( -1.347 -1.630 1.288) 2.476 18.205 ( -4.988 -0.057 3.252) 5.955 18.317 ( 1.602 0.464 -1.000) 1.944 18.843 ( -7.794 -17.463 7.486) 20.536 19.140 ( 6.224 -4.436 -0.105) 7.644 ======================= Grid point 119 (51/130) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.937 6.055 12.244) 13.692 0.654 ( 1.594 11.426 7.550) 13.787 0.868 ( 2.028 11.804 10.997) 16.260 1.122 ( 3.498 2.015 3.516) 5.354 1.309 ( -1.158 3.487 -5.877) 6.931 1.447 ( 0.403 1.149 -4.596) 4.755 1.724 ( 2.650 0.906 -0.568) 2.858 1.826 ( -1.581 0.739 -4.560) 4.882 1.880 ( -4.920 0.228 -10.672) 11.754 1.924 ( -3.496 0.501 -3.071) 4.680 2.009 ( -1.507 1.062 5.389) 5.695 2.134 ( 3.191 -1.148 3.313) 4.740 2.345 ( 8.312 1.234 7.235) 11.089 2.545 ( 0.306 -4.069 0.410) 4.101 2.774 ( -4.264 0.985 -5.330) 6.896 2.816 ( 1.311 -3.954 -1.153) 4.322 3.220 ( -0.927 1.915 9.697) 9.928 3.542 ( -1.738 -1.659 -3.565) 4.299 3.591 ( -1.097 -0.581 -3.176) 3.410 3.630 ( 1.210 4.257 -1.412) 4.646 3.910 ( 3.315 -1.199 1.696) 3.912 4.127 ( 0.658 -3.512 -3.106) 4.734 4.703 ( -2.868 -0.581 6.993) 7.581 4.963 ( -1.057 3.800 1.489) 4.216 5.066 ( 3.638 -3.986 2.964) 6.157 5.122 ( -2.100 2.978 0.562) 3.687 5.270 ( -4.721 0.490 -5.654) 7.382 5.417 ( 8.805 -0.801 -8.113) 12.000 5.647 ( -0.657 1.154 4.398) 4.595 5.848 ( 0.648 1.818 3.898) 4.350 6.119 ( -0.853 -0.460 -1.006) 1.397 6.209 ( -0.429 0.261 2.139) 2.197 6.310 ( 3.238 -0.561 -0.079) 3.287 6.467 ( -2.650 0.432 -2.389) 3.594 6.797 ( -0.206 2.236 4.231) 4.790 7.087 ( 2.985 -0.662 -0.898) 3.187 7.112 ( 0.690 1.469 -2.494) 2.975 7.230 ( -0.230 0.126 2.542) 2.555 7.326 ( 0.416 0.705 1.780) 1.959 7.722 ( -0.098 0.411 -0.164) 0.453 7.966 ( -2.167 -2.642 -4.240) 5.445 8.419 ( -4.703 4.454 -6.238) 8.993 8.547 ( 2.452 -1.859 4.070) 5.103 8.833 ( 2.899 0.882 -0.406) 3.058 9.024 ( 2.696 0.044 -2.745) 3.848 9.134 ( -6.301 -1.618 -1.201) 6.616 9.261 ( -1.053 -2.176 0.202) 2.426 9.338 ( 1.333 -1.785 -0.042) 2.228 10.303 ( 0.189 3.982 0.977) 4.104 10.536 ( -1.073 2.934 -8.187) 8.763 15.583 ( -0.245 -0.164 0.286) 0.410 15.609 ( -0.266 0.199 1.077) 1.127 15.900 ( 1.481 1.045 -0.453) 1.868 16.024 ( -5.102 -1.841 1.330) 5.584 16.384 ( -1.403 2.146 0.268) 2.578 16.526 ( -3.106 1.488 -4.670) 5.802 16.831 ( 0.832 -3.794 0.862) 3.979 16.943 ( 6.684 -7.130 4.031) 10.572 17.341 ( 5.393 1.258 11.353) 12.632 17.646 ( 10.999 -3.018 13.842) 17.935 17.952 ( 2.238 0.052 -4.153) 4.717 18.082 ( -3.396 -1.988 0.946) 4.047 18.173 ( -0.671 -0.512 0.946) 1.268 18.304 ( -1.261 -0.916 0.775) 1.741 18.537 ( -6.177 -3.046 4.193) 8.063 19.030 ( -2.105 -8.112 -4.853) 9.684 ======================= Grid point 120 (52/130) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 5.682 8.074 9.785) 13.900 0.752 ( 8.996 6.676 9.087) 14.424 1.002 ( 3.494 10.986 9.585) 14.992 1.249 ( 6.577 -1.847 -1.688) 7.037 1.303 ( 8.655 5.025 -2.277) 10.263 1.506 ( 5.370 3.715 -1.986) 6.824 1.673 ( -3.257 2.857 -15.293) 15.895 1.760 ( -2.215 -1.552 -1.725) 3.207 1.795 ( 1.241 2.000 -5.235) 5.740 1.888 ( 3.393 0.967 -1.800) 3.961 2.085 ( 3.656 -0.021 7.926) 8.729 2.285 ( 8.874 -2.882 5.714) 10.941 2.522 ( -2.983 -4.100 -0.219) 5.075 2.581 ( 9.523 0.756 9.250) 13.297 2.652 ( -2.461 -0.491 -4.599) 5.239 2.817 ( 0.684 -2.283 -5.506) 6.000 3.220 ( -3.366 -1.063 6.459) 7.361 3.461 ( -3.044 3.581 -3.508) 5.865 3.536 ( -0.078 -4.995 -4.202) 6.528 3.734 ( 5.975 2.593 1.688) 6.728 3.954 ( -0.520 2.124 1.009) 2.408 4.089 ( -3.492 -1.945 -1.875) 4.415 4.690 ( -2.811 0.240 4.761) 5.534 4.956 ( -2.714 4.190 -0.539) 5.021 5.020 ( -3.336 0.686 -1.153) 3.596 5.083 ( -1.990 0.253 0.063) 2.007 5.271 ( 5.091 -4.979 -1.602) 7.299 5.539 ( 6.782 -2.689 -3.237) 7.981 5.626 ( -2.695 1.799 3.048) 4.449 5.853 ( -3.597 2.189 3.273) 5.333 6.058 ( -5.112 1.439 -0.006) 5.311 6.196 ( -0.837 1.230 -0.525) 1.578 6.348 ( -6.866 0.212 -3.913) 7.906 6.398 ( 4.052 -1.114 1.732) 4.545 6.844 ( 1.941 1.819 4.868) 5.547 7.085 ( 1.028 1.661 -4.419) 4.832 7.118 ( -1.443 -2.495 1.585) 3.289 7.292 ( 3.185 -1.229 -1.442) 3.706 7.382 ( 4.413 -0.707 6.379) 7.789 7.619 ( -5.497 -3.442 -8.998) 11.092 8.020 ( 5.338 6.027 8.692) 11.847 8.210 ( -8.100 6.863 -11.086) 15.350 8.692 ( 5.492 -3.440 8.306) 10.535 8.802 ( -3.846 -2.840 -5.433) 7.237 9.010 ( -2.586 0.514 -0.613) 2.707 9.074 ( 0.946 0.883 -1.929) 2.323 9.231 ( -2.182 -2.020 -0.722) 3.060 9.369 ( 1.406 -1.495 1.026) 2.294 10.290 ( -2.249 3.789 0.908) 4.499 10.438 ( -3.294 3.652 -4.535) 6.690 15.597 ( 1.711 0.377 -0.222) 1.766 15.643 ( 3.169 -0.122 1.286) 3.422 15.927 ( -0.359 -0.211 -0.590) 0.722 15.991 ( 1.623 -0.072 2.511) 2.991 16.368 ( -0.341 1.351 -0.993) 1.711 16.476 ( 0.090 2.035 -0.543) 2.108 16.836 ( -0.847 -3.447 1.126) 3.723 17.012 ( -0.260 -10.058 -1.888) 10.237 17.536 ( 7.037 2.516 11.283) 13.534 17.788 ( -3.333 -0.429 -5.219) 6.207 17.996 ( -1.515 -1.011 -2.615) 3.187 18.103 ( 5.276 -4.164 6.296) 9.209 18.183 ( 1.669 -2.361 1.442) 3.231 18.317 ( 1.904 -1.527 1.411) 2.819 18.496 ( 1.454 -4.849 7.082) 8.705 18.898 ( -7.720 -8.056 -5.594) 12.482 ======================= Grid point 121 (53/130) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 5.823 8.428 7.123) 12.477 1.029 ( 10.486 5.900 6.089) 13.485 1.116 ( 5.564 8.681 7.408) 12.697 1.331 ( 3.615 1.127 -9.219) 9.967 1.474 ( -1.269 2.861 -9.474) 9.977 1.516 ( 11.655 1.494 -1.779) 11.884 1.615 ( 3.994 1.358 1.041) 4.345 1.784 ( 3.408 -1.138 -0.146) 3.596 1.840 ( 8.715 4.371 -1.665) 9.891 1.948 ( 2.413 1.692 -0.477) 2.986 2.202 ( 4.442 -1.337 3.894) 6.056 2.390 ( -1.684 -1.059 -1.381) 2.422 2.545 ( 6.839 -3.193 0.468) 7.562 2.610 ( 0.318 2.009 1.402) 2.471 2.739 ( 3.394 -4.124 -5.912) 7.968 2.836 ( 6.390 -2.216 -1.987) 7.049 3.225 ( -1.365 -1.336 9.040) 9.239 3.417 ( -0.876 5.613 0.529) 5.705 3.552 ( 4.355 -4.372 -0.682) 6.208 3.779 ( -4.927 -1.171 -1.618) 5.316 3.904 ( -2.380 0.796 -0.369) 2.537 4.008 ( -2.460 2.839 -2.362) 4.438 4.662 ( -1.945 2.305 1.584) 3.407 4.833 ( -4.601 3.552 -3.943) 7.024 5.040 ( 1.998 -2.283 0.950) 3.179 5.107 ( 0.561 1.386 6.300) 6.476 5.294 ( -2.014 -4.335 -2.178) 5.253 5.514 ( -7.070 -1.148 2.397) 7.553 5.671 ( 3.825 2.234 -2.153) 4.925 5.785 ( -3.937 1.660 2.419) 4.910 5.953 ( -5.710 0.570 -1.399) 5.906 6.139 ( -4.928 1.000 -2.259) 5.512 6.241 ( -1.416 1.451 -1.409) 2.469 6.462 ( 1.923 -0.176 0.714) 2.058 6.918 ( 2.277 1.487 5.053) 5.738 7.052 ( -3.262 -0.332 -4.549) 5.607 7.107 ( 2.270 -0.065 -2.282) 3.219 7.291 ( 0.520 -0.557 -4.686) 4.747 7.477 ( -1.267 -0.795 -0.652) 1.632 7.583 ( 6.208 -3.357 7.770) 10.497 8.022 ( -4.575 4.269 -8.393) 10.469 8.214 ( 7.213 7.714 11.768) 15.812 8.648 ( -6.805 -4.511 -9.113) 12.235 8.819 ( 3.069 -1.902 4.378) 5.675 8.949 ( -2.445 2.718 -4.711) 5.963 9.095 ( 0.920 -1.945 2.470) 3.276 9.179 ( -2.896 -1.805 -0.545) 3.456 9.391 ( -0.260 -0.818 1.868) 2.056 10.247 ( -2.185 2.435 -0.092) 3.273 10.375 ( -2.119 2.135 -0.962) 3.158 15.636 ( 2.607 0.988 -0.603) 2.853 15.732 ( 5.444 -0.728 -0.087) 5.493 15.889 ( -0.728 1.525 -0.864) 1.898 16.120 ( 7.140 -2.297 8.924) 11.657 16.370 ( 0.917 1.033 0.291) 1.412 16.504 ( 1.740 2.378 1.983) 3.552 16.823 ( -1.329 -2.880 1.514) 3.515 16.944 ( -4.322 -7.784 -3.046) 9.410 17.572 ( -11.077 1.051 -11.258) 15.829 17.694 ( 1.980 0.072 0.709) 2.104 17.916 ( -3.230 1.150 -4.704) 5.821 18.160 ( 1.635 -0.166 0.579) 1.742 18.220 ( 0.278 -2.473 2.297) 3.386 18.323 ( -2.470 -1.687 4.348) 5.277 18.669 ( 0.669 -8.540 2.204) 8.845 18.763 ( 3.311 -7.773 2.122) 8.711 ======================= Grid point 122 (54/130) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 7.203 6.836 1.265) 10.011 1.159 ( 3.184 7.282 -4.268) 9.022 1.256 ( 2.418 5.449 -4.306) 7.353 1.293 ( 6.107 2.293 -1.934) 6.804 1.498 ( 5.761 3.979 8.128) 10.728 1.700 ( 7.888 -1.358 -1.444) 8.134 1.757 ( 6.872 -0.222 5.652) 8.900 1.844 ( 2.693 1.979 1.747) 3.771 1.937 ( -2.154 1.589 -2.824) 3.891 2.011 ( 7.122 2.562 -1.554) 7.727 2.280 ( 2.994 -2.172 0.074) 3.699 2.387 ( 4.471 -0.770 -0.543) 4.569 2.591 ( 2.981 4.458 1.544) 5.580 2.688 ( 3.870 -2.806 -9.364) 10.513 2.758 ( 6.378 0.421 -5.666) 8.542 2.941 ( 4.364 -4.180 0.053) 6.043 3.252 ( -1.916 0.105 6.398) 6.680 3.424 ( -2.161 1.373 4.570) 5.238 3.563 ( -8.236 2.975 -7.466) 11.508 3.657 ( 0.750 0.684 4.063) 4.188 3.888 ( 1.281 -2.434 2.195) 3.519 4.013 ( 2.506 -0.894 1.854) 3.243 4.644 ( -1.638 1.695 -0.339) 2.382 4.775 ( 0.933 3.799 -2.442) 4.611 5.050 ( -3.435 -5.721 -0.311) 6.680 5.128 ( -2.694 0.256 2.324) 3.568 5.188 ( -4.781 1.667 -1.865) 5.396 5.384 ( -6.986 0.486 -0.093) 7.004 5.680 ( -1.143 2.773 0.448) 3.032 5.750 ( -3.351 2.535 1.873) 4.600 5.870 ( -1.728 -1.177 -0.530) 2.157 6.043 ( -3.890 -1.988 -1.252) 4.545 6.245 ( 2.431 3.141 -2.001) 4.448 6.476 ( -0.423 0.224 -0.076) 0.484 6.942 ( -2.186 2.339 -3.242) 4.556 7.003 ( 2.032 1.587 2.803) 3.808 7.146 ( 1.942 0.734 -0.108) 2.079 7.285 ( 1.724 1.134 -2.423) 3.183 7.452 ( -0.317 -0.045 -1.388) 1.425 7.767 ( 6.244 -6.141 9.785) 13.132 7.934 ( -0.638 0.978 -4.616) 4.762 8.419 ( 5.233 5.973 8.151) 11.379 8.457 ( -5.509 -3.257 -6.023) 8.788 8.803 ( -4.320 3.929 -6.461) 8.709 8.923 ( 1.602 -0.515 0.549) 1.770 9.113 ( -1.836 -3.018 1.776) 3.954 9.135 ( -0.674 -1.721 0.478) 1.909 9.380 ( -2.155 -0.483 1.660) 2.763 10.223 ( -0.281 0.517 -0.399) 0.711 10.337 ( -1.897 0.706 0.091) 2.027 15.670 ( 1.089 1.277 -0.379) 1.720 15.788 ( 3.184 -0.778 -4.050) 5.210 15.969 ( 7.871 2.237 3.514) 8.906 16.305 ( 2.988 -3.454 9.320) 10.379 16.413 ( 4.008 0.555 3.145) 5.125 16.547 ( 1.149 2.183 2.075) 3.224 16.820 ( -0.242 -1.948 2.731) 3.364 16.848 ( -3.242 -5.602 -2.921) 7.101 17.281 ( -11.143 1.197 -10.505) 15.361 17.544 ( -10.142 -3.410 -14.541) 18.053 17.907 ( 0.391 3.345 4.331) 5.487 18.190 ( -0.495 -0.676 1.491) 1.710 18.225 ( -0.599 -1.998 2.454) 3.221 18.325 ( 1.164 -0.648 0.899) 1.607 18.587 ( -4.989 -4.457 2.299) 7.074 18.934 ( 7.542 -8.129 0.568) 11.103 ======================= Grid point 123 (55/130) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 5.813 1.772 -2.093) 6.427 1.158 ( 2.927 5.970 -3.000) 7.294 1.310 ( 5.040 9.008 -3.602) 10.932 1.433 ( 4.798 1.867 2.142) 5.576 1.655 ( 1.234 3.572 9.347) 10.083 1.762 ( -6.686 2.082 -0.681) 7.035 1.789 ( 3.734 -1.548 -2.292) 4.647 1.908 ( 2.281 1.982 3.664) 4.750 1.921 ( 3.225 0.245 -0.174) 3.239 2.081 ( 2.678 2.223 -0.539) 3.522 2.334 ( 3.684 -3.383 -4.827) 6.951 2.501 ( 4.594 -1.017 1.023) 4.815 2.647 ( 4.161 0.396 -2.685) 4.968 2.762 ( 6.614 4.027 -0.301) 7.749 2.863 ( 7.411 2.316 0.042) 7.765 2.944 ( -0.240 -0.868 -4.661) 4.747 3.241 ( -2.705 0.070 3.382) 4.331 3.324 ( -4.280 1.770 1.273) 4.804 3.499 ( -2.940 0.935 3.080) 4.359 3.635 ( -4.849 3.723 5.371) 8.138 3.957 ( 3.884 -6.261 -2.969) 7.943 4.090 ( 2.907 -2.695 1.990) 4.436 4.598 ( -1.440 2.217 -1.081) 2.856 4.809 ( 1.242 0.265 -0.270) 1.299 4.891 ( -7.329 -2.699 -2.742) 8.278 5.093 ( -2.805 -0.997 1.711) 3.434 5.134 ( -0.120 3.790 -6.168) 7.241 5.278 ( -3.965 1.403 -0.605) 4.250 5.643 ( -2.761 2.547 1.155) 3.930 5.718 ( -0.715 1.696 1.102) 2.145 5.848 ( -1.820 -0.509 0.952) 2.116 5.982 ( -2.418 -2.510 -0.192) 3.491 6.293 ( 3.917 2.580 -1.813) 5.028 6.457 ( -1.139 0.665 -0.685) 1.487 6.916 ( 1.340 5.510 -0.101) 5.671 7.066 ( 1.527 1.399 3.988) 4.493 7.153 ( -2.136 1.940 3.861) 4.820 7.326 ( 4.280 0.543 -2.973) 5.240 7.445 ( 0.391 -0.771 -1.296) 1.558 7.885 ( 0.371 -7.055 1.840) 7.300 7.923 ( 0.872 -0.939 -1.588) 2.041 8.316 ( -0.794 -3.937 -0.849) 4.105 8.567 ( -1.331 6.253 -1.597) 6.590 8.698 ( 0.742 5.966 2.493) 6.508 8.949 ( 0.768 -1.523 -0.366) 1.745 9.086 ( -0.995 -1.991 0.668) 2.324 9.128 ( -1.255 -1.646 0.352) 2.099 9.338 ( -2.739 -0.896 -0.456) 2.917 10.229 ( 0.982 -0.617 -0.220) 1.180 10.306 ( -1.656 -0.366 0.085) 1.699 15.677 ( 0.193 1.438 0.926) 1.721 15.839 ( 4.820 -0.861 -3.036) 5.762 16.134 ( 6.957 1.749 -0.857) 7.224 16.322 ( -3.133 -0.288 4.590) 5.564 16.468 ( -3.362 -1.167 -1.289) 3.785 16.558 ( -0.476 0.839 -0.631) 1.153 16.790 ( -0.349 -4.018 -2.400) 4.693 16.853 ( -0.706 -1.647 -0.992) 2.048 17.120 ( -1.394 0.907 1.685) 2.367 17.335 ( -1.422 -2.933 0.026) 3.260 17.928 ( -0.352 1.813 1.649) 2.476 18.135 ( -6.489 -2.146 4.600) 8.239 18.249 ( 1.675 -0.232 -1.161) 2.051 18.359 ( 2.560 0.019 -2.254) 3.411 18.530 ( -3.502 -2.935 2.584) 5.249 19.016 ( 2.972 -6.920 -4.353) 8.699 ======================= Grid point 124 (56/130) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 3.212 4.037 1.424) 5.352 1.252 ( 3.711 -0.035 4.604) 5.913 1.334 ( -0.470 5.593 -5.439) 7.816 1.410 ( -3.332 5.391 -3.386) 7.186 1.524 ( -8.067 2.838 -1.981) 8.778 1.790 ( 2.752 3.135 5.203) 6.669 1.866 ( -0.837 -0.948 -4.871) 5.033 1.905 ( 0.526 0.745 1.193) 1.502 2.000 ( 2.936 3.069 8.401) 9.414 2.115 ( 0.690 2.818 1.017) 3.075 2.348 ( 2.346 -3.009 -7.642) 8.542 2.490 ( -3.355 -0.511 -0.241) 3.402 2.664 ( -4.205 1.465 -4.807) 6.553 2.818 ( -0.116 1.275 -5.609) 5.754 2.941 ( 11.395 0.768 7.733) 13.793 3.111 ( 3.205 1.300 6.178) 7.080 3.228 ( -2.113 0.159 5.540) 5.931 3.326 ( 1.612 -0.192 4.379) 4.671 3.438 ( -1.594 0.951 0.008) 1.856 3.568 ( -3.745 3.549 3.635) 6.311 3.965 ( -0.892 -4.545 -5.601) 7.268 4.068 ( -3.726 -3.494 -4.453) 6.777 4.616 ( 4.027 2.927 -0.694) 5.027 4.775 ( -0.474 -1.353 0.478) 1.511 4.842 ( -2.275 0.286 0.504) 2.348 5.026 ( -3.194 -1.283 -3.084) 4.621 5.118 ( 2.339 4.233 -5.234) 7.126 5.249 ( 1.377 1.017 -1.536) 2.301 5.631 ( 0.559 1.264 2.342) 2.720 5.723 ( 0.435 1.595 0.409) 1.703 5.820 ( -1.451 -0.725 1.388) 2.135 5.949 ( -1.023 -2.106 -0.370) 2.370 6.348 ( 2.611 2.092 -0.439) 3.374 6.431 ( -0.739 1.327 -1.912) 2.442 6.995 ( 5.000 5.560 5.506) 9.286 7.066 ( -3.414 1.766 1.538) 4.140 7.166 ( -0.140 1.482 6.444) 6.614 7.381 ( 3.090 0.104 -1.372) 3.382 7.443 ( 0.118 -0.966 -1.218) 1.559 7.761 ( -8.110 -7.570 -8.371) 13.898 7.972 ( 3.661 1.612 2.038) 4.490 8.379 ( -5.163 5.234 -8.419) 11.177 8.445 ( 4.226 -2.366 7.035) 8.542 8.820 ( 3.963 2.801 6.311) 7.961 8.946 ( -0.068 -0.907 -0.400) 0.993 9.088 ( 0.121 -2.285 0.479) 2.337 9.100 ( -1.081 -0.625 -0.381) 1.305 9.282 ( -1.778 -0.769 -3.170) 3.715 10.248 ( 0.715 -0.849 0.351) 1.164 10.281 ( -0.555 -0.847 -0.437) 1.103 15.702 ( 1.280 1.333 2.938) 3.471 15.907 ( 3.719 -1.718 -1.379) 4.322 16.119 ( -5.567 1.331 -6.159) 8.408 16.292 ( -6.269 1.041 -0.470) 6.373 16.330 ( -2.970 -1.035 -6.088) 6.853 16.540 ( 1.197 0.435 -2.209) 2.550 16.748 ( -4.323 -1.639 -3.952) 6.082 16.799 ( 1.190 -2.605 -2.018) 3.503 17.239 ( 7.874 1.489 12.730) 15.042 17.543 ( 13.125 -3.707 16.420) 21.345 17.909 ( -1.900 0.763 -2.503) 3.234 18.040 ( -5.593 -1.487 1.735) 6.041 18.257 ( 0.009 0.025 -1.369) 1.369 18.381 ( 2.125 -0.249 -3.732) 4.302 18.484 ( -3.628 -2.344 2.645) 5.064 18.992 ( -0.889 -6.739 -8.130) 10.597 ======================= Grid point 125 (57/130) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -12.554 6.583 -3.330) 14.561 1.212 ( -11.739 0.314 -4.885) 12.718 1.258 ( -3.288 6.483 -0.145) 7.270 1.410 ( 5.004 -1.290 0.369) 5.181 1.581 ( 7.184 3.313 8.433) 11.563 1.730 ( -5.404 2.348 -4.814) 7.608 1.881 ( -2.822 3.349 -0.536) 4.412 1.892 ( -0.593 2.090 6.129) 6.503 2.028 ( -1.117 3.225 -1.087) 3.582 2.172 ( 0.256 1.481 6.886) 7.048 2.312 ( -1.036 -1.504 -6.976) 7.212 2.422 ( -4.577 -2.520 1.917) 5.565 2.550 ( -3.426 3.990 -4.187) 6.722 2.771 ( -2.172 0.925 -4.601) 5.172 2.988 ( -10.939 -3.400 -2.620) 11.751 3.138 ( -5.905 -3.374 0.355) 6.810 3.218 ( -4.377 0.322 7.132) 8.374 3.282 ( 5.023 0.732 2.160) 5.517 3.557 ( 6.251 3.779 7.537) 10.496 3.714 ( 11.769 1.593 6.865) 13.718 3.834 ( -5.903 -1.646 -4.231) 7.447 3.991 ( -1.664 -2.644 -4.858) 5.776 4.698 ( 4.696 3.001 -3.650) 6.662 4.782 ( -2.828 0.555 0.772) 2.984 4.803 ( 2.262 0.874 0.102) 2.428 4.977 ( 0.821 -1.353 -4.357) 4.636 5.139 ( 3.688 1.671 -4.763) 6.251 5.284 ( 2.290 1.110 -0.095) 2.547 5.680 ( 1.399 2.592 2.202) 3.677 5.740 ( 1.953 -0.472 1.840) 2.724 5.829 ( 1.471 -0.483 0.526) 1.635 5.945 ( 1.407 -2.631 -1.067) 3.169 6.378 ( 0.615 2.254 0.932) 2.515 6.409 ( 0.234 1.867 -3.068) 3.599 6.987 ( -5.022 2.223 0.846) 5.557 7.137 ( 2.564 1.461 7.188) 7.770 7.204 ( 1.170 1.970 3.818) 4.453 7.413 ( -0.588 -0.214 -0.497) 0.800 7.438 ( 1.294 -1.001 1.764) 2.406 7.572 ( -5.289 -4.241 -7.662) 10.231 8.071 ( 3.707 3.091 4.998) 6.948 8.164 ( -7.170 7.349 -10.606) 14.761 8.642 ( 7.242 -4.215 9.735) 12.844 8.818 ( -3.480 -2.831 -5.586) 7.165 9.006 ( 3.563 1.779 5.890) 7.110 9.068 ( -1.322 -1.097 -1.197) 2.094 9.108 ( 0.918 -1.841 0.561) 2.132 9.252 ( 1.519 0.263 -3.509) 3.832 10.241 ( -1.029 -0.650 0.013) 1.217 10.299 ( 2.165 -0.353 -0.035) 2.194 15.752 ( 0.973 0.988 4.131) 4.357 15.908 ( -4.657 0.490 -5.970) 7.587 15.989 ( -2.051 -1.391 3.434) 4.234 16.085 ( -8.390 -1.583 -8.751) 12.226 16.331 ( 2.325 2.571 0.307) 3.479 16.560 ( 0.020 0.945 -0.197) 0.966 16.682 ( 0.091 -1.381 -2.682) 3.018 16.819 ( 1.990 -3.758 -1.102) 4.393 17.508 ( 10.439 2.103 14.132) 17.695 17.755 ( -3.992 -0.677 -5.780) 7.057 17.941 ( 8.586 -2.433 11.607) 14.641 17.974 ( -0.412 -1.624 -2.020) 2.624 18.237 ( -1.194 0.340 -0.414) 1.309 18.409 ( 4.620 -1.930 -3.529) 6.125 18.430 ( -4.512 -1.660 3.988) 6.246 18.891 ( -3.612 -7.611 -9.041) 12.358 ======================= Grid point 126 (58/130) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -10.021 8.265 -0.884) 13.019 0.950 ( -12.609 3.135 -3.864) 13.555 1.163 ( -6.923 5.949 -0.332) 9.134 1.367 ( -8.180 -0.958 -7.209) 10.945 1.698 ( 0.216 4.630 5.773) 7.403 1.738 ( -5.786 3.528 1.006) 6.851 1.780 ( 5.963 0.045 6.089) 8.523 1.935 ( -0.315 2.205 3.532) 4.175 1.977 ( -4.618 2.338 -2.944) 5.955 2.137 ( -6.194 -0.423 2.263) 6.607 2.229 ( -4.805 -0.564 -1.268) 5.001 2.346 ( -4.570 -2.486 -1.131) 5.324 2.489 ( -1.580 3.020 -4.797) 5.885 2.649 ( -7.486 1.477 -0.545) 7.650 2.790 ( -7.200 -1.844 -4.960) 8.936 2.950 ( -7.491 -4.188 -6.400) 10.706 3.153 ( -5.405 3.735 2.171) 6.920 3.439 ( 6.201 -0.366 6.497) 8.989 3.637 ( -2.390 -0.449 1.226) 2.723 3.845 ( -1.115 1.298 2.514) 3.041 3.870 ( 8.150 -1.713 6.189) 10.376 3.975 ( 2.269 -0.676 -3.007) 3.827 4.684 ( -2.021 0.309 -0.920) 2.242 4.796 ( 4.526 1.557 -4.618) 6.651 4.905 ( 7.694 2.058 5.007) 9.408 4.974 ( 1.260 -2.423 -4.511) 5.274 5.202 ( 6.672 1.574 -4.850) 8.397 5.312 ( 0.245 1.225 0.849) 1.511 5.666 ( -3.211 3.175 1.629) 4.801 5.848 ( 6.732 -0.371 -1.377) 6.882 5.851 ( 0.900 -0.948 3.047) 3.315 5.999 ( 5.423 -2.943 -2.096) 6.517 6.384 ( -1.838 2.583 3.461) 4.693 6.403 ( 2.128 2.410 -4.370) 5.425 6.903 ( -4.399 2.111 0.460) 4.901 7.133 ( -4.263 -0.967 1.386) 4.585 7.223 ( -1.764 1.568 0.269) 2.375 7.361 ( -1.915 -0.155 -3.626) 4.104 7.455 ( -2.744 -1.400 -1.635) 3.488 7.594 ( 7.524 -0.543 9.223) 11.915 7.952 ( -5.474 6.110 -8.614) 11.895 8.230 ( 6.022 4.225 8.562) 11.288 8.675 ( -5.877 -4.298 -9.212) 11.742 8.803 ( 4.198 -2.657 5.379) 7.322 9.011 ( -2.936 0.486 -3.613) 4.681 9.101 ( 3.114 -0.035 4.157) 5.194 9.151 ( 3.100 -1.685 1.048) 3.681 9.292 ( 3.475 -0.500 -0.264) 3.521 10.229 ( 0.017 0.363 -0.267) 0.451 10.348 ( 3.165 0.663 0.305) 3.248 15.734 ( -4.713 0.629 -2.067) 5.184 15.792 ( -4.806 1.639 2.500) 5.659 15.908 ( -2.905 -1.326 -8.095) 8.702 16.056 ( 1.631 -2.675 10.481) 10.939 16.403 ( 4.226 2.435 2.313) 5.398 16.523 ( -3.509 1.692 1.374) 4.130 16.708 ( 3.618 -1.817 -2.465) 4.740 16.856 ( 2.873 -5.105 -1.611) 6.075 17.565 ( -7.865 0.655 -11.002) 13.540 17.724 ( 2.833 -0.558 1.156) 3.110 17.914 ( 0.790 0.646 -3.399) 3.549 18.125 ( 1.251 -2.031 4.951) 5.496 18.233 ( 0.999 0.450 1.634) 1.967 18.357 ( -5.761 -1.865 3.602) 7.046 18.578 ( 13.130 -4.333 3.814) 14.343 18.765 ( -4.619 -8.974 -5.068) 11.294 ======================= Grid point 127 (59/130) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -6.577 9.499 2.014) 11.728 0.722 ( -9.886 7.027 -1.853) 12.269 1.009 ( -10.420 5.669 0.773) 11.888 1.164 ( -6.925 2.723 -5.627) 9.329 1.529 ( -10.539 3.860 2.875) 11.586 1.745 ( -10.459 -0.163 -3.468) 11.020 1.854 ( 2.554 1.471 4.049) 5.008 1.881 ( -4.064 0.211 -4.600) 6.142 1.953 ( 2.851 0.923 3.149) 4.347 2.041 ( -4.466 -0.905 2.297) 5.103 2.133 ( -7.278 -0.572 5.731) 9.282 2.227 ( -5.928 0.363 -4.574) 7.497 2.414 ( -2.673 1.636 -5.937) 6.714 2.587 ( -8.626 -1.101 -3.781) 9.482 2.617 ( 3.514 3.324 -1.433) 5.045 2.881 ( 0.863 -4.153 -0.036) 4.242 3.082 ( -2.984 5.125 1.851) 6.213 3.573 ( 2.035 -1.127 2.309) 3.278 3.605 ( 0.248 -1.935 3.650) 4.139 3.772 ( -4.059 2.660 -0.568) 4.886 3.911 ( -3.653 -2.214 -7.824) 8.914 4.086 ( 5.940 -1.383 6.228) 8.717 4.660 ( -1.018 -1.525 3.030) 3.542 4.867 ( 6.416 0.307 -3.898) 7.514 4.958 ( 0.390 -1.685 -3.731) 4.112 5.111 ( 7.809 2.332 7.288) 10.934 5.296 ( 4.263 1.456 -7.512) 8.760 5.312 ( 2.338 1.499 2.691) 3.867 5.609 ( -2.940 3.223 -0.508) 4.392 5.838 ( -1.858 -0.260 1.671) 2.512 6.003 ( 8.281 -2.038 0.296) 8.533 6.086 ( 5.472 -2.188 -3.486) 6.847 6.358 ( -3.182 2.691 3.249) 5.284 6.427 ( 2.566 3.157 -1.941) 4.507 6.840 ( -3.332 1.901 1.362) 4.071 7.050 ( -2.879 -0.184 -3.165) 4.283 7.182 ( -1.991 1.681 -1.135) 2.842 7.310 ( -2.656 1.925 0.519) 3.321 7.383 ( -3.339 -0.321 -2.451) 4.154 7.725 ( -0.453 2.075 1.016) 2.354 7.924 ( 5.843 -2.506 4.098) 7.564 8.412 ( 7.415 5.561 9.163) 13.033 8.502 ( -5.862 -4.583 -8.915) 11.612 8.842 ( -1.623 1.683 -3.629) 4.317 8.960 ( 0.624 -0.128 -1.183) 1.344 9.170 ( 2.480 -1.321 1.429) 3.153 9.221 ( 3.437 -1.931 1.106) 4.095 9.345 ( 0.979 -2.477 1.970) 3.313 10.242 ( 1.609 2.119 -0.201) 2.668 10.423 ( 5.169 1.898 -0.161) 5.509 15.642 ( -3.413 0.735 -1.205) 3.694 15.707 ( -5.327 0.160 1.344) 5.496 15.863 ( 0.858 0.998 -2.774) 3.070 16.153 ( -0.361 -5.105 11.538) 12.622 16.469 ( -2.408 1.734 1.424) 3.292 16.508 ( 3.773 2.419 4.809) 6.574 16.761 ( 3.373 -2.598 -1.174) 4.417 16.881 ( 0.798 -5.006 -4.063) 6.496 17.352 ( -7.152 0.419 -9.589) 11.970 17.602 ( -6.529 -3.063 -13.054) 14.914 17.960 ( 0.936 2.442 2.057) 3.327 18.137 ( -0.858 -1.479 1.629) 2.362 18.270 ( -5.282 -1.305 1.972) 5.787 18.286 ( 2.345 0.611 2.270) 3.320 18.667 ( -4.626 -9.287 2.212) 10.609 18.850 ( 11.884 -6.103 3.241) 13.748 ======================= Grid point 128 (60/130) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -8.378 9.047 2.938) 12.676 0.617 ( -4.591 9.586 6.463) 12.439 0.844 ( -6.649 9.632 5.615) 12.981 1.082 ( -1.135 5.007 1.638) 5.389 1.395 ( -5.959 0.247 -0.723) 6.008 1.540 ( -5.492 1.233 -7.557) 9.423 1.748 ( -5.125 0.773 -2.440) 5.728 1.875 ( -1.567 0.869 -0.806) 1.965 1.969 ( -1.193 -0.105 -1.278) 1.751 2.005 ( -4.800 -1.272 2.617) 5.613 2.068 ( -4.354 1.147 4.298) 6.225 2.115 ( -2.396 0.082 0.336) 2.421 2.278 ( -2.200 4.078 -9.348) 10.434 2.530 ( 0.331 -4.182 0.903) 4.291 2.714 ( 6.429 2.194 0.244) 6.797 2.887 ( -1.168 -4.636 -3.547) 5.953 3.117 ( 2.299 5.178 11.696) 12.996 3.553 ( -0.612 -1.348 0.044) 1.481 3.637 ( -2.322 3.227 -3.573) 5.345 3.696 ( -2.815 2.400 -1.203) 3.890 3.851 ( 1.668 -6.336 -0.920) 6.616 4.139 ( 0.529 -2.136 -3.472) 4.111 4.688 ( -0.663 -1.583 7.633) 7.824 4.950 ( 2.671 3.251 -0.435) 4.230 4.971 ( 3.667 -3.317 -0.604) 4.981 5.174 ( -3.825 3.552 4.549) 6.924 5.314 ( 3.637 -0.091 -5.210) 6.355 5.384 ( 2.384 1.591 -4.715) 5.518 5.594 ( 2.027 2.653 1.705) 3.749 5.823 ( -0.992 0.162 3.268) 3.419 6.117 ( 3.127 -2.868 -2.778) 5.072 6.149 ( 4.604 -0.915 -0.415) 4.712 6.318 ( -2.947 2.045 1.966) 4.090 6.469 ( 2.470 2.499 -0.457) 3.543 6.799 ( -2.515 2.092 2.967) 4.416 7.027 ( 2.731 0.733 -2.735) 3.934 7.140 ( -1.209 1.680 -2.571) 3.301 7.262 ( -3.231 1.583 0.753) 3.676 7.327 ( -1.780 0.537 1.082) 2.151 7.705 ( -0.242 2.699 0.491) 2.753 8.031 ( 0.821 -6.411 -0.781) 6.510 8.400 ( 0.056 -4.199 -0.483) 4.227 8.578 ( 2.581 4.949 3.232) 6.449 8.769 ( 1.216 4.717 -5.808) 7.581 8.988 ( 2.364 -0.605 -1.131) 2.690 9.203 ( 0.224 -2.398 -0.302) 2.427 9.272 ( 0.754 -2.348 0.918) 2.631 9.338 ( -2.028 -3.266 0.753) 3.918 10.277 ( 1.914 3.558 0.253) 4.048 10.524 ( 6.301 2.171 -3.934) 7.739 15.597 ( -1.482 0.249 0.428) 1.562 15.635 ( -3.215 0.065 0.828) 3.321 15.878 ( 1.863 1.649 -1.473) 2.891 16.142 ( -7.565 -6.803 5.596) 11.611 16.428 ( -3.348 1.612 1.052) 3.862 16.582 ( 0.646 1.915 0.095) 2.023 16.804 ( 1.537 -3.178 -1.266) 3.750 16.839 ( 0.112 -1.491 0.615) 1.617 17.238 ( -0.725 0.559 1.729) 1.956 17.485 ( 0.928 -1.877 -0.340) 2.121 17.960 ( -0.197 1.344 -1.863) 2.306 18.125 ( -1.949 -1.958 1.597) 3.192 18.197 ( -3.550 -0.568 2.149) 4.189 18.321 ( 0.077 -0.387 -0.076) 0.401 18.609 ( -5.061 -6.391 5.411) 9.784 19.019 ( 5.509 -7.297 -1.006) 9.198 ======================= Grid point 129 (61/130) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.497 6.724 7.905) 10.390 0.860 ( 1.188 8.487 4.463) 9.663 1.010 ( 5.125 0.791 5.286) 7.405 1.133 ( 0.574 1.640 4.276) 4.615 1.441 ( -0.412 7.302 -5.837) 9.357 1.489 ( 1.307 3.664 1.936) 4.345 1.748 ( 2.491 1.335 -0.334) 2.846 1.828 ( -2.587 -0.749 -2.247) 3.507 1.865 ( -3.444 -1.069 -7.201) 8.053 1.935 ( -2.228 -0.073 -4.573) 5.087 2.052 ( -2.878 3.522 3.808) 5.933 2.125 ( 2.617 0.449 0.259) 2.668 2.332 ( 4.681 -2.930 3.653) 6.621 2.464 ( 1.525 -4.577 2.874) 5.616 2.719 ( -2.482 -1.029 -5.890) 6.474 2.839 ( 0.805 1.493 -1.467) 2.243 3.256 ( -3.193 1.751 3.674) 5.173 3.471 ( -1.622 -4.357 -2.896) 5.477 3.612 ( -1.028 2.384 -1.411) 2.955 3.716 ( 0.716 3.792 -1.513) 4.145 3.879 ( 6.330 -1.772 7.144) 9.709 4.048 ( -1.298 -4.341 -2.570) 5.209 4.708 ( -1.732 1.318 6.130) 6.505 4.943 ( 0.675 -4.672 2.096) 5.165 5.085 ( 1.366 4.735 0.360) 4.941 5.186 ( -1.125 2.994 -0.682) 3.270 5.273 ( -4.966 -0.195 -3.507) 6.083 5.391 ( 4.658 -1.854 -6.040) 7.849 5.685 ( 0.094 2.655 1.761) 3.187 5.872 ( 1.746 -0.119 1.120) 2.077 6.096 ( 1.764 -0.424 2.397) 3.005 6.223 ( 3.313 -0.530 2.791) 4.364 6.311 ( -2.309 1.600 -0.249) 2.820 6.462 ( -3.557 -1.031 -2.362) 4.392 6.850 ( -0.337 3.053 4.005) 5.047 7.049 ( 0.974 -2.769 1.737) 3.411 7.151 ( 0.110 2.178 -3.236) 3.902 7.242 ( 0.206 0.401 -2.257) 2.301 7.352 ( -0.581 2.377 0.793) 2.572 7.666 ( -4.326 -5.355 -6.927) 9.766 7.996 ( 4.268 4.993 5.325) 8.456 8.400 ( 5.914 -5.139 7.923) 11.143 8.590 ( -6.404 5.023 -7.766) 11.250 8.829 ( -1.197 -1.270 -2.149) 2.768 9.018 ( 1.623 -0.168 -0.644) 1.755 9.109 ( -2.787 -1.299 0.118) 3.077 9.225 ( 0.013 -1.063 -1.427) 1.780 9.299 ( 1.657 -2.078 -1.148) 2.895 10.387 ( 0.083 4.245 0.958) 4.353 10.557 ( -0.571 -0.462 -4.218) 4.281 15.582 ( 0.002 0.117 0.114) 0.163 15.608 ( -0.353 -0.341 0.728) 0.878 15.922 ( 0.354 1.184 0.510) 1.337 15.995 ( -2.658 -1.187 2.114) 3.598 16.435 ( -0.968 2.853 -1.813) 3.516 16.553 ( -2.623 0.866 -5.782) 6.408 16.760 ( 0.396 -2.842 0.903) 3.009 16.835 ( 1.586 -4.102 1.358) 4.603 17.385 ( 6.893 2.811 10.921) 13.217 17.587 ( 9.397 -3.149 11.648) 15.294 17.957 ( -0.032 0.507 -2.793) 2.839 18.040 ( -2.998 -2.051 0.442) 3.659 18.171 ( -0.975 0.410 1.263) 1.647 18.274 ( -1.466 -1.986 2.543) 3.544 18.526 ( -2.840 1.492 -2.662) 4.169 18.859 ( -2.139 -8.517 -5.887) 10.572 ======================= Grid point 130 (62/130) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 12.226 5.315 8.395) 15.754 0.921 ( 3.403 7.430 3.791) 9.009 1.187 ( 6.498 3.995 9.150) 11.913 1.227 ( 6.335 1.908 4.561) 8.036 1.385 ( 4.052 3.681 -9.941) 11.349 1.588 ( 3.561 3.789 3.381) 6.202 1.713 ( -3.214 0.087 -11.128) 11.584 1.738 ( -3.749 0.581 -6.130) 7.209 1.836 ( 5.030 1.922 -2.281) 5.848 1.915 ( 3.439 1.267 -2.272) 4.312 2.090 ( 2.447 1.105 6.137) 6.698 2.241 ( 8.080 -1.320 4.096) 9.155 2.413 ( 1.583 -5.109 0.358) 5.361 2.538 ( 3.135 -7.107 -1.813) 7.976 2.674 ( 2.518 4.400 2.744) 5.765 2.829 ( -0.880 1.907 -2.188) 3.033 3.195 ( -3.576 -0.915 1.834) 4.122 3.417 ( -0.514 -6.070 -5.214) 8.018 3.566 ( -1.830 5.977 -1.177) 6.360 3.778 ( 3.439 1.599 0.359) 3.810 3.966 ( -2.318 -0.658 0.764) 2.528 4.046 ( 2.024 -2.384 3.488) 4.685 4.705 ( -2.014 1.477 4.632) 5.263 4.941 ( -1.552 -4.342 1.761) 4.936 5.061 ( -4.791 2.682 -1.624) 5.726 5.123 ( -3.677 2.718 -0.964) 4.673 5.239 ( 4.418 1.422 -2.023) 5.063 5.472 ( 4.558 -3.792 -1.403) 6.092 5.682 ( -0.066 3.386 0.093) 3.388 5.874 ( -2.337 -0.573 0.245) 2.418 6.093 ( -6.283 2.397 4.311) 7.988 6.232 ( 0.388 2.048 -0.757) 2.217 6.318 ( -5.501 -2.331 0.820) 6.031 6.387 ( 3.445 -0.717 -2.725) 4.450 6.888 ( 1.343 2.504 4.578) 5.388 7.061 ( -1.156 -3.005 2.188) 3.893 7.125 ( 0.313 2.222 -4.307) 4.857 7.265 ( 2.168 -1.634 -3.030) 4.068 7.378 ( 2.697 0.427 2.886) 3.973 7.538 ( -2.735 -4.265 -6.973) 8.619 8.161 ( 7.061 7.749 10.784) 15.039 8.355 ( -8.396 7.229 -10.629) 15.354 8.605 ( 6.048 -5.256 9.147) 12.161 8.730 ( -5.690 -4.352 -7.154) 10.124 9.019 ( -0.908 0.536 0.745) 1.291 9.083 ( -0.592 -0.125 -1.153) 1.302 9.202 ( -1.311 -0.492 -1.902) 2.362 9.324 ( 1.551 -2.724 -0.230) 3.143 10.369 ( -2.794 3.821 1.035) 4.846 10.483 ( -3.841 0.876 -3.118) 5.024 15.605 ( 2.326 0.411 -0.029) 2.362 15.637 ( 3.175 -0.459 0.463) 3.241 15.931 ( -0.621 0.605 0.913) 1.259 15.983 ( 0.423 -0.637 3.185) 3.275 16.408 ( -0.127 2.572 -2.961) 3.924 16.511 ( 1.113 1.185 -1.948) 2.538 16.765 ( -0.678 -3.302 1.309) 3.616 16.850 ( -0.783 -6.053 -0.188) 6.107 17.594 ( 6.759 3.126 10.529) 12.896 17.767 ( -0.572 -1.723 -0.732) 1.958 17.976 ( -0.034 -0.919 -1.563) 1.814 18.023 ( 5.547 -3.242 6.120) 8.873 18.166 ( -0.258 0.349 0.715) 0.837 18.279 ( 0.220 -2.163 2.121) 3.038 18.455 ( -1.528 0.107 -1.116) 1.895 18.732 ( -6.354 -8.114 -6.378) 12.120 ======================= Grid point 131 (63/130) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 5.296 7.248 5.147) 10.348 1.140 ( 12.703 4.921 5.172) 14.571 1.282 ( 1.634 6.903 3.298) 7.822 1.364 ( 4.181 2.746 -0.005) 5.002 1.515 ( 9.947 -0.433 -4.308) 10.848 1.552 ( 0.812 3.451 -8.001) 8.751 1.637 ( 0.813 0.597 -4.382) 4.496 1.735 ( 5.257 -3.434 0.136) 6.281 1.935 ( 7.044 3.751 -0.699) 8.011 1.986 ( 3.891 2.187 -1.188) 4.618 2.187 ( 4.163 0.332 3.654) 5.549 2.371 ( 0.077 -1.103 -0.189) 1.122 2.468 ( 7.775 -3.576 1.691) 8.723 2.571 ( 5.103 -4.901 -1.514) 7.235 2.749 ( -0.269 4.069 -3.268) 5.226 2.829 ( 5.067 1.038 -1.178) 5.304 3.193 ( -0.091 -1.581 7.492) 7.658 3.402 ( 1.451 -6.749 -2.380) 7.302 3.567 ( 2.262 5.760 1.470) 6.361 3.763 ( -4.814 -0.760 -1.498) 5.099 3.924 ( -1.894 1.430 0.913) 2.543 4.044 ( -3.124 0.484 -2.034) 3.759 4.699 ( -1.286 1.582 2.315) 3.085 4.894 ( -3.414 -0.161 -2.736) 4.378 4.975 ( -1.823 -0.878 1.178) 2.342 5.124 ( -0.425 -0.028 4.750) 4.769 5.279 ( 0.734 2.203 -1.844) 2.965 5.478 ( -3.822 -2.420 0.924) 4.617 5.716 ( 3.867 2.275 -1.908) 4.875 5.807 ( -3.644 0.332 -0.174) 3.663 5.973 ( -7.808 1.641 1.196) 8.068 6.131 ( -8.115 -1.706 -1.578) 8.441 6.289 ( 1.593 3.152 -0.872) 3.637 6.449 ( 2.336 -1.170 0.555) 2.671 6.952 ( 2.096 1.823 4.713) 5.471 7.033 ( -1.782 -1.110 -1.182) 2.409 7.126 ( 2.677 1.615 -3.530) 4.715 7.262 ( 1.397 -2.107 -3.526) 4.339 7.456 ( 1.461 -0.908 1.970) 2.615 7.525 ( 3.570 -2.545 2.861) 5.235 8.136 ( -7.033 6.699 -9.798) 13.797 8.373 ( 7.338 7.971 11.372) 15.707 8.547 ( -7.457 -5.624 -9.558) 13.364 8.762 ( 4.481 -3.865 6.568) 8.840 8.998 ( -1.424 1.899 -2.040) 3.129 9.062 ( -1.183 -1.300 0.982) 2.013 9.157 ( -2.190 0.008 -1.731) 2.791 9.344 ( 0.353 -3.479 0.341) 3.513 10.307 ( -3.885 3.205 0.132) 5.038 10.403 ( -3.548 0.595 -0.720) 3.669 15.656 ( 3.137 1.009 -0.497) 3.332 15.715 ( 4.876 -0.921 -1.185) 5.102 15.925 ( 0.405 2.031 2.375) 3.151 16.069 ( 4.821 -2.654 7.701) 9.466 16.408 ( 1.582 2.654 -1.196) 3.313 16.544 ( 2.456 1.368 0.445) 2.846 16.757 ( -0.900 -3.606 1.392) 3.969 16.809 ( -2.944 -5.180 -0.781) 6.009 17.593 ( -10.144 1.141 -11.309) 15.235 17.684 ( -2.584 -1.098 -5.254) 5.957 17.953 ( -0.221 2.610 2.130) 3.377 18.159 ( 1.678 -2.136 5.735) 6.346 18.173 ( 0.554 0.018 0.408) 0.688 18.285 ( -0.715 -1.993 1.416) 2.547 18.524 ( 3.751 -5.350 2.627) 7.043 18.619 ( 0.813 -6.570 0.420) 6.633 ======================= Grid point 132 (64/130) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 3.591 4.721 -1.464) 6.109 1.268 ( -0.157 2.612 -2.072) 3.337 1.348 ( 5.740 5.437 -5.141) 9.431 1.399 ( 6.173 6.408 0.098) 8.898 1.581 ( 5.835 4.268 6.515) 9.732 1.670 ( 6.628 -1.434 -2.786) 7.331 1.743 ( 7.054 -1.520 4.478) 8.492 1.841 ( 6.017 -1.973 -0.729) 6.374 1.987 ( -1.753 2.269 -3.388) 4.438 2.060 ( 5.029 2.167 -1.104) 5.586 2.264 ( 1.880 0.984 1.833) 2.804 2.378 ( 3.352 -0.276 -0.450) 3.393 2.614 ( 9.739 -1.641 -2.260) 10.132 2.710 ( 1.248 3.570 -3.625) 5.239 2.735 ( 9.331 -1.549 1.545) 9.584 2.893 ( 2.812 -0.834 -3.532) 4.591 3.247 ( 0.251 -0.290 5.309) 5.323 3.406 ( -2.234 -3.330 1.861) 4.421 3.626 ( -1.670 2.956 -2.275) 4.087 3.670 ( -0.247 1.076 3.809) 3.966 3.869 ( -3.834 0.481 -0.482) 3.894 3.990 ( -0.511 -1.432 1.506) 2.140 4.679 ( -1.858 1.706 -0.073) 2.524 4.835 ( -1.356 0.578 -2.447) 2.857 4.943 ( -3.408 -2.375 0.420) 4.175 5.116 ( -3.487 -1.545 2.503) 4.562 5.249 ( -1.479 3.637 -2.992) 4.936 5.385 ( -5.409 -0.450 -0.263) 5.434 5.728 ( -1.003 1.871 -0.303) 2.144 5.804 ( 0.098 2.284 1.242) 2.602 5.845 ( -4.413 -0.619 -1.238) 4.625 6.002 ( -5.318 -2.246 -0.268) 5.779 6.313 ( 1.885 3.559 -1.059) 4.165 6.471 ( -0.098 -0.873 0.449) 0.986 6.996 ( 0.841 2.786 -0.135) 2.914 7.036 ( 2.245 1.560 2.886) 3.976 7.166 ( 2.927 1.279 -1.476) 3.518 7.286 ( 2.648 -1.084 -1.299) 3.143 7.458 ( -0.869 0.756 -0.426) 1.228 7.643 ( 3.757 -5.860 7.937) 10.557 7.990 ( -2.634 4.372 -6.757) 8.468 8.347 ( -6.837 -5.638 -9.267) 12.822 8.570 ( 6.169 6.860 10.001) 13.607 8.839 ( 0.656 -0.884 0.740) 1.327 8.944 ( -1.732 2.901 -2.886) 4.444 9.059 ( -0.777 -2.318 2.075) 3.207 9.110 ( -1.596 -0.403 -0.674) 1.779 9.334 ( -1.702 -3.875 0.147) 4.235 10.249 ( -2.178 1.933 -0.257) 2.923 10.341 ( -3.096 -0.311 0.142) 3.115 15.697 ( 1.506 1.436 -0.555) 2.153 15.771 ( 3.306 -0.933 -3.046) 4.591 16.019 ( 7.028 2.739 4.412) 8.739 16.226 ( 4.878 -4.105 8.771) 10.844 16.441 ( 2.047 2.187 0.609) 3.057 16.588 ( 1.432 1.487 0.821) 2.222 16.739 ( -2.060 -4.769 -0.988) 5.288 16.778 ( 0.463 -2.200 2.938) 3.700 17.310 ( -10.961 1.709 -11.299) 15.835 17.474 ( -10.320 -3.467 -14.020) 17.751 17.974 ( -1.389 3.269 5.243) 6.333 18.152 ( -4.289 -2.658 4.961) 7.076 18.217 ( 2.676 0.729 -0.545) 2.826 18.306 ( 2.411 -1.267 -0.118) 2.726 18.515 ( -1.697 -2.126 2.088) 3.429 18.767 ( 7.821 -8.159 1.579) 11.412 ======================= Grid point 133 (65/130) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 2.787 2.008 -2.091) 4.022 1.241 ( 0.104 1.679 -1.252) 2.097 1.455 ( 6.795 5.656 -6.348) 10.885 1.515 ( 4.686 5.461 -0.577) 7.219 1.728 ( 2.529 2.973 8.176) 9.060 1.767 ( 6.880 0.307 -0.188) 6.889 1.782 ( -5.715 -0.151 -3.753) 6.839 1.926 ( 2.834 0.405 0.979) 3.025 1.962 ( 2.746 2.181 2.310) 4.199 2.107 ( 2.118 0.218 -0.305) 2.151 2.291 ( 1.557 -0.164 -1.972) 2.518 2.469 ( 3.560 -2.186 2.883) 5.076 2.671 ( 2.338 2.134 -4.379) 5.403 2.850 ( 7.699 4.314 -0.239) 8.829 2.888 ( 0.568 -1.688 -3.403) 3.841 2.927 ( 13.294 0.969 1.528) 13.416 3.245 ( -3.136 0.543 1.719) 3.618 3.341 ( -5.150 -0.437 3.325) 6.145 3.534 ( -4.708 2.792 0.379) 5.487 3.719 ( -2.802 4.367 5.518) 7.574 3.829 ( 1.934 -6.168 -2.672) 6.994 4.023 ( 0.410 -4.018 2.428) 4.713 4.645 ( -0.756 2.320 -0.396) 2.472 4.779 ( -3.459 -2.684 -1.184) 4.535 4.882 ( -1.925 1.547 -0.482) 2.516 5.054 ( -3.800 -2.577 0.317) 4.602 5.218 ( 1.408 3.893 -5.550) 6.924 5.297 ( -3.729 0.592 -1.157) 3.949 5.697 ( -2.645 2.500 -0.818) 3.730 5.746 ( -1.638 1.219 -0.005) 2.042 5.842 ( -0.588 -0.042 0.680) 0.900 5.931 ( -2.368 -2.529 -0.007) 3.465 6.349 ( 2.630 2.943 -0.495) 3.978 6.464 ( -0.712 -0.111 0.365) 0.807 7.030 ( 2.625 5.233 1.171) 5.971 7.102 ( 2.107 2.175 4.215) 5.190 7.188 ( -1.098 1.710 1.925) 2.800 7.334 ( 3.756 -0.045 -2.319) 4.414 7.435 ( -0.762 0.060 -0.961) 1.228 7.710 ( -1.939 -8.689 2.725) 9.310 7.958 ( 1.906 2.933 -1.689) 3.885 8.229 ( -0.445 -4.661 -0.937) 4.775 8.682 ( -0.684 5.100 -1.410) 5.335 8.810 ( 0.019 4.198 0.972) 4.309 8.929 ( 0.292 0.380 0.246) 0.539 9.050 ( -0.856 -1.510 0.882) 1.948 9.097 ( -0.373 -1.253 0.331) 1.349 9.289 ( -2.563 -3.942 -1.138) 4.838 10.228 ( -0.127 0.542 -0.149) 0.576 10.293 ( -2.278 -0.875 0.119) 2.443 15.711 ( 0.476 1.843 0.613) 2.000 15.818 ( 3.657 -1.315 -2.128) 4.430 16.172 ( 5.825 2.085 0.236) 6.192 16.305 ( 0.157 -1.556 3.401) 3.743 16.452 ( -3.032 0.217 -1.824) 3.545 16.578 ( -1.645 0.194 -3.553) 3.920 16.717 ( 0.408 -2.437 -0.152) 2.476 16.814 ( -0.380 -2.264 -0.498) 2.349 17.143 ( -1.353 1.418 1.426) 2.424 17.275 ( -1.394 -2.892 0.190) 3.216 17.965 ( -2.204 1.814 2.431) 3.749 18.089 ( -5.675 -2.373 3.949) 7.310 18.250 ( 1.514 0.314 -0.897) 1.787 18.345 ( 1.931 -1.754 -1.239) 2.888 18.504 ( -0.967 1.078 0.553) 1.550 18.863 ( 3.141 -8.072 -3.258) 9.254 ======================= Grid point 134 (66/130) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.381 -0.143 3.551) 5.641 1.262 ( 1.402 0.266 1.593) 2.139 1.430 ( -3.896 4.177 -9.082) 10.729 1.515 ( -4.740 3.641 -7.793) 9.821 1.614 ( -2.774 5.542 -0.248) 6.202 1.816 ( 0.134 -1.281 -0.229) 1.308 1.886 ( 5.117 3.907 3.286) 7.228 1.944 ( 0.287 3.082 0.756) 3.187 2.052 ( 2.681 1.368 6.159) 6.855 2.155 ( 1.479 0.956 3.918) 4.295 2.298 ( 1.488 -1.350 -4.774) 5.180 2.464 ( -5.050 -2.138 1.753) 5.757 2.703 ( 0.402 2.527 -3.960) 4.715 2.831 ( 0.234 0.098 -4.652) 4.659 2.988 ( 6.677 3.469 1.978) 7.780 3.134 ( -3.206 1.037 4.492) 5.615 3.202 ( 0.944 -2.534 2.271) 3.532 3.296 ( -1.744 -2.606 2.462) 3.987 3.495 ( 1.971 4.577 2.973) 5.803 3.653 ( -3.306 4.523 2.493) 6.132 3.870 ( 0.844 -4.876 -0.864) 5.023 3.983 ( -3.693 -4.801 -2.821) 6.681 4.672 ( 3.464 2.588 0.985) 4.435 4.753 ( 0.678 -0.829 1.787) 2.084 4.857 ( -1.298 1.239 -0.122) 1.799 4.989 ( -2.343 -2.224 -2.285) 3.957 5.199 ( -0.132 3.381 -5.938) 6.834 5.264 ( 2.223 0.609 -2.851) 3.666 5.661 ( 0.119 1.631 -0.370) 1.677 5.743 ( 1.326 0.199 -1.625) 2.106 5.818 ( -2.400 0.544 2.020) 3.184 5.906 ( -0.664 -2.074 -0.535) 2.243 6.393 ( 1.902 2.259 0.560) 3.006 6.453 ( -0.497 0.732 -0.304) 0.935 7.093 ( 0.785 2.727 4.120) 5.003 7.133 ( -1.305 5.960 1.472) 6.276 7.187 ( 0.512 0.671 5.439) 5.504 7.384 ( 2.958 0.133 -1.569) 3.351 7.424 ( 0.068 -0.840 -1.102) 1.388 7.607 ( -6.706 -7.695 -4.824) 11.289 8.023 ( 4.314 3.472 3.612) 6.612 8.329 ( 6.817 -5.161 8.390) 11.979 8.544 ( -6.982 7.043 -9.904) 14.016 8.833 ( -0.909 -1.590 -1.966) 2.687 8.963 ( 2.263 2.514 4.162) 5.363 9.048 ( -0.103 -1.599 1.070) 1.927 9.085 ( -0.758 -0.617 -0.558) 1.126 9.244 ( -0.644 -3.003 -2.550) 3.992 10.237 ( 0.605 -0.251 0.335) 0.736 10.264 ( -0.484 -0.823 -0.314) 1.005 15.735 ( 1.191 1.861 2.402) 3.263 15.868 ( 2.711 -2.124 -0.590) 3.494 16.147 ( -6.235 1.541 -4.759) 7.994 16.276 ( -8.606 -2.164 -7.454) 11.589 16.353 ( 1.357 2.738 -1.096) 3.246 16.537 ( 1.476 -1.127 -4.461) 4.832 16.710 ( -2.389 -1.489 -0.865) 2.945 16.759 ( -0.809 -1.544 -2.380) 2.950 17.276 ( 8.777 2.213 13.383) 16.156 17.465 ( 12.194 -3.854 15.634) 20.198 17.925 ( -2.802 0.838 -1.432) 3.256 18.007 ( -4.738 -1.737 0.813) 5.111 18.259 ( 0.108 0.262 -0.897) 0.941 18.357 ( 0.550 -2.346 -1.671) 2.932 18.475 ( -2.074 2.046 -0.956) 3.066 18.842 ( -1.417 -7.908 -7.164) 10.764 ======================= Grid point 135 (67/130) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -9.608 4.507 -3.198) 11.084 1.235 ( -7.468 2.330 -4.903) 9.232 1.352 ( -4.623 2.527 -2.819) 5.975 1.368 ( 2.806 -2.549 -2.145) 4.356 1.668 ( 4.324 4.505 6.121) 8.744 1.771 ( -1.993 1.391 -1.865) 3.064 1.929 ( -4.251 3.437 2.743) 6.116 1.979 ( 1.952 4.864 2.877) 5.979 2.081 ( -0.705 1.609 -1.176) 2.114 2.201 ( -2.413 1.456 6.084) 6.705 2.281 ( 0.786 -2.019 -6.130) 6.502 2.358 ( -7.362 -3.521 3.017) 8.700 2.640 ( -2.528 4.886 -3.568) 6.557 2.788 ( -3.032 0.598 -4.375) 5.357 2.934 ( -11.172 -1.756 -1.721) 11.439 3.056 ( -8.606 -4.343 1.256) 9.721 3.240 ( -3.226 1.597 5.149) 6.283 3.299 ( 8.896 0.662 0.874) 8.964 3.625 ( 5.843 2.788 5.682) 8.614 3.723 ( 0.790 -0.748 3.678) 3.836 3.814 ( 1.234 -0.061 0.313) 1.275 3.933 ( -0.469 -3.005 -3.178) 4.399 4.743 ( 1.418 1.513 0.288) 2.094 4.786 ( 1.208 -0.054 -0.101) 1.214 4.838 ( 1.411 2.307 0.017) 2.705 4.955 ( 0.712 -0.985 -3.626) 3.825 5.179 ( 2.984 2.495 -5.763) 6.953 5.303 ( 2.811 0.432 -1.193) 3.084 5.706 ( 4.692 -0.038 0.096) 4.693 5.758 ( -0.472 2.168 0.509) 2.277 5.811 ( 2.226 -1.426 -0.175) 2.650 5.893 ( -0.211 -2.127 -0.690) 2.246 6.422 ( 0.553 1.997 1.798) 2.744 6.444 ( 0.202 1.453 -1.404) 2.031 7.041 ( -5.178 3.035 1.045) 6.092 7.153 ( -2.200 0.134 5.684) 6.096 7.253 ( 2.449 2.732 2.756) 4.589 7.401 ( -1.974 -0.775 -2.020) 2.929 7.418 ( 0.477 -1.198 2.213) 2.561 7.491 ( -0.477 -3.663 -3.784) 5.288 8.154 ( 5.618 5.170 7.578) 10.757 8.321 ( -7.323 7.936 -11.683) 15.909 8.545 ( 7.292 -5.334 10.070) 13.529 8.745 ( -4.629 -4.501 -7.786) 10.114 9.023 ( 0.967 -0.260 2.099) 2.326 9.056 ( -0.241 -1.012 2.779) 2.968 9.087 ( 1.835 1.015 -0.195) 2.106 9.238 ( 1.879 -1.680 -3.076) 3.977 10.238 ( 0.019 0.349 0.041) 0.352 10.288 ( 2.660 -0.733 0.026) 2.759 15.778 ( 0.828 1.535 3.357) 3.783 15.901 ( 0.754 -1.447 -1.479) 2.202 15.975 ( -7.826 0.346 -1.349) 7.949 16.054 ( -8.642 -1.508 -6.745) 11.066 16.387 ( 3.192 3.017 -0.934) 4.491 16.569 ( 3.071 -0.666 -2.413) 3.962 16.654 ( -1.949 -0.771 -0.821) 2.251 16.751 ( 0.019 -2.903 -0.309) 2.919 17.558 ( 10.325 2.804 13.811) 17.471 17.731 ( 1.232 -1.770 0.779) 2.293 17.899 ( 5.289 -1.429 7.278) 9.109 17.939 ( -1.411 -1.761 -3.228) 3.938 18.245 ( -0.867 0.546 -0.421) 1.108 18.352 ( 0.115 -3.079 -0.995) 3.238 18.427 ( -1.839 1.251 -0.337) 2.249 18.733 ( -4.622 -7.827 -7.936) 12.066 ======================= Grid point 136 (68/130) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -8.007 6.314 -3.085) 10.654 1.032 ( -9.333 4.985 -4.344) 11.438 1.249 ( -6.235 2.216 -2.084) 6.938 1.331 ( -4.737 -2.688 -5.078) 7.446 1.782 ( -2.800 1.389 4.329) 5.339 1.784 ( 2.338 2.976 3.812) 5.371 1.829 ( -3.237 4.737 4.265) 7.149 1.989 ( -1.967 3.149 1.519) 4.012 2.024 ( -4.076 2.064 -5.547) 7.186 2.118 ( -6.638 -1.065 -0.351) 6.732 2.213 ( -6.831 -1.243 3.376) 7.720 2.289 ( -1.559 -3.125 -1.871) 3.962 2.544 ( -7.400 2.649 -1.522) 8.006 2.684 ( -4.477 1.491 1.082) 4.841 2.774 ( -5.194 0.111 -4.798) 7.072 2.862 ( -6.979 -4.026 -5.547) 9.782 3.224 ( -3.550 3.569 6.924) 8.561 3.456 ( 5.654 0.876 2.693) 6.324 3.618 ( -4.775 -0.660 -1.036) 4.931 3.828 ( 7.984 -2.038 8.680) 11.969 3.869 ( -1.389 0.616 -0.051) 1.520 3.939 ( 2.892 -2.614 -3.569) 5.285 4.701 ( -3.314 1.441 -0.934) 3.733 4.808 ( 2.329 -0.615 -3.507) 4.254 4.936 ( 5.278 0.757 3.322) 6.282 4.964 ( 4.136 1.250 -1.904) 4.721 5.236 ( 6.805 2.159 -5.281) 8.880 5.337 ( 0.825 0.926 0.730) 1.439 5.727 ( -2.505 2.685 0.386) 3.693 5.822 ( 6.909 -0.601 0.890) 6.992 5.851 ( 0.122 -0.500 -0.184) 0.547 5.925 ( 6.019 -4.071 -2.639) 7.731 6.431 ( -1.207 2.074 2.357) 3.364 6.450 ( 1.623 1.962 -1.274) 2.848 6.954 ( -4.837 2.865 0.950) 5.701 7.107 ( -4.943 -1.673 1.862) 5.540 7.258 ( -1.983 1.968 0.666) 2.872 7.376 ( 0.090 1.519 -1.400) 2.067 7.414 ( -1.902 -2.449 0.371) 3.123 7.559 ( 5.654 -2.786 6.045) 8.733 8.098 ( -6.725 8.081 -11.133) 15.312 8.340 ( 7.015 6.414 9.195) 13.225 8.573 ( -6.220 -5.866 -9.979) 13.141 8.731 ( 5.306 -4.458 7.123) 9.938 9.017 ( -1.480 0.223 -0.791) 1.693 9.091 ( 1.700 -1.640 3.328) 4.081 9.133 ( 2.938 0.716 -0.591) 3.081 9.264 ( 2.432 -2.118 -1.892) 3.739 10.253 ( 1.812 1.844 -0.181) 2.592 10.350 ( 4.054 -0.457 0.311) 4.092 15.751 ( -4.596 1.152 -2.173) 5.212 15.822 ( -6.913 0.999 0.940) 7.048 15.883 ( -0.334 -0.701 -4.344) 4.413 15.999 ( 0.438 -2.837 8.438) 8.913 16.458 ( 4.382 3.025 0.930) 5.405 16.563 ( -2.647 2.129 0.951) 3.527 16.664 ( 3.422 -2.535 -2.679) 5.031 16.757 ( 0.958 -4.503 0.390) 4.620 17.587 ( -7.306 1.493 -11.260) 13.505 17.701 ( -1.594 -1.637 -5.763) 6.200 17.940 ( 3.856 1.869 4.180) 5.986 18.085 ( 2.455 -2.078 7.168) 7.856 18.244 ( 1.248 0.666 0.950) 1.704 18.320 ( -4.304 -1.734 1.931) 5.026 18.493 ( 9.102 -3.732 2.761) 10.217 18.602 ( -4.538 -7.046 -3.744) 9.179 ======================= Grid point 137 (69/130) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -5.077 6.973 -2.407) 8.955 0.873 ( -7.217 6.926 1.659) 10.139 1.095 ( -8.482 2.668 -2.657) 9.280 1.203 ( -4.405 0.447 -3.409) 5.588 1.607 ( -11.286 3.769 1.055) 11.945 1.737 ( -9.572 -0.564 -2.244) 9.847 1.893 ( 1.334 2.390 3.442) 4.398 1.902 ( -5.540 1.638 -4.160) 7.119 1.979 ( 1.815 1.719 0.601) 2.571 2.015 ( -4.897 -1.620 1.351) 5.332 2.114 ( -6.536 -0.813 5.197) 8.389 2.241 ( -2.827 0.478 -1.638) 3.303 2.413 ( -4.903 -0.863 -2.799) 5.711 2.564 ( -9.289 -2.337 -2.906) 10.010 2.687 ( 1.940 3.674 -1.932) 4.581 2.825 ( 1.582 -1.079 0.419) 1.961 3.197 ( -2.388 6.142 3.704) 7.559 3.531 ( -1.167 -3.436 2.331) 4.313 3.583 ( 3.005 0.407 1.719) 3.486 3.815 ( -2.874 -0.629 -1.520) 3.311 3.860 ( -3.857 -0.730 -7.207) 8.207 4.039 ( 4.626 -3.038 6.656) 8.656 4.653 ( -1.409 0.993 1.270) 2.141 4.836 ( 3.206 -3.014 -2.575) 5.098 4.981 ( 3.051 3.086 -1.783) 4.692 5.136 ( 8.019 0.039 5.343) 9.636 5.324 ( 3.224 1.377 -5.210) 6.280 5.345 ( 1.863 1.545 2.094) 3.201 5.678 ( -1.932 3.655 -2.072) 4.625 5.830 ( -1.721 -0.470 1.365) 2.246 5.962 ( 7.193 -1.935 0.399) 7.460 6.025 ( 6.393 -3.554 -3.931) 8.304 6.414 ( -2.476 2.758 2.513) 4.478 6.477 ( 1.573 1.567 -0.154) 2.226 6.886 ( -3.587 2.612 1.663) 4.738 7.034 ( -2.886 -1.440 -0.080) 3.227 7.222 ( -1.890 2.287 -1.081) 3.158 7.361 ( -2.762 -0.926 -2.375) 3.759 7.371 ( -0.989 3.277 2.174) 4.055 7.702 ( 3.625 -4.515 6.252) 8.522 7.949 ( -2.064 5.164 -6.144) 8.287 8.388 ( -5.280 -6.442 -9.936) 12.965 8.537 ( 6.809 6.395 9.110) 13.048 8.834 ( 2.116 -2.166 2.394) 3.861 8.978 ( -1.143 1.806 -2.038) 2.953 9.143 ( 1.647 -1.965 1.955) 3.224 9.183 ( 3.057 -1.065 -0.548) 3.283 9.285 ( 0.643 -3.154 -1.054) 3.387 10.300 ( 3.264 3.344 -0.051) 4.673 10.439 ( 5.564 -0.220 -0.021) 5.569 15.658 ( -3.753 0.862 -1.248) 4.047 15.707 ( -5.314 -0.260 0.007) 5.320 15.888 ( 0.990 1.565 0.402) 1.895 16.058 ( -1.233 -4.235 8.136) 9.255 16.510 ( -1.451 2.331 -0.272) 2.760 16.563 ( 3.163 2.909 4.499) 6.221 16.703 ( 2.443 -3.010 -1.597) 4.193 16.789 ( 1.718 -4.122 0.220) 4.471 17.376 ( -6.852 1.841 -10.422) 12.608 17.540 ( -5.898 -3.122 -12.509) 14.178 18.005 ( -0.693 2.092 3.292) 3.961 18.110 ( -1.537 -1.295 2.785) 3.435 18.246 ( -4.724 -0.786 2.100) 5.229 18.293 ( 1.933 -0.165 0.621) 2.037 18.535 ( -0.987 -3.728 2.335) 4.508 18.718 ( 10.339 -6.701 2.797) 12.634 ======================= Grid point 138 (70/130) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -10.928 6.651 4.738) 13.642 0.814 ( -0.149 9.517 2.755) 9.909 0.973 ( -2.692 2.262 0.281) 3.527 1.140 ( -2.748 0.779 2.167) 3.585 1.453 ( -5.090 4.957 1.393) 7.240 1.571 ( -4.148 1.746 -7.405) 8.666 1.767 ( -4.460 1.305 -1.780) 4.976 1.895 ( -3.553 0.803 0.121) 3.645 1.940 ( -3.203 -2.057 0.495) 3.839 1.996 ( -1.873 0.036 -1.047) 2.146 2.080 ( -0.305 0.512 4.404) 4.445 2.153 ( -5.411 3.183 -0.855) 6.336 2.310 ( -2.569 -1.439 -5.800) 6.504 2.451 ( -2.407 -3.488 2.617) 4.981 2.741 ( 3.232 0.850 -1.595) 3.703 2.843 ( 0.943 0.108 -3.971) 4.083 3.224 ( 0.610 5.378 8.955) 10.464 3.501 ( -1.330 -3.421 -0.778) 3.752 3.663 ( -0.495 -0.297 -1.655) 1.752 3.725 ( 0.867 -4.256 -1.732) 4.676 3.785 ( -2.411 4.348 0.751) 5.028 4.084 ( -0.510 -3.538 -1.651) 3.938 4.675 ( 0.537 0.664 5.939) 6.000 4.890 ( 3.366 -4.416 0.317) 5.562 5.038 ( 3.896 4.943 -1.169) 6.401 5.222 ( -1.573 0.955 1.605) 2.442 5.317 ( 0.419 0.556 -1.216) 1.401 5.398 ( 1.447 -0.289 -3.092) 3.426 5.656 ( 1.303 3.555 -0.799) 3.870 5.829 ( 0.995 0.121 1.509) 1.812 6.054 ( 3.010 -2.707 -1.392) 4.281 6.118 ( 6.034 -2.120 -0.126) 6.397 6.372 ( -3.703 3.203 1.852) 5.234 6.496 ( 0.188 0.251 0.003) 0.314 6.849 ( -2.041 2.843 2.947) 4.575 7.018 ( 0.982 -1.586 0.145) 1.871 7.178 ( -1.341 2.122 -2.482) 3.530 7.289 ( -2.631 -0.168 -3.269) 4.200 7.367 ( -1.560 4.527 2.349) 5.333 7.732 ( -0.965 -1.751 -0.238) 2.013 7.947 ( 1.471 -0.235 -0.596) 1.605 8.294 ( 0.598 -6.221 -0.258) 6.255 8.675 ( 1.785 4.630 2.207) 5.431 8.834 ( -0.350 1.589 -2.062) 2.626 8.981 ( 2.232 0.239 -0.916) 2.425 9.158 ( -1.457 -2.617 0.741) 3.086 9.222 ( 1.080 -1.873 -0.352) 2.191 9.282 ( 0.842 -2.377 -1.731) 3.059 10.357 ( 2.547 4.179 0.385) 4.909 10.535 ( 4.906 -0.761 -2.020) 5.360 15.602 ( -2.093 0.334 0.047) 2.120 15.634 ( -2.975 -0.252 0.590) 3.044 15.910 ( 0.912 1.608 0.309) 1.874 16.043 ( -4.353 -3.511 4.362) 7.092 16.472 ( -2.122 2.715 -0.538) 3.488 16.619 ( -0.114 1.354 -1.262) 1.854 16.738 ( 1.900 -2.920 -0.243) 3.492 16.805 ( 0.368 -1.890 0.739) 2.062 17.268 ( 0.101 2.158 0.647) 2.256 17.439 ( 1.487 -2.695 -0.661) 3.148 17.986 ( -1.695 1.292 -0.296) 2.152 18.085 ( -2.722 -1.924 1.870) 3.822 18.191 ( -2.535 0.126 1.606) 3.003 18.294 ( -1.792 -2.134 1.466) 3.149 18.556 ( 0.353 0.393 0.874) 1.022 18.863 ( 4.654 -7.941 -1.663) 9.353 ======================= Grid point 139 (71/130) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.931 6.474 4.079) 7.709 0.899 ( 0.934 -4.501 0.818) 4.669 1.056 ( 4.468 5.403 6.116) 9.304 1.139 ( 2.634 -2.121 5.017) 6.051 1.551 ( -1.958 3.969 -3.042) 5.371 1.575 ( 1.090 2.448 4.016) 4.828 1.773 ( 2.394 1.053 -0.298) 2.632 1.796 ( -1.105 -1.656 -1.706) 2.622 1.866 ( -3.126 1.268 -5.622) 6.556 1.909 ( -2.838 -2.308 -4.242) 5.601 2.134 ( -0.226 3.510 1.918) 4.006 2.157 ( 1.592 2.199 -1.612) 3.158 2.268 ( 1.608 -1.419 2.140) 3.030 2.344 ( 0.095 -6.674 1.506) 6.842 2.760 ( -0.366 3.852 -3.439) 5.177 2.830 ( 0.378 -2.428 -2.240) 3.325 3.303 ( -3.855 3.220 -0.995) 5.120 3.382 ( -2.922 -4.385 -2.592) 5.873 3.678 ( 2.728 3.884 2.569) 5.397 3.745 ( 3.172 -1.819 1.342) 3.895 3.876 ( 1.851 2.620 4.446) 5.482 3.957 ( -1.728 -4.597 -0.663) 4.955 4.758 ( -0.571 3.581 4.304) 5.628 4.844 ( 0.249 -4.831 2.848) 5.614 5.176 ( -0.117 3.716 -1.619) 4.055 5.221 ( 1.111 -0.420 -2.600) 2.859 5.281 ( -3.677 1.980 -0.676) 4.230 5.340 ( 0.972 -3.140 -2.683) 4.243 5.753 ( 1.201 3.928 -0.796) 4.184 5.832 ( 1.695 -3.538 -1.522) 4.208 6.122 ( 3.481 2.659 5.033) 6.672 6.182 ( 4.518 -2.904 4.403) 6.945 6.367 ( -4.352 3.256 -1.624) 5.673 6.426 ( -4.072 -2.474 -2.249) 5.269 6.916 ( -0.334 3.456 3.654) 5.041 6.986 ( -0.047 -3.416 2.995) 4.543 7.195 ( 0.247 2.123 -3.008) 3.691 7.231 ( 0.294 -1.366 -2.975) 3.287 7.429 ( -2.482 5.093 -3.472) 6.645 7.545 ( -4.149 -6.222 -6.695) 10.037 8.125 ( 6.313 7.260 8.201) 12.642 8.272 ( 6.784 -7.150 8.841) 13.240 8.693 ( -5.740 4.922 -6.598) 10.036 8.780 ( -4.071 -3.559 -4.602) 7.101 9.031 ( 0.645 1.522 1.027) 1.946 9.072 ( -0.820 -2.261 1.210) 2.692 9.226 ( 0.978 1.044 -2.352) 2.753 9.258 ( 1.472 -1.935 -1.983) 3.137 10.467 ( -0.092 3.597 0.119) 3.600 10.527 ( -0.298 -2.352 -1.553) 2.834 15.588 ( -0.003 0.421 0.067) 0.426 15.598 ( -0.174 -0.561 0.274) 0.648 15.947 ( -0.583 1.292 1.525) 2.082 15.972 ( -1.517 -1.164 2.145) 2.873 16.495 ( -0.873 3.016 -3.789) 4.920 16.546 ( -1.570 -1.678 -5.732) 6.176 16.734 ( -0.410 0.407 0.777) 0.969 16.768 ( -0.208 -2.658 0.301) 2.683 17.448 ( 7.771 3.431 10.702) 13.664 17.519 ( 8.534 -3.543 10.813) 14.223 17.974 ( -1.398 1.138 -1.420) 2.295 18.002 ( -2.315 -1.669 -0.364) 2.877 18.191 ( -0.998 1.584 1.749) 2.562 18.231 ( -1.155 -2.212 2.360) 3.434 18.587 ( -2.164 4.427 -5.166) 7.139 18.702 ( -2.130 -6.957 -5.987) 9.422 ======================= Grid point 140 (72/130) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 11.547 4.597 5.030) 13.408 1.002 ( 7.799 -0.113 2.324) 8.139 1.210 ( 8.100 2.229 5.278) 9.921 1.259 ( 6.456 -1.379 6.312) 9.134 1.491 ( -0.963 6.301 -3.478) 7.261 1.597 ( -0.382 -3.438 3.101) 4.646 1.728 ( -3.483 2.040 -8.846) 9.723 1.754 ( -3.590 -0.097 -9.142) 9.822 1.873 ( 6.296 1.917 0.849) 6.636 1.912 ( 4.720 -1.570 0.293) 4.983 2.153 ( 2.068 4.923 2.086) 5.732 2.228 ( 4.868 -1.088 1.575) 5.231 2.335 ( 4.882 -1.737 -0.378) 5.196 2.390 ( 4.977 -6.399 -2.931) 8.620 2.769 ( 1.728 4.607 3.754) 6.189 2.838 ( 0.363 -1.664 1.808) 2.483 3.209 ( -3.615 2.746 -3.085) 5.489 3.297 ( -2.453 -5.571 -5.444) 8.166 3.690 ( -0.896 5.850 -1.355) 6.071 3.777 ( 0.296 -2.294 -2.042) 3.086 3.957 ( 0.309 0.574 4.272) 4.321 3.993 ( 3.566 -2.647 6.270) 7.683 4.755 ( -1.844 3.576 2.993) 5.015 4.842 ( -1.786 -4.928 1.992) 5.608 5.114 ( -4.334 2.317 -1.073) 5.031 5.144 ( -4.472 -0.512 -1.532) 4.755 5.305 ( 4.061 4.268 -1.108) 5.995 5.391 ( 3.935 -4.223 -0.997) 5.858 5.756 ( 0.104 3.916 -0.939) 4.028 5.831 ( -0.800 -3.281 -1.258) 3.604 6.157 ( -6.632 3.677 5.724) 9.500 6.228 ( -5.848 -2.979 4.020) 7.697 6.311 ( 1.768 2.185 -2.609) 3.835 6.359 ( 2.724 -2.063 -3.514) 4.902 6.942 ( 0.453 2.839 3.974) 4.905 7.000 ( -0.552 -2.985 3.112) 4.347 7.174 ( 0.198 2.561 -4.522) 5.201 7.224 ( 0.763 -2.356 -4.233) 4.904 7.403 ( 1.453 2.055 -0.458) 2.558 7.459 ( -0.281 -3.457 -3.849) 5.181 8.320 ( 7.471 7.889 10.963) 15.435 8.459 ( 3.833 -3.161 5.003) 7.050 8.517 ( -4.822 2.855 -4.421) 7.138 8.629 ( -7.104 -5.644 -8.503) 12.435 9.036 ( -0.703 1.208 0.948) 1.689 9.065 ( -0.954 -1.464 0.373) 1.786 9.218 ( -0.163 1.891 -2.388) 3.050 9.267 ( 0.819 -2.810 -1.527) 3.301 10.437 ( -3.184 2.812 0.255) 4.256 10.478 ( -3.590 -1.247 -1.247) 4.000 15.614 ( 2.804 0.531 -0.057) 2.855 15.626 ( 3.088 -0.611 0.003) 3.148 15.948 ( -0.724 0.970 2.250) 2.555 15.967 ( -0.410 -0.918 3.073) 3.234 16.465 ( 0.600 2.883 -3.932) 4.912 16.511 ( 1.453 -1.355 -3.717) 4.214 16.727 ( -1.281 -0.068 1.537) 2.002 16.760 ( -1.211 -3.133 0.710) 3.433 17.659 ( 5.629 3.272 8.697) 10.864 17.721 ( 3.026 -2.791 4.812) 6.333 17.965 ( 1.084 -0.057 -0.421) 1.164 17.977 ( 2.316 -1.385 1.658) 3.167 18.189 ( -0.345 1.818 1.292) 2.257 18.233 ( -0.257 -2.367 1.892) 3.041 18.490 ( -3.432 3.301 -4.587) 6.612 18.586 ( -4.987 -6.193 -6.037) 9.983 ======================= Grid point 141 (73/130) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 6.057 4.667 3.460) 8.392 1.194 ( 9.569 -0.281 2.381) 9.864 1.376 ( 6.221 3.990 1.837) 7.615 1.436 ( 4.021 0.265 9.218) 10.061 1.512 ( 7.905 3.116 -5.658) 10.209 1.603 ( -0.722 -2.192 -3.550) 4.234 1.627 ( 1.000 0.983 -7.045) 7.183 1.668 ( 3.838 -2.340 -5.622) 7.198 1.985 ( 5.075 1.804 0.212) 5.390 2.010 ( 4.916 -0.314 -0.016) 4.926 2.233 ( 4.877 4.032 1.465) 6.496 2.321 ( 3.862 -4.039 0.344) 5.599 2.436 ( 6.429 0.659 0.329) 6.471 2.481 ( 7.269 -3.559 -0.867) 8.139 2.830 ( 0.583 3.078 -0.081) 3.134 2.853 ( 2.157 0.672 -0.794) 2.395 3.184 ( 1.095 1.373 3.575) 3.983 3.263 ( 1.685 -6.188 -0.952) 6.483 3.674 ( -0.069 4.398 0.040) 4.399 3.738 ( -2.594 -2.008 -1.095) 3.458 3.966 ( -2.248 2.760 1.392) 3.822 4.023 ( -2.696 -2.370 0.132) 3.592 4.740 ( -1.246 2.815 0.858) 3.195 4.816 ( -1.719 -4.638 -0.150) 4.948 5.036 ( -3.402 4.002 0.979) 5.343 5.101 ( -2.063 -2.290 2.916) 4.243 5.345 ( 0.649 3.792 -1.137) 4.012 5.419 ( -1.045 -3.417 -0.184) 3.578 5.760 ( 1.663 2.072 -2.102) 3.388 5.796 ( -1.291 -1.334 -2.033) 2.753 6.020 ( -8.897 2.912 1.764) 9.526 6.081 ( -8.883 -2.974 0.189) 9.369 6.356 ( 2.308 3.259 -0.291) 4.004 6.413 ( 2.431 -2.390 0.169) 3.413 6.986 ( 1.684 1.498 3.672) 4.309 7.012 ( 0.503 -1.093 1.610) 2.010 7.165 ( 2.047 2.224 -3.381) 4.534 7.214 ( 1.659 -2.560 -3.215) 4.432 7.452 ( 2.331 0.638 1.700) 2.955 7.479 ( 2.673 -1.937 1.320) 3.556 8.278 ( -7.912 7.279 -10.244) 14.850 8.420 ( -7.598 -6.595 -10.078) 14.241 8.531 ( 6.480 7.217 10.324) 14.166 8.664 ( 5.746 -5.867 8.636) 11.917 9.022 ( -1.223 0.807 0.302) 1.496 9.040 ( -1.809 -0.987 0.444) 2.108 9.189 ( -1.268 3.043 -2.509) 4.143 9.265 ( -0.192 -4.153 -1.366) 4.376 10.365 ( -4.458 2.381 0.069) 5.054 10.399 ( -4.303 -0.974 -0.284) 4.421 15.676 ( 3.797 0.987 -0.783) 4.000 15.696 ( 4.383 -0.986 -1.200) 4.650 15.968 ( 1.507 2.312 4.619) 5.380 16.017 ( 2.909 -2.526 6.283) 7.370 16.472 ( 2.157 3.595 -2.139) 4.707 16.538 ( 2.991 -2.305 -1.895) 4.225 16.709 ( -1.806 -0.331 1.886) 2.632 16.736 ( -1.801 -2.531 1.292) 3.364 17.621 ( -8.570 1.579 -10.823) 13.895 17.654 ( -6.175 -1.701 -9.077) 11.110 18.017 ( 1.296 3.592 6.660) 7.677 18.092 ( 1.143 -3.726 8.096) 8.985 18.201 ( 1.822 1.932 -0.447) 2.693 18.243 ( 1.081 -2.146 -0.285) 2.420 18.467 ( 2.025 -0.227 1.203) 2.366 18.509 ( 0.906 -4.110 0.315) 4.221 ======================= Grid point 142 (74/130) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.742 3.539 -2.509) 4.401 1.269 ( -0.446 -1.773 -2.360) 2.986 1.466 ( 5.751 4.898 -3.630) 8.381 1.498 ( 5.552 2.414 0.638) 6.088 1.647 ( 5.043 0.542 4.163) 6.561 1.665 ( 6.528 1.797 1.290) 6.892 1.704 ( 7.937 -0.637 -0.922) 8.016 1.773 ( 8.305 -4.403 -2.039) 9.618 2.030 ( 0.418 2.318 -2.466) 3.410 2.070 ( 1.967 -1.217 -1.333) 2.669 2.316 ( 2.088 3.309 1.638) 4.241 2.365 ( 2.243 -1.381 -0.160) 2.639 2.604 ( 11.516 1.088 -0.022) 11.568 2.656 ( 10.862 -3.658 2.366) 11.703 2.817 ( 0.986 4.433 -2.139) 5.019 2.877 ( 1.741 -1.477 -3.601) 4.263 3.255 ( 2.369 1.504 3.828) 4.746 3.317 ( 1.718 -4.486 2.619) 5.472 3.673 ( -1.148 1.755 0.153) 2.103 3.690 ( -2.240 0.260 0.811) 2.396 3.900 ( -4.786 2.386 0.291) 5.356 3.952 ( -3.374 -2.428 1.088) 4.297 4.716 ( -1.499 2.250 -0.739) 2.803 4.777 ( -2.057 -3.845 -1.708) 4.683 4.987 ( -3.294 4.134 0.953) 5.371 5.066 ( -3.966 -3.403 1.651) 5.480 5.318 ( -1.781 3.016 -2.132) 4.101 5.365 ( -3.519 -1.638 -0.934) 3.992 5.761 ( -0.086 1.628 -1.819) 2.442 5.795 ( 1.685 -1.697 -2.185) 3.239 5.888 ( -6.182 3.284 1.306) 7.121 5.950 ( -5.705 -2.875 0.745) 6.432 6.383 ( 1.163 3.287 -0.089) 3.488 6.439 ( 0.503 -2.264 0.465) 2.366 7.044 ( 2.653 1.734 2.124) 3.815 7.058 ( 2.723 0.361 3.058) 4.111 7.200 ( 3.165 2.135 -1.599) 4.139 7.248 ( 3.368 -2.439 -1.049) 4.289 7.484 ( -0.166 1.940 1.436) 2.419 7.543 ( 1.338 -3.987 4.404) 6.089 8.099 ( -4.652 6.130 -7.826) 10.975 8.226 ( -6.028 -6.345 -8.637) 12.296 8.696 ( 4.805 5.574 7.348) 10.400 8.790 ( 3.089 -3.685 4.387) 6.509 8.996 ( -1.483 1.643 -0.146) 2.218 9.022 ( -0.800 -1.392 1.635) 2.292 9.141 ( -2.072 3.684 -2.486) 4.904 9.238 ( -1.717 -5.317 -1.597) 5.811 10.291 ( -3.406 2.023 -0.066) 3.962 10.325 ( -3.658 -1.296 0.089) 3.882 15.725 ( 2.218 1.343 -1.126) 2.827 15.750 ( 2.927 -1.131 -2.031) 3.738 16.078 ( 6.285 3.169 5.695) 9.054 16.147 ( 5.625 -3.719 7.199) 9.864 16.498 ( 1.258 3.481 -0.872) 3.802 16.572 ( 1.202 -3.284 -1.626) 3.856 16.697 ( -0.495 0.859 2.482) 2.673 16.733 ( 0.435 -2.205 2.918) 3.683 17.351 ( -10.712 2.463 -12.233) 16.445 17.408 ( -10.530 -3.120 -13.207) 17.177 18.037 ( -3.016 3.038 5.680) 7.113 18.096 ( -4.085 -2.863 5.588) 7.491 18.239 ( 2.099 1.443 -0.735) 2.651 18.273 ( 2.122 -1.846 -0.623) 2.881 18.521 ( 3.059 2.841 1.952) 4.609 18.618 ( 6.408 -6.462 1.849) 9.286 ======================= Grid point 143 (75/130) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.636 2.312 -1.234) 2.697 1.237 ( -0.515 -1.546 -0.720) 1.782 1.555 ( 5.585 3.888 -8.310) 10.741 1.588 ( 4.528 1.029 -5.844) 7.464 1.750 ( 2.838 0.563 3.597) 4.616 1.767 ( -0.972 -1.065 1.365) 1.986 1.823 ( 7.239 3.931 2.386) 8.576 1.900 ( 6.109 -3.211 1.089) 6.987 2.014 ( 0.853 3.441 -0.773) 3.629 2.081 ( 1.256 -2.733 -0.337) 3.027 2.335 ( -0.501 3.853 2.116) 4.425 2.413 ( 0.977 -3.463 3.072) 4.731 2.732 ( 3.359 3.863 -3.818) 6.386 2.816 ( 3.270 -4.243 -3.464) 6.379 2.927 ( 10.025 2.604 0.271) 10.361 2.949 ( 11.510 0.316 1.032) 11.561 3.267 ( -4.103 1.723 2.438) 5.074 3.310 ( -4.875 -2.256 3.688) 6.516 3.606 ( -2.923 4.222 -0.766) 5.192 3.701 ( 1.678 -5.206 -0.476) 5.490 3.826 ( -4.235 5.056 2.868) 7.192 3.930 ( -2.034 -5.085 2.820) 6.160 4.688 ( -0.557 1.947 -0.067) 2.026 4.728 ( -1.596 -2.216 -0.491) 2.775 4.930 ( -2.700 3.006 -0.547) 4.077 4.995 ( -3.592 -3.262 -0.504) 4.878 5.279 ( -0.242 2.041 -3.458) 4.023 5.301 ( -2.424 -0.315 -1.917) 3.107 5.739 ( -1.305 1.714 -2.818) 3.547 5.761 ( -2.266 -0.156 -2.185) 3.151 5.850 ( -0.459 1.002 1.158) 1.599 5.883 ( -2.257 -2.157 0.785) 3.219 6.406 ( 1.351 2.609 0.465) 2.975 6.448 ( 0.186 -1.472 0.762) 1.668 7.105 ( 1.729 2.396 3.211) 4.364 7.132 ( 2.369 -0.017 4.405) 5.002 7.245 ( 2.452 4.035 -0.894) 4.805 7.313 ( 4.593 -2.224 -1.883) 5.439 7.459 ( -2.935 2.670 0.337) 3.982 7.553 ( -3.311 -6.618 2.223) 7.727 8.034 ( 1.086 4.503 -1.361) 4.828 8.131 ( 0.201 -5.036 -1.121) 5.164 8.770 ( -0.245 3.632 -1.024) 3.782 8.825 ( -0.146 -1.746 -0.740) 1.902 8.986 ( 0.021 3.388 2.263) 4.075 9.025 ( -0.478 -1.163 1.803) 2.198 9.098 ( -0.835 2.270 -1.283) 2.738 9.189 ( -1.940 -5.605 -1.710) 6.172 10.247 ( -1.410 1.212 -0.032) 1.860 10.272 ( -2.198 -1.218 0.075) 2.514 15.749 ( 1.181 1.955 -0.043) 2.284 15.787 ( 2.329 -1.744 -1.032) 3.087 16.216 ( 4.437 2.276 1.173) 5.123 16.263 ( 2.906 -2.360 2.008) 4.248 16.482 ( -2.690 2.529 -2.740) 4.598 16.543 ( -2.189 -3.141 -4.033) 5.561 16.717 ( 0.360 1.848 0.660) 1.995 16.764 ( -0.078 -2.576 -0.023) 2.577 17.177 ( -1.306 1.946 1.052) 2.569 17.221 ( -1.335 -2.459 0.597) 2.861 18.002 ( -3.690 1.913 2.947) 5.095 18.043 ( -4.778 -2.177 3.392) 6.251 18.264 ( 1.127 1.189 -0.542) 1.726 18.300 ( 1.073 -2.269 -0.426) 2.546 18.572 ( 1.634 5.335 -1.327) 5.735 18.704 ( 2.761 -7.509 -2.325) 8.332 ======================= Grid point 144 (76/130) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 2.781 0.578 2.422) 3.733 1.253 ( 1.517 -0.882 1.551) 2.343 1.504 ( -4.140 3.051 -10.279) 11.494 1.543 ( -4.772 -0.583 -10.161) 11.240 1.714 ( -1.022 4.059 0.252) 4.193 1.778 ( -0.436 -2.445 -0.248) 2.496 1.970 ( 6.105 3.882 2.380) 7.616 2.022 ( 4.731 2.138 1.718) 5.469 2.048 ( 1.440 0.675 3.230) 3.600 2.129 ( 2.473 -3.644 3.070) 5.369 2.323 ( -2.777 3.514 1.916) 4.871 2.403 ( -4.863 -3.846 3.414) 7.078 2.763 ( 2.426 3.245 -3.916) 5.635 2.817 ( 1.310 -1.731 -4.767) 5.238 3.063 ( 2.275 3.715 -0.184) 4.360 3.130 ( -5.576 -2.799 1.079) 6.332 3.174 ( 2.330 1.738 2.770) 4.015 3.232 ( -1.846 -3.465 2.023) 4.417 3.605 ( 1.594 5.959 2.979) 6.850 3.706 ( -1.040 -2.062 0.361) 2.338 3.804 ( -0.204 1.109 2.795) 3.014 3.883 ( -2.811 -4.950 -0.511) 5.715 4.715 ( 2.436 1.592 2.297) 3.708 4.738 ( 1.587 -0.840 2.503) 3.081 4.892 ( -0.860 2.178 -1.320) 2.689 4.940 ( -1.299 -2.546 -2.118) 3.558 5.249 ( -0.452 1.744 -4.326) 4.686 5.270 ( 1.426 -0.285 -3.582) 3.866 5.696 ( -0.159 1.803 -2.825) 3.355 5.729 ( 0.581 -1.369 -3.178) 3.509 5.839 ( -1.465 1.377 1.499) 2.507 5.869 ( -0.408 -1.652 0.187) 1.712 6.433 ( 0.987 1.690 0.998) 2.197 6.456 ( 0.108 -0.495 0.684) 0.851 7.138 ( -1.018 2.071 4.102) 4.707 7.172 ( -1.798 -1.156 4.683) 5.148 7.278 ( 1.972 7.017 -0.517) 7.307 7.380 ( 4.099 -1.428 -2.512) 5.015 7.412 ( -1.152 -0.030 -0.696) 1.347 7.461 ( -6.053 -6.072 -1.042) 8.637 8.110 ( 5.259 5.080 5.560) 9.186 8.219 ( 6.223 -5.644 7.341) 11.157 8.676 ( -5.469 5.907 -8.354) 11.601 8.775 ( -3.383 -3.956 -5.702) 7.721 9.009 ( -0.092 1.307 2.494) 2.818 9.025 ( -0.529 -0.785 1.610) 1.868 9.097 ( 1.247 2.442 -0.050) 2.743 9.170 ( 0.888 -4.131 -1.050) 4.354 10.238 ( 0.255 0.362 0.170) 0.474 10.249 ( -0.170 -0.677 -0.085) 0.703 15.776 ( 1.330 2.241 1.575) 3.045 15.823 ( 1.840 -2.355 0.522) 3.034 16.183 ( -6.507 2.067 -5.021) 8.475 16.228 ( -7.051 -2.412 -6.257) 9.731 16.418 ( 1.073 3.573 -3.136) 4.874 16.489 ( 1.209 -3.345 -4.683) 5.880 16.705 ( -1.552 0.802 -0.415) 1.796 16.729 ( -1.333 -1.430 -1.614) 2.535 17.328 ( 9.863 2.890 14.116) 17.462 17.392 ( 11.052 -3.474 14.885) 18.862 17.945 ( -3.479 1.181 -0.675) 3.736 17.973 ( -4.049 -1.584 0.002) 4.348 18.272 ( 0.026 1.112 -0.451) 1.200 18.306 ( -0.057 -2.292 -0.353) 2.320 18.554 ( -1.517 5.503 -4.085) 7.019 18.686 ( -1.565 -7.411 -5.853) 9.572 ======================= Grid point 145 (77/130) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -3.130 2.599 -3.043) 5.081 1.293 ( -0.913 0.811 0.826) 1.475 1.323 ( -6.045 -0.036 -8.995) 10.837 1.361 ( -6.472 -1.334 -5.374) 8.517 1.742 ( 2.092 2.724 4.260) 5.473 1.777 ( 0.444 -0.766 1.852) 2.053 2.012 ( -2.595 4.101 1.372) 5.044 2.067 ( -1.872 0.418 2.875) 3.456 2.095 ( 3.183 3.505 -2.445) 5.329 2.200 ( 2.728 -4.454 0.975) 5.313 2.249 ( -6.262 1.756 0.670) 6.538 2.297 ( -8.396 -2.597 3.361) 9.409 2.734 ( -2.556 4.034 -3.664) 6.019 2.786 ( -3.123 -1.122 -3.780) 5.030 2.924 ( -10.659 0.955 -0.331) 10.707 2.973 ( -10.274 -3.671 0.356) 10.916 3.275 ( 1.099 1.751 3.311) 3.904 3.301 ( 7.476 -0.634 2.107) 7.793 3.667 ( 3.331 1.540 3.372) 4.984 3.696 ( -2.200 -1.556 1.506) 3.087 3.832 ( 3.157 1.699 1.910) 4.062 3.876 ( 0.725 -2.592 -0.308) 2.709 4.765 ( 0.408 0.872 1.290) 1.609 4.780 ( 1.071 -0.537 0.620) 1.349 4.887 ( 1.803 2.365 -0.890) 3.104 4.929 ( 1.686 -1.741 -2.284) 3.330 5.239 ( 2.933 3.202 -4.655) 6.366 5.291 ( 3.083 -1.722 -2.600) 4.385 5.713 ( 3.741 1.089 -1.926) 4.346 5.751 ( 4.159 -2.353 -2.920) 5.600 5.822 ( -1.346 2.143 1.195) 2.799 5.859 ( -0.820 -1.584 0.276) 1.805 6.454 ( 0.378 1.054 1.498) 1.870 6.462 ( 0.283 0.270 0.300) 0.492 7.101 ( -5.072 2.688 2.011) 6.083 7.142 ( -4.335 -1.281 3.797) 5.904 7.309 ( 0.297 2.874 2.086) 3.564 7.367 ( -2.974 -2.735 0.938) 4.148 7.407 ( 1.140 0.528 -1.442) 1.913 7.433 ( 3.081 -2.028 -1.505) 3.984 8.274 ( 6.807 6.566 9.008) 13.061 8.400 ( 5.709 -4.762 6.477) 9.860 8.504 ( -5.167 5.869 -7.573) 10.885 8.637 ( -5.836 -6.246 -9.482) 12.766 9.018 ( -0.016 0.023 1.405) 1.406 9.029 ( -0.026 -1.110 1.828) 2.139 9.133 ( 2.211 2.838 -0.064) 3.598 9.191 ( 2.075 -2.783 -1.708) 3.869 10.252 ( 1.380 0.914 0.062) 1.656 10.271 ( 2.369 -0.946 0.060) 2.551 15.814 ( 0.936 2.082 2.443) 3.343 15.859 ( 1.336 -2.353 1.338) 3.019 15.995 ( -8.815 1.373 -4.237) 9.876 16.024 ( -8.732 -1.489 -5.395) 10.372 16.452 ( 3.851 3.445 -1.993) 5.538 16.523 ( 4.352 -3.374 -3.041) 6.290 16.666 ( -2.474 1.514 0.310) 2.918 16.702 ( -1.449 -2.059 0.002) 2.518 17.619 ( 9.540 3.221 12.482) 16.037 17.683 ( 6.933 -2.987 8.582) 11.430 17.889 ( 0.764 0.302 0.667) 1.058 17.907 ( -1.187 -1.359 -2.563) 3.134 18.262 ( -0.641 1.199 -0.253) 1.383 18.297 ( -0.528 -2.305 -0.204) 2.373 18.481 ( -3.076 4.073 -3.631) 6.264 18.588 ( -4.283 -6.466 -6.125) 9.883 ======================= Grid point 146 (78/130) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -6.535 4.289 -6.056) 9.888 1.124 ( -7.856 3.009 -4.754) 9.663 1.255 ( -4.822 -0.927 -2.842) 5.673 1.268 ( -3.404 -2.894 -3.183) 5.485 1.807 ( -1.616 0.910 5.077) 5.405 1.814 ( -0.321 0.372 4.436) 4.463 1.936 ( -4.830 5.207 2.395) 7.495 2.013 ( -4.738 -1.840 0.706) 5.132 2.071 ( -3.222 2.749 -5.657) 7.067 2.107 ( -7.489 -0.489 -1.954) 7.755 2.189 ( -5.662 -0.168 5.008) 7.561 2.226 ( 0.260 -3.012 -1.402) 3.332 2.604 ( -9.930 3.404 -0.296) 10.501 2.672 ( -8.559 -2.803 0.547) 9.023 2.788 ( -3.168 1.082 -4.344) 5.485 2.810 ( -3.055 -1.275 -3.384) 4.733 3.309 ( -1.265 5.016 7.681) 9.261 3.414 ( 1.611 -4.743 5.435) 7.392 3.661 ( -0.788 4.748 -3.261) 5.814 3.764 ( 3.389 -4.627 0.498) 5.757 3.879 ( 0.855 0.514 1.169) 1.536 3.895 ( 2.288 -1.354 0.533) 2.711 4.739 ( -2.278 2.146 -1.500) 3.470 4.780 ( -0.225 -1.892 -2.064) 2.809 4.957 ( 4.782 1.266 1.299) 5.114 4.976 ( 5.036 -0.379 0.502) 5.075 5.290 ( 5.173 2.938 -3.755) 7.035 5.336 ( 2.607 -1.237 -0.973) 3.045 5.774 ( 1.318 2.228 -1.452) 2.968 5.823 ( 2.456 -2.198 -1.993) 3.851 5.828 ( 3.802 0.808 0.615) 3.936 5.857 ( 3.313 -2.141 -0.575) 3.986 6.465 ( -0.293 1.168 1.610) 2.011 6.474 ( 0.686 0.330 0.551) 0.940 7.013 ( -5.303 2.875 1.453) 6.205 7.066 ( -5.377 -2.379 1.848) 6.163 7.303 ( -1.512 2.501 1.275) 3.189 7.357 ( -1.157 -2.794 1.318) 3.299 7.425 ( 1.428 2.992 0.563) 3.362 7.493 ( 3.375 -3.541 3.067) 5.774 8.265 ( -6.696 8.348 -11.636) 15.809 8.417 ( -3.560 -5.210 -8.312) 10.436 8.499 ( 3.967 4.763 6.628) 9.074 8.625 ( 6.110 -6.102 8.632) 12.210 9.026 ( -0.059 0.794 1.048) 1.316 9.052 ( 1.066 -1.772 2.150) 2.983 9.166 ( 2.021 2.212 -1.709) 3.449 9.215 ( 1.897 -2.602 -2.348) 3.985 10.294 ( 3.294 2.084 0.000) 3.898 10.331 ( 4.071 -1.453 0.197) 4.327 15.779 ( -5.015 1.630 -2.858) 5.998 15.813 ( -6.369 -1.539 -3.300) 7.337 15.899 ( -0.030 1.938 2.968) 3.544 15.945 ( -0.324 -2.546 5.984) 6.512 16.522 ( 4.516 3.362 -0.594) 5.662 16.584 ( 2.894 -1.864 -1.502) 3.756 16.630 ( -0.731 1.086 0.456) 1.387 16.680 ( -0.962 -3.193 1.316) 3.585 17.622 ( -6.191 1.965 -11.011) 12.784 17.663 ( -4.454 -2.056 -9.561) 10.746 17.986 ( 4.731 2.617 8.361) 9.957 18.039 ( 3.929 -2.521 9.009) 10.147 18.262 ( 1.087 1.180 0.485) 1.676 18.289 ( -1.199 -1.411 0.551) 1.932 18.449 ( 2.944 -0.223 0.634) 3.019 18.489 ( -2.201 -4.046 -1.961) 5.005 ======================= Grid point 147 (79/130) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -5.875 3.777 -1.009) 7.057 0.985 ( -4.552 3.482 -1.012) 5.820 1.125 ( -6.939 1.197 -3.595) 7.906 1.174 ( -3.882 -2.922 -2.886) 5.652 1.676 ( -10.237 2.913 0.032) 10.644 1.719 ( -9.196 -1.422 -1.191) 9.381 1.932 ( -6.648 1.631 -2.782) 7.389 1.949 ( 0.665 2.630 3.924) 4.770 1.972 ( -5.803 -1.785 -0.057) 6.072 1.999 ( -0.694 -1.206 1.640) 2.151 2.138 ( -2.874 3.618 1.552) 4.875 2.217 ( -0.287 -3.157 -1.077) 3.348 2.421 ( -9.013 2.170 -1.740) 9.433 2.490 ( -8.836 -4.223 -1.795) 9.957 2.761 ( 1.260 3.403 -0.112) 3.630 2.810 ( 1.905 -1.303 0.590) 2.382 3.322 ( -1.802 6.192 5.029) 8.178 3.440 ( -1.593 -5.414 3.989) 6.911 3.628 ( 0.501 3.963 -4.007) 5.658 3.728 ( -2.332 -5.529 -7.848) 9.880 3.907 ( -0.387 3.195 2.604) 4.139 3.973 ( 2.446 -3.386 5.331) 6.773 4.697 ( -0.783 3.132 -0.541) 3.273 4.767 ( 0.731 -3.654 -1.507) 4.020 5.051 ( 5.160 3.509 0.411) 6.253 5.112 ( 6.787 -2.344 2.889) 7.740 5.350 ( 2.358 1.196 -2.481) 3.626 5.363 ( 1.274 0.113 0.568) 1.400 5.752 ( -0.765 3.569 -2.868) 4.642 5.810 ( -0.679 -1.913 -1.223) 2.371 5.936 ( 6.177 -0.191 0.257) 6.186 5.961 ( 6.714 -2.468 -1.835) 7.385 6.462 ( -1.321 1.974 1.876) 3.026 6.488 ( 0.093 -0.426 0.993) 1.084 6.941 ( -3.599 2.793 1.756) 4.882 6.994 ( -3.301 -2.426 1.371) 4.320 7.271 ( -2.063 2.533 -1.166) 3.468 7.321 ( -2.467 -2.357 -1.352) 3.670 7.468 ( 1.439 5.616 3.518) 6.782 7.588 ( 3.174 -6.160 5.531) 8.867 8.086 ( -4.536 7.776 -9.107) 12.805 8.244 ( -5.238 -7.745 -9.929) 13.638 8.662 ( 5.536 5.884 7.624) 11.108 8.767 ( 3.957 -4.414 5.481) 8.073 9.024 ( -0.661 2.721 0.086) 2.801 9.085 ( 0.630 -3.296 2.092) 3.955 9.189 ( 2.270 1.304 -2.576) 3.673 9.228 ( 1.466 -2.459 -2.767) 3.981 10.366 ( 4.335 3.051 0.068) 5.302 10.417 ( 5.114 -1.905 0.082) 5.458 15.676 ( -4.253 0.997 -1.248) 4.544 15.696 ( -4.834 -0.858 -0.927) 4.996 15.928 ( 0.325 2.389 3.246) 4.043 15.984 ( -0.616 -3.194 5.632) 6.504 16.562 ( -0.495 2.768 -1.250) 3.077 16.606 ( 1.171 -0.244 1.013) 1.567 16.661 ( 2.844 0.398 1.135) 3.088 16.713 ( 2.755 -3.479 2.588) 5.138 17.422 ( -6.309 2.596 -11.268) 13.172 17.478 ( -5.898 -2.986 -11.987) 13.689 18.045 ( -1.889 1.924 4.034) 4.852 18.081 ( -2.174 -1.606 3.867) 4.718 18.246 ( -3.183 0.850 1.086) 3.469 18.274 ( -1.228 -1.558 0.540) 2.056 18.519 ( 4.888 1.869 2.202) 5.678 18.594 ( 8.354 -5.304 2.400) 10.183 ======================= Grid point 148 (80/130) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -8.529 5.466 2.976) 10.558 0.939 ( -3.089 -2.230 2.090) 4.346 0.998 ( -2.564 6.247 -0.509) 6.772 1.110 ( -1.956 -3.831 1.420) 4.529 1.551 ( -2.558 3.934 1.073) 4.814 1.592 ( -2.411 -0.190 -2.613) 3.561 1.805 ( -4.696 2.541 -1.893) 5.665 1.863 ( -5.138 -3.006 -0.198) 5.956 1.948 ( -2.698 2.035 -1.086) 3.550 1.985 ( -2.449 -1.359 -1.142) 3.025 2.114 ( 0.214 3.169 0.617) 3.236 2.187 ( -1.598 -2.292 -2.631) 3.838 2.284 ( -5.247 2.231 1.717) 5.955 2.370 ( -4.647 -4.764 2.658) 7.166 2.785 ( 1.263 3.211 -3.450) 4.879 2.838 ( 1.574 -1.463 -3.491) 4.100 3.329 ( -1.001 5.012 5.063) 7.194 3.423 ( -1.678 -4.298 0.836) 4.689 3.648 ( 0.308 -0.670 -1.626) 1.786 3.656 ( 2.139 -1.861 0.205) 2.842 3.891 ( -2.359 5.499 0.565) 6.011 3.997 ( -1.436 -4.999 0.047) 5.201 4.717 ( 1.597 3.346 3.223) 4.912 4.799 ( 2.482 -4.546 1.413) 5.369 5.135 ( 4.176 4.484 -1.111) 6.228 5.207 ( 2.336 -2.396 -0.492) 3.382 5.340 ( -2.084 1.643 0.448) 2.691 5.376 ( -1.158 -1.692 -0.355) 2.081 5.734 ( 1.358 4.059 -2.920) 5.181 5.806 ( 1.737 -2.641 -2.269) 3.892 6.032 ( 4.206 0.749 1.114) 4.415 6.070 ( 5.690 -2.470 1.144) 6.307 6.436 ( -2.926 2.897 1.167) 4.280 6.482 ( -1.570 -1.595 0.519) 2.297 6.910 ( -1.447 3.152 2.686) 4.387 6.971 ( -0.532 -2.853 1.919) 3.479 7.223 ( -1.540 2.241 -2.415) 3.637 7.265 ( -1.903 -1.827 -2.522) 3.650 7.489 ( -1.353 6.999 -0.110) 7.129 7.632 ( -1.210 -6.850 -0.785) 7.001 8.022 ( 1.381 6.142 -0.145) 6.297 8.159 ( 0.990 -7.090 -0.187) 7.161 8.762 ( 1.026 3.914 1.390) 4.278 8.826 ( 0.232 -2.203 0.378) 2.247 9.014 ( 0.155 3.031 0.032) 3.035 9.088 ( -1.468 -4.009 1.344) 4.476 9.214 ( 2.019 0.731 -2.399) 3.219 9.240 ( 1.906 -1.782 -2.540) 3.642 10.438 ( 3.082 3.699 0.086) 4.815 10.501 ( 3.811 -2.535 -0.697) 4.630 15.611 ( -2.486 0.602 -0.070) 2.558 15.625 ( -2.800 -0.646 0.171) 2.878 15.945 ( -0.280 1.916 1.968) 2.761 15.987 ( -1.896 -2.300 3.276) 4.429 16.535 ( -1.196 3.448 -1.911) 4.119 16.603 ( -0.742 -2.932 -2.881) 4.177 16.722 ( 1.567 1.438 1.370) 2.530 16.763 ( 0.826 -2.221 0.968) 2.560 17.319 ( 0.865 2.890 -0.122) 3.019 17.380 ( 1.415 -3.068 -0.588) 3.429 18.014 ( -2.691 1.557 0.978) 3.259 18.048 ( -3.065 -1.811 1.717) 3.952 18.207 ( -2.007 1.464 1.505) 2.904 18.247 ( -2.031 -2.371 1.694) 3.552 18.604 ( 2.758 4.137 -1.217) 5.119 18.714 ( 3.812 -6.651 -1.786) 7.871 ======================= Grid point 189 (81/130) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.108 0.000 12.745) 12.793 0.721 ( 0.918 0.000 0.805) 1.221 0.743 ( 1.163 0.000 17.929) 17.967 1.076 ( -0.112 0.000 -15.939) 15.940 1.106 ( 4.035 0.000 10.294) 11.056 1.430 ( -6.131 0.000 -19.647) 20.581 1.478 ( -0.106 0.000 9.972) 9.973 1.669 ( -1.485 0.000 -8.888) 9.011 1.784 ( 6.687 0.000 2.596) 7.173 1.844 ( -6.245 0.000 -3.520) 7.168 2.177 ( -1.288 0.000 9.787) 9.872 2.289 ( 4.822 0.000 0.586) 4.857 2.505 ( 2.837 0.000 6.125) 6.751 2.536 ( 4.057 0.000 -1.415) 4.297 2.749 ( 0.069 0.000 1.176) 1.178 2.879 ( -4.950 0.000 -7.750) 9.196 3.414 ( -2.194 0.000 10.087) 10.323 3.483 ( 10.723 0.000 0.387) 10.730 3.502 ( -10.166 0.000 -0.817) 10.199 3.575 ( 1.794 0.000 -6.427) 6.672 3.908 ( 0.918 0.000 7.162) 7.221 4.085 ( 0.441 0.000 -8.462) 8.473 4.817 ( 3.697 0.000 5.686) 6.783 4.929 ( -13.490 0.000 -0.752) 13.511 5.061 ( -4.932 0.000 -1.654) 5.202 5.145 ( 0.902 0.000 0.666) 1.121 5.237 ( 5.019 0.000 -3.888) 6.349 5.298 ( 10.207 0.000 -3.831) 10.902 5.756 ( 4.360 0.000 2.382) 4.969 5.821 ( -0.422 0.000 -3.258) 3.285 6.117 ( -4.740 0.000 8.426) 9.668 6.262 ( 1.519 0.000 -4.298) 4.558 6.282 ( -7.641 0.000 2.774) 8.129 6.343 ( 8.585 0.000 -4.623) 9.751 6.856 ( 0.162 0.000 5.827) 5.829 6.968 ( -0.341 0.000 -5.505) 5.516 7.168 ( 4.049 0.000 5.135) 6.540 7.258 ( -0.240 0.000 -3.590) 3.598 7.457 ( 6.641 0.000 11.795) 13.536 7.679 ( -6.767 0.000 -7.264) 9.928 7.905 ( -0.094 0.000 0.834) 0.839 8.047 ( -5.732 0.000 -10.083) 11.599 8.776 ( 3.553 0.000 6.251) 7.190 8.837 ( 3.049 0.000 3.018) 4.290 8.964 ( 4.665 0.000 1.355) 4.857 9.077 ( -8.877 0.000 -7.301) 11.494 9.362 ( -0.302 0.000 2.351) 2.371 9.397 ( -1.803 0.000 -0.960) 2.043 10.217 ( 0.151 0.000 0.740) 0.755 10.240 ( -0.326 0.000 -1.476) 1.511 15.599 ( -2.372 0.000 0.531) 2.430 15.608 ( 1.960 0.000 0.024) 1.960 15.896 ( 6.718 0.000 3.945) 7.790 16.004 ( -8.944 0.000 -6.146) 10.852 16.404 ( -0.551 0.000 2.584) 2.643 16.439 ( -1.926 0.000 -1.523) 2.456 16.982 ( -2.111 0.000 4.864) 5.302 17.105 ( 7.728 0.000 -6.975) 10.411 17.556 ( 4.233 0.000 9.456) 10.360 17.740 ( -3.374 0.000 -8.651) 9.286 18.063 ( 16.972 0.000 5.275) 17.773 18.123 ( -10.539 0.000 -0.626) 10.558 18.209 ( 0.281 0.000 1.144) 1.178 18.248 ( 0.329 0.000 -3.068) 3.086 19.081 ( -2.383 0.000 3.520) 4.251 19.155 ( -2.047 0.000 -3.849) 4.359 ======================= Grid point 190 (82/130) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 2.792 0.000 9.317) 9.726 0.697 ( 0.836 0.000 -8.227) 8.270 0.968 ( 10.465 0.000 17.341) 20.254 1.028 ( 4.105 0.000 -19.290) 19.722 1.255 ( 1.201 0.000 -14.120) 14.171 1.342 ( 10.562 0.000 15.302) 18.593 1.587 ( 4.308 0.000 11.018) 11.830 1.592 ( -0.519 0.000 -8.391) 8.407 1.751 ( -0.164 0.000 -2.449) 2.454 1.905 ( 3.704 0.000 2.363) 4.394 2.232 ( 1.643 0.000 4.938) 5.205 2.372 ( 6.806 0.000 -8.081) 10.565 2.453 ( -4.782 0.000 -2.408) 5.354 2.533 ( -2.898 0.000 -5.954) 6.622 2.790 ( -0.266 0.000 -5.324) 5.331 2.905 ( 9.332 0.000 8.292) 12.484 3.319 ( -7.453 0.000 -0.353) 7.461 3.424 ( -3.019 0.000 9.120) 9.607 3.554 ( 0.787 0.000 -7.206) 7.248 3.704 ( 11.828 0.000 0.991) 11.869 3.955 ( -7.516 0.000 -10.297) 12.749 3.966 ( 0.082 0.000 7.907) 7.908 4.694 ( -11.316 0.000 0.603) 11.332 4.891 ( -3.542 0.000 8.060) 8.803 5.018 ( 0.438 0.000 1.214) 1.291 5.127 ( -0.522 0.000 4.537) 4.567 5.368 ( 12.233 0.000 -9.997) 15.799 5.388 ( 3.562 0.000 -7.928) 8.692 5.749 ( -4.223 0.000 -5.457) 6.900 5.788 ( -1.618 0.000 -0.266) 1.640 6.057 ( -9.177 0.000 9.929) 13.521 6.161 ( -5.537 0.000 2.097) 5.920 6.232 ( -0.898 0.000 -4.566) 4.654 6.428 ( 3.134 0.000 -2.374) 3.931 6.916 ( 2.042 0.000 5.830) 6.177 6.942 ( 1.218 0.000 -5.577) 5.708 7.184 ( -4.291 0.000 -9.362) 10.299 7.222 ( -0.003 0.000 3.105) 3.105 7.477 ( -5.120 0.000 -7.751) 9.289 7.695 ( 7.769 0.000 10.301) 12.902 7.930 ( 0.467 0.000 -2.665) 2.706 8.022 ( 5.405 0.000 9.791) 11.184 8.788 ( -4.001 0.000 -5.560) 6.850 8.812 ( -5.152 0.000 -5.284) 7.380 8.905 ( -1.964 0.000 0.593) 2.052 9.119 ( 5.686 0.000 5.428) 7.861 9.363 ( -1.919 0.000 -0.294) 1.942 9.369 ( -1.056 0.000 4.208) 4.339 10.233 ( 0.414 0.000 -0.885) 0.977 10.239 ( 1.361 0.000 0.799) 1.578 15.585 ( 0.211 0.000 0.516) 0.558 15.670 ( 4.827 0.000 0.559) 4.860 15.848 ( -4.947 0.000 -5.204) 7.180 16.092 ( 10.797 0.000 8.234) 13.579 16.419 ( -0.220 0.000 0.851) 0.879 16.437 ( 1.855 0.000 3.845) 4.269 16.953 ( -3.188 0.000 2.005) 3.766 17.120 ( 0.242 0.000 -10.515) 10.518 17.570 ( -8.531 0.000 -10.709) 13.692 17.691 ( 4.192 0.000 9.107) 10.025 17.914 ( -9.666 0.000 -8.057) 12.584 18.199 ( -1.065 0.000 1.872) 2.154 18.233 ( 0.183 0.000 -2.323) 2.331 18.339 ( 10.462 0.000 -0.958) 10.506 19.047 ( -7.569 0.000 -0.818) 7.613 19.063 ( -2.825 0.000 6.779) 7.344 ======================= Grid point 191 (83/130) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 5.220 0.000 -8.252) 9.764 0.747 ( 2.973 0.000 -4.071) 5.041 0.946 ( 1.543 0.000 -13.553) 13.640 1.280 ( 5.741 0.000 -3.116) 6.532 1.310 ( 13.757 0.000 17.696) 22.414 1.618 ( 8.297 0.000 -5.061) 9.719 1.632 ( 10.303 0.000 13.192) 16.738 1.752 ( 6.117 0.000 7.423) 9.619 1.814 ( 7.540 0.000 -0.634) 7.566 1.934 ( -1.733 0.000 2.209) 2.808 2.296 ( 4.447 0.000 -0.556) 4.482 2.364 ( -1.670 0.000 -13.032) 13.139 2.394 ( -0.870 0.000 0.316) 0.925 2.482 ( 5.254 0.000 -9.030) 10.447 2.694 ( -4.805 0.000 -6.570) 8.140 3.076 ( 4.383 0.000 1.523) 4.640 3.303 ( 2.027 0.000 8.281) 8.525 3.445 ( -0.706 0.000 9.113) 9.140 3.450 ( -6.132 0.000 -16.791) 17.875 3.749 ( -2.897 0.000 -1.121) 3.106 3.949 ( 7.936 0.000 6.365) 10.173 4.018 ( 0.700 0.000 4.198) 4.256 4.550 ( -4.258 0.000 0.560) 4.294 4.793 ( -8.441 0.000 3.121) 9.000 5.055 ( 1.675 0.000 0.690) 1.811 5.184 ( 0.199 0.000 4.937) 4.941 5.317 ( -4.091 0.000 -12.079) 12.753 5.470 ( 1.369 0.000 -7.291) 7.418 5.644 ( -0.604 0.000 -2.603) 2.673 5.730 ( -3.828 0.000 1.525) 4.121 5.957 ( -5.741 0.000 5.255) 7.783 6.107 ( -3.464 0.000 4.082) 5.354 6.179 ( -2.315 0.000 -2.804) 3.636 6.445 ( 0.688 0.000 -2.093) 2.203 6.895 ( -3.929 0.000 -6.474) 7.572 6.994 ( 2.274 0.000 5.505) 5.956 7.069 ( 2.288 0.000 -7.938) 8.261 7.226 ( -1.654 0.000 3.679) 4.034 7.412 ( 0.454 0.000 -3.651) 3.679 7.769 ( 2.252 0.000 -3.865) 4.473 8.105 ( 9.653 0.000 13.231) 16.378 8.185 ( 4.968 0.000 10.597) 11.703 8.608 ( -8.143 0.000 -11.351) 13.970 8.657 ( -5.726 0.000 -6.570) 8.715 8.933 ( 1.102 0.000 2.364) 2.609 9.193 ( 0.350 0.000 1.581) 1.620 9.316 ( -3.077 0.000 -0.537) 3.124 9.380 ( -1.517 0.000 5.143) 5.362 10.240 ( 0.583 0.000 -0.060) 0.586 10.269 ( 1.359 0.000 0.564) 1.472 15.612 ( 2.277 0.000 0.981) 2.479 15.749 ( -2.595 0.000 -4.044) 4.806 15.789 ( 7.537 0.000 0.611) 7.562 16.373 ( 11.322 0.000 10.353) 15.341 16.433 ( 0.239 0.000 2.468) 2.479 16.514 ( 3.341 0.000 5.093) 6.091 16.904 ( -2.271 0.000 -0.836) 2.420 17.005 ( -4.902 0.000 -8.973) 10.224 17.327 ( -10.007 0.000 -7.921) 12.762 17.658 ( -10.682 0.000 -12.363) 16.338 17.814 ( 3.566 0.000 5.695) 6.719 18.193 ( -0.396 0.000 1.398) 1.453 18.235 ( 1.793 0.000 -2.237) 2.867 18.449 ( 1.693 0.000 1.391) 2.191 18.900 ( -8.707 0.000 2.932) 9.187 19.059 ( -0.735 0.000 0.645) 0.978 ======================= Grid point 192 (84/130) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 8.700 0.000 -6.379) 10.788 0.825 ( 11.528 0.000 -3.592) 12.075 0.945 ( 4.048 0.000 -3.270) 5.203 1.392 ( 6.160 0.000 -1.127) 6.262 1.652 ( 10.344 0.000 16.087) 19.126 1.760 ( 7.966 0.000 2.070) 8.231 1.802 ( -2.676 0.000 5.444) 6.066 1.866 ( 3.282 0.000 3.200) 4.583 1.908 ( -0.344 0.000 -2.617) 2.639 1.938 ( 2.652 0.000 2.204) 3.448 2.273 ( 3.349 0.000 -13.004) 13.428 2.368 ( 2.305 0.000 -3.563) 4.243 2.462 ( 10.116 0.000 4.878) 11.231 2.527 ( 7.040 0.000 -4.965) 8.614 2.684 ( 6.698 0.000 -0.909) 6.759 3.019 ( -9.491 0.000 -7.818) 12.297 3.258 ( -0.588 0.000 -8.776) 8.796 3.388 ( -0.907 0.000 9.379) 9.423 3.533 ( 3.362 0.000 9.061) 9.665 3.730 ( -3.099 0.000 5.170) 6.028 4.017 ( -1.165 0.000 -3.733) 3.911 4.092 ( 3.113 0.000 3.567) 4.734 4.565 ( 6.442 0.000 -3.538) 7.350 4.678 ( -7.003 0.000 5.062) 8.641 5.025 ( -6.593 0.000 -4.181) 7.807 5.142 ( -6.078 0.000 -2.102) 6.432 5.157 ( -1.843 0.000 -8.091) 8.298 5.352 ( -6.714 0.000 -1.328) 6.844 5.672 ( 0.054 0.000 2.295) 2.296 5.689 ( -2.219 0.000 2.265) 3.171 5.931 ( -0.716 0.000 2.176) 2.291 6.095 ( 0.974 0.000 1.563) 1.842 6.113 ( -3.170 0.000 -1.891) 3.691 6.428 ( -1.005 0.000 -2.369) 2.574 6.800 ( -1.451 0.000 -0.817) 1.666 7.067 ( 1.988 0.000 5.097) 5.471 7.137 ( 7.659 0.000 -4.331) 8.799 7.220 ( -2.125 0.000 5.309) 5.719 7.413 ( 1.576 0.000 -2.844) 3.252 7.801 ( 3.812 0.000 -2.902) 4.791 8.226 ( -5.071 0.000 -8.425) 9.833 8.315 ( 1.102 0.000 5.899) 6.001 8.507 ( 5.068 0.000 6.999) 8.641 8.524 ( -3.546 0.000 -1.691) 3.929 8.961 ( 0.961 0.000 0.441) 1.058 9.179 ( -2.031 0.000 0.409) 2.072 9.247 ( -3.801 0.000 -1.003) 3.931 9.362 ( -3.048 0.000 1.388) 3.349 10.251 ( 0.603 0.000 0.192) 0.633 10.292 ( 0.828 0.000 0.200) 0.852 15.667 ( 0.985 0.000 3.248) 3.394 15.718 ( 3.259 0.000 -3.308) 4.643 15.927 ( 7.459 0.000 -2.433) 7.846 16.449 ( -1.148 0.000 3.971) 4.134 16.492 ( -1.270 0.000 -0.205) 1.287 16.612 ( 0.458 0.000 -0.606) 0.759 16.864 ( -4.021 0.000 -7.034) 8.102 16.877 ( -0.192 0.000 -0.893) 0.913 17.175 ( -3.075 0.000 2.582) 4.016 17.461 ( -2.767 0.000 1.221) 3.024 17.878 ( 0.550 0.000 1.856) 1.936 18.208 ( 1.220 0.000 0.584) 1.352 18.263 ( 2.820 0.000 -2.678) 3.889 18.423 ( -6.209 0.000 3.676) 7.215 18.783 ( -6.963 0.000 4.787) 8.449 19.035 ( 0.600 0.000 -7.871) 7.894 ======================= Grid point 193 (85/130) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 9.086 0.000 -3.672) 9.800 1.038 ( 6.460 0.000 1.219) 6.574 1.110 ( 15.961 0.000 5.241) 16.800 1.410 ( -2.596 0.000 -1.897) 3.215 1.723 ( -6.316 0.000 3.172) 7.068 1.750 ( -9.177 0.000 -4.940) 10.422 1.826 ( 0.517 0.000 -4.038) 4.071 1.904 ( 3.268 0.000 7.157) 7.868 1.963 ( 7.852 0.000 8.855) 11.835 2.011 ( 0.688 0.000 1.912) 2.032 2.270 ( 3.850 0.000 -11.554) 12.178 2.380 ( 2.500 0.000 -3.730) 4.490 2.645 ( 5.845 0.000 -3.898) 7.025 2.743 ( -0.302 0.000 -2.748) 2.765 2.822 ( 8.951 0.000 7.161) 11.463 2.914 ( 15.149 0.000 8.334) 17.290 3.258 ( 3.138 0.000 -2.335) 3.912 3.398 ( -3.500 0.000 8.237) 8.950 3.599 ( -3.846 0.000 5.508) 6.718 3.686 ( -6.414 0.000 9.127) 11.155 3.948 ( -0.332 0.000 -10.564) 10.569 4.070 ( -4.408 0.000 -9.520) 10.491 4.604 ( -4.931 0.000 6.343) 8.034 4.676 ( 8.645 0.000 -9.298) 12.695 4.860 ( -5.494 0.000 -1.702) 5.751 4.976 ( -8.102 0.000 -4.466) 9.251 5.141 ( 2.394 0.000 -2.519) 3.475 5.250 ( -5.557 0.000 2.400) 6.053 5.672 ( -1.410 0.000 2.032) 2.473 5.672 ( -0.727 0.000 2.138) 2.259 5.921 ( -2.137 0.000 3.593) 4.181 6.044 ( -2.990 0.000 -1.658) 3.419 6.170 ( 6.199 0.000 -1.192) 6.313 6.377 ( -2.660 0.000 -2.849) 3.897 6.855 ( 5.188 0.000 6.131) 8.031 7.112 ( -1.181 0.000 3.359) 3.561 7.229 ( -0.909 0.000 7.500) 7.554 7.257 ( 7.347 0.000 -1.692) 7.539 7.425 ( 1.467 0.000 -2.294) 2.723 7.864 ( 4.202 0.000 -1.766) 4.558 7.973 ( -9.578 0.000 -16.465) 19.049 8.224 ( -8.172 0.000 -5.009) 9.585 8.590 ( 4.848 0.000 9.399) 10.575 8.720 ( 8.081 0.000 11.759) 14.268 8.967 ( -0.102 0.000 -1.748) 1.751 9.140 ( -2.257 0.000 0.070) 2.258 9.178 ( -2.545 0.000 -1.045) 2.751 9.288 ( -4.361 0.000 -2.892) 5.233 10.265 ( 0.777 0.000 0.300) 0.833 10.300 ( 0.053 0.000 -0.252) 0.257 15.697 ( 1.117 0.000 3.713) 3.878 15.819 ( 7.385 0.000 0.720) 7.420 15.985 ( 1.622 0.000 -7.686) 7.855 16.401 ( -7.543 0.000 -6.853) 10.191 16.430 ( -4.244 0.000 5.201) 6.713 16.491 ( -3.216 0.000 -9.434) 9.967 16.793 ( 0.773 0.000 -5.198) 5.255 16.832 ( -4.211 0.000 0.111) 4.212 17.259 ( 5.476 0.000 12.631) 13.767 17.621 ( 10.982 0.000 15.630) 19.103 17.855 ( -2.406 0.000 -3.801) 4.499 18.231 ( 0.498 0.000 -1.196) 1.295 18.290 ( -9.988 0.000 4.634) 11.011 18.296 ( 2.740 0.000 -3.154) 4.178 18.708 ( -5.359 0.000 6.104) 8.122 18.979 ( 0.989 0.000 -13.313) 13.350 ======================= Grid point 194 (86/130) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 5.777 0.000 0.143) 5.779 1.063 ( -7.556 0.000 -2.116) 7.847 1.318 ( 8.601 0.000 5.317) 10.111 1.464 ( -14.857 0.000 -6.833) 16.353 1.528 ( 11.424 0.000 10.342) 15.410 1.644 ( -3.982 0.000 -2.686) 4.803 1.862 ( 4.851 0.000 -2.570) 5.490 1.875 ( -7.618 0.000 -3.183) 8.257 2.012 ( -3.417 0.000 7.844) 8.556 2.153 ( 7.022 0.000 3.411) 7.807 2.259 ( 0.821 0.000 -3.944) 4.029 2.381 ( -0.440 0.000 -7.245) 7.258 2.607 ( -5.397 0.000 2.361) 5.891 2.683 ( 2.341 0.000 -4.599) 5.161 3.143 ( 7.248 0.000 4.717) 8.648 3.170 ( 2.763 0.000 2.120) 3.483 3.385 ( 14.002 0.000 2.920) 14.303 3.421 ( -12.453 0.000 0.123) 12.453 3.472 ( 3.815 0.000 16.070) 16.517 3.620 ( -8.350 0.000 8.537) 11.942 3.852 ( -6.633 0.000 -14.573) 16.011 3.898 ( 3.338 0.000 -13.027) 13.448 4.581 ( -3.029 0.000 5.791) 6.536 4.726 ( 2.540 0.000 -7.622) 8.034 4.835 ( 3.865 0.000 -2.109) 4.403 4.841 ( -3.355 0.000 -1.768) 3.793 5.166 ( -5.608 0.000 2.775) 6.257 5.201 ( 4.787 0.000 -0.729) 4.842 5.663 ( -0.838 0.000 1.821) 2.004 5.688 ( 1.609 0.000 -0.087) 1.611 5.922 ( -0.488 0.000 5.029) 5.053 5.992 ( -1.486 0.000 -1.513) 2.121 6.271 ( 5.205 0.000 -0.793) 5.265 6.300 ( -3.290 0.000 -3.934) 5.128 7.030 ( 8.141 0.000 5.916) 10.064 7.061 ( -5.579 0.000 1.316) 5.733 7.270 ( -0.799 0.000 6.926) 6.972 7.363 ( 3.878 0.000 -1.393) 4.121 7.451 ( 3.195 0.000 3.137) 4.478 7.668 ( -9.658 0.000 -16.231) 18.887 7.977 ( 6.280 0.000 1.906) 6.562 8.035 ( -8.539 0.000 -4.148) 9.493 8.745 ( 5.050 0.000 8.428) 9.825 8.867 ( -0.464 0.000 -1.779) 1.839 8.974 ( 3.964 0.000 6.219) 7.375 9.095 ( -2.551 0.000 -2.808) 3.793 9.161 ( 1.248 0.000 -0.104) 1.252 9.182 ( -3.797 0.000 -3.593) 5.227 10.281 ( 0.700 0.000 0.450) 0.832 10.292 ( -0.587 0.000 -0.581) 0.826 15.764 ( 2.653 0.000 5.681) 6.270 15.898 ( -4.048 0.000 -8.279) 9.215 15.981 ( 8.406 0.000 5.050) 9.807 16.146 ( -10.757 0.000 -11.139) 15.485 16.378 ( -4.674 0.000 5.649) 7.332 16.477 ( 3.736 0.000 -4.291) 5.689 16.755 ( -4.629 0.000 1.919) 5.011 16.812 ( 3.760 0.000 -3.427) 5.088 17.483 ( 8.296 0.000 14.613) 16.804 17.737 ( -5.494 0.000 -10.731) 12.055 17.952 ( 13.706 0.000 12.362) 18.457 18.090 ( -9.978 0.000 -2.342) 10.249 18.255 ( -0.909 0.000 2.178) 2.360 18.321 ( 2.800 0.000 -3.801) 4.721 18.667 ( -4.541 0.000 9.406) 10.445 18.909 ( 1.434 0.000 -13.809) 13.883 ======================= Grid point 195 (87/130) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -12.423 0.000 0.992) 12.463 1.073 ( -4.061 0.000 -0.479) 4.089 1.169 ( -13.670 0.000 -1.824) 13.791 1.485 ( -9.559 0.000 -8.626) 12.876 1.561 ( 10.678 0.000 10.158) 14.738 1.755 ( 8.352 0.000 2.957) 8.860 1.756 ( -2.223 0.000 2.084) 3.047 1.930 ( 1.681 0.000 0.918) 1.916 1.968 ( -6.096 0.000 6.500) 8.912 2.189 ( 1.118 0.000 -11.476) 11.530 2.265 ( -5.143 0.000 -8.703) 10.110 2.281 ( -0.718 0.000 6.411) 6.451 2.553 ( -5.205 0.000 4.804) 7.083 2.704 ( 1.433 0.000 -0.321) 1.469 3.004 ( -14.483 0.000 -8.961) 17.031 3.074 ( -13.062 0.000 -6.635) 14.650 3.211 ( -6.448 0.000 2.065) 6.771 3.509 ( -0.936 0.000 -0.647) 1.138 3.666 ( 8.629 0.000 -1.432) 8.747 3.749 ( 5.308 0.000 17.173) 17.975 3.803 ( 5.517 0.000 1.573) 5.737 3.906 ( 7.113 0.000 -7.322) 10.208 4.542 ( -3.461 0.000 2.525) 4.284 4.726 ( 3.798 0.000 -3.843) 5.404 4.844 ( 2.688 0.000 0.879) 2.828 4.928 ( 6.829 0.000 -2.044) 7.128 5.095 ( -3.345 0.000 2.125) 3.963 5.274 ( 3.119 0.000 -0.347) 3.139 5.666 ( -0.441 0.000 2.224) 2.267 5.717 ( 2.285 0.000 -2.322) 3.258 5.971 ( -0.129 0.000 -1.192) 1.199 5.972 ( 1.846 0.000 5.772) 6.059 6.222 ( -1.010 0.000 -6.166) 6.248 6.343 ( 2.666 0.000 0.782) 2.778 6.947 ( -6.204 0.000 -1.746) 6.445 7.161 ( 3.384 0.000 -0.747) 3.465 7.253 ( -5.519 0.000 1.508) 5.721 7.360 ( 0.027 0.000 -5.496) 5.496 7.437 ( -5.874 0.000 -7.241) 9.324 7.630 ( 8.475 0.000 15.007) 17.235 7.882 ( -5.848 0.000 -1.447) 6.025 8.125 ( 7.313 0.000 4.844) 8.772 8.765 ( -4.704 0.000 -7.992) 9.273 8.850 ( 0.708 0.000 2.228) 2.338 8.982 ( -4.136 0.000 -6.655) 7.835 9.104 ( 3.864 0.000 4.993) 6.313 9.157 ( 1.471 0.000 0.775) 1.662 9.224 ( 4.861 0.000 2.487) 5.460 10.275 ( -0.691 0.000 -0.683) 0.971 10.293 ( 0.245 0.000 0.420) 0.486 15.775 ( -4.358 0.000 -4.569) 6.314 15.842 ( 0.608 0.000 6.505) 6.533 15.912 ( -7.614 0.000 -8.666) 11.536 16.185 ( 8.064 0.000 11.432) 13.990 16.361 ( -0.472 0.000 5.432) 5.453 16.517 ( 2.348 0.000 -3.290) 4.042 16.708 ( -1.519 0.000 2.880) 3.256 16.867 ( 4.133 0.000 -2.581) 4.873 17.532 ( -7.314 0.000 -14.147) 15.926 17.713 ( 7.269 0.000 10.676) 12.916 17.883 ( -8.771 0.000 -9.863) 13.199 18.194 ( 4.717 0.000 3.529) 5.891 18.242 ( -1.982 0.000 2.020) 2.830 18.384 ( 8.044 0.000 -4.574) 9.254 18.684 ( -1.389 0.000 15.495) 15.557 18.868 ( 3.057 0.000 -10.287) 10.732 ======================= Grid point 196 (88/130) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -11.688 0.000 5.263) 12.819 0.837 ( -17.454 0.000 -3.580) 17.818 0.960 ( -7.964 0.000 -3.288) 8.616 1.312 ( -7.428 0.000 3.564) 8.238 1.716 ( -9.280 0.000 8.130) 12.338 1.769 ( 4.907 0.000 4.767) 6.841 1.857 ( -4.383 0.000 -3.127) 5.384 1.914 ( 3.213 0.000 1.209) 3.433 1.920 ( -1.462 0.000 -1.734) 2.268 2.102 ( -1.734 0.000 -13.120) 13.234 2.140 ( -1.998 0.000 -2.586) 3.268 2.285 ( -2.605 0.000 3.731) 4.550 2.447 ( -9.862 0.000 3.682) 10.527 2.561 ( -12.224 0.000 -4.147) 12.909 2.749 ( -12.852 0.000 -7.042) 14.655 2.904 ( 6.231 0.000 1.605) 6.435 3.134 ( -4.994 0.000 4.632) 6.811 3.529 ( 2.285 0.000 -4.042) 4.643 3.692 ( -1.545 0.000 -6.539) 6.719 3.784 ( -3.232 0.000 0.818) 3.334 3.937 ( 6.563 0.000 2.551) 7.041 4.063 ( 3.696 0.000 7.462) 8.327 4.529 ( 2.331 0.000 -1.847) 2.974 4.818 ( 7.832 0.000 -7.151) 10.606 4.918 ( 3.907 0.000 4.901) 6.268 5.056 ( 6.961 0.000 4.617) 8.353 5.082 ( 0.460 0.000 0.614) 0.767 5.314 ( 1.278 0.000 1.840) 2.241 5.655 ( -3.755 0.000 3.395) 5.063 5.742 ( 2.530 0.000 -3.034) 3.951 5.972 ( 2.236 0.000 -2.280) 3.193 6.050 ( 2.628 0.000 4.867) 5.532 6.203 ( 3.841 0.000 -7.917) 8.799 6.377 ( -0.123 0.000 2.789) 2.792 6.841 ( -3.038 0.000 -2.946) 4.231 7.101 ( -8.823 0.000 -1.859) 9.017 7.153 ( -1.591 0.000 -3.441) 3.791 7.325 ( 0.093 0.000 -5.303) 5.304 7.360 ( -2.570 0.000 1.914) 3.204 7.753 ( -4.224 0.000 3.031) 5.199 7.957 ( 11.017 0.000 14.324) 18.071 8.290 ( 6.546 0.000 5.678) 8.665 8.619 ( -5.096 0.000 -8.399) 9.824 8.722 ( -7.989 0.000 -11.119) 13.691 8.959 ( 0.787 0.000 0.525) 0.946 9.179 ( 2.810 0.000 0.922) 2.957 9.218 ( 3.636 0.000 1.797) 4.056 9.344 ( 5.443 0.000 3.112) 6.270 10.261 ( -0.285 0.000 -0.758) 0.810 10.294 ( -0.351 0.000 0.046) 0.354 15.685 ( -4.074 0.000 -0.135) 4.076 15.768 ( -2.370 0.000 -7.003) 7.394 15.845 ( -4.430 0.000 5.130) 6.778 16.410 ( 6.189 0.000 15.847) 17.013 16.439 ( 4.733 0.000 4.697) 6.668 16.504 ( -1.780 0.000 -1.095) 2.090 16.752 ( 3.688 0.000 3.419) 5.029 16.909 ( 1.809 0.000 -3.566) 3.998 17.328 ( -4.676 0.000 -11.735) 12.632 17.647 ( -7.694 0.000 -14.052) 16.021 17.861 ( 3.321 0.000 4.038) 5.228 18.216 ( -2.070 0.000 1.908) 2.815 18.225 ( 0.432 0.000 -0.950) 1.044 18.457 ( 0.325 0.000 0.266) 0.420 18.844 ( 8.120 0.000 10.816) 13.525 18.892 ( 5.515 0.000 -6.400) 8.449 ======================= Grid point 197 (89/130) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -8.216 0.000 9.191) 12.327 0.550 ( -10.943 0.000 6.302) 12.628 0.842 ( -5.055 0.000 1.827) 5.375 1.201 ( -9.831 0.000 7.418) 12.316 1.554 ( -10.442 0.000 3.861) 11.133 1.595 ( -13.663 0.000 -11.145) 17.632 1.812 ( -7.159 0.000 -2.253) 7.506 1.838 ( -1.166 0.000 -1.945) 2.268 1.927 ( -4.922 0.000 -11.195) 12.229 1.984 ( 1.062 0.000 -6.579) 6.665 2.168 ( -0.532 0.000 3.510) 3.550 2.223 ( -5.490 0.000 5.620) 7.856 2.295 ( -6.824 0.000 8.950) 11.254 2.448 ( 1.264 0.000 -3.863) 4.065 2.634 ( 2.662 0.000 0.400) 2.692 3.057 ( 0.785 0.000 2.611) 2.726 3.121 ( 3.403 0.000 14.794) 15.180 3.476 ( -4.217 0.000 -8.687) 9.656 3.602 ( -0.680 0.000 -6.873) 6.906 3.710 ( -5.741 0.000 3.250) 6.597 4.058 ( -5.149 0.000 -2.560) 5.750 4.068 ( 5.931 0.000 -0.871) 5.995 4.601 ( 7.272 0.000 -4.105) 8.351 4.880 ( 5.772 0.000 -6.505) 8.697 5.057 ( 4.548 0.000 11.281) 12.163 5.093 ( 1.104 0.000 -2.123) 2.393 5.191 ( 1.592 0.000 4.945) 5.195 5.356 ( -0.144 0.000 4.163) 4.166 5.579 ( -4.283 0.000 2.777) 5.105 5.774 ( 3.097 0.000 -2.628) 4.062 6.041 ( 6.892 0.000 -3.139) 7.573 6.116 ( 1.271 0.000 3.697) 3.909 6.236 ( 4.929 0.000 -7.671) 9.119 6.379 ( -2.074 0.000 4.563) 5.013 6.820 ( 1.289 0.000 1.124) 1.710 6.962 ( -5.259 0.000 1.902) 5.592 7.091 ( -2.127 0.000 -4.234) 4.738 7.294 ( -0.221 0.000 -3.336) 3.344 7.339 ( -1.809 0.000 3.716) 4.133 7.700 ( -2.910 0.000 2.693) 3.965 8.225 ( 6.121 0.000 7.232) 9.475 8.364 ( -1.939 0.000 -5.706) 6.026 8.512 ( -4.547 0.000 -7.246) 8.554 8.540 ( 1.723 0.000 3.507) 3.907 8.969 ( 0.509 0.000 -1.245) 1.345 9.224 ( 2.166 0.000 -1.373) 2.565 9.292 ( 2.940 0.000 1.798) 3.446 9.438 ( 3.463 0.000 -0.216) 3.469 10.252 ( -0.263 0.000 -1.183) 1.212 10.282 ( -0.788 0.000 -0.598) 0.989 15.621 ( -2.901 0.000 0.498) 2.944 15.735 ( 1.986 0.000 -3.180) 3.749 15.767 ( -6.303 0.000 2.625) 6.827 16.458 ( -2.675 0.000 0.336) 2.696 16.509 ( -0.644 0.000 -1.715) 1.832 16.568 ( -0.064 0.000 4.111) 4.111 16.859 ( 4.352 0.000 5.107) 6.710 16.869 ( -1.385 0.000 -1.316) 1.911 17.259 ( 2.879 0.000 -1.396) 3.200 17.516 ( 1.381 0.000 -0.652) 1.527 17.885 ( -1.021 0.000 -1.488) 1.804 18.197 ( -1.125 0.000 1.506) 1.880 18.232 ( 1.585 0.000 -2.412) 2.886 18.419 ( -5.784 0.000 4.300) 7.207 18.976 ( 7.199 0.000 -4.416) 8.446 19.046 ( 8.519 0.000 1.952) 8.740 ======================= Grid point 198 (90/130) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -2.639 0.000 12.112) 12.396 0.577 ( 1.872 0.000 19.282) 19.373 0.762 ( -7.493 0.000 7.336) 10.486 1.084 ( -6.112 0.000 6.528) 8.943 1.277 ( -10.604 0.000 -14.133) 17.669 1.457 ( -2.289 0.000 2.663) 3.512 1.681 ( -7.517 0.000 -17.064) 18.646 1.710 ( -1.978 0.000 1.627) 2.561 1.771 ( -3.252 0.000 -8.816) 9.396 1.959 ( -2.872 0.000 -3.067) 4.202 2.156 ( -3.732 0.000 10.945) 11.563 2.210 ( 0.353 0.000 6.103) 6.113 2.347 ( 3.655 0.000 11.249) 11.828 2.476 ( 4.069 0.000 -4.254) 5.887 2.750 ( 4.560 0.000 0.862) 4.641 3.004 ( -4.852 0.000 -0.879) 4.931 3.330 ( 3.705 0.000 15.292) 15.734 3.372 ( 1.110 0.000 -4.792) 4.919 3.576 ( 2.053 0.000 -6.271) 6.599 3.635 ( -6.559 0.000 6.977) 9.576 3.917 ( -4.210 0.000 -6.236) 7.524 4.106 ( 1.789 0.000 -6.740) 6.974 4.714 ( 6.387 0.000 -0.818) 6.440 5.013 ( 10.955 0.000 -2.478) 11.232 5.098 ( 3.466 0.000 -5.629) 6.611 5.156 ( -8.610 0.000 7.098) 11.159 5.189 ( 0.873 0.000 10.294) 10.331 5.261 ( -7.197 0.000 -4.966) 8.744 5.633 ( 4.968 0.000 5.759) 7.606 5.814 ( 2.496 0.000 -1.863) 3.114 6.137 ( -1.967 0.000 4.663) 5.061 6.166 ( 8.653 0.000 -1.672) 8.813 6.273 ( 4.632 0.000 -7.958) 9.208 6.360 ( -3.740 0.000 4.603) 5.931 6.837 ( -1.826 0.000 4.984) 5.308 7.010 ( 6.634 0.000 6.697) 9.426 7.024 ( -1.827 0.000 -5.061) 5.380 7.275 ( -0.068 0.000 -2.017) 2.018 7.350 ( 0.148 0.000 5.615) 5.617 7.697 ( 0.278 0.000 4.083) 4.092 8.099 ( -10.228 0.000 -13.508) 16.944 8.221 ( -5.810 0.000 -10.078) 11.633 8.636 ( 9.921 0.000 10.208) 14.235 8.654 ( 4.428 0.000 7.925) 9.079 8.960 ( 0.050 0.000 -2.974) 2.975 9.220 ( -1.427 0.000 -4.931) 5.133 9.342 ( 1.235 0.000 1.774) 2.162 9.447 ( -1.146 0.000 -3.424) 3.611 10.230 ( -1.234 0.000 -0.792) 1.466 10.260 ( -0.834 0.000 -1.241) 1.495 15.593 ( -0.384 0.000 0.132) 0.406 15.668 ( -5.391 0.000 0.678) 5.433 15.785 ( 4.232 0.000 0.526) 4.264 16.281 ( -14.866 0.000 -11.058) 18.528 16.418 ( -2.188 0.000 1.436) 2.617 16.507 ( -3.309 0.000 -3.379) 4.730 16.953 ( 1.473 0.000 6.110) 6.286 16.963 ( 8.102 0.000 2.464) 8.469 17.396 ( 7.797 0.000 6.211) 9.968 17.699 ( 13.012 0.000 13.354) 18.645 17.830 ( -2.139 0.000 -5.237) 5.657 18.197 ( 0.056 0.000 1.286) 1.288 18.242 ( 0.415 0.000 -1.669) 1.719 18.308 ( -8.317 0.000 1.854) 8.521 19.067 ( 4.354 0.000 -2.830) 5.193 19.159 ( 4.169 0.000 -3.122) 5.209 ======================= Grid point 199 (91/130) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 1.263 7.780 12.173) 14.502 0.753 ( 0.891 1.220 15.465) 15.538 0.829 ( -0.114 9.600 1.175) 9.672 1.068 ( 1.646 -0.671 -12.515) 12.641 1.133 ( 2.910 2.520 6.836) 7.845 1.412 ( -3.071 -0.092 -10.291) 10.740 1.530 ( -2.555 3.521 0.526) 4.382 1.681 ( -1.132 1.012 -8.164) 8.304 1.779 ( 5.356 -0.335 2.462) 5.904 1.843 ( -5.711 -0.098 -3.808) 6.865 2.174 ( -1.011 -0.275 9.277) 9.336 2.269 ( 4.175 -1.887 1.351) 4.777 2.517 ( 5.122 1.641 7.498) 9.228 2.565 ( 3.744 1.615 -0.508) 4.108 2.698 ( -2.137 -4.091 -0.326) 4.627 2.829 ( -4.322 -4.432 -8.124) 10.213 3.399 ( -1.722 -1.544 8.505) 8.814 3.486 ( 0.190 -0.184 -0.847) 0.887 3.522 ( -2.790 1.355 -1.932) 3.654 3.563 ( 3.128 -0.037 -4.799) 5.729 3.937 ( 1.853 2.391 6.743) 7.391 4.087 ( 0.523 0.032 -6.745) 6.765 4.835 ( 0.827 1.443 6.576) 6.783 4.959 ( -8.958 2.829 -0.539) 9.410 5.051 ( -3.053 -0.992 -1.829) 3.694 5.142 ( -0.932 0.007 -0.559) 1.087 5.203 ( 2.239 -3.039 -1.535) 4.075 5.282 ( 10.847 -0.987 -5.411) 12.162 5.750 ( 2.003 -0.185 4.662) 5.077 5.834 ( -0.259 0.887 -3.131) 3.265 6.142 ( -2.601 1.952 6.613) 7.369 6.246 ( -1.405 -0.702 -1.025) 1.876 6.303 ( -1.820 0.956 0.405) 2.095 6.354 ( 4.597 1.135 -5.385) 7.170 6.867 ( 0.104 1.036 5.827) 5.919 6.980 ( -0.177 1.057 -5.580) 5.682 7.163 ( 3.803 -0.466 4.957) 6.265 7.252 ( -0.143 -0.647 -3.427) 3.490 7.442 ( 5.106 -1.386 10.653) 11.895 7.663 ( -6.710 -2.001 -9.484) 11.789 7.933 ( 2.897 2.785 3.682) 5.451 8.091 ( -7.282 4.619 -10.133) 13.306 8.753 ( 4.731 -2.108 7.087) 8.778 8.836 ( 0.352 -0.455 0.203) 0.610 8.977 ( 5.120 1.178 1.491) 5.462 9.073 ( -7.742 -0.301 -6.318) 9.998 9.339 ( -1.940 -2.140 2.207) 3.635 9.374 ( 0.584 -2.102 -1.000) 2.400 10.254 ( 0.405 3.350 1.520) 3.701 10.301 ( -0.742 5.163 -3.535) 6.301 15.599 ( -1.772 -0.091 0.750) 1.926 15.611 ( 1.413 0.263 -0.245) 1.458 15.904 ( 5.683 0.804 3.685) 6.821 16.002 ( -7.720 -0.081 -5.329) 9.381 16.401 ( -1.184 -0.218 2.451) 2.731 16.443 ( -1.161 0.316 -2.028) 2.358 16.948 ( -1.491 -3.146 4.237) 5.483 17.053 ( 6.091 -4.866 -5.810) 9.723 17.556 ( 4.853 0.246 10.663) 11.718 17.746 ( -2.958 0.501 -8.099) 8.637 18.036 ( 14.500 -2.308 6.873) 16.212 18.114 ( -8.247 -1.140 -1.212) 8.413 18.204 ( -0.634 -0.388 1.321) 1.516 18.250 ( 0.651 0.273 -3.436) 3.508 18.932 ( -2.902 -12.121 8.962) 15.351 19.075 ( -1.948 -7.406 -6.005) 9.732 ======================= Grid point 200 (92/130) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.304 6.301 2.921) 6.952 0.803 ( 3.036 8.380 -0.394) 8.922 0.976 ( 9.668 1.298 13.427) 16.596 1.044 ( 4.998 1.616 -16.957) 17.752 1.268 ( 1.321 1.432 -13.209) 13.352 1.348 ( 9.630 0.856 12.843) 16.075 1.591 ( 1.859 0.840 4.452) 4.898 1.632 ( 2.447 3.246 -1.287) 4.264 1.751 ( -0.076 0.040 -1.884) 1.886 1.901 ( 4.183 -0.386 2.511) 4.894 2.219 ( 1.215 -1.165 3.378) 3.774 2.359 ( 6.622 -1.200 -4.848) 8.294 2.475 ( -5.161 1.802 -4.493) 7.077 2.558 ( -2.691 2.297 -5.955) 6.927 2.740 ( 0.231 -4.670 -4.256) 6.323 2.838 ( 7.929 -5.491 7.762) 12.380 3.359 ( -4.088 3.090 1.372) 5.304 3.413 ( -3.304 -0.617 8.645) 9.275 3.536 ( 1.646 -2.225 -5.844) 6.466 3.701 ( 10.475 0.201 -0.120) 10.477 3.963 ( -7.423 0.531 -7.905) 10.857 3.987 ( -0.955 1.924 4.354) 4.855 4.729 ( -10.350 3.282 1.654) 10.983 4.899 ( -4.716 0.479 5.127) 6.983 5.028 ( 0.163 0.977 2.323) 2.526 5.127 ( 1.160 0.216 4.797) 4.941 5.287 ( 6.847 -5.524 -8.990) 12.578 5.421 ( 9.449 1.208 -7.802) 12.313 5.739 ( -5.812 -1.502 -1.079) 6.099 5.795 ( -0.972 1.573 -0.890) 2.052 6.087 ( -9.266 2.226 7.185) 11.934 6.170 ( -4.595 0.952 1.181) 4.839 6.238 ( -1.348 0.556 -4.199) 4.445 6.429 ( 3.261 0.042 -1.459) 3.573 6.923 ( 1.833 0.780 5.302) 5.664 6.956 ( 1.446 1.308 -5.140) 5.497 7.156 ( -5.079 -1.944 -5.881) 8.010 7.236 ( 0.907 0.544 0.072) 1.060 7.478 ( -4.116 -0.145 -7.405) 8.474 7.657 ( 7.876 -3.379 11.434) 14.290 7.937 ( -2.713 1.696 -5.252) 6.150 8.090 ( 7.061 5.677 10.524) 13.886 8.743 ( -6.207 -3.138 -6.793) 9.722 8.834 ( -0.710 0.555 -1.015) 1.357 8.915 ( -3.598 1.213 -1.672) 4.149 9.111 ( 4.859 -0.728 4.644) 6.761 9.301 ( -3.040 -3.287 1.784) 4.819 9.401 ( 1.378 0.218 1.043) 1.742 10.234 ( -1.633 2.068 -0.184) 2.642 10.305 ( 1.220 4.232 0.055) 4.405 15.591 ( 0.434 0.606 0.675) 1.006 15.663 ( 4.229 -0.624 0.035) 4.275 15.863 ( -4.165 1.474 -4.158) 6.067 16.085 ( 10.066 -0.632 7.396) 12.508 16.402 ( -0.244 -0.977 2.608) 2.796 16.455 ( 2.113 1.109 1.667) 2.911 16.926 ( -2.665 -2.467 1.784) 4.046 17.060 ( -0.113 -5.486 -8.684) 10.272 17.581 ( -8.200 0.843 -11.373) 14.046 17.698 ( 3.464 0.656 8.114) 8.847 17.914 ( -8.578 -0.017 -7.390) 11.322 18.190 ( -0.926 -0.718 2.069) 2.378 18.219 ( 0.916 -1.280 -1.920) 2.482 18.329 ( 9.465 -0.872 -0.964) 9.554 18.952 ( -2.918 -9.213 8.435) 12.828 18.970 ( -4.821 -7.637 -0.949) 9.081 ======================= Grid point 201 (93/130) ======================= q-point: ( 0.20 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 4.568 5.868 -5.850) 9.462 0.851 ( 2.200 8.326 -8.232) 11.913 0.991 ( 2.216 4.755 -9.482) 10.837 1.200 ( 8.102 -3.691 2.006) 9.126 1.388 ( 11.715 3.330 9.981) 15.746 1.575 ( 9.440 -1.216 2.071) 9.741 1.695 ( 8.475 3.016 7.539) 11.737 1.767 ( 6.051 1.801 6.066) 8.755 1.812 ( 6.820 -0.216 -0.526) 6.844 1.942 ( -1.017 0.727 1.934) 2.302 2.268 ( 3.581 -2.054 -1.452) 4.376 2.346 ( -3.448 -0.927 -7.009) 7.866 2.440 ( 4.414 2.926 -5.782) 7.840 2.504 ( 3.535 1.922 -6.817) 7.916 2.661 ( -4.352 -2.728 -5.579) 7.583 2.995 ( 4.755 -6.376 2.657) 8.386 3.360 ( -0.458 3.881 5.557) 6.794 3.448 ( 1.232 0.742 9.185) 9.297 3.472 ( -4.242 1.603 -13.578) 14.315 3.746 ( -3.488 -0.254 -1.064) 3.655 3.918 ( 6.384 -2.647 4.219) 8.097 4.016 ( 0.886 -0.109 3.660) 3.767 4.600 ( -4.308 4.574 1.339) 6.424 4.796 ( -7.631 0.200 2.630) 8.074 5.061 ( 1.503 0.373 0.844) 1.763 5.188 ( -0.446 -0.033 2.254) 2.298 5.268 ( -2.177 -3.705 -9.049) 10.018 5.489 ( -1.544 1.211 -6.977) 7.248 5.627 ( 0.146 -0.347 -0.702) 0.796 5.771 ( -1.672 2.424 0.842) 3.063 5.962 ( -7.185 0.521 4.340) 8.410 6.101 ( -3.969 -0.512 1.281) 4.202 6.196 ( -1.946 1.686 -0.492) 2.622 6.454 ( 0.842 0.792 -1.555) 1.937 6.908 ( -3.760 1.241 -6.187) 7.345 7.001 ( 2.007 0.723 5.366) 5.774 7.056 ( 2.762 -0.796 -5.846) 6.515 7.249 ( -0.642 1.643 2.444) 3.014 7.416 ( 0.028 0.469 -3.577) 3.608 7.769 ( 2.458 0.041 -2.843) 3.758 8.001 ( 5.958 -6.176 10.298) 13.405 8.296 ( 7.171 6.986 11.405) 15.176 8.557 ( -7.721 -3.509 -8.836) 12.247 8.713 ( -5.648 3.881 -8.085) 10.599 8.928 ( 0.972 -0.475 2.266) 2.511 9.180 ( 0.550 -1.326 1.636) 2.176 9.256 ( -3.106 -3.778 1.506) 5.118 9.420 ( -0.952 1.554 2.239) 2.887 10.218 ( -0.032 -0.256 -0.148) 0.297 10.320 ( 0.040 3.123 0.704) 3.202 15.621 ( 2.239 0.825 0.998) 2.586 15.725 ( 0.967 -1.444 -2.699) 3.210 15.825 ( 4.044 2.752 -0.494) 4.916 16.351 ( 11.439 -2.164 9.565) 15.067 16.427 ( 0.515 -0.539 3.569) 3.646 16.519 ( 2.594 0.603 3.278) 4.224 16.887 ( -1.820 -1.626 -0.622) 2.518 16.960 ( -4.218 -4.179 -7.453) 9.529 17.334 ( -10.056 0.578 -8.856) 13.412 17.623 ( -9.822 -2.809 -10.911) 14.947 17.858 ( 2.756 3.663 4.287) 6.276 18.186 ( -0.329 -0.567 1.417) 1.561 18.227 ( 1.764 -0.729 -2.028) 2.785 18.431 ( 1.554 -1.751 1.228) 2.644 18.838 ( -7.190 -5.636 1.977) 9.347 18.992 ( 0.631 -6.179 2.038) 6.537 ======================= Grid point 202 (94/130) ======================= q-point: ( 0.30 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 9.565 6.512 -3.592) 12.116 0.861 ( 8.247 3.632 -7.512) 11.731 1.016 ( 4.221 6.719 -2.432) 8.299 1.358 ( 7.793 -2.496 0.103) 8.183 1.671 ( 8.719 0.590 11.066) 14.101 1.743 ( 6.870 -0.449 4.819) 8.404 1.842 ( -2.618 3.148 3.678) 5.504 1.872 ( 1.403 0.302 3.398) 3.689 1.902 ( 1.355 -0.209 -0.027) 1.371 1.952 ( 4.779 1.260 0.857) 5.016 2.239 ( 2.085 -2.204 -10.002) 10.452 2.385 ( 5.009 1.030 -2.117) 5.535 2.494 ( 7.310 2.725 2.344) 8.146 2.552 ( 6.758 2.321 -5.970) 9.312 2.665 ( 8.003 -1.460 -0.161) 8.136 2.990 ( -5.638 -2.867 -5.471) 8.363 3.266 ( -2.805 0.937 -9.417) 9.870 3.407 ( -1.807 1.641 8.623) 8.962 3.554 ( 2.559 1.801 8.284) 8.855 3.733 ( -1.780 0.277 4.576) 4.918 3.976 ( -0.496 -3.721 -3.225) 4.949 4.089 ( 2.813 -0.433 3.551) 4.550 4.606 ( 4.741 3.721 -1.532) 6.218 4.687 ( -6.209 0.972 3.225) 7.064 5.030 ( -8.790 -0.315 -6.979) 11.228 5.080 ( -1.775 -3.397 -4.236) 5.713 5.181 ( -4.050 0.679 -2.684) 4.906 5.359 ( -6.173 0.609 -1.498) 6.382 5.666 ( 0.183 0.864 2.286) 2.450 5.741 ( -2.975 3.121 1.950) 4.732 5.913 ( -0.794 -1.706 1.655) 2.506 6.047 ( -2.045 -2.474 -0.858) 3.322 6.169 ( -0.374 3.416 0.628) 3.493 6.442 ( -0.940 1.224 -1.881) 2.433 6.826 ( -0.855 2.509 -0.598) 2.717 7.074 ( 2.100 0.628 4.952) 5.416 7.133 ( 7.054 -0.204 -2.765) 7.579 7.247 ( -1.717 2.278 4.031) 4.939 7.411 ( 1.342 -0.161 -2.785) 3.096 7.804 ( 3.849 0.312 -2.807) 4.774 8.112 ( -2.239 -7.684 -0.938) 8.058 8.372 ( -1.345 0.639 -0.967) 1.775 8.486 ( -0.810 1.950 1.500) 2.590 8.602 ( 1.711 5.024 3.177) 6.185 8.953 ( 0.804 -0.771 0.359) 1.170 9.167 ( -2.033 -1.106 0.497) 2.367 9.208 ( -2.861 -2.955 0.014) 4.113 9.387 ( -3.513 1.345 0.122) 3.764 10.227 ( 0.933 -1.286 0.064) 1.590 10.318 ( -0.539 1.608 0.320) 1.726 15.674 ( 0.940 0.654 3.070) 3.277 15.720 ( 3.392 0.127 -3.069) 4.576 15.940 ( 7.201 1.281 -2.518) 7.735 16.448 ( -1.081 -0.069 4.140) 4.279 16.499 ( -0.887 0.354 -0.005) 0.955 16.575 ( 0.623 -3.199 -1.433) 3.561 16.832 ( -3.090 -2.702 -5.950) 7.228 16.874 ( -0.636 -0.624 -1.333) 1.603 17.177 ( -2.961 0.235 2.257) 3.730 17.436 ( -2.730 -2.304 1.125) 3.745 17.910 ( 0.047 2.969 2.091) 3.632 18.203 ( 1.390 -0.426 0.425) 1.515 18.254 ( 2.486 -0.844 -2.279) 3.476 18.407 ( -5.617 -1.485 3.377) 6.721 18.736 ( -6.033 -4.277 3.877) 8.350 18.994 ( 1.236 -3.962 -7.063) 8.192 ======================= Grid point 203 (95/130) ======================= q-point: ( 0.40 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 8.869 5.252 -3.422) 10.861 1.094 ( 9.498 4.101 0.336) 10.351 1.130 ( 11.389 3.219 4.715) 12.740 1.412 ( -1.676 0.214 -2.020) 2.634 1.704 ( -10.216 -2.209 0.606) 10.470 1.758 ( -2.394 2.076 -1.040) 3.335 1.817 ( -0.502 -0.776 -4.344) 4.441 1.926 ( 4.439 -0.239 8.288) 9.405 1.970 ( 3.207 2.796 4.400) 6.120 2.048 ( 2.987 2.885 4.243) 5.937 2.239 ( 3.750 -2.252 -9.133) 10.126 2.416 ( 2.328 2.844 -4.216) 5.593 2.636 ( 4.406 -0.809 -4.521) 6.365 2.760 ( 4.119 1.197 -0.816) 4.367 2.793 ( 5.799 -1.555 3.988) 7.207 2.956 ( 15.094 2.901 8.498) 17.563 3.244 ( 2.952 -1.175 -2.540) 4.068 3.412 ( -3.339 1.361 8.248) 9.002 3.589 ( -4.837 -0.827 4.697) 6.793 3.707 ( -5.995 1.875 8.372) 10.467 3.915 ( -0.627 -2.814 -9.511) 9.938 4.076 ( -3.367 0.191 -8.228) 8.892 4.613 ( -4.287 0.903 5.922) 7.366 4.705 ( 7.169 2.730 -8.684) 11.587 4.848 ( -4.773 -1.238 -1.438) 5.136 4.976 ( -6.397 0.289 -4.933) 8.084 5.130 ( 0.809 -0.994 -1.603) 2.052 5.257 ( -5.317 0.588 1.141) 5.470 5.666 ( -1.289 0.568 2.946) 3.266 5.705 ( -1.652 1.861 1.180) 2.754 5.905 ( -1.879 -1.468 2.993) 3.826 6.009 ( -1.426 -2.732 -2.259) 3.821 6.210 ( 4.415 3.241 -0.275) 5.484 6.396 ( -2.466 1.728 -2.371) 3.832 6.884 ( 5.100 2.783 5.418) 7.945 7.119 ( -1.066 0.713 3.446) 3.677 7.241 ( 1.013 0.880 6.469) 6.606 7.263 ( 5.025 0.785 -0.750) 5.141 7.421 ( 1.371 -0.397 -2.174) 2.600 7.867 ( 2.801 -0.031 -3.084) 4.166 7.923 ( -7.486 -3.901 -11.180) 14.009 8.277 ( -7.821 4.582 -7.436) 11.724 8.541 ( 5.506 -3.795 10.007) 12.036 8.766 ( 6.453 3.452 9.780) 12.215 8.956 ( -0.134 -0.968 -1.519) 1.806 9.133 ( -1.823 -0.708 0.350) 1.986 9.154 ( -2.361 -1.904 -0.883) 3.159 9.301 ( -4.582 0.703 -3.206) 5.637 10.249 ( 1.294 -1.213 0.235) 1.789 10.306 ( -0.885 0.268 -0.173) 0.941 15.703 ( 1.128 0.653 3.611) 3.839 15.815 ( 6.746 -0.343 0.502) 6.774 16.000 ( 2.059 1.392 -7.494) 7.896 16.395 ( -8.410 -0.884 -8.060) 11.683 16.427 ( -4.244 -0.247 4.596) 6.261 16.484 ( -1.868 -0.525 -7.300) 7.554 16.775 ( 0.995 -1.734 -4.637) 5.050 16.822 ( -4.073 -0.998 -0.528) 4.227 17.263 ( 5.679 0.480 12.619) 13.846 17.590 ( 10.580 -2.764 14.728) 18.343 17.883 ( -2.680 2.391 -2.733) 4.513 18.225 ( -0.260 -0.668 -1.885) 2.017 18.262 ( -4.332 -1.721 3.037) 5.564 18.307 ( -1.829 0.267 -1.148) 2.176 18.671 ( -4.510 -3.382 5.420) 7.820 18.947 ( 0.911 -3.113 -12.709) 13.116 ======================= Grid point 204 (96/130) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 5.369 5.939 0.147) 8.007 1.126 ( -7.251 5.655 -2.165) 9.447 1.318 ( 8.010 -0.017 3.769) 8.852 1.412 ( -6.836 -3.705 -2.528) 8.176 1.543 ( 1.489 0.760 7.183) 7.375 1.672 ( -2.233 2.159 -5.256) 6.105 1.851 ( 2.007 0.746 1.259) 2.483 1.932 ( -3.578 3.587 -5.396) 7.402 2.007 ( -2.243 -0.097 8.445) 8.739 2.164 ( 5.334 0.902 -0.716) 5.457 2.254 ( 1.501 0.067 1.335) 2.010 2.407 ( -0.520 2.098 -7.337) 7.648 2.606 ( -5.028 -0.058 2.122) 5.458 2.684 ( 1.814 0.181 -5.048) 5.367 3.122 ( 10.702 -1.640 5.667) 12.220 3.171 ( -1.815 -0.183 0.848) 2.012 3.358 ( 10.223 -2.111 3.917) 11.149 3.412 ( -13.745 -1.408 -1.903) 13.947 3.495 ( 7.263 2.281 14.711) 16.564 3.637 ( -6.175 1.558 7.517) 9.852 3.835 ( -1.927 -0.628 -10.940) 11.126 3.923 ( -1.433 1.387 -12.352) 12.512 4.600 ( -2.231 1.866 5.331) 6.073 4.732 ( 2.437 0.591 -6.562) 7.025 4.833 ( 0.261 0.094 -0.670) 0.725 4.859 ( -0.332 1.492 -4.049) 4.328 5.148 ( -3.301 -1.364 3.451) 4.967 5.203 ( 2.792 -0.110 -2.012) 3.443 5.670 ( -0.293 0.643 2.325) 2.430 5.701 ( 1.061 1.001 -0.502) 1.542 5.902 ( -0.896 -1.682 4.494) 4.881 5.972 ( -0.753 -1.864 -1.959) 2.807 6.293 ( 3.844 2.172 -0.080) 4.416 6.328 ( -2.357 2.458 -3.476) 4.866 7.045 ( 6.543 1.580 5.090) 8.439 7.073 ( -4.205 1.214 1.384) 4.590 7.277 ( -1.148 0.621 6.474) 6.604 7.366 ( 3.881 0.266 -1.442) 4.149 7.445 ( 3.076 -0.550 3.354) 4.584 7.643 ( -8.972 -2.328 -13.821) 16.642 7.990 ( 6.381 1.452 2.854) 7.140 8.076 ( -8.593 3.863 -6.246) 11.303 8.715 ( 5.803 -2.728 9.157) 11.179 8.853 ( -2.017 -1.473 -3.739) 4.497 8.985 ( 4.190 1.083 6.438) 7.757 9.090 ( -2.412 -0.522 -2.702) 3.660 9.143 ( 0.796 -1.144 1.241) 1.866 9.197 ( -2.963 0.725 -4.347) 5.311 10.274 ( 0.880 -0.694 0.509) 1.231 10.285 ( -0.770 -0.610 -0.619) 1.161 15.769 ( 2.527 0.484 5.518) 6.089 15.890 ( -2.071 -0.678 -6.135) 6.511 15.994 ( 5.988 1.166 2.795) 6.710 16.141 ( -10.366 -0.468 -10.641) 14.863 16.378 ( -4.387 -0.042 5.436) 6.986 16.476 ( 3.717 -0.171 -4.352) 5.726 16.746 ( -4.336 -0.794 1.556) 4.675 16.795 ( 3.456 -1.529 -3.019) 4.837 17.491 ( 8.500 0.833 14.483) 16.814 17.735 ( -4.638 -0.170 -9.341) 10.430 17.941 ( 12.342 -1.063 11.424) 16.852 18.076 ( -9.741 -1.319 -2.474) 10.136 18.253 ( -0.688 -0.160 1.930) 2.055 18.315 ( 2.462 -0.508 -3.770) 4.531 18.641 ( -3.942 -2.463 9.023) 10.150 18.875 ( 0.885 -3.328 -13.396) 13.832 ======================= Grid point 205 (97/130) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -12.039 5.710 1.161) 13.374 1.131 ( -7.138 4.371 -2.142) 8.640 1.168 ( -10.125 0.844 0.372) 10.167 1.451 ( -3.471 -2.420 -3.849) 5.720 1.610 ( 5.215 3.609 4.973) 8.059 1.706 ( 5.773 -1.827 2.945) 6.733 1.810 ( -0.956 2.792 0.265) 2.963 1.951 ( 1.646 1.767 1.350) 2.767 1.978 ( -5.421 1.152 5.793) 8.017 2.168 ( 0.789 -1.403 -9.735) 9.867 2.259 ( -4.869 0.363 -1.896) 5.238 2.344 ( -0.399 4.453 -1.257) 4.644 2.541 ( -5.520 -1.081 4.670) 7.311 2.713 ( 2.045 0.807 0.219) 2.210 2.951 ( -15.190 -3.526 -7.990) 17.522 3.117 ( -13.527 1.820 -6.876) 15.283 3.195 ( -4.635 -0.625 2.109) 5.131 3.511 ( -1.156 -0.446 2.475) 2.768 3.618 ( 7.915 -2.054 1.409) 8.298 3.784 ( 6.451 0.687 2.982) 7.140 3.831 ( 4.290 3.235 9.479) 10.897 3.897 ( 6.283 -0.968 -6.782) 9.296 4.575 ( -2.453 3.174 2.161) 4.557 4.740 ( 3.329 1.387 -4.050) 5.423 4.835 ( 1.903 -0.899 0.748) 2.234 4.915 ( 5.143 -0.949 -1.178) 5.360 5.098 ( -1.824 0.114 1.372) 2.286 5.272 ( 3.677 -0.096 -0.385) 3.698 5.682 ( -0.021 1.440 1.765) 2.278 5.731 ( 2.789 1.055 -1.899) 3.536 5.921 ( -0.488 -2.938 3.256) 4.413 5.973 ( 2.084 -1.427 -0.020) 2.526 6.254 ( -1.151 3.009 -4.790) 5.772 6.364 ( 2.461 1.933 0.921) 3.262 6.961 ( -6.088 1.364 -1.249) 6.363 7.171 ( 3.234 1.002 -1.087) 3.556 7.254 ( -5.596 0.077 1.584) 5.816 7.359 ( -0.470 -0.060 -4.141) 4.168 7.442 ( -4.526 0.319 -7.280) 8.578 7.621 ( 8.411 -0.955 13.882) 16.259 7.903 ( -6.485 2.254 -2.907) 7.456 8.146 ( 7.276 2.234 5.876) 9.616 8.733 ( -5.324 -2.903 -8.839) 10.719 8.841 ( 2.202 -1.133 3.850) 4.578 8.991 ( -4.154 0.883 -6.349) 7.639 9.099 ( 3.361 -0.464 4.102) 5.324 9.150 ( 1.060 -0.734 0.238) 1.312 9.228 ( 5.113 0.279 2.823) 5.847 10.256 ( -1.285 -1.258 -0.450) 1.854 10.302 ( 1.237 0.313 0.202) 1.292 15.777 ( -4.249 0.253 -3.959) 5.813 15.845 ( 0.567 0.269 4.171) 4.218 15.916 ( -7.473 0.437 -6.282) 9.772 16.174 ( 7.151 -1.065 11.060) 13.213 16.366 ( 0.025 0.466 4.994) 5.016 16.518 ( 2.726 0.101 -3.396) 4.356 16.699 ( -1.682 -0.854 2.539) 3.163 16.846 ( 3.671 -2.002 -2.132) 4.693 17.535 ( -7.474 0.279 -13.903) 15.787 17.714 ( 5.580 -0.046 8.116) 9.850 17.882 ( -6.775 0.030 -7.545) 10.141 18.177 ( 4.551 -1.559 4.088) 6.313 18.244 ( -1.435 0.112 1.591) 2.146 18.370 ( 7.570 -1.283 -4.322) 8.811 18.659 ( -1.535 -2.384 14.471) 14.746 18.824 ( 2.089 -4.177 -9.351) 10.452 ======================= Grid point 206 (98/130) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -10.287 6.809 5.015) 13.316 0.859 ( -16.333 2.330 -2.616) 16.704 1.025 ( -7.230 5.811 -2.586) 9.629 1.299 ( -8.330 -1.194 2.565) 8.798 1.727 ( -8.378 1.211 5.281) 9.977 1.784 ( 4.607 1.397 5.140) 7.043 1.867 ( 5.124 -1.492 -0.230) 5.342 1.878 ( -7.188 0.705 -2.984) 7.814 1.937 ( -1.857 0.170 -1.159) 2.196 2.121 ( -0.230 1.647 -9.689) 9.831 2.129 ( -3.493 -0.734 -2.892) 4.594 2.329 ( -2.505 4.006 2.236) 5.227 2.442 ( -9.070 -0.480 4.673) 10.215 2.578 ( -10.970 1.226 -4.172) 11.800 2.734 ( -11.745 -0.847 -5.512) 13.001 2.908 ( 3.216 -0.347 0.187) 3.240 3.132 ( -4.212 0.438 4.431) 6.129 3.537 ( 2.245 0.735 -2.962) 3.789 3.674 ( 0.218 -1.762 -2.310) 2.913 3.791 ( -3.666 0.862 -1.853) 4.197 3.918 ( 3.318 -1.656 0.478) 3.739 4.070 ( 5.141 0.313 6.677) 8.433 4.576 ( 2.534 4.330 -0.817) 5.083 4.801 ( 5.670 -1.477 -4.914) 7.647 4.898 ( 3.584 -2.086 2.334) 4.758 5.019 ( 5.372 -1.047 3.845) 6.689 5.125 ( 3.912 1.955 1.398) 4.592 5.321 ( 1.526 0.697 1.930) 2.557 5.667 ( -3.912 1.294 2.423) 4.780 5.774 ( 3.141 2.466 -2.225) 4.571 5.939 ( 2.725 -2.654 -0.620) 3.854 6.035 ( 3.528 -1.890 1.466) 4.262 6.234 ( 2.798 3.052 -6.039) 7.322 6.397 ( -0.099 1.825 2.654) 3.223 6.859 ( -3.152 1.824 -2.156) 4.232 7.108 ( -8.468 0.584 -1.830) 8.684 7.161 ( -1.582 0.812 -3.452) 3.883 7.338 ( 0.375 1.100 -3.101) 3.312 7.363 ( -2.624 0.407 -0.218) 2.664 7.759 ( -4.052 0.738 2.776) 4.966 7.931 ( 9.997 -2.467 11.675) 15.567 8.317 ( 6.417 2.717 6.759) 9.708 8.570 ( -5.457 -3.724 -9.230) 11.350 8.772 ( -6.247 3.560 -8.913) 11.452 8.950 ( 0.713 -0.726 0.333) 1.071 9.166 ( 2.524 -1.111 1.120) 2.977 9.198 ( 3.457 -1.634 0.659) 3.880 9.351 ( 5.248 0.277 3.561) 6.348 10.233 ( -0.876 -1.436 -0.474) 1.748 10.324 ( 1.248 1.710 -0.208) 2.127 15.689 ( -4.023 0.377 -0.190) 4.045 15.768 ( -2.622 0.056 -6.452) 6.964 15.856 ( -4.051 1.162 5.100) 6.616 16.376 ( 5.018 -3.115 14.747) 15.886 16.447 ( 4.472 0.725 4.385) 6.305 16.512 ( -1.181 0.770 -0.864) 1.654 16.736 ( 3.416 -1.595 2.820) 4.708 16.886 ( 1.771 -2.120 -2.554) 3.762 17.326 ( -5.147 -0.066 -11.597) 12.688 17.614 ( -7.059 -2.858 -13.176) 15.218 17.899 ( 2.951 3.322 3.398) 5.594 18.201 ( -1.245 -1.132 1.493) 2.250 18.229 ( -0.288 0.075 -0.605) 0.674 18.442 ( 0.277 -1.507 0.095) 1.536 18.798 ( 7.189 -4.794 4.912) 9.939 18.840 ( 4.218 -4.302 0.363) 6.036 ======================= Grid point 207 (99/130) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -10.104 5.389 5.483) 12.696 0.630 ( -5.889 8.829 9.119) 13.993 0.915 ( -5.007 6.684 2.114) 8.615 1.172 ( -8.890 -2.303 5.221) 10.564 1.554 ( -11.470 0.386 2.497) 11.745 1.606 ( -13.635 0.575 -9.790) 16.796 1.809 ( -5.836 -0.219 -1.811) 6.114 1.851 ( -1.103 1.176 -1.721) 2.358 1.939 ( -3.595 0.838 -7.489) 8.349 2.002 ( 0.187 1.454 -8.808) 8.929 2.159 ( 0.948 -0.278 4.640) 4.744 2.239 ( -7.311 1.616 2.003) 7.751 2.302 ( -8.280 0.539 8.724) 12.040 2.483 ( 1.406 2.814 -3.193) 4.482 2.612 ( 2.480 -1.620 0.429) 2.993 2.998 ( 0.375 -5.155 1.587) 5.407 3.155 ( 2.881 3.226 14.175) 14.820 3.512 ( -1.736 2.678 -6.829) 7.538 3.608 ( -2.300 0.685 -6.638) 7.059 3.717 ( -4.211 0.742 2.232) 4.823 3.959 ( -0.156 -5.982 0.425) 5.999 4.102 ( -0.691 0.424 -3.989) 4.070 4.653 ( 6.807 4.562 -3.196) 8.796 4.870 ( 5.767 -0.976 -4.772) 7.549 5.000 ( 2.976 -5.095 10.331) 11.898 5.104 ( 2.976 1.732 -2.511) 4.262 5.224 ( 2.340 2.025 3.705) 4.828 5.367 ( 0.232 1.052 4.801) 4.920 5.586 ( -4.235 0.920 2.118) 4.823 5.806 ( 2.256 2.255 -2.206) 3.879 6.029 ( 7.495 -1.030 -2.196) 7.878 6.101 ( 2.353 -1.763 1.414) 3.263 6.262 ( 4.175 2.645 -6.126) 7.871 6.399 ( -1.804 1.860 3.958) 4.730 6.836 ( 0.686 1.547 1.430) 2.216 6.972 ( -4.852 1.027 1.065) 5.072 7.100 ( -2.097 0.863 -4.232) 4.802 7.305 ( -1.322 0.668 -2.722) 3.099 7.346 ( -0.978 0.881 3.275) 3.529 7.706 ( -2.594 0.772 2.405) 3.621 8.139 ( 2.616 -6.600 1.520) 7.261 8.401 ( 1.709 1.099 -0.923) 2.231 8.510 ( 0.958 1.230 0.513) 1.642 8.602 ( -2.973 5.135 -3.872) 7.085 8.962 ( 0.634 -0.641 -1.154) 1.464 9.208 ( 1.815 -1.522 -1.047) 2.590 9.265 ( 3.216 -2.201 0.416) 3.919 9.438 ( 2.081 -0.643 0.931) 2.369 10.220 ( -0.119 -0.636 -0.384) 0.752 10.343 ( 1.318 3.560 -1.463) 4.068 15.628 ( -2.745 0.599 0.656) 2.885 15.714 ( -1.557 -1.130 -1.750) 2.601 15.804 ( -2.782 2.626 1.290) 4.037 16.440 ( -3.661 -2.728 1.493) 4.803 16.498 ( -2.692 -1.615 -1.264) 3.384 16.546 ( 1.479 -0.273 2.680) 3.073 16.827 ( 3.262 -2.595 3.333) 5.337 16.867 ( -0.155 -0.589 0.359) 0.707 17.248 ( 2.219 -0.717 -0.743) 2.448 17.494 ( 1.774 -1.978 -0.825) 2.782 17.917 ( -1.426 2.828 -1.219) 3.394 18.187 ( -1.080 -0.922 1.485) 2.055 18.232 ( 1.464 -0.074 -2.505) 2.902 18.404 ( -5.365 -1.470 3.868) 6.775 18.879 ( 3.963 -8.296 -1.785) 9.365 19.000 ( 7.862 -4.430 1.237) 9.109 ======================= Grid point 208 (100/130) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -1.692 7.165 12.201) 14.250 0.660 ( -0.675 6.958 16.330) 17.764 0.839 ( -6.468 7.379 7.592) 12.407 1.074 ( -3.339 -0.520 1.887) 3.870 1.289 ( -11.433 1.034 -10.878) 15.815 1.440 ( -2.587 -0.935 1.586) 3.175 1.708 ( -5.875 1.402 -6.583) 8.934 1.735 ( -3.587 2.870 -7.844) 9.090 1.780 ( -3.215 0.770 -8.859) 9.456 1.958 ( -3.173 -0.093 -3.290) 4.572 2.146 ( -3.114 -0.717 8.655) 9.226 2.218 ( -2.139 0.623 7.418) 7.745 2.329 ( 4.868 -0.924 10.617) 11.716 2.508 ( 3.366 1.931 -3.182) 5.018 2.722 ( 4.301 -1.855 0.465) 4.707 2.943 ( -4.450 -5.571 -2.581) 7.583 3.329 ( 2.607 1.157 12.883) 13.195 3.444 ( 0.251 4.931 -3.444) 6.020 3.558 ( 1.343 -1.683 -5.669) 6.064 3.654 ( -6.263 1.490 4.420) 7.809 3.899 ( -1.535 -1.563 -3.866) 4.443 4.086 ( 2.173 -1.528 -4.889) 5.565 4.753 ( 5.192 3.515 -0.365) 6.280 4.986 ( 8.461 -2.276 -2.028) 8.993 5.082 ( -3.509 -4.388 9.152) 10.739 5.122 ( 5.383 1.553 -6.906) 8.892 5.228 ( -3.439 1.622 3.285) 5.025 5.286 ( -8.739 2.247 -0.990) 9.077 5.641 ( 5.161 0.870 5.712) 7.748 5.832 ( 1.787 1.146 -1.769) 2.763 6.134 ( 0.037 -0.527 2.853) 2.902 6.161 ( 7.953 -0.666 -0.845) 8.026 6.290 ( 2.699 1.687 -5.532) 6.383 6.386 ( -2.155 2.302 2.057) 3.765 6.848 ( -1.845 1.082 5.024) 5.461 7.011 ( 5.282 0.236 4.365) 6.856 7.036 ( -0.720 1.079 -3.947) 4.154 7.272 ( -0.778 -0.419 -1.464) 1.710 7.360 ( -0.155 0.850 4.936) 5.011 7.709 ( 0.480 1.134 3.472) 3.684 8.027 ( -6.473 -5.179 -11.127) 13.875 8.304 ( -7.888 6.230 -10.850) 14.791 8.592 ( 7.206 -2.796 7.739) 10.937 8.713 ( 6.641 3.922 7.937) 11.067 8.957 ( 0.344 -0.275 -2.879) 2.912 9.201 ( -1.524 -1.714 -4.339) 4.908 9.317 ( 2.236 -2.114 0.387) 3.102 9.424 ( -3.157 -2.359 -1.139) 4.103 10.228 ( 1.051 1.616 0.216) 1.940 10.341 ( -0.152 5.289 -3.415) 6.298 15.602 ( -0.499 0.713 0.163) 0.886 15.654 ( -4.185 -1.024 0.590) 4.348 15.812 ( 2.931 2.398 0.470) 3.816 16.244 ( -13.513 -3.346 -8.103) 16.107 16.421 ( -2.372 0.230 0.711) 2.487 16.509 ( -3.123 0.292 -3.666) 4.824 16.910 ( 2.791 -3.405 4.844) 6.546 16.945 ( 5.377 -2.329 2.533) 6.384 17.381 ( 7.290 -1.027 8.340) 11.125 17.667 ( 11.236 -2.554 11.910) 16.572 17.862 ( -1.586 2.540 -3.842) 4.872 18.183 ( -0.532 -1.271 1.363) 1.938 18.236 ( -0.219 -0.582 -1.274) 1.418 18.306 ( -6.585 -0.147 0.905) 6.648 18.924 ( 0.528 -11.505 2.155) 11.717 19.096 ( 3.679 -5.960 -4.579) 8.368 ======================= Grid point 209 (101/130) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.721 2.265 12.799) 13.018 0.827 ( -0.203 7.360 9.141) 11.738 1.045 ( 2.449 4.514 -3.554) 6.246 1.070 ( 0.016 7.477 -6.948) 10.207 1.196 ( 3.006 3.518 6.914) 8.320 1.454 ( -1.564 4.569 -7.925) 9.281 1.596 ( -2.615 2.840 -1.428) 4.116 1.705 ( -0.084 1.249 -6.099) 6.226 1.778 ( 2.168 0.290 1.562) 2.688 1.843 ( -4.341 0.159 -4.350) 6.148 2.165 ( -0.382 -0.680 7.561) 7.602 2.224 ( 2.859 -2.362 2.494) 4.469 2.525 ( 3.773 -5.564 5.120) 8.450 2.569 ( 7.076 2.031 8.092) 10.940 2.632 ( -4.908 -2.969 -7.402) 9.364 2.761 ( -3.319 0.120 -7.032) 7.777 3.347 ( -2.548 -3.551 4.544) 6.304 3.448 ( -0.012 -3.616 -5.759) 6.800 3.552 ( -5.562 2.827 1.553) 6.430 3.612 ( 5.044 3.632 -2.863) 6.843 3.980 ( 3.028 1.586 5.884) 6.805 4.078 ( 0.587 -1.050 -3.184) 3.403 4.856 ( -3.685 0.281 8.485) 9.255 5.023 ( 1.444 -2.043 -4.428) 5.086 5.028 ( 1.588 3.650 1.757) 4.351 5.145 ( -2.424 -0.044 -6.292) 6.743 5.159 ( -8.234 0.250 4.377) 9.328 5.269 ( 11.051 -0.315 -6.680) 12.917 5.750 ( -0.785 0.101 5.590) 5.646 5.847 ( 1.148 0.249 -3.667) 3.850 6.176 ( 1.030 1.250 6.051) 6.264 6.244 ( -1.806 0.497 0.481) 1.934 6.313 ( 1.555 0.213 0.606) 1.682 6.378 ( -1.362 0.951 -5.919) 6.148 6.897 ( -0.034 1.997 5.711) 6.050 7.008 ( 0.015 1.734 -5.449) 5.718 7.149 ( 2.961 -0.982 4.368) 5.368 7.231 ( -0.026 -1.407 -2.978) 3.294 7.409 ( 2.631 -1.668 7.479) 8.102 7.595 ( -6.125 -4.450 -10.499) 12.945 8.021 ( 6.503 5.929 8.360) 12.138 8.218 ( -8.513 7.378 -11.099) 15.814 8.694 ( 6.178 -3.818 7.879) 10.715 8.811 ( -3.210 -2.130 -3.404) 5.141 9.003 ( 4.427 1.307 1.544) 4.867 9.071 ( -5.035 0.189 -4.344) 6.653 9.285 ( -3.050 -3.097 1.952) 4.765 9.322 ( 2.738 -2.856 -1.576) 4.259 10.335 ( 0.471 4.394 2.496) 5.075 10.406 ( -0.818 4.654 -4.968) 6.857 15.596 ( -0.859 -0.197 0.976) 1.315 15.614 ( 0.583 -0.075 -0.620) 0.854 15.927 ( 3.311 1.408 3.291) 4.877 16.003 ( -4.908 0.206 -3.429) 5.991 16.400 ( -1.826 0.128 1.726) 2.516 16.449 ( -0.160 0.295 -3.155) 3.172 16.870 ( -0.463 -4.239 3.053) 5.244 16.937 ( 3.016 -5.992 -3.066) 7.376 17.573 ( 6.110 1.456 11.498) 13.101 17.755 ( -1.791 0.250 -5.809) 6.084 17.984 ( 11.067 -2.564 7.521) 13.624 18.077 ( -6.511 -2.410 -1.789) 7.169 18.199 ( -1.482 0.027 2.030) 2.513 18.262 ( 0.551 0.912 -3.936) 4.077 18.696 ( -3.035 -10.209 10.540) 14.984 18.893 ( -1.818 -9.900 -8.960) 13.476 ======================= Grid point 210 (102/130) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 1.316 5.331 1.611) 5.723 0.952 ( 7.019 5.053 8.042) 11.810 1.051 ( 4.785 6.393 -1.938) 8.217 1.100 ( 6.616 4.243 -10.487) 13.105 1.324 ( 0.219 4.431 -12.712) 13.463 1.384 ( 7.445 2.840 11.653) 14.117 1.610 ( 0.408 0.829 2.877) 3.021 1.711 ( 4.656 4.317 -0.813) 6.401 1.751 ( -0.297 -0.012 0.076) 0.306 1.894 ( 4.893 -0.068 2.323) 5.417 2.189 ( 0.777 -1.713 1.177) 2.218 2.329 ( 6.791 -1.687 -1.972) 7.270 2.496 ( -4.623 -0.832 -2.559) 5.349 2.600 ( -2.594 -3.268 -12.491) 13.169 2.636 ( 1.945 -0.310 3.181) 3.741 2.749 ( 5.225 -1.695 5.561) 7.816 3.357 ( 0.017 -2.607 7.456) 7.898 3.457 ( 3.409 -4.833 -2.484) 6.414 3.470 ( -3.670 4.713 2.849) 6.618 3.722 ( 7.123 1.638 -2.013) 7.581 3.967 ( -6.874 -0.048 -4.940) 8.466 4.029 ( -1.669 1.929 -0.057) 2.551 4.801 ( -7.318 2.646 5.960) 9.802 4.914 ( -6.592 1.963 -1.854) 7.123 5.042 ( -1.218 -0.951 2.429) 2.879 5.139 ( 2.664 0.665 2.854) 3.960 5.189 ( 5.703 -2.399 -3.840) 7.282 5.432 ( 10.877 -0.158 -6.400) 12.621 5.711 ( -6.135 -0.849 2.766) 6.783 5.828 ( -0.941 1.065 -2.780) 3.122 6.125 ( -9.338 1.438 3.303) 10.009 6.196 ( -4.020 1.208 -1.739) 4.544 6.256 ( -1.343 1.403 -0.528) 2.012 6.428 ( 3.587 -0.155 0.498) 3.624 6.947 ( 1.395 1.510 4.452) 4.904 6.990 ( 1.825 2.093 -4.243) 5.071 7.118 ( -5.696 -1.818 -3.815) 7.093 7.233 ( 1.775 -0.835 -0.557) 2.039 7.462 ( -1.477 -1.431 -5.430) 5.806 7.577 ( 7.244 -4.302 10.642) 13.573 8.012 ( -6.373 5.573 -8.580) 12.053 8.225 ( 8.069 7.435 11.253) 15.717 8.669 ( -7.320 -4.288 -7.649) 11.423 8.821 ( 2.823 -1.807 3.736) 5.019 8.954 ( -4.210 2.542 -3.652) 6.125 9.094 ( 3.001 -0.835 3.117) 4.407 9.239 ( -3.166 -2.886 1.445) 4.522 9.373 ( 3.150 -2.775 -0.507) 4.228 10.304 ( -3.758 4.297 -0.089) 5.709 10.387 ( -0.026 3.634 -0.052) 3.635 15.605 ( 1.056 0.603 0.895) 1.510 15.648 ( 3.351 -0.818 -0.632) 3.507 15.902 ( -2.720 2.301 -2.035) 4.103 16.069 ( 7.952 -0.887 5.444) 9.678 16.389 ( -0.381 -0.244 2.858) 2.894 16.475 ( 3.049 0.756 0.203) 3.148 16.863 ( -1.550 -3.527 1.524) 4.143 16.931 ( -0.676 -6.575 -5.270) 8.453 17.598 ( -8.039 0.842 -11.846) 14.341 17.710 ( 0.385 0.281 4.252) 4.278 17.917 ( -4.397 0.521 -4.572) 6.365 18.172 ( 2.283 -1.585 0.909) 2.924 18.191 ( -0.080 -0.781 0.905) 1.198 18.309 ( 6.498 -0.991 -0.969) 6.644 18.744 ( -0.499 -10.251 13.238) 16.750 18.792 ( -3.356 -9.293 -4.961) 11.057 ======================= Grid point 211 (103/130) ======================= q-point: ( 0.20 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 3.602 7.179 -5.818) 9.918 1.014 ( 1.056 7.404 -11.848) 14.011 1.139 ( 5.042 8.106 1.347) 9.641 1.160 ( 5.977 0.952 -4.922) 7.801 1.419 ( 11.269 -0.069 5.055) 12.350 1.581 ( 9.427 1.441 4.328) 10.473 1.728 ( 6.874 0.533 10.071) 12.205 1.795 ( 4.281 -0.666 0.859) 4.417 1.842 ( 7.616 4.396 2.327) 9.096 1.958 ( 0.268 0.795 1.274) 1.525 2.232 ( 3.616 -1.435 -0.794) 3.971 2.338 ( -3.253 0.231 -4.643) 5.674 2.480 ( 8.524 0.264 -7.093) 11.092 2.529 ( 1.758 -0.180 -6.380) 6.621 2.634 ( -2.957 1.609 -1.072) 3.533 2.867 ( 5.123 -5.627 1.884) 7.840 3.389 ( -3.030 -1.173 6.736) 7.479 3.482 ( 0.033 -1.304 -5.211) 5.371 3.506 ( 3.740 4.717 4.289) 7.391 3.742 ( -4.363 -0.135 -1.080) 4.497 3.873 ( 2.902 -0.987 -0.380) 3.089 4.016 ( 0.309 0.165 2.224) 2.251 4.713 ( -4.697 5.823 3.392) 8.214 4.800 ( -5.629 0.537 0.484) 5.676 5.039 ( 0.041 -3.829 -2.794) 4.740 5.165 ( -0.910 -0.240 -4.190) 4.294 5.237 ( -0.593 0.162 2.058) 2.147 5.499 ( -4.174 -0.380 -4.503) 6.151 5.644 ( 3.377 1.668 -0.959) 3.887 5.797 ( -0.963 0.082 0.690) 1.188 5.976 ( -8.831 0.747 2.316) 9.160 6.088 ( -4.525 -0.829 -2.690) 5.329 6.248 ( -1.547 3.461 2.838) 4.736 6.471 ( 1.126 0.720 -0.253) 1.361 6.943 ( -2.917 2.116 -4.922) 6.100 7.019 ( 1.443 0.827 3.517) 3.891 7.053 ( 3.766 0.763 -1.699) 4.201 7.268 ( 1.347 -0.041 1.549) 2.054 7.430 ( -0.110 0.808 -2.880) 2.993 7.754 ( 5.018 -2.666 4.347) 7.154 7.914 ( -0.192 -1.021 0.688) 1.246 8.426 ( 3.088 3.736 4.678) 6.736 8.488 ( -3.644 -1.285 -2.028) 4.364 8.795 ( -4.030 4.006 -6.454) 8.599 8.917 ( 0.408 -0.364 1.682) 1.769 9.144 ( 0.676 -2.144 1.934) 2.965 9.189 ( -3.368 -2.813 1.525) 4.646 9.412 ( 0.609 -2.415 0.203) 2.499 10.243 ( -2.413 2.560 -0.277) 3.529 10.375 ( -1.692 2.194 0.877) 2.907 15.641 ( 2.281 1.023 0.909) 2.660 15.700 ( 2.403 -1.007 -2.033) 3.305 15.888 ( 2.820 3.421 -0.411) 4.453 16.287 ( 10.274 -4.055 7.146) 13.155 16.419 ( 0.781 0.033 4.032) 4.107 16.538 ( 2.575 1.119 1.619) 3.241 16.845 ( -1.265 -2.571 -1.157) 3.090 16.859 ( -2.625 -5.189 -3.403) 6.738 17.347 ( -10.065 0.711 -9.953) 14.173 17.561 ( -9.741 -3.198 -10.413) 14.613 17.942 ( 2.953 4.533 3.753) 6.584 18.176 ( -0.303 -0.252 1.309) 1.367 18.209 ( 1.731 -0.970 -1.412) 2.435 18.383 ( 1.010 -2.939 0.892) 3.234 18.706 ( -4.557 -6.816 1.197) 8.286 18.837 ( 3.102 -8.653 3.964) 10.010 ======================= Grid point 212 (104/130) ======================= q-point: ( 0.30 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 6.742 4.321 -6.758) 10.478 1.021 ( 6.622 8.520 -4.730) 11.782 1.172 ( 3.829 7.263 -3.501) 8.926 1.324 ( 9.327 -0.296 -0.639) 9.354 1.655 ( 9.121 -1.501 6.099) 11.074 1.758 ( 3.390 1.555 7.562) 8.431 1.858 ( 1.823 -1.224 0.739) 2.317 1.900 ( -2.634 1.642 -0.563) 3.154 1.916 ( 3.066 0.857 4.996) 5.924 1.991 ( 6.627 2.996 1.991) 7.541 2.216 ( -0.000 0.302 -6.214) 6.222 2.395 ( 7.368 -0.265 1.337) 7.493 2.545 ( 2.603 1.880 -1.889) 3.725 2.608 ( 7.672 2.893 -8.159) 11.567 2.655 ( 11.058 1.407 3.367) 11.644 2.915 ( -0.331 -4.091 -2.753) 4.942 3.293 ( -5.406 1.483 -7.127) 9.068 3.444 ( -1.815 1.736 6.504) 6.972 3.589 ( 0.205 1.354 5.744) 5.905 3.742 ( 1.582 0.399 3.633) 3.983 3.890 ( -1.111 -4.032 -2.259) 4.753 4.075 ( 2.178 -0.896 3.501) 4.220 4.683 ( -3.226 2.499 4.363) 5.974 4.728 ( 0.325 3.830 -2.335) 4.497 4.950 ( -5.988 -5.426 -9.146) 12.204 5.089 ( -2.963 2.726 -2.130) 4.554 5.180 ( -5.139 -0.854 -1.731) 5.489 5.371 ( -5.568 0.468 -1.297) 5.736 5.701 ( 0.392 2.090 1.439) 2.567 5.791 ( -3.098 1.783 1.345) 3.819 5.867 ( -1.661 -2.687 0.558) 3.208 6.005 ( -2.983 -1.739 -2.003) 3.992 6.246 ( 0.035 4.224 2.030) 4.687 6.469 ( -0.783 1.306 -0.757) 1.700 6.896 ( 0.638 4.381 -0.120) 4.428 7.092 ( 2.759 1.129 4.357) 5.279 7.135 ( 5.882 0.545 -0.786) 5.959 7.291 ( -0.653 1.564 2.979) 3.428 7.411 ( 0.257 0.458 -2.572) 2.625 7.818 ( 3.795 1.105 -2.177) 4.513 7.954 ( -1.813 -7.593 1.306) 7.915 8.327 ( -1.457 -3.897 -0.221) 4.166 8.573 ( -2.051 5.322 -2.296) 6.148 8.714 ( 1.933 5.931 3.358) 7.085 8.933 ( 0.438 -1.022 0.251) 1.140 9.136 ( -2.558 -1.941 0.958) 3.351 9.151 ( -1.243 -2.486 0.558) 2.835 9.386 ( -3.065 -1.776 -1.201) 3.741 10.218 ( -0.251 0.543 -0.023) 0.599 10.343 ( -2.154 0.763 0.391) 2.318 15.691 ( 1.027 0.941 2.535) 2.893 15.722 ( 3.573 0.124 -2.441) 4.329 15.977 ( 6.543 2.455 -2.670) 7.481 16.441 ( -0.755 -3.329 3.936) 5.210 16.457 ( 2.362 -1.839 -0.363) 3.016 16.551 ( -1.704 1.125 -2.272) 3.055 16.766 ( -2.271 -3.577 -4.691) 6.321 16.852 ( -0.395 -1.580 -0.819) 1.823 17.185 ( -2.709 0.608 1.803) 3.310 17.380 ( -2.726 -3.023 0.993) 4.190 17.984 ( -1.160 4.061 2.620) 4.970 18.195 ( 1.824 -0.201 -0.179) 1.844 18.233 ( 1.508 -1.137 -1.086) 2.179 18.366 ( -3.894 -2.550 2.495) 5.281 18.634 ( -4.413 -5.315 2.299) 7.280 18.885 ( 2.522 -6.579 -5.493) 8.934 ======================= Grid point 213 (105/130) ======================= q-point: ( 0.40 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 9.559 3.124 -2.387) 10.336 1.170 ( 9.834 4.471 2.050) 10.995 1.247 ( 5.462 6.081 -1.155) 8.255 1.419 ( 1.062 0.398 -3.357) 3.543 1.676 ( -9.963 -0.102 -1.483) 10.073 1.799 ( 3.247 0.648 2.984) 4.457 1.819 ( -3.772 2.145 -3.003) 5.277 1.919 ( 3.487 0.252 6.389) 7.283 2.026 ( 3.367 1.693 1.697) 4.134 2.119 ( 4.188 4.082 7.582) 9.576 2.201 ( 2.833 -1.055 -6.855) 7.492 2.474 ( 1.353 2.530 -2.742) 3.968 2.615 ( 4.017 -1.042 -4.014) 5.773 2.767 ( 14.267 0.525 4.401) 14.940 2.800 ( -5.269 1.225 -5.292) 7.568 2.999 ( 16.827 0.853 6.634) 18.108 3.230 ( 0.942 0.465 -1.352) 1.712 3.447 ( -2.905 1.812 7.858) 8.571 3.569 ( -6.072 -1.016 3.025) 6.860 3.751 ( -6.188 2.204 5.963) 8.872 3.848 ( 1.356 -3.666 -6.337) 7.445 4.066 ( -2.947 -1.366 -5.687) 6.549 4.641 ( -2.648 1.834 4.812) 5.791 4.771 ( 1.719 3.189 -6.674) 7.594 4.815 ( -0.504 -1.598 0.186) 1.686 4.999 ( -4.374 1.967 -7.069) 8.543 5.105 ( -0.632 -1.356 -0.345) 1.536 5.269 ( -5.532 0.473 -0.146) 5.554 5.686 ( -2.462 1.166 2.729) 3.856 5.732 ( -2.189 0.616 0.264) 2.289 5.871 ( -0.470 -1.672 1.315) 2.178 5.956 ( -1.108 -2.335 -2.283) 3.448 6.284 ( 2.962 3.974 0.989) 5.054 6.437 ( -2.006 2.034 -1.314) 3.144 6.961 ( 4.931 4.805 3.573) 7.757 7.141 ( -0.816 1.553 3.665) 4.063 7.252 ( 5.478 0.222 2.925) 6.214 7.291 ( -0.334 1.675 2.364) 2.917 7.410 ( 1.010 -0.588 -1.972) 2.292 7.799 ( -8.177 -5.908 -9.342) 13.749 7.907 ( 5.047 1.992 1.031) 5.523 8.373 ( -3.406 3.115 -4.369) 6.355 8.470 ( 1.979 -1.697 4.967) 5.609 8.829 ( 3.125 2.087 4.834) 6.123 8.939 ( 0.799 -0.123 0.644) 1.034 9.106 ( -1.206 -1.820 1.341) 2.562 9.121 ( -1.816 -1.270 -1.020) 2.439 9.298 ( -4.458 -1.318 -3.529) 5.837 10.229 ( 1.184 -0.593 0.236) 1.345 10.305 ( -2.026 -0.309 -0.133) 2.053 15.721 ( 1.203 1.087 3.279) 3.658 15.806 ( 5.481 -0.517 0.203) 5.509 16.038 ( 2.698 2.324 -7.227) 8.056 16.356 ( -7.404 -2.960 -9.003) 12.027 16.423 ( -4.281 -0.102 3.242) 5.372 16.480 ( -1.717 0.109 -4.661) 4.969 16.732 ( 1.496 -2.172 -3.235) 4.174 16.796 ( -3.615 -1.522 -1.558) 4.220 17.278 ( 6.203 1.024 12.649) 14.125 17.524 ( 10.084 -3.506 13.981) 17.591 17.938 ( -3.968 2.865 -1.501) 5.119 18.196 ( -4.830 -2.267 -1.026) 5.434 18.238 ( -0.119 -0.446 2.418) 2.461 18.308 ( -0.612 -0.128 -2.193) 2.280 18.587 ( -2.842 -4.525 3.821) 6.569 18.859 ( 0.816 -5.561 -11.281) 12.604 ======================= Grid point 214 (106/130) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 7.530 4.425 0.275) 8.738 1.251 ( -7.884 6.019 -1.457) 10.025 1.320 ( 5.107 0.360 0.416) 5.137 1.343 ( -5.788 -2.621 -2.219) 6.730 1.574 ( 0.901 2.921 6.227) 6.937 1.710 ( -2.281 1.687 -7.149) 7.692 1.893 ( 3.468 2.974 4.134) 6.162 1.980 ( -1.632 1.042 -1.009) 2.184 2.036 ( -1.606 3.051 3.942) 5.237 2.180 ( 2.013 0.704 -7.052) 7.368 2.275 ( 2.908 1.940 9.533) 10.154 2.446 ( -1.032 1.408 -6.041) 6.288 2.610 ( -3.670 0.660 1.294) 3.947 2.694 ( 0.534 0.888 -6.166) 6.252 3.090 ( 13.436 -1.375 6.186) 14.856 3.162 ( -7.641 -0.607 -0.898) 7.718 3.308 ( 9.428 -2.917 3.235) 10.385 3.368 ( -13.592 -2.879 -2.081) 14.049 3.553 ( 5.950 3.302 11.300) 13.190 3.675 ( -2.296 2.045 4.298) 5.285 3.836 ( 0.552 0.502 -4.776) 4.834 3.933 ( -4.099 -0.481 -8.832) 9.748 4.652 ( -0.426 3.171 4.291) 5.352 4.747 ( 1.946 0.848 -3.780) 4.336 4.840 ( -0.518 0.569 0.203) 0.795 4.895 ( -0.954 1.752 -6.277) 6.586 5.125 ( -1.530 -0.613 3.366) 3.747 5.196 ( 1.943 -0.398 -3.489) 4.013 5.680 ( 0.128 0.066 2.352) 2.356 5.716 ( 0.707 0.226 -1.202) 1.412 5.870 ( -1.178 -1.197 3.344) 3.742 5.927 ( -0.326 -2.257 -2.106) 3.104 6.350 ( 2.924 3.187 0.907) 4.419 6.385 ( -1.933 2.959 -2.459) 4.305 7.092 ( 1.327 2.937 3.042) 4.432 7.109 ( 0.427 2.406 1.745) 3.003 7.291 ( -1.986 0.565 5.429) 5.809 7.371 ( 3.904 0.101 -1.681) 4.252 7.429 ( 2.777 -1.024 3.444) 4.541 7.581 ( -7.607 -3.657 -9.523) 12.725 8.040 ( 6.900 3.561 5.128) 9.305 8.180 ( -8.583 6.233 -9.225) 14.058 8.643 ( 6.785 -4.331 10.113) 12.926 8.807 ( -3.773 -3.123 -6.071) 7.801 9.012 ( 3.444 1.430 4.999) 6.237 9.077 ( -1.856 -0.682 -1.829) 2.693 9.120 ( 0.890 -1.235 2.767) 3.158 9.200 ( -2.333 -0.467 -4.853) 5.405 10.258 ( 1.086 -0.801 0.596) 1.475 10.270 ( -0.988 -0.794 -0.650) 1.425 15.782 ( 2.179 0.786 4.952) 5.467 15.874 ( 0.389 -0.870 -3.306) 3.440 16.023 ( 2.177 1.566 -0.207) 2.690 16.129 ( -9.149 -0.705 -9.294) 13.060 16.377 ( -3.505 -0.073 4.683) 5.849 16.469 ( 3.590 -0.608 -4.533) 5.814 16.727 ( -3.618 -1.030 0.907) 3.870 16.759 ( 2.664 -1.866 -2.029) 3.833 17.515 ( 8.976 1.583 14.086) 16.778 17.727 ( -1.342 -0.774 -4.598) 4.852 17.916 ( 7.835 -1.161 7.913) 11.196 18.040 ( -9.081 -2.209 -2.813) 9.760 18.251 ( -0.295 -0.018 1.376) 1.407 18.305 ( 1.656 -0.420 -3.719) 4.093 18.577 ( -2.646 -3.728 7.777) 9.021 18.783 ( -0.221 -5.551 -12.152) 13.362 ======================= Grid point 215 (107/130) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -11.363 5.225 -0.226) 12.509 1.162 ( -11.786 1.328 0.511) 11.872 1.262 ( -3.941 5.213 -0.073) 6.535 1.399 ( -0.431 -2.711 -1.609) 3.182 1.667 ( 3.798 1.785 -1.119) 4.343 1.716 ( 6.988 3.347 5.576) 9.546 1.869 ( -4.035 3.017 -1.959) 5.405 1.982 ( 0.097 1.114 0.814) 1.383 2.019 ( -3.974 2.783 3.493) 5.978 2.151 ( 0.153 -0.252 -6.598) 6.604 2.272 ( -5.607 0.746 -1.470) 5.845 2.435 ( 1.635 3.519 -0.829) 3.968 2.522 ( -6.511 0.223 3.809) 7.547 2.732 ( 3.392 1.044 1.019) 3.692 2.888 ( -15.690 -2.479 -6.569) 17.189 3.091 ( -14.381 -3.436 -3.110) 15.109 3.232 ( -0.959 3.420 -0.977) 3.684 3.474 ( 2.672 -2.671 8.440) 9.247 3.620 ( 3.124 1.570 -3.576) 5.001 3.781 ( 5.182 -0.749 1.079) 5.345 3.870 ( 4.521 -1.522 -4.632) 6.649 3.891 ( 3.358 2.172 8.228) 9.148 4.654 ( -0.847 4.083 0.960) 4.279 4.785 ( 4.057 2.908 -4.289) 6.581 4.812 ( -1.402 -0.897 0.924) 1.904 4.901 ( 3.243 -0.432 0.610) 3.328 5.097 ( 0.156 -0.158 -0.036) 0.225 5.274 ( 4.947 0.277 -0.626) 4.995 5.715 ( 1.937 1.483 0.778) 2.560 5.742 ( 2.914 -0.249 -1.215) 3.167 5.866 ( -1.192 -2.357 2.395) 3.566 5.929 ( 1.610 -2.351 -0.348) 2.871 6.328 ( -0.939 4.023 -3.365) 5.328 6.410 ( 2.008 2.474 1.265) 3.428 7.002 ( -5.819 2.708 -0.080) 6.419 7.201 ( 2.772 1.963 -1.781) 3.835 7.253 ( -5.759 -0.252 1.901) 6.070 7.360 ( -0.839 0.234 -2.032) 2.211 7.439 ( -2.324 -0.810 -6.021) 6.504 7.590 ( 7.908 -2.194 10.905) 13.648 7.976 ( -7.606 4.995 -6.312) 11.075 8.216 ( 7.359 4.698 7.994) 11.837 8.658 ( -6.091 -4.490 -9.956) 12.505 8.800 ( 4.053 -2.898 5.795) 7.642 9.013 ( -3.176 1.167 -4.451) 5.592 9.089 ( 2.542 -0.428 2.326) 3.472 9.129 ( 0.216 -1.252 -0.055) 1.272 9.225 ( 4.921 -0.800 2.279) 5.482 10.236 ( -1.231 -0.612 -0.419) 1.437 10.302 ( 2.357 -0.303 0.220) 2.386 15.784 ( -3.951 0.461 -2.822) 4.877 15.848 ( -0.075 -0.090 -0.981) 0.988 15.932 ( -6.508 1.271 -0.572) 6.655 16.144 ( 4.804 -1.891 10.022) 11.273 16.379 ( 1.294 0.856 3.825) 4.128 16.518 ( 3.904 -0.221 -3.778) 5.437 16.678 ( -2.301 -1.014 1.929) 3.169 16.796 ( 2.516 -2.648 -0.990) 3.785 17.545 ( -7.749 0.781 -13.364) 15.467 17.705 ( 0.603 -0.927 1.071) 1.540 17.891 ( -1.017 0.996 -1.068) 1.780 18.138 ( 5.539 -2.226 5.170) 7.897 18.245 ( -1.150 0.044 0.999) 1.524 18.337 ( 5.862 -1.830 -3.707) 7.173 18.594 ( -1.876 -3.868 11.575) 12.347 18.716 ( 0.382 -6.124 -6.915) 9.244 ======================= Grid point 216 (108/130) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -9.016 5.001 1.378) 10.402 0.946 ( -12.236 6.421 2.926) 14.125 1.152 ( -5.970 5.731 -1.137) 8.353 1.275 ( -8.910 -0.967 0.534) 8.979 1.759 ( -7.986 1.704 -0.268) 8.170 1.805 ( 5.751 0.448 2.700) 6.369 1.864 ( 4.595 2.311 2.905) 5.908 1.897 ( -10.205 0.095 -2.841) 10.594 1.938 ( -1.778 0.553 -3.738) 4.176 2.114 ( -3.623 -0.673 -1.420) 3.949 2.162 ( -0.825 2.157 -5.274) 5.758 2.415 ( -5.050 -0.346 0.690) 5.109 2.437 ( -6.069 4.229 5.523) 9.231 2.599 ( -8.143 1.034 -4.377) 9.303 2.734 ( -11.448 0.623 -2.985) 11.847 2.870 ( -0.348 -3.042 -0.031) 3.061 3.177 ( -2.445 4.132 2.824) 5.570 3.552 ( 2.505 0.496 0.055) 2.554 3.628 ( 0.156 -2.510 0.500) 2.564 3.817 ( -1.842 1.226 -4.321) 4.855 3.872 ( 0.102 -2.680 -1.986) 3.337 4.065 ( 5.477 -0.880 5.976) 8.153 4.672 ( 2.337 3.936 2.009) 4.999 4.773 ( 0.917 -0.657 -1.265) 1.695 4.855 ( 3.548 -1.260 -3.490) 5.134 5.026 ( 7.535 1.347 5.172) 9.239 5.148 ( 5.015 0.378 -0.042) 5.030 5.340 ( 2.167 1.070 1.682) 2.945 5.703 ( -4.212 2.016 1.441) 4.887 5.812 ( 4.053 0.967 -1.474) 4.419 5.884 ( 3.746 -2.598 -0.310) 4.569 5.979 ( 3.673 -3.216 0.404) 4.899 6.312 ( 1.985 4.341 -4.450) 6.525 6.440 ( 0.034 2.271 2.236) 3.187 6.911 ( -3.561 3.182 -0.348) 4.788 7.121 ( -7.571 0.635 -1.303) 7.709 7.185 ( -1.544 1.616 -3.482) 4.137 7.359 ( -0.117 1.050 2.123) 2.371 7.375 ( -1.526 0.425 -4.791) 5.046 7.776 ( -0.218 -0.165 5.012) 5.020 7.876 ( 3.903 -1.491 3.178) 5.250 8.389 ( 4.577 3.289 4.526) 7.228 8.493 ( -3.277 -2.938 -5.721) 7.218 8.833 ( -2.558 1.807 -3.836) 4.952 8.941 ( -0.602 0.333 -1.635) 1.774 9.140 ( 1.920 -1.365 0.801) 2.488 9.161 ( 3.149 -1.973 -0.494) 3.749 9.335 ( 4.197 -2.150 3.559) 5.908 10.222 ( 0.118 0.446 -0.358) 0.584 10.349 ( 2.901 0.734 -0.189) 2.999 15.700 ( -3.953 0.618 -0.380) 4.019 15.768 ( -2.951 -0.100 -5.213) 5.991 15.890 ( -3.385 2.199 5.281) 6.647 16.295 ( 2.448 -4.810 12.656) 13.758 16.465 ( 4.126 0.970 3.336) 5.393 16.534 ( 0.064 1.379 -1.002) 1.706 16.693 ( 2.603 -2.401 1.770) 3.959 16.834 ( 1.761 -2.863 -0.188) 3.366 17.330 ( -5.793 0.539 -11.479) 12.869 17.549 ( -6.542 -3.368 -12.723) 14.697 17.976 ( 2.870 4.110 3.635) 6.192 18.178 ( -0.951 -1.000 1.798) 2.267 18.228 ( -0.203 -0.083 -1.029) 1.052 18.399 ( 0.156 -2.647 -0.363) 2.677 18.671 ( 3.899 -6.889 -0.567) 7.936 18.741 ( 3.887 -5.597 7.200) 9.914 ======================= Grid point 217 (109/130) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -6.092 7.377 5.617) 11.094 0.824 ( -5.363 9.356 7.936) 13.389 1.055 ( -6.663 4.644 3.658) 8.907 1.147 ( -4.892 1.621 2.159) 5.588 1.570 ( -9.841 0.690 -3.940) 10.623 1.614 ( -15.812 0.734 -4.491) 16.453 1.808 ( -3.784 0.180 -1.679) 4.143 1.882 ( -1.435 1.907 -1.961) 3.089 1.952 ( -1.704 0.433 -4.012) 4.381 2.015 ( -1.018 -0.368 -6.177) 6.271 2.172 ( 0.485 1.222 3.728) 3.953 2.282 ( -7.596 1.529 -2.404) 8.112 2.315 ( -9.897 1.641 7.911) 12.775 2.518 ( -1.470 -0.001 -2.702) 3.076 2.614 ( 3.722 2.668 0.800) 4.649 2.883 ( -1.431 -5.624 -0.164) 5.806 3.236 ( 3.111 4.554 12.699) 13.845 3.536 ( -0.729 -0.905 -5.717) 5.834 3.632 ( -1.721 1.479 -3.846) 4.466 3.740 ( -1.999 1.160 -1.281) 2.643 3.846 ( -1.959 -4.397 1.908) 5.178 4.096 ( -1.386 -0.754 -4.288) 4.569 4.753 ( 4.761 4.209 1.523) 6.534 4.842 ( 5.796 -1.409 -1.121) 6.069 4.899 ( 2.531 -3.820 3.831) 5.973 5.153 ( 3.999 3.113 -2.336) 5.580 5.247 ( 3.405 0.064 1.982) 3.941 5.394 ( 1.097 1.418 5.201) 5.501 5.616 ( -4.223 1.927 1.163) 4.785 5.834 ( 0.843 0.182 -1.886) 2.074 6.005 ( 8.257 -1.183 -0.670) 8.368 6.050 ( 3.379 -2.943 0.510) 4.511 6.332 ( 2.862 3.891 -4.547) 6.634 6.444 ( -1.031 2.354 2.337) 3.474 6.879 ( -0.815 2.584 2.272) 3.536 7.001 ( -3.869 1.672 -0.416) 4.235 7.126 ( -2.028 1.690 -4.205) 4.964 7.309 ( -2.707 -0.189 -2.085) 3.422 7.374 ( -0.374 1.751 2.512) 3.085 7.736 ( -2.000 2.183 1.663) 3.395 7.998 ( 1.495 -6.937 -0.916) 7.156 8.367 ( 2.002 -3.887 -1.098) 4.508 8.578 ( 2.740 4.672 3.844) 6.642 8.719 ( -2.645 6.045 -4.648) 8.071 8.946 ( 0.890 -0.823 -0.990) 1.566 9.170 ( 1.266 -1.964 -0.856) 2.489 9.218 ( 3.475 -2.333 -1.096) 4.327 9.395 ( -0.157 -3.746 2.022) 4.260 10.240 ( 2.001 2.353 0.000) 3.089 10.402 ( 3.348 2.126 -1.598) 4.276 15.641 ( -2.613 0.608 0.852) 2.815 15.698 ( -2.819 -0.480 -1.649) 3.301 15.862 ( -1.604 3.158 1.732) 3.943 16.329 ( -5.843 -6.960 4.143) 9.987 16.483 ( -1.978 0.079 -1.350) 2.397 16.566 ( 1.124 1.680 -0.020) 2.021 16.765 ( 3.103 -3.414 2.559) 5.276 16.846 ( 0.027 -1.497 0.632) 1.625 17.242 ( 1.584 0.163 -0.197) 1.605 17.445 ( 2.426 -2.793 -1.110) 3.863 17.984 ( -2.584 3.560 -0.247) 4.406 18.167 ( -1.271 -0.930 1.641) 2.275 18.231 ( 1.294 0.021 -2.758) 3.047 18.364 ( -3.949 -2.354 2.669) 5.316 18.706 ( 0.404 -7.935 1.261) 8.045 18.881 ( 6.584 -7.048 -0.287) 9.649 ======================= Grid point 218 (110/130) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -1.803 7.982 11.343) 13.987 0.806 ( -5.243 6.994 11.811) 14.694 0.985 ( -1.857 3.849 7.604) 8.723 1.115 ( -1.053 6.739 -1.191) 6.924 1.305 ( -10.549 0.329 -9.862) 14.445 1.451 ( -2.396 2.510 3.134) 4.676 1.731 ( -3.869 1.035 -1.346) 4.225 1.791 ( -4.990 1.128 -14.355) 15.239 1.806 ( -3.613 2.722 -5.719) 7.292 1.956 ( -3.601 -0.173 -3.582) 5.083 2.132 ( -2.903 -0.632 4.597) 5.473 2.223 ( -5.684 -0.420 8.057) 9.869 2.335 ( 6.259 1.527 10.752) 12.534 2.508 ( 1.465 -2.033 -1.926) 3.160 2.719 ( 3.910 1.789 -2.107) 4.789 2.813 ( -3.620 -6.417 -2.522) 7.787 3.358 ( -0.915 0.885 8.903) 8.994 3.511 ( 0.608 -2.873 -5.077) 5.865 3.534 ( -0.778 3.635 -4.773) 6.050 3.687 ( -6.055 2.067 1.275) 6.524 3.868 ( 3.947 -1.239 2.105) 4.641 4.058 ( 1.478 -1.164 -2.775) 3.353 4.833 ( 1.472 3.373 4.107) 5.515 4.936 ( 6.634 -1.896 -2.467) 7.328 4.995 ( 2.685 -3.817 4.853) 6.733 5.165 ( 3.071 2.637 -6.141) 7.355 5.249 ( -3.683 0.518 -0.213) 3.726 5.335 ( -9.365 2.372 0.527) 9.675 5.665 ( 5.268 1.354 4.869) 7.300 5.841 ( 1.218 -0.341 -1.642) 2.073 6.109 ( 2.385 -1.628 3.175) 4.292 6.148 ( 7.633 -0.535 -0.121) 7.653 6.333 ( -0.599 2.423 -2.314) 3.404 6.435 ( -0.774 2.214 -1.499) 2.783 6.879 ( -1.774 2.012 4.974) 5.651 7.021 ( 4.184 0.700 2.313) 4.832 7.065 ( -0.713 1.790 -4.267) 4.682 7.257 ( -1.692 -1.000 -1.183) 2.295 7.376 ( -1.268 0.700 3.420) 3.714 7.727 ( -1.669 -0.470 -1.234) 2.128 7.940 ( -0.994 -2.020 -3.816) 4.431 8.426 ( -4.674 4.398 -6.066) 8.831 8.531 ( 4.204 -2.078 2.915) 5.521 8.791 ( 4.312 3.456 4.938) 7.411 8.952 ( 1.318 -0.104 -2.312) 2.663 9.162 ( -1.325 -1.930 -3.323) 4.065 9.269 ( 2.947 -2.483 -1.133) 4.017 9.357 ( -4.268 -4.179 0.977) 6.052 10.289 ( 2.756 3.966 0.900) 4.912 10.434 ( 1.721 3.607 -4.167) 5.774 15.613 ( -1.287 0.178 0.687) 1.469 15.638 ( -2.828 -0.381 -0.216) 2.862 15.868 ( 1.475 3.023 0.796) 3.457 16.165 ( -10.053 -4.039 -2.963) 11.232 16.428 ( -2.265 0.519 -0.572) 2.393 16.519 ( -3.282 0.627 -4.617) 5.699 16.833 ( 1.964 -3.962 3.784) 5.820 16.882 ( 3.008 -3.503 0.911) 4.706 17.373 ( 7.223 0.335 10.347) 12.623 17.611 ( 10.309 -2.942 10.674) 15.129 17.916 ( -2.789 2.736 -2.638) 4.714 18.152 ( -1.925 -1.746 1.432) 2.967 18.222 ( -1.213 -0.639 -0.279) 1.399 18.305 ( -3.038 -0.003 -0.814) 3.146 18.704 ( -2.444 -9.313 4.388) 10.581 18.943 ( 2.629 -8.718 -6.993) 11.481 ======================= Grid point 219 (111/130) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.067 2.208 8.456) 8.740 0.921 ( 0.282 1.172 -0.257) 1.232 1.089 ( 3.797 3.954 4.135) 6.867 1.218 ( 1.025 2.123 -5.633) 6.106 1.327 ( 1.036 10.226 8.161) 13.124 1.583 ( -2.747 7.086 -10.914) 13.299 1.639 ( 0.222 1.586 2.554) 3.014 1.729 ( 1.087 1.318 -2.930) 3.392 1.790 ( -1.725 0.700 0.218) 1.874 1.848 ( -2.226 0.218 -4.542) 5.063 2.151 ( 0.925 -0.443 5.099) 5.201 2.184 ( 0.762 -1.318 2.741) 3.136 2.392 ( 1.343 -6.920 1.959) 7.317 2.467 ( -0.375 -8.268 -4.284) 9.319 2.685 ( 2.927 5.235 5.588) 8.198 2.812 ( -1.257 3.127 -3.853) 5.119 3.273 ( -2.499 -3.326 1.414) 4.394 3.364 ( -2.119 -4.464 -6.731) 8.350 3.625 ( -3.211 4.067 2.130) 5.603 3.683 ( 3.364 3.093 -2.936) 5.432 3.997 ( 3.572 0.142 5.159) 6.277 4.046 ( 0.338 -1.989 0.446) 2.067 4.849 ( -3.822 -0.517 7.683) 8.596 4.960 ( 2.801 -3.701 -2.084) 5.088 5.100 ( 4.350 3.446 1.652) 5.790 5.173 ( -4.338 1.394 -4.498) 6.403 5.184 ( -8.746 2.374 0.692) 9.089 5.267 ( 8.535 -0.023 -5.948) 10.403 5.754 ( -1.335 0.424 4.519) 4.731 5.838 ( 2.097 -1.151 -3.658) 4.371 6.197 ( 3.571 1.100 6.116) 7.167 6.257 ( 1.614 0.402 0.288) 1.688 6.319 ( -1.700 0.608 1.242) 2.192 6.385 ( -3.904 -0.243 -5.043) 6.382 6.944 ( -0.147 2.634 5.290) 5.911 7.044 ( 0.154 1.509 -4.283) 4.544 7.126 ( 1.336 -1.042 3.101) 3.533 7.199 ( 0.049 -1.700 -3.128) 3.561 7.383 ( 0.923 -0.801 3.562) 3.766 7.502 ( -4.579 -4.498 -8.244) 10.448 8.160 ( 8.013 7.580 10.298) 15.090 8.369 ( -8.202 7.370 -10.497) 15.224 8.601 ( 7.026 -5.342 8.393) 12.180 8.749 ( -5.668 -4.004 -6.155) 9.276 9.030 ( 2.213 1.439 2.007) 3.316 9.082 ( -2.104 0.852 -2.747) 3.563 9.223 ( -2.191 -2.872 1.434) 3.887 9.264 ( 2.766 -2.927 -2.280) 4.628 10.417 ( 0.313 3.590 2.218) 4.231 10.475 ( -0.574 2.202 -3.726) 4.366 15.592 ( -0.248 -0.142 0.805) 0.854 15.608 ( 0.046 -0.485 -0.635) 0.800 15.958 ( 1.167 1.640 2.945) 3.567 16.008 ( -2.497 0.197 -1.275) 2.811 16.408 ( -1.700 0.713 0.113) 1.847 16.452 ( 0.229 -0.060 -4.051) 4.058 16.794 ( -0.099 -3.075 2.200) 3.782 16.833 ( 0.972 -4.199 -1.433) 4.541 17.612 ( 7.050 2.332 10.928) 13.212 17.750 ( 1.489 -0.945 -0.387) 1.805 17.945 ( 5.478 -1.105 3.970) 6.855 18.025 ( -5.620 -2.611 -2.295) 6.608 18.210 ( -1.221 1.139 3.073) 3.497 18.283 ( -0.005 0.973 -2.951) 3.107 18.537 ( -2.421 -5.635 5.619) 8.317 18.703 ( -1.756 -8.733 -9.512) 13.032 ======================= Grid point 220 (112/130) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 6.660 3.026 0.381) 7.325 1.013 ( 9.572 1.557 3.924) 10.462 1.172 ( 1.229 4.692 -8.688) 9.950 1.200 ( 7.209 4.604 -2.251) 8.845 1.433 ( -2.012 5.740 -11.896) 13.361 1.471 ( 3.802 5.838 13.684) 15.356 1.619 ( -1.737 -0.056 -0.061) 1.739 1.739 ( -1.179 -1.027 1.587) 2.228 1.805 ( 6.218 4.551 0.177) 7.707 1.902 ( 5.352 0.838 1.313) 5.574 2.159 ( 0.909 -1.034 -0.008) 1.377 2.292 ( 6.260 -2.053 -0.989) 6.662 2.431 ( 0.691 -4.667 0.112) 4.720 2.455 ( 3.453 -7.602 -1.363) 8.460 2.715 ( -2.457 4.969 -7.002) 8.931 2.779 ( 1.343 3.347 3.648) 5.130 3.292 ( 0.430 -3.593 6.208) 7.185 3.342 ( 2.855 -5.686 0.308) 6.370 3.580 ( -1.407 5.488 2.128) 6.052 3.750 ( 3.800 0.791 -1.979) 4.357 3.969 ( -4.913 0.493 -3.301) 5.940 4.053 ( -0.880 0.239 -1.658) 1.892 4.812 ( -4.611 -0.467 5.771) 7.402 4.963 ( -3.392 -4.923 -0.490) 5.998 4.999 ( -4.623 5.121 -3.287) 7.642 5.157 ( 1.289 0.973 2.191) 2.723 5.209 ( 4.326 2.872 1.125) 5.313 5.412 ( 9.422 -1.971 -3.929) 10.397 5.712 ( -4.678 0.917 1.830) 5.106 5.828 ( -0.998 -1.009 -3.314) 3.604 6.150 ( -8.506 1.167 0.093) 8.586 6.205 ( -5.544 -0.231 -5.978) 8.156 6.298 ( 0.439 2.620 4.995) 5.657 6.419 ( 3.695 -0.832 2.462) 4.517 6.981 ( 0.706 1.825 3.333) 3.865 7.036 ( 2.224 2.196 -2.898) 4.263 7.087 ( -5.034 -1.103 -1.504) 5.368 7.205 ( 1.801 -1.925 -0.598) 2.703 7.430 ( 0.956 -1.418 -2.489) 3.020 7.496 ( 5.966 -3.561 7.183) 9.994 8.145 ( -8.164 7.341 -10.210) 14.992 8.377 ( 7.769 7.508 10.561) 15.108 8.571 ( -7.807 -5.333 -8.215) 12.525 8.764 ( 4.736 -3.881 6.302) 8.787 9.009 ( -2.801 2.781 -2.412) 4.625 9.082 ( 0.945 -0.219 1.684) 1.944 9.188 ( -2.512 -2.051 0.848) 3.352 9.302 ( 2.854 -4.028 -1.846) 5.271 10.387 ( -4.147 3.650 0.065) 5.525 10.444 ( -1.449 1.911 -0.059) 2.399 15.613 ( 1.818 0.241 0.737) 1.977 15.632 ( 2.900 -0.664 -0.672) 3.050 15.951 ( -1.310 2.417 0.018) 2.749 16.051 ( 5.035 -0.960 3.659) 6.298 16.396 ( 0.143 0.903 1.951) 2.155 16.481 ( 3.684 -0.253 -0.719) 3.762 16.794 ( -0.991 -3.184 1.499) 3.656 16.820 ( -0.946 -4.152 -2.505) 4.941 17.616 ( -8.263 1.086 -11.170) 13.936 17.703 ( -4.355 -0.959 -1.986) 4.882 17.941 ( 1.923 1.947 0.069) 2.738 18.123 ( 6.366 -2.986 1.219) 7.137 18.200 ( -2.035 1.374 2.672) 3.628 18.294 ( 2.573 -0.490 -0.651) 2.699 18.566 ( 0.019 -7.179 10.762) 12.936 18.620 ( -1.538 -7.520 -4.204) 8.752 ======================= Grid point 221 (113/130) ======================= q-point: ( 0.20 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 3.337 5.818 -5.147) 8.454 1.146 ( 3.449 5.630 -9.892) 11.893 1.175 ( 6.503 1.654 -5.713) 8.812 1.329 ( 1.162 8.391 -0.867) 8.515 1.402 ( 10.571 -1.267 -0.916) 10.686 1.610 ( 8.503 0.950 5.402) 10.119 1.724 ( 4.758 -0.799 10.380) 11.446 1.774 ( 3.412 -1.193 3.798) 5.244 1.929 ( 6.243 3.606 0.310) 7.216 1.980 ( 2.127 1.714 0.585) 2.794 2.211 ( 4.601 -0.581 -0.242) 4.644 2.331 ( 0.549 -2.112 -4.967) 5.425 2.456 ( 3.716 -0.382 0.432) 3.760 2.531 ( 7.570 -0.120 -5.921) 9.611 2.698 ( 0.110 3.484 1.277) 3.712 2.794 ( 2.640 -1.215 -2.881) 4.092 3.340 ( -0.434 -3.194 7.128) 7.823 3.418 ( 2.603 -4.465 1.661) 5.428 3.604 ( 1.544 4.617 0.865) 4.944 3.740 ( -3.583 -0.175 -1.071) 3.744 3.889 ( -0.037 2.215 -2.711) 3.502 4.018 ( -0.705 -0.243 0.591) 0.952 4.763 ( -4.220 -0.168 3.620) 5.562 4.852 ( -4.796 1.466 -1.256) 5.170 4.958 ( -1.002 -0.464 -4.259) 4.400 5.187 ( -0.609 0.489 1.582) 1.764 5.248 ( -1.114 1.727 -0.524) 2.121 5.472 ( -3.050 -2.362 -1.899) 4.299 5.680 ( 3.582 1.833 -1.713) 4.373 5.782 ( -1.413 -1.370 -0.562) 2.047 5.993 ( -8.875 1.030 0.157) 8.936 6.068 ( -5.026 -1.148 -4.016) 6.535 6.325 ( -0.936 3.998 4.116) 5.814 6.475 ( 1.175 -0.413 1.291) 1.794 6.988 ( -1.096 2.300 -2.629) 3.661 7.032 ( 2.120 0.539 0.981) 2.398 7.087 ( 3.134 2.423 1.863) 4.378 7.248 ( 2.333 -1.797 1.512) 3.310 7.447 ( 1.188 0.998 -1.135) 1.923 7.661 ( 5.679 -5.611 8.164) 11.419 7.967 ( -4.722 5.219 -6.727) 9.736 8.359 ( -7.241 -5.751 -8.286) 12.417 8.586 ( 5.919 6.345 9.185) 12.635 8.838 ( 0.513 -0.594 0.506) 0.933 8.943 ( -2.026 3.671 -2.223) 4.746 9.102 ( -0.174 -1.872 2.317) 2.984 9.144 ( -2.822 -1.585 0.715) 3.315 9.332 ( 1.202 -5.152 -1.440) 5.483 10.306 ( -4.138 3.353 -0.245) 5.331 10.404 ( -3.166 0.669 0.782) 3.329 15.658 ( 2.609 0.664 0.483) 2.736 15.685 ( 2.991 -0.582 -1.337) 3.327 15.960 ( 2.661 3.761 0.197) 4.611 16.200 ( 7.628 -4.366 4.413) 9.835 16.432 ( 1.434 1.261 3.370) 3.874 16.552 ( 3.312 -0.134 1.012) 3.466 16.762 ( -2.505 -3.455 -2.264) 4.831 16.799 ( 0.089 -2.292 1.239) 2.607 17.365 ( -10.040 1.155 -10.303) 14.432 17.498 ( -9.944 -3.051 -10.478) 14.764 18.034 ( 3.715 4.537 3.365) 6.761 18.180 ( -0.103 0.574 0.500) 0.769 18.192 ( 1.474 -0.675 0.059) 1.622 18.320 ( -0.182 -3.164 0.839) 3.279 18.584 ( -2.290 -4.980 1.739) 5.750 18.668 ( 4.470 -7.714 4.358) 9.923 ======================= Grid point 222 (114/130) ======================= q-point: ( 0.30 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 3.908 5.243 -6.207) 9.016 1.175 ( 4.666 6.318 -5.187) 9.412 1.251 ( 5.527 1.131 -3.742) 6.770 1.355 ( 6.952 1.913 -7.036) 10.075 1.640 ( 9.512 0.715 7.035) 11.853 1.796 ( 2.090 1.985 7.626) 8.152 1.824 ( 4.807 -2.120 2.781) 5.944 1.899 ( 4.265 -1.544 4.029) 6.067 1.938 ( -1.917 1.978 -1.379) 3.080 2.052 ( 4.314 2.028 1.260) 4.930 2.251 ( 0.361 2.768 -2.856) 3.994 2.371 ( 7.205 -1.874 0.315) 7.451 2.583 ( 4.638 2.410 1.041) 5.330 2.655 ( 11.607 1.715 -6.107) 13.227 2.715 ( 5.889 3.440 -0.536) 6.841 2.842 ( 2.022 -2.912 -1.113) 3.715 3.317 ( -4.112 0.928 -0.630) 4.262 3.459 ( 0.443 -0.807 5.381) 5.459 3.609 ( -1.804 0.937 1.102) 2.312 3.720 ( 2.143 -2.526 -0.129) 3.315 3.864 ( -2.808 1.753 0.416) 3.336 4.049 ( 0.769 -1.829 3.176) 3.745 4.707 ( -3.775 0.582 2.336) 4.477 4.788 ( -1.105 -0.764 -2.081) 2.477 4.890 ( -2.630 1.987 -4.631) 5.684 5.136 ( -4.953 -1.600 0.188) 5.208 5.171 ( -4.137 3.433 -4.774) 7.190 5.371 ( -5.009 -0.638 -0.906) 5.130 5.729 ( -0.040 0.585 0.566) 0.815 5.800 ( 3.035 -2.208 -0.641) 3.808 5.838 ( -7.342 1.609 -0.121) 7.517 5.973 ( -3.328 -1.671 -2.367) 4.412 6.334 ( -0.139 4.377 2.783) 5.188 6.485 ( -0.553 0.032 0.530) 0.767 6.991 ( 2.457 4.769 0.136) 5.366 7.112 ( 4.624 0.681 2.585) 5.341 7.158 ( 3.315 1.782 1.655) 4.112 7.296 ( 1.217 -1.016 2.351) 2.836 7.438 ( -1.151 2.259 -1.626) 3.012 7.766 ( 0.280 -7.163 2.403) 7.561 7.901 ( 0.624 3.298 -1.948) 3.881 8.233 ( -1.269 -5.287 -0.433) 5.454 8.677 ( -1.390 4.854 -2.188) 5.503 8.820 ( 0.438 3.347 1.048) 3.535 8.929 ( 0.412 1.809 0.964) 2.091 9.098 ( -2.459 -1.689 1.662) 3.415 9.109 ( -0.545 -1.705 0.415) 1.837 9.314 ( -1.976 -5.130 -2.061) 5.872 10.246 ( -2.160 2.060 -0.026) 2.985 10.347 ( -3.324 -0.355 0.358) 3.362 15.709 ( 1.545 0.764 1.666) 2.397 15.724 ( 3.487 0.047 -1.614) 3.842 16.037 ( 5.677 3.457 -2.662) 7.160 16.325 ( 3.165 -6.065 -0.791) 6.887 16.467 ( -0.425 1.135 2.189) 2.502 16.572 ( -1.973 0.141 -2.066) 2.860 16.707 ( -1.223 -1.567 -2.502) 3.195 16.813 ( -0.355 -2.235 -0.665) 2.359 17.202 ( -2.477 1.096 1.588) 3.140 17.320 ( -2.664 -2.815 0.998) 4.002 18.064 ( -2.894 3.799 3.286) 5.797 18.197 ( 1.656 0.208 -1.384) 2.168 18.213 ( 0.258 -0.704 1.176) 1.395 18.310 ( -1.186 -2.832 1.064) 3.249 18.546 ( -2.706 -2.984 0.840) 4.115 18.744 ( 3.283 -7.210 -4.063) 8.904 ======================= Grid point 223 (115/130) ======================= q-point: ( 0.40 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 7.794 2.700 -2.035) 8.496 1.244 ( 4.099 1.958 2.067) 4.991 1.331 ( 5.586 2.548 -5.050) 7.950 1.422 ( 3.532 -0.257 -7.359) 8.167 1.709 ( -7.044 3.131 -0.057) 7.709 1.812 ( -0.033 0.618 2.270) 2.353 1.865 ( 0.960 2.191 2.165) 3.226 1.946 ( 2.685 2.302 4.103) 5.416 2.029 ( 5.601 -1.008 2.142) 6.080 2.154 ( 4.483 -0.927 3.323) 5.656 2.247 ( 1.461 5.276 -0.771) 5.528 2.491 ( 2.566 -1.282 -1.127) 3.082 2.624 ( 2.583 2.496 -1.833) 4.033 2.799 ( 11.294 2.430 -0.258) 11.555 2.810 ( -3.026 -0.404 -4.274) 5.252 2.984 ( 16.300 -2.053 1.402) 16.489 3.272 ( -2.032 3.372 2.301) 4.560 3.463 ( -4.913 -0.783 5.713) 7.576 3.564 ( -3.306 1.045 2.574) 4.319 3.754 ( -0.738 -3.463 -2.435) 4.297 3.813 ( -0.980 2.010 2.723) 3.524 4.021 ( -3.783 -3.018 -3.399) 5.914 4.682 ( -0.612 2.055 3.528) 4.128 4.769 ( -0.854 -1.521 -0.018) 1.745 4.847 ( 0.659 3.027 -1.653) 3.511 5.020 ( -5.160 -1.281 -5.514) 7.660 5.110 ( 0.601 3.046 -2.826) 4.199 5.273 ( -5.487 -0.185 -0.881) 5.560 5.700 ( -3.271 0.097 1.206) 3.487 5.731 ( -2.764 -0.619 -1.152) 3.058 5.848 ( 1.543 -0.408 -0.206) 1.609 5.916 ( -1.709 -1.676 -1.246) 2.698 6.364 ( 1.765 3.828 1.719) 4.552 6.468 ( -1.320 0.902 -0.164) 1.607 7.066 ( 4.888 5.301 1.425) 7.350 7.182 ( -0.289 2.417 3.813) 4.523 7.250 ( 5.438 -0.513 2.097) 5.851 7.314 ( -0.708 0.235 2.192) 2.315 7.406 ( -0.460 0.617 -1.854) 2.008 7.672 ( -7.216 -6.543 -5.727) 11.299 7.972 ( 5.867 4.393 3.470) 8.109 8.322 ( 5.923 -5.376 8.686) 11.808 8.546 ( -6.460 6.299 -8.833) 12.627 8.826 ( -1.514 -1.989 -2.400) 3.465 8.974 ( 2.447 3.281 4.119) 5.807 9.074 ( -0.912 -1.214 1.664) 2.252 9.095 ( -1.087 -1.295 -0.516) 1.767 9.245 ( -3.250 -3.819 -3.096) 5.893 10.229 ( 0.056 0.570 0.216) 0.612 10.294 ( -2.579 -0.833 -0.074) 2.711 15.744 ( 1.483 1.158 2.652) 3.252 15.795 ( 4.260 -0.590 0.236) 4.308 16.090 ( 2.664 2.794 -7.128) 8.106 16.286 ( -4.063 -3.731 -7.969) 9.692 16.425 ( -4.453 0.369 1.557) 4.732 16.479 ( -3.499 -0.454 -4.165) 5.458 16.700 ( 1.619 -0.803 -1.588) 2.405 16.763 ( -2.624 -1.686 -2.052) 3.734 17.305 ( 6.932 1.618 12.798) 14.645 17.455 ( 9.491 -3.312 13.662) 16.962 17.993 ( -5.604 2.589 -0.486) 6.193 18.145 ( -6.720 -2.709 0.537) 7.265 18.239 ( 1.152 0.468 0.767) 1.461 18.304 ( 0.960 -0.313 -2.518) 2.713 18.512 ( -1.444 -2.346 1.096) 2.965 18.734 ( 0.740 -6.622 -9.444) 11.558 ======================= Grid point 224 (116/130) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 7.381 -0.389 -0.414) 7.403 1.286 ( -4.305 -1.873 -1.277) 4.865 1.340 ( -4.431 2.617 0.075) 5.146 1.367 ( -0.526 2.483 -4.219) 4.923 1.655 ( 1.678 4.407 3.700) 5.994 1.742 ( -1.823 1.376 -4.859) 5.369 1.954 ( 3.181 2.952 3.441) 5.539 2.006 ( 0.247 1.788 0.644) 1.916 2.089 ( -0.093 1.833 2.932) 3.459 2.191 ( 0.782 0.010 -5.145) 5.204 2.324 ( 1.453 2.815 8.787) 9.341 2.456 ( -2.402 -0.357 -3.567) 4.315 2.640 ( -1.098 2.388 0.090) 2.629 2.718 ( -0.374 1.252 -6.265) 6.399 3.075 ( 13.390 0.112 5.309) 14.405 3.153 ( -11.399 -0.198 -2.143) 11.601 3.243 ( 10.768 -3.456 2.691) 11.625 3.300 ( -12.852 -3.723 -2.345) 13.584 3.624 ( 3.126 3.760 8.446) 9.760 3.716 ( 0.593 1.964 1.504) 2.544 3.844 ( 1.295 0.047 -0.520) 1.396 3.905 ( -4.557 -2.147 -4.719) 6.902 4.718 ( 0.956 3.056 3.242) 4.557 4.765 ( 1.258 0.908 -0.976) 1.833 4.854 ( -0.347 0.866 0.663) 1.144 4.916 ( -1.919 0.138 -5.064) 5.418 5.131 ( -0.894 1.203 0.644) 1.631 5.191 ( 1.980 -0.146 -4.195) 4.642 5.672 ( -0.120 -0.694 1.301) 1.480 5.705 ( 0.839 -1.196 -1.999) 2.476 5.858 ( -1.199 -0.111 1.958) 2.299 5.890 ( -0.187 -1.435 -1.218) 1.892 6.411 ( 2.069 2.761 1.281) 3.680 6.437 ( -1.395 2.109 -1.229) 2.812 7.154 ( -4.559 3.112 2.144) 5.922 7.174 ( 5.601 4.073 1.006) 6.998 7.294 ( -2.843 -0.377 4.715) 5.519 7.366 ( 4.469 -0.688 -1.826) 4.876 7.408 ( 1.826 -0.961 2.150) 2.980 7.502 ( -6.248 -4.119 -5.662) 9.384 8.134 ( 7.466 5.710 7.759) 12.188 8.315 ( -7.713 6.915 -10.202) 14.539 8.546 ( 6.961 -5.162 10.119) 13.323 8.730 ( -5.118 -4.563 -7.915) 10.472 9.035 ( 1.276 0.635 2.315) 2.719 9.067 ( -0.698 -0.308 -1.236) 1.452 9.097 ( 0.797 -0.704 3.972) 4.111 9.179 ( -0.980 -1.617 -3.998) 4.423 10.245 ( 0.919 -0.387 0.529) 1.129 10.256 ( -0.845 -0.603 -0.516) 1.160 15.799 ( 1.783 0.887 3.843) 4.328 15.856 ( 1.572 -0.947 -1.288) 2.242 16.053 ( -1.171 1.457 -2.142) 2.843 16.114 ( -7.274 -0.740 -7.363) 10.376 16.378 ( -2.001 0.301 2.959) 3.585 16.449 ( 3.018 -1.327 -4.201) 5.339 16.709 ( -2.311 -0.644 0.642) 2.483 16.728 ( 1.338 -1.144 -1.198) 2.130 17.554 ( 9.406 2.200 13.310) 16.446 17.701 ( 4.148 -1.875 2.880) 5.386 17.902 ( 0.979 -0.078 2.171) 2.383 17.992 ( -8.100 -2.439 -3.149) 9.026 18.255 ( -0.084 0.504 1.018) 1.139 18.302 ( 0.779 0.029 -3.346) 3.435 18.506 ( -1.521 -2.805 4.969) 5.905 18.663 ( -1.001 -6.118 -10.031) 11.792 ======================= Grid point 225 (117/130) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -9.357 2.353 -2.635) 10.002 1.215 ( -9.138 3.188 3.702) 10.362 1.311 ( -2.795 -1.124 -2.388) 3.844 1.356 ( -1.537 -0.722 0.289) 1.723 1.723 ( 4.657 3.728 -1.221) 6.089 1.787 ( 6.375 2.814 3.898) 7.985 1.930 ( -4.624 3.057 -2.966) 6.286 1.999 ( -1.483 0.758 -1.864) 2.500 2.078 ( -3.701 2.720 1.493) 4.829 2.151 ( -1.182 0.010 -3.730) 3.913 2.289 ( -6.261 1.151 -0.042) 6.366 2.434 ( -2.457 -2.228 4.051) 5.235 2.595 ( -1.824 5.520 -0.368) 5.825 2.750 ( 3.819 0.584 0.997) 3.990 2.859 ( -15.202 -0.373 -4.696) 15.915 3.011 ( -14.863 -4.214 -2.596) 15.665 3.302 ( 4.189 3.226 -0.014) 5.287 3.423 ( 5.467 -2.222 8.357) 10.230 3.654 ( -1.682 1.494 -4.479) 5.012 3.755 ( 2.749 -1.841 0.354) 3.328 3.847 ( 2.695 -0.422 -1.683) 3.205 3.912 ( 2.837 -0.043 5.679) 6.348 4.721 ( -1.098 2.507 -0.841) 2.863 4.787 ( 0.083 -0.701 -0.958) 1.190 4.866 ( 1.359 3.572 -1.929) 4.281 4.899 ( 3.253 0.323 3.138) 4.531 5.103 ( 1.252 1.331 -1.464) 2.341 5.275 ( 5.760 -0.487 -1.122) 5.889 5.713 ( 3.687 -1.347 0.538) 3.962 5.737 ( 3.882 -0.646 -2.026) 4.426 5.831 ( -2.500 -0.655 1.460) 2.968 5.894 ( 0.529 -1.226 0.756) 1.535 6.404 ( -0.488 3.340 -2.202) 4.031 6.454 ( 1.425 1.710 1.203) 2.530 7.066 ( -5.650 3.631 1.110) 6.808 7.240 ( -5.998 -1.178 2.263) 6.518 7.248 ( 1.957 2.666 -2.330) 4.046 7.371 ( 0.064 1.037 -0.343) 1.094 7.408 ( -0.948 -2.125 -3.923) 4.561 7.534 ( 6.624 -3.250 7.365) 10.424 8.099 ( -8.045 7.092 -9.311) 14.203 8.328 ( 7.143 6.111 8.813) 12.886 8.557 ( -6.369 -5.450 -10.026) 13.068 8.727 ( 5.473 -4.425 7.395) 10.209 9.033 ( -1.440 0.719 -1.160) 1.984 9.080 ( 1.921 -0.726 0.283) 2.073 9.108 ( -0.555 -0.409 0.053) 0.691 9.195 ( 3.618 -2.007 0.412) 4.158 10.235 ( -0.139 0.455 -0.321) 0.574 10.291 ( 2.829 -0.749 0.203) 2.933 15.795 ( -3.473 0.621 -2.200) 4.157 15.841 ( -1.140 -0.603 -3.579) 3.804 15.965 ( -4.863 1.962 3.523) 6.318 16.102 ( 1.907 -2.276 8.589) 9.088 16.400 ( 2.786 1.274 2.044) 3.683 16.503 ( 5.086 -1.314 -3.714) 6.433 16.667 ( -2.721 0.045 1.520) 3.117 16.747 ( 1.083 -2.204 0.059) 2.457 17.566 ( -7.853 1.353 -12.636) 14.939 17.677 ( -4.213 -1.801 -5.700) 7.313 17.924 ( 4.793 2.177 4.819) 7.136 18.089 ( 7.564 -2.637 6.385) 10.244 18.249 ( -1.225 0.450 0.688) 1.476 18.305 ( 2.814 -1.257 -2.843) 4.193 18.516 ( -1.996 -3.585 7.507) 8.555 18.594 ( -0.612 -5.744 -3.939) 6.992 ======================= Grid point 226 (118/130) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -6.814 4.810 0.726) 8.372 1.074 ( -9.143 5.458 5.792) 12.122 1.221 ( -5.322 1.045 -0.603) 5.457 1.258 ( -6.841 -1.077 -0.210) 6.929 1.794 ( -7.664 1.702 -3.410) 8.559 1.837 ( 5.129 2.943 -1.259) 6.046 1.877 ( -7.047 -1.153 -0.465) 7.156 1.929 ( 1.615 2.936 1.767) 3.788 1.961 ( -4.561 1.454 -6.069) 7.730 2.099 ( -4.449 -0.910 -1.184) 4.693 2.206 ( -1.452 2.241 0.150) 2.675 2.363 ( -7.437 -3.408 3.273) 8.811 2.544 ( -8.284 4.468 2.701) 9.792 2.638 ( -2.502 3.402 -4.025) 5.834 2.725 ( -12.620 -2.208 -1.623) 12.914 2.821 ( 0.687 -1.218 1.288) 1.901 3.285 ( -2.028 6.283 0.835) 6.654 3.550 ( 3.024 -0.797 2.944) 4.295 3.583 ( -1.952 -1.724 -0.276) 2.619 3.769 ( -0.443 -5.102 -7.196) 8.832 3.876 ( 0.144 2.275 0.071) 2.281 4.035 ( 4.722 -2.095 5.711) 7.700 4.701 ( -0.501 0.219 1.928) 2.004 4.771 ( 0.369 -0.711 -0.602) 1.002 4.884 ( 3.157 3.852 -3.866) 6.305 5.053 ( 8.160 0.509 6.297) 10.320 5.160 ( 5.489 1.895 -2.104) 6.176 5.353 ( 3.004 -0.106 0.891) 3.135 5.733 ( -3.185 0.735 0.174) 3.274 5.817 ( 1.805 -0.683 -1.193) 2.268 5.836 ( 7.160 -1.537 -0.959) 7.386 5.923 ( 2.157 -2.166 2.271) 3.808 6.396 ( 1.468 3.781 -3.135) 5.126 6.478 ( 0.277 1.273 1.306) 1.845 6.981 ( -4.339 3.627 1.320) 5.807 7.125 ( -6.609 -0.409 0.132) 6.623 7.225 ( -1.500 2.294 -3.454) 4.410 7.364 ( -1.721 -1.219 -3.723) 4.279 7.397 ( 1.234 2.711 2.121) 3.657 7.707 ( 5.720 -5.572 7.103) 10.687 7.928 ( -4.481 5.524 -5.283) 8.860 8.346 ( -4.703 -5.824 -9.635) 12.202 8.543 ( 5.779 5.926 8.666) 11.984 8.827 ( 1.930 -1.999 2.293) 3.603 8.979 ( -2.388 3.054 -3.242) 5.054 9.116 ( 1.399 -0.963 -0.542) 1.783 9.123 ( 2.810 -1.695 -0.413) 3.308 9.266 ( 2.567 -4.451 2.156) 5.572 10.248 ( 1.959 2.004 -0.216) 2.811 10.352 ( 3.884 -0.444 -0.109) 3.911 15.714 ( -3.892 0.770 -0.771) 4.042 15.763 ( -3.167 -0.517 -3.779) 4.957 15.944 ( -2.773 3.103 5.858) 7.185 16.194 ( 0.103 -5.039 10.301) 11.468 16.486 ( 3.713 1.191 1.437) 4.156 16.560 ( 2.735 0.720 -1.446) 3.176 16.654 ( 0.745 -1.025 2.084) 2.439 16.776 ( 1.601 -2.883 1.750) 3.733 17.349 ( -6.075 1.297 -11.645) 13.199 17.484 ( -6.334 -3.092 -12.598) 14.436 18.058 ( 2.728 3.926 4.385) 6.488 18.164 ( -0.484 -0.392 2.315) 2.397 18.230 ( 0.127 0.329 -1.482) 1.523 18.340 ( 0.101 -3.058 -1.016) 3.223 18.549 ( 2.626 -4.852 0.276) 5.524 18.623 ( 2.923 -5.841 7.111) 9.655 ======================= Grid point 227 (119/130) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.779 7.868 5.417) 9.949 0.981 ( -6.066 6.038 7.935) 11.671 1.082 ( -8.573 0.416 1.779) 8.766 1.213 ( -0.725 1.605 4.642) 4.965 1.582 ( -10.125 1.239 -10.968) 14.978 1.642 ( -12.533 1.491 0.761) 12.644 1.821 ( -3.628 1.311 -2.883) 4.816 1.919 ( -1.508 1.206 -3.849) 4.306 1.960 ( -1.460 0.514 -2.721) 3.131 2.005 ( -2.294 -0.049 -1.800) 2.916 2.186 ( -3.277 -0.045 3.286) 4.641 2.261 ( -5.037 -2.667 0.393) 5.713 2.383 ( -8.327 3.696 4.142) 10.008 2.520 ( -5.698 0.475 -2.873) 6.399 2.681 ( 3.744 3.096 2.389) 5.414 2.799 ( -2.646 -2.186 -2.860) 4.467 3.326 ( 2.354 4.090 8.703) 9.900 3.487 ( -2.640 -3.387 -6.335) 7.653 3.646 ( 0.321 -0.305 -1.687) 1.745 3.705 ( 0.391 -3.506 0.752) 3.607 3.851 ( -2.828 3.778 0.971) 4.818 4.072 ( -1.216 -1.816 -2.910) 3.639 4.751 ( 2.140 -2.176 7.088) 7.717 4.817 ( 4.438 -2.381 0.776) 5.096 4.925 ( 3.883 5.640 -3.246) 7.578 5.220 ( 5.449 -0.570 2.956) 6.226 5.230 ( 2.752 2.314 -3.380) 4.935 5.411 ( 1.602 -0.006 3.759) 4.086 5.658 ( -3.356 2.219 0.131) 4.025 5.813 ( 0.203 -2.072 -2.706) 3.414 5.985 ( 8.377 -0.871 0.602) 8.443 5.998 ( 3.700 -1.957 2.465) 4.858 6.406 ( 1.357 3.357 -3.151) 4.800 6.482 ( -0.418 1.219 0.534) 1.395 6.935 ( -2.297 2.839 2.963) 4.703 7.028 ( -3.167 0.783 -0.321) 3.278 7.166 ( -2.034 2.305 -4.107) 5.130 7.298 ( -2.792 -1.102 -3.322) 4.477 7.420 ( -0.733 3.168 1.982) 3.808 7.755 ( -2.043 -2.741 -0.556) 3.464 7.908 ( 2.035 0.377 -0.019) 2.070 8.265 ( 1.730 -6.026 -0.616) 6.300 8.674 ( 1.996 4.745 2.957) 5.937 8.822 ( -1.008 3.224 -1.633) 3.752 8.943 ( 0.456 1.441 -1.220) 1.943 9.136 ( 1.192 -1.353 -1.384) 2.273 9.174 ( 3.342 -2.000 -1.458) 4.159 9.296 ( -0.978 -5.785 1.875) 6.159 10.301 ( 3.668 3.432 0.171) 5.026 10.425 ( 4.394 0.220 -1.152) 4.548 15.652 ( -2.874 0.523 0.565) 2.975 15.691 ( -3.113 -0.442 -1.310) 3.406 15.930 ( -1.587 3.590 2.742) 4.788 16.197 ( -5.355 -5.925 4.703) 9.268 16.495 ( -1.456 1.057 -1.972) 2.670 16.595 ( 0.256 0.524 -2.115) 2.194 16.707 ( 2.716 -1.681 2.618) 4.130 16.809 ( 0.379 -2.119 0.907) 2.336 17.255 ( 1.630 1.181 -0.395) 2.051 17.387 ( 2.696 -2.883 -1.223) 4.132 18.052 ( -3.959 3.149 1.149) 5.188 18.153 ( -1.987 -0.510 1.972) 2.846 18.234 ( 0.598 0.388 -2.436) 2.538 18.316 ( -1.500 -2.246 1.006) 2.882 18.581 ( -0.056 -4.277 1.730) 4.613 18.734 ( 5.336 -7.269 -1.444) 9.132 ======================= Grid point 228 (120/130) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -8.280 5.111 8.186) 12.715 0.934 ( -2.647 5.580 7.542) 9.748 1.017 ( -0.253 1.166 4.766) 4.913 1.230 ( -3.134 0.452 5.857) 6.658 1.358 ( -3.563 7.272 -10.085) 12.934 1.529 ( -0.563 4.281 3.773) 5.734 1.750 ( -2.715 0.957 -0.800) 2.988 1.801 ( -4.608 0.060 -12.806) 13.610 1.856 ( -4.625 2.169 -3.990) 6.482 1.952 ( -3.931 -0.196 -3.088) 5.003 2.123 ( -2.742 -0.240 1.474) 3.122 2.206 ( -4.177 -1.105 6.245) 7.594 2.353 ( -0.319 -0.686 7.141) 7.181 2.463 ( 0.358 -1.990 -0.865) 2.199 2.705 ( -3.787 -2.018 -4.417) 6.159 2.780 ( 4.407 2.091 1.249) 5.035 3.348 ( -4.136 -1.521 -0.456) 4.431 3.447 ( -0.397 -3.465 -4.652) 5.814 3.597 ( 0.625 3.185 -0.111) 3.247 3.735 ( -3.264 1.721 -0.350) 3.706 3.860 ( 4.528 0.925 5.893) 7.489 4.033 ( 0.033 -1.637 -1.034) 1.936 4.830 ( 0.593 -1.999 7.602) 7.882 4.904 ( 3.623 -3.228 0.596) 4.889 5.000 ( 6.646 4.837 -2.282) 8.530 5.219 ( 0.311 1.564 -4.104) 4.403 5.252 ( -2.163 0.758 -1.314) 2.642 5.369 ( -7.926 0.784 -0.377) 7.974 5.691 ( 4.331 1.251 3.331) 5.605 5.817 ( 1.870 -2.061 -1.852) 3.343 6.086 ( 3.881 -0.416 4.809) 6.194 6.135 ( 7.560 -0.791 1.157) 7.688 6.383 ( -2.382 2.519 -1.499) 3.776 6.465 ( -1.292 0.629 -2.697) 3.056 6.926 ( -1.433 2.535 4.574) 5.423 7.031 ( 2.473 0.050 1.426) 2.855 7.107 ( -0.950 2.326 -4.434) 5.096 7.233 ( -1.975 -1.387 -2.246) 3.297 7.395 ( -2.499 1.482 1.029) 3.082 7.660 ( -5.451 -5.433 -7.641) 10.845 7.980 ( 5.235 5.147 5.740) 9.319 8.387 ( 6.826 -5.708 7.642) 11.729 8.594 ( -5.921 5.727 -8.569) 11.887 8.831 ( -0.583 -0.071 -0.150) 0.606 8.968 ( 2.723 2.191 0.482) 3.528 9.131 ( -0.608 -1.071 -2.666) 2.937 9.220 ( 2.746 -2.327 -1.540) 3.915 9.265 ( -2.773 -4.705 1.240) 5.600 10.371 ( 3.222 3.962 0.996) 5.203 10.481 ( 2.666 1.069 -2.968) 4.131 15.611 ( -2.159 -0.082 0.759) 2.290 15.634 ( -2.251 -0.315 -0.590) 2.349 15.930 ( 0.176 3.030 1.512) 3.391 16.095 ( -6.215 -2.982 0.181) 6.895 16.444 ( -1.960 1.123 -2.064) 3.060 16.527 ( -3.508 -0.083 -5.627) 6.631 16.765 ( 1.562 -2.482 2.587) 3.911 16.817 ( 0.906 -2.895 -0.330) 3.052 17.393 ( 7.955 1.606 10.523) 13.289 17.550 ( 9.986 -3.103 10.034) 14.493 17.970 ( -4.273 2.669 -1.448) 5.242 18.115 ( -3.682 -1.987 1.198) 4.352 18.217 ( -1.194 0.339 0.845) 1.501 18.303 ( -0.501 -0.387 -0.830) 1.044 18.566 ( -2.337 -4.274 1.004) 4.974 18.768 ( 1.665 -8.354 -8.045) 11.716 ======================= Grid point 229 (121/130) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.425 2.221 3.652) 4.296 0.907 ( 0.923 -1.738 -0.533) 2.039 1.174 ( 2.748 3.729 5.272) 7.018 1.224 ( 2.067 -1.156 1.553) 2.832 1.510 ( 0.119 7.284 1.363) 7.412 1.610 ( -1.357 -2.697 -4.788) 5.660 1.736 ( -1.594 4.824 0.024) 5.081 1.762 ( 3.427 1.730 -1.233) 4.033 1.797 ( -4.696 0.456 0.032) 4.718 1.839 ( -0.190 -1.638 -3.232) 3.628 2.162 ( 2.974 1.815 2.202) 4.122 2.182 ( -0.785 0.952 1.964) 2.319 2.271 ( 0.678 -4.152 -0.982) 4.320 2.309 ( -2.352 -6.673 -4.034) 8.144 2.788 ( 2.838 4.500 5.237) 7.465 2.844 ( 1.058 -0.570 1.156) 1.667 3.237 ( -3.027 0.218 -2.878) 4.183 3.280 ( -3.282 -3.620 -6.147) 7.852 3.698 ( -0.822 2.805 0.189) 2.929 3.723 ( 1.331 0.546 -2.136) 2.575 3.995 ( 2.867 -0.022 4.801) 5.592 4.008 ( 0.712 -1.456 3.421) 3.786 4.852 ( -1.798 1.023 4.459) 4.915 4.892 ( 0.606 -2.875 0.868) 3.063 5.158 ( 0.912 2.159 0.449) 2.386 5.183 ( -1.527 -0.285 -1.018) 1.857 5.235 ( -3.299 2.065 -2.728) 4.753 5.262 ( 3.326 -0.678 -4.343) 5.512 5.771 ( 0.036 1.342 2.049) 2.449 5.805 ( 1.595 -1.891 -1.265) 2.779 6.223 ( 4.824 1.428 4.238) 6.578 6.250 ( 4.993 -1.042 1.726) 5.384 6.341 ( -5.137 1.491 -0.426) 5.366 6.370 ( -5.088 -1.211 -3.018) 6.038 6.999 ( -0.114 2.692 4.332) 5.101 7.045 ( 0.227 -1.578 1.609) 2.265 7.128 ( -0.019 1.401 -2.147) 2.564 7.164 ( -0.011 -1.847 -3.660) 4.099 7.384 ( -0.612 0.980 -0.468) 1.247 7.424 ( -2.560 -3.062 -4.617) 6.103 8.315 ( 8.363 7.671 10.474) 15.443 8.452 ( 5.424 -4.354 6.573) 9.569 8.538 ( -5.325 4.259 -6.515) 9.431 8.652 ( -7.109 -5.581 -8.150) 12.171 9.063 ( 0.203 1.815 2.093) 2.778 9.091 ( -0.854 -0.495 0.019) 0.987 9.185 ( 0.011 -0.340 -0.825) 0.892 9.210 ( 1.895 -2.283 -2.537) 3.904 10.474 ( 0.041 2.010 0.714) 2.133 10.496 ( -0.268 -0.083 -1.470) 1.496 15.591 ( -0.062 0.145 0.305) 0.344 15.598 ( -0.072 -0.461 -0.257) 0.533 15.989 ( -0.188 1.280 2.180) 2.535 16.006 ( -1.172 -0.472 0.720) 1.454 16.426 ( -0.935 1.024 -2.013) 2.444 16.445 ( -0.102 -0.699 -3.732) 3.798 16.756 ( -0.128 -0.575 1.154) 1.296 16.770 ( 0.155 -1.964 -0.247) 1.986 17.663 ( 7.184 2.709 9.332) 12.085 17.715 ( 5.597 -2.349 5.905) 8.468 17.944 ( -0.751 0.944 -0.680) 1.385 17.976 ( -4.147 -2.126 -2.359) 5.223 18.245 ( -0.800 2.169 3.684) 4.349 18.284 ( -0.472 -1.222 1.675) 2.127 18.483 ( -1.890 0.687 -2.905) 3.533 18.554 ( -1.741 -5.835 -7.933) 10.001 ======================= Grid point 230 (122/130) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 10.184 1.977 -0.805) 10.405 1.024 ( 10.980 -0.428 -0.033) 10.988 1.240 ( 2.108 2.145 -5.430) 6.207 1.255 ( 5.094 0.838 -1.942) 5.516 1.535 ( -2.318 4.009 -6.847) 8.266 1.575 ( 3.406 1.770 8.042) 8.911 1.621 ( -6.480 2.374 -0.985) 6.971 1.698 ( -3.229 -3.211 4.210) 6.202 1.887 ( 6.492 3.150 0.404) 7.227 1.917 ( 5.857 0.074 0.641) 5.893 2.164 ( 1.309 1.971 -1.480) 2.791 2.235 ( 1.980 -4.060 -2.669) 5.247 2.339 ( 7.965 -2.427 0.733) 8.359 2.352 ( 5.944 -2.924 2.480) 7.073 2.808 ( -2.369 3.646 -5.442) 6.966 2.835 ( -0.608 1.225 -0.136) 1.374 3.232 ( 0.668 -1.641 4.063) 4.432 3.249 ( 2.010 -3.205 4.204) 5.655 3.679 ( -0.420 4.186 0.446) 4.231 3.741 ( 0.858 -1.859 -1.054) 2.303 3.995 ( -1.864 2.028 -2.064) 3.442 4.037 ( -0.416 -1.748 -1.762) 2.517 4.817 ( -3.900 1.303 2.738) 4.940 4.869 ( -3.145 -3.871 0.169) 4.991 5.099 ( -3.459 4.162 -0.351) 5.423 5.155 ( -0.698 -1.370 2.084) 2.590 5.279 ( 4.497 3.851 -0.451) 5.938 5.355 ( 6.569 -3.507 -1.739) 7.647 5.745 ( -2.667 2.246 -0.582) 3.535 5.793 ( -1.516 -2.297 -2.477) 3.702 6.173 ( -7.564 1.092 -2.758) 8.125 6.193 ( -6.660 -0.870 -5.309) 8.561 6.351 ( 2.097 2.470 5.482) 6.368 6.394 ( 3.220 -1.728 4.210) 5.575 7.016 ( -0.336 1.621 2.000) 2.596 7.045 ( -1.048 -1.125 0.144) 1.544 7.105 ( 0.130 2.581 -1.055) 2.792 7.159 ( 1.360 -2.621 -0.684) 3.031 7.416 ( 2.811 0.147 0.296) 2.830 7.439 ( 4.431 -2.079 3.321) 5.915 8.295 ( -8.600 7.431 -10.369) 15.386 8.434 ( -7.248 -5.724 -8.559) 12.592 8.542 ( 6.091 6.095 8.794) 12.312 8.667 ( 6.203 -5.718 8.302) 11.836 9.058 ( -1.593 1.824 0.611) 2.497 9.080 ( -0.900 -0.390 1.156) 1.516 9.171 ( -0.760 0.879 -1.487) 1.887 9.222 ( 1.369 -3.682 -2.752) 4.797 10.443 ( -3.576 1.928 0.116) 4.065 10.463 ( -2.634 -0.015 0.042) 2.635 15.616 ( 2.380 0.166 0.231) 2.397 15.622 ( 2.686 -0.392 -0.267) 2.728 15.995 ( 0.239 1.977 1.554) 2.526 16.029 ( 2.300 -1.343 2.576) 3.705 16.424 ( 1.385 1.834 0.442) 2.340 16.461 ( 2.986 -1.639 -0.709) 3.479 16.752 ( -1.015 -0.740 0.779) 1.478 16.763 ( -0.654 -1.734 -0.299) 1.877 17.643 ( -8.245 1.532 -9.564) 12.720 17.676 ( -7.274 -1.644 -6.803) 10.094 17.993 ( 6.159 3.064 2.742) 7.405 18.058 ( 7.477 -3.337 2.690) 8.618 18.239 ( -2.348 2.375 2.757) 4.331 18.280 ( -1.024 -1.287 1.195) 2.033 18.472 ( 0.479 -1.719 4.470) 4.813 18.501 ( -0.070 -4.135 -1.110) 4.282 ======================= Grid point 231 (123/130) ======================= q-point: ( 0.20 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.690 4.079 -3.550) 7.158 1.181 ( 5.580 -1.249 -4.609) 7.344 1.255 ( 5.149 5.073 -10.724) 12.933 1.345 ( 4.828 -3.610 -10.859) 12.420 1.490 ( 4.579 6.627 3.547) 8.801 1.592 ( 5.807 -3.199 2.815) 7.203 1.720 ( 3.282 0.848 10.875) 11.391 1.747 ( 3.455 -1.516 8.057) 8.896 1.985 ( 3.109 2.295 -0.173) 3.868 2.010 ( 3.893 0.293 0.184) 3.908 2.215 ( 5.361 1.212 -2.019) 5.855 2.264 ( 4.397 -3.486 -4.826) 7.401 2.478 ( 6.367 1.708 3.503) 7.465 2.512 ( 8.797 -1.569 0.714) 8.964 2.760 ( 1.134 2.837 -2.860) 4.185 2.795 ( -0.465 -0.215 -4.833) 4.860 3.293 ( 1.437 -0.572 6.505) 6.686 3.329 ( 2.095 -3.750 5.349) 6.860 3.682 ( -0.147 3.101 -0.984) 3.257 3.727 ( -1.754 -1.344 -1.190) 2.510 3.946 ( -1.086 3.085 -1.819) 3.743 3.998 ( -1.237 -1.856 -0.756) 2.355 4.763 ( -3.203 0.705 0.854) 3.389 4.802 ( -3.318 -3.149 -1.582) 4.841 5.047 ( -2.851 5.896 -0.316) 6.556 5.148 ( -2.475 -3.850 1.494) 4.815 5.318 ( -0.442 4.426 -1.130) 4.590 5.406 ( -1.199 -4.062 -0.858) 4.321 5.716 ( 1.489 1.722 -1.965) 3.008 5.750 ( -0.610 -1.695 -1.642) 2.438 6.017 ( -7.720 1.290 -1.819) 8.035 6.043 ( -6.152 -1.299 -3.361) 7.130 6.399 ( -0.057 3.246 3.811) 5.007 6.452 ( 0.746 -1.920 2.740) 3.428 7.027 ( 0.975 1.319 -0.546) 1.729 7.039 ( 2.118 0.015 0.472) 2.170 7.143 ( 2.615 2.963 2.156) 4.501 7.201 ( 2.521 -2.766 1.848) 4.174 7.481 ( 2.673 2.591 1.783) 4.128 7.554 ( 4.185 -4.683 5.453) 8.317 8.093 ( -6.270 6.888 -8.172) 12.391 8.232 ( -6.996 -6.796 -8.462) 12.913 8.703 ( 4.558 5.240 6.771) 9.699 8.792 ( 2.822 -3.517 4.162) 6.137 9.028 ( -1.586 3.580 0.081) 3.917 9.071 ( -1.254 -1.362 2.466) 3.084 9.138 ( -1.595 1.730 -1.823) 2.976 9.220 ( 0.315 -5.564 -2.872) 6.269 10.366 ( -4.574 2.473 0.030) 5.199 10.401 ( -4.155 -0.971 0.445) 4.290 15.668 ( 3.024 0.383 -0.135) 3.052 15.675 ( 3.157 -0.376 -0.658) 3.247 16.037 ( 3.383 3.879 1.203) 5.286 16.116 ( 5.087 -4.032 2.540) 6.971 16.470 ( 2.106 2.426 2.078) 3.826 16.523 ( 2.945 -2.529 0.950) 3.996 16.733 ( -1.130 0.312 0.252) 1.199 16.757 ( -0.014 -1.831 1.173) 2.175 17.395 ( -10.047 1.909 -10.398) 14.584 17.441 ( -10.044 -2.610 -10.484) 14.752 18.116 ( 4.312 3.450 1.906) 5.842 18.167 ( 3.545 -1.610 -0.007) 3.894 18.211 ( -1.916 2.048 1.865) 3.368 18.261 ( -1.780 -2.730 1.512) 3.593 18.518 ( 0.470 -1.261 2.630) 2.954 18.546 ( 3.631 -4.045 3.523) 6.478 ======================= Grid point 232 (124/130) ======================= q-point: ( 0.30 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.776 5.076 -4.379) 6.935 1.217 ( 0.959 -2.273 -2.244) 3.335 1.297 ( 7.836 3.615 -9.308) 12.693 1.352 ( 6.832 -1.826 -11.282) 13.315 1.689 ( 8.925 3.620 6.790) 11.784 1.764 ( 6.962 -3.504 3.950) 8.738 1.836 ( 2.875 1.626 8.531) 9.149 1.866 ( 2.421 -1.547 6.273) 6.899 1.992 ( -0.142 3.298 -1.221) 3.519 2.051 ( 1.510 -1.998 -0.242) 2.516 2.304 ( 4.278 2.127 -2.086) 5.213 2.337 ( 6.796 -1.406 -1.744) 7.156 2.636 ( 6.902 2.445 2.242) 7.658 2.668 ( 10.625 -0.573 -1.815) 10.794 2.770 ( 2.425 2.122 -4.652) 5.660 2.804 ( 2.873 -1.298 -0.862) 3.269 3.343 ( 0.106 2.181 5.028) 5.481 3.407 ( 2.334 -3.700 6.865) 8.141 3.637 ( -2.641 1.770 -3.251) 4.547 3.674 ( -1.657 -1.937 -3.472) 4.307 3.926 ( -2.130 3.721 1.865) 4.676 3.998 ( -0.963 -3.254 2.463) 4.193 4.717 ( -1.915 0.660 0.453) 2.076 4.743 ( -1.542 -2.051 -1.391) 2.919 4.979 ( -3.895 5.019 -1.319) 6.489 5.072 ( -5.494 -4.095 -0.954) 6.918 5.262 ( -3.267 4.569 -2.968) 6.353 5.338 ( -4.004 -2.792 -1.420) 5.084 5.735 ( -0.233 0.365 -0.490) 0.654 5.755 ( 0.720 -1.734 -1.153) 2.204 5.886 ( -4.562 2.587 -1.290) 5.401 5.934 ( -3.707 -2.173 -2.038) 4.756 6.414 ( -0.255 3.436 2.594) 4.312 6.467 ( -0.350 -1.810 1.732) 2.530 7.073 ( 4.056 3.105 0.194) 5.112 7.112 ( 5.010 -0.848 1.025) 5.183 7.205 ( 2.136 2.723 2.742) 4.416 7.259 ( 1.945 -2.481 2.434) 3.983 7.505 ( -1.307 4.551 0.238) 4.741 7.620 ( -0.912 -6.802 2.073) 7.169 7.998 ( 0.208 5.758 -1.584) 5.976 8.119 ( -0.660 -6.052 -0.983) 6.167 8.763 ( -0.739 3.667 -1.282) 3.954 8.821 ( -0.498 -1.987 -0.682) 2.159 9.020 ( 0.142 5.053 2.545) 5.660 9.069 ( -1.004 -1.264 2.709) 3.154 9.096 ( -1.521 1.343 -1.605) 2.587 9.193 ( -1.293 -6.554 -2.573) 7.158 10.291 ( -3.452 2.205 0.070) 4.097 10.329 ( -3.803 -1.447 0.229) 4.076 15.720 ( 2.360 0.365 0.541) 2.449 15.724 ( 3.059 -0.077 -0.627) 3.123 16.115 ( 4.780 4.334 -2.339) 6.864 16.211 ( 4.000 -5.240 -1.728) 6.814 16.498 ( -0.872 2.017 0.890) 2.370 16.544 ( -1.502 -2.354 -0.917) 2.939 16.717 ( -0.735 1.954 -1.201) 2.408 16.764 ( -0.519 -2.547 -0.825) 2.727 17.230 ( -2.401 1.669 1.418) 3.250 17.269 ( -2.506 -2.277 1.181) 3.586 18.132 ( -4.265 2.902 3.514) 6.241 18.179 ( -3.251 -1.796 2.096) 4.265 18.223 ( 2.257 1.350 -0.357) 2.654 18.259 ( 1.512 -2.218 -0.373) 2.711 18.531 ( 0.239 1.766 -1.055) 2.071 18.610 ( 2.713 -5.715 -2.762) 6.903 ======================= Grid point 233 (125/130) ======================= q-point: ( 0.40 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 4.481 3.234 -1.608) 5.756 1.236 ( 2.040 -2.294 0.321) 3.086 1.375 ( 5.610 1.973 -7.221) 9.354 1.407 ( 4.872 -1.199 -8.569) 9.930 1.775 ( -4.768 2.794 1.426) 5.707 1.811 ( -2.798 -0.861 2.061) 3.580 1.912 ( 4.624 2.533 3.393) 6.270 1.961 ( 4.893 -1.899 2.809) 5.953 2.042 ( 4.135 3.349 4.028) 6.674 2.113 ( 3.558 -3.080 2.774) 5.463 2.354 ( 2.582 4.941 -0.413) 5.590 2.439 ( 3.605 -3.520 -0.943) 5.126 2.697 ( 0.359 4.169 -0.174) 4.188 2.773 ( -1.173 -3.056 -1.197) 3.485 2.863 ( 11.736 3.464 -3.232) 12.656 2.930 ( 13.348 -3.116 -2.331) 13.904 3.348 ( -5.476 3.890 3.816) 7.725 3.420 ( -7.322 -3.114 3.982) 8.898 3.607 ( 2.177 2.933 1.942) 4.137 3.676 ( 3.993 -3.834 -0.203) 5.539 3.873 ( -4.092 3.572 0.807) 5.492 3.950 ( -4.476 -3.905 -1.394) 6.101 4.718 ( 1.008 1.503 2.613) 3.178 4.743 ( 1.192 -1.159 1.772) 2.430 4.907 ( -2.710 3.055 -1.200) 4.257 4.969 ( -4.233 -3.078 -2.170) 5.666 5.191 ( -1.402 4.053 -4.279) 6.058 5.253 ( -4.010 -1.981 -2.345) 5.050 5.699 ( -2.658 0.168 -0.889) 2.808 5.712 ( -2.558 -1.027 -1.989) 3.399 5.857 ( 0.469 1.101 -0.316) 1.238 5.885 ( -1.262 -1.531 -0.496) 2.045 6.431 ( 0.644 2.714 1.617) 3.224 6.468 ( -0.401 -0.942 0.880) 1.350 7.160 ( 4.819 3.846 0.746) 6.210 7.215 ( 4.318 -1.141 2.381) 5.061 7.248 ( 1.003 2.078 1.842) 2.953 7.295 ( 0.658 -1.943 1.511) 2.547 7.448 ( -3.438 3.589 -1.614) 5.226 7.545 ( -5.679 -5.871 -2.903) 8.668 8.078 ( 6.100 5.986 5.985) 10.434 8.203 ( 6.192 -6.291 7.956) 11.884 8.669 ( -5.419 5.693 -7.891) 11.137 8.766 ( -3.628 -3.916 -5.415) 7.604 9.047 ( -0.696 2.786 1.912) 3.450 9.062 ( -0.302 0.036 2.696) 2.713 9.077 ( 0.181 0.572 -0.809) 1.007 9.155 ( -1.004 -4.854 -1.373) 5.143 10.248 ( -1.357 1.222 0.133) 1.831 10.273 ( -2.340 -1.202 0.023) 2.630 15.766 ( 2.137 0.946 1.724) 2.904 15.782 ( 3.136 -0.707 0.777) 3.307 16.148 ( 1.500 3.069 -7.121) 7.898 16.214 ( -0.872 -3.448 -7.269) 8.092 16.438 ( -4.599 0.931 -0.441) 4.713 16.461 ( -4.439 -1.178 -2.682) 5.319 16.703 ( 0.541 0.921 -1.257) 1.650 16.730 ( -1.132 -1.609 -1.804) 2.669 17.343 ( 7.796 2.221 13.059) 15.370 17.394 ( 8.695 -2.804 13.370) 16.193 18.042 ( -6.747 2.411 0.336) 7.173 18.092 ( -7.149 -2.562 0.749) 7.631 18.257 ( 1.363 1.249 0.183) 1.858 18.286 ( 1.494 -1.473 -0.818) 2.252 18.515 ( -0.201 2.707 -3.610) 4.517 18.606 ( 0.518 -5.857 -7.137) 9.248 ======================= Grid point 234 (126/130) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 2.988 -0.097 -1.453) 3.324 1.257 ( -0.855 -1.011 -1.843) 2.269 1.379 ( -2.501 1.365 -1.379) 3.166 1.393 ( -1.274 0.124 -3.240) 3.483 1.727 ( 0.742 2.552 1.076) 2.867 1.755 ( -0.631 -0.291 -1.615) 1.758 2.008 ( 2.584 2.323 1.686) 3.862 2.034 ( 1.490 0.165 -0.697) 1.653 2.122 ( 1.016 2.068 4.134) 4.733 2.169 ( 0.941 -2.082 -0.040) 2.285 2.384 ( -1.258 2.929 3.616) 4.821 2.433 ( -2.766 -1.890 -0.649) 3.413 2.695 ( 0.412 2.661 -1.421) 3.044 2.729 ( -0.010 -0.466 -3.991) 4.018 3.099 ( 11.128 2.223 3.392) 11.844 3.149 ( -2.033 -1.469 0.131) 2.511 3.187 ( 1.042 -0.531 -0.131) 1.177 3.227 ( -11.350 -3.328 -2.423) 12.074 3.698 ( 1.111 3.353 5.261) 6.337 3.739 ( 1.531 -0.240 1.572) 2.207 3.840 ( -0.011 0.009 0.745) 0.745 3.860 ( -2.283 -1.917 -1.674) 3.419 4.765 ( 1.170 1.518 2.109) 2.849 4.778 ( 0.976 0.154 0.854) 1.306 4.875 ( -0.413 1.282 0.372) 1.397 4.902 ( -1.314 -1.232 -1.637) 2.434 5.163 ( -0.440 1.598 -2.666) 3.139 5.186 ( 1.225 -0.590 -4.112) 4.331 5.663 ( -0.116 0.089 -0.388) 0.414 5.678 ( 0.364 -1.248 -1.797) 2.218 5.860 ( -0.778 0.254 0.747) 1.108 5.869 ( -0.102 -0.676 -0.203) 0.713 6.454 ( 0.873 1.386 0.917) 1.877 6.464 ( -0.380 0.443 -0.022) 0.584 7.216 ( -3.105 3.056 3.246) 5.433 7.261 ( 4.040 4.134 -1.480) 5.967 7.270 ( -3.080 -1.795 4.644) 5.854 7.336 ( 4.619 -2.603 -2.115) 5.708 7.399 ( -0.473 0.326 0.096) 0.583 7.428 ( -4.179 -2.756 -2.129) 5.440 8.261 ( 7.697 6.732 9.435) 13.914 8.383 ( 4.717 -3.864 5.770) 8.395 8.503 ( -4.413 4.485 -5.913) 8.634 8.623 ( -6.332 -5.985 -9.369) 12.794 9.041 ( -0.432 0.299 1.161) 1.274 9.053 ( -0.664 -0.887 0.289) 1.145 9.107 ( 1.296 1.426 1.439) 2.405 9.142 ( 0.478 -1.911 -1.759) 2.641 10.242 ( 0.369 0.056 0.232) 0.439 10.246 ( -0.317 -0.341 -0.180) 0.500 15.817 ( 1.637 0.940 2.247) 2.935 15.837 ( 1.748 -0.983 0.469) 2.060 16.079 ( -3.657 1.122 -3.579) 5.238 16.099 ( -5.414 -0.832 -5.291) 7.616 16.391 ( -0.085 1.059 0.276) 1.098 16.419 ( 1.732 -1.584 -2.468) 3.406 16.704 ( -0.948 0.095 0.217) 0.977 16.711 ( 0.090 -0.592 -0.536) 0.804 17.602 ( 9.354 2.594 11.800) 15.279 17.655 ( 8.023 -2.578 8.747) 12.146 17.914 ( -4.151 1.167 -1.785) 4.667 17.947 ( -6.703 -2.035 -3.082) 7.653 18.272 ( -0.020 1.189 0.815) 1.442 18.296 ( 0.157 -0.843 -0.945) 1.276 18.486 ( -1.058 1.188 -1.064) 1.914 18.550 ( -1.150 -4.813 -6.715) 8.341 ======================= Grid point 235 (127/130) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -6.106 2.952 -2.193) 7.128 1.226 ( -4.554 -2.779 -0.420) 5.352 1.303 ( -4.793 1.961 0.515) 5.204 1.341 ( -4.275 -1.393 0.528) 4.527 1.790 ( 5.156 2.480 0.048) 5.722 1.815 ( 5.668 0.030 1.925) 5.986 1.987 ( -3.768 2.350 -4.036) 6.001 2.011 ( -2.538 0.031 -3.319) 4.179 2.118 ( -3.449 1.418 -0.439) 3.755 2.142 ( -2.449 -0.943 -1.993) 3.296 2.325 ( -6.141 2.423 2.703) 7.134 2.380 ( -4.802 -2.925 4.367) 7.119 2.698 ( 0.689 4.140 -0.313) 4.208 2.749 ( 2.683 -0.988 0.370) 2.883 2.872 ( -14.681 1.775 -3.326) 15.158 2.930 ( -14.986 -3.733 -2.599) 15.661 3.354 ( 8.493 1.976 2.490) 9.068 3.387 ( 7.866 -1.516 5.782) 9.880 3.679 ( -4.558 1.277 -3.149) 5.685 3.713 ( -1.855 -2.097 -1.285) 3.081 3.860 ( 2.759 1.506 1.052) 3.315 3.894 ( 2.732 -1.567 3.128) 4.438 4.758 ( -1.668 1.294 -1.308) 2.483 4.776 ( -1.323 -0.604 -1.079) 1.811 4.903 ( 2.119 0.803 -0.294) 2.285 4.912 ( 3.514 0.209 2.636) 4.398 5.163 ( 3.133 4.230 -1.839) 5.576 5.242 ( 5.180 -2.994 -1.527) 6.175 5.693 ( 3.274 -0.246 -0.155) 3.287 5.707 ( 3.949 -1.528 -1.396) 4.458 5.843 ( -1.427 1.307 0.987) 2.172 5.870 ( -0.139 -1.284 0.787) 1.513 6.456 ( 0.067 1.769 -0.848) 1.963 6.473 ( 0.737 0.101 0.416) 0.852 7.141 ( -5.843 3.583 1.871) 7.105 7.203 ( -6.127 -2.510 2.216) 6.982 7.304 ( 0.855 2.804 -2.556) 3.889 7.358 ( 0.146 -2.646 -3.028) 4.024 7.406 ( 2.069 2.379 2.025) 3.747 7.466 ( 4.708 -3.407 4.345) 7.257 8.249 ( -7.707 7.633 -10.696) 15.234 8.385 ( -4.157 -4.345 -7.105) 9.308 8.506 ( 4.152 4.158 5.773) 8.237 8.623 ( 6.510 -5.868 8.809) 12.426 9.044 ( -0.072 0.545 1.204) 1.323 9.060 ( 0.786 -1.019 1.093) 1.688 9.119 ( 0.245 1.255 -1.741) 2.160 9.153 ( 1.772 -2.043 -1.490) 3.088 10.251 ( 1.331 1.048 -0.130) 1.699 10.272 ( 2.451 -1.044 0.074) 2.665 15.809 ( -2.820 0.779 -2.498) 3.846 15.826 ( -2.043 -0.835 -3.357) 4.018 16.008 ( -3.032 2.269 5.548) 6.717 16.055 ( -0.807 -2.353 7.061) 7.486 16.431 ( 4.082 1.759 -0.113) 4.446 16.469 ( 4.971 -1.961 -2.249) 5.797 16.680 ( -1.840 1.124 1.015) 2.383 16.708 ( -0.412 -1.673 0.591) 1.821 17.598 ( -7.600 1.808 -11.511) 13.912 17.637 ( -6.651 -2.024 -9.520) 11.788 17.975 ( 8.030 2.809 7.223) 11.160 18.033 ( 8.856 -2.917 7.311) 11.848 18.265 ( -1.280 1.048 0.359) 1.692 18.285 ( -0.143 -0.897 -1.173) 1.484 18.469 ( -1.462 -0.628 2.906) 3.313 18.499 ( -0.965 -3.453 -1.050) 3.735 ======================= Grid point 236 (128/130) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -4.677 5.118 2.097) 7.243 1.135 ( -6.520 -0.829 5.642) 8.662 1.213 ( -4.260 0.039 -1.031) 4.383 1.236 ( -7.121 -1.121 0.368) 7.218 1.822 ( -6.960 1.208 -3.493) 7.881 1.846 ( -7.186 -1.248 -4.120) 8.377 1.915 ( 3.658 3.372 -1.309) 5.145 1.956 ( 1.978 -0.560 -2.516) 3.249 2.006 ( -5.264 3.199 -3.271) 6.974 2.069 ( -4.402 -2.415 -1.406) 5.214 2.250 ( -4.072 2.136 3.182) 5.592 2.297 ( -7.073 -2.816 3.470) 8.366 2.607 ( -11.712 2.556 1.719) 12.111 2.664 ( -12.038 -3.201 -0.008) 12.456 2.728 ( 1.179 4.607 -1.497) 4.986 2.797 ( 0.988 -2.052 0.661) 2.372 3.412 ( -1.762 5.936 0.555) 6.217 3.508 ( -0.272 -3.494 1.603) 3.854 3.582 ( -0.445 1.954 -0.797) 2.156 3.659 ( -0.734 -5.302 -6.000) 8.041 3.928 ( 2.182 2.792 2.061) 4.099 3.985 ( 3.547 -2.793 4.365) 6.280 4.715 ( -1.419 1.272 -0.225) 1.919 4.746 ( -0.349 -1.573 -1.207) 2.013 4.964 ( 4.445 3.702 0.081) 5.785 5.028 ( 6.413 -2.558 3.267) 7.638 5.237 ( 5.291 4.886 -0.946) 7.264 5.322 ( 4.000 -3.113 -0.038) 5.069 5.741 ( 0.627 0.633 -1.256) 1.539 5.771 ( 2.490 -2.308 -2.423) 4.171 5.852 ( 3.430 1.696 1.798) 4.228 5.887 ( 1.755 -1.689 2.488) 3.482 6.458 ( 0.945 2.321 -1.597) 2.971 6.486 ( 0.556 -0.492 -0.051) 0.744 7.050 ( -5.235 3.123 1.989) 6.412 7.101 ( -5.921 -1.966 1.527) 6.423 7.275 ( -1.465 2.620 -3.352) 4.500 7.326 ( -1.475 -2.369 -3.458) 4.444 7.475 ( 2.739 4.922 3.120) 6.439 7.587 ( 4.500 -6.032 4.799) 8.926 8.062 ( -5.342 7.356 -7.882) 12.032 8.211 ( -5.347 -7.307 -9.400) 13.051 8.665 ( 5.275 5.801 7.708) 10.995 8.765 ( 3.837 -4.068 5.216) 7.647 9.045 ( -0.941 3.158 0.594) 3.349 9.089 ( 1.515 -1.528 1.016) 2.380 9.115 ( 1.558 0.952 -2.985) 3.500 9.172 ( 1.220 -4.440 -1.267) 4.776 10.293 ( 3.394 2.240 -0.100) 4.068 10.332 ( 4.045 -1.540 -0.066) 4.329 15.730 ( -3.732 0.893 -1.444) 4.100 15.748 ( -3.448 -0.856 -2.456) 4.319 16.014 ( -2.126 3.854 6.849) 8.141 16.098 ( -1.294 -4.513 8.308) 9.543 16.514 ( 3.758 1.612 -0.281) 4.099 16.548 ( 4.149 -1.582 -1.500) 4.686 16.668 ( 0.035 2.083 2.804) 3.494 16.719 ( 1.002 -2.777 2.610) 3.940 17.382 ( -6.171 1.956 -12.003) 13.638 17.427 ( -6.239 -2.556 -12.365) 14.084 18.126 ( 1.860 2.598 4.499) 5.518 18.157 ( 0.461 -0.619 3.385) 3.472 18.245 ( 0.577 1.277 -1.912) 2.371 18.283 ( 0.446 -2.491 -1.719) 3.059 18.490 ( 2.165 -0.767 2.475) 3.377 18.522 ( 2.100 -3.750 5.278) 6.807 ======================= Grid point 237 (129/130) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.592 5.675 6.327) 8.647 1.063 ( -6.137 2.016 7.491) 9.892 1.096 ( -8.163 1.612 1.400) 8.437 1.179 ( -1.341 -4.334 4.162) 6.157 1.621 ( -8.580 2.171 -7.539) 11.626 1.652 ( -8.552 -0.631 -2.439) 8.916 1.863 ( -4.794 2.655 -4.722) 7.234 1.910 ( -3.389 -1.755 -6.238) 7.312 1.984 ( -0.809 1.880 -0.143) 2.051 2.012 ( -2.298 -0.209 0.315) 2.329 2.179 ( -5.411 -0.064 2.645) 6.023 2.204 ( -3.910 -2.448 -0.470) 4.637 2.451 ( -7.666 3.156 4.784) 9.571 2.507 ( -6.927 -2.116 1.569) 7.411 2.739 ( 0.595 2.995 -0.574) 3.107 2.782 ( -1.105 -0.851 -3.092) 3.392 3.388 ( -0.259 2.047 0.308) 2.087 3.426 ( -2.987 -2.313 -5.823) 6.941 3.633 ( 0.539 -0.141 0.945) 1.097 3.653 ( 2.467 -1.811 5.207) 6.040 3.938 ( -1.694 4.421 0.002) 4.735 4.019 ( -1.099 -3.492 -1.009) 3.797 4.733 ( 2.065 0.565 3.707) 4.280 4.766 ( 2.714 -2.409 1.151) 3.807 5.045 ( 4.156 5.914 -0.558) 7.250 5.152 ( 4.488 -4.563 1.053) 6.486 5.315 ( 3.054 4.226 -0.870) 5.286 5.386 ( 2.108 -2.563 1.321) 3.572 5.706 ( -1.738 2.556 -1.211) 3.319 5.761 ( -0.426 -2.877 -2.580) 3.888 5.972 ( 6.567 -0.284 2.258) 6.950 5.975 ( 5.374 -0.544 3.141) 6.249 6.462 ( 0.384 2.137 -1.960) 2.925 6.489 ( -0.093 -0.519 -0.841) 0.992 6.988 ( -3.020 2.390 2.721) 4.716 7.025 ( -3.115 -1.128 1.416) 3.602 7.216 ( -2.204 2.538 -3.981) 5.210 7.264 ( -2.490 -2.168 -3.822) 5.050 7.510 ( -0.852 5.755 -0.177) 5.821 7.640 ( -1.076 -6.862 -1.515) 7.109 7.996 ( 1.445 6.412 0.634) 6.603 8.133 ( 1.474 -6.965 0.068) 7.120 8.762 ( 1.094 3.867 1.590) 4.321 8.824 ( 0.589 -2.129 0.547) 2.275 9.024 ( -0.810 5.567 0.112) 5.627 9.112 ( 0.721 -1.831 -0.837) 2.138 9.144 ( 2.757 -0.639 -1.338) 3.131 9.180 ( 0.395 -4.944 -0.499) 4.985 10.366 ( 4.450 2.891 -0.016) 5.307 10.412 ( 4.673 -1.538 -0.522) 4.948 15.664 ( -3.141 0.696 -0.022) 3.217 15.679 ( -3.191 -0.728 -0.675) 3.342 16.006 ( -2.356 4.033 3.723) 5.973 16.092 ( -3.754 -4.655 4.411) 7.431 16.525 ( -0.834 1.993 -2.616) 3.393 16.571 ( -0.217 -2.328 -3.048) 3.841 16.715 ( 1.734 1.989 2.262) 3.475 16.763 ( 0.924 -2.462 1.387) 2.974 17.287 ( 2.032 1.949 -0.821) 2.933 17.332 ( 2.487 -2.534 -1.124) 3.725 18.106 ( -4.475 2.206 2.107) 5.416 18.139 ( -3.533 -1.065 2.272) 4.333 18.248 ( -0.196 1.089 -1.073) 1.541 18.277 ( 0.101 -1.698 -0.240) 1.718 18.544 ( 1.912 0.701 0.043) 2.037 18.606 ( 4.072 -5.150 -1.510) 6.737 ======================= Grid point 238 (130/130) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -9.915 2.642 4.921) 11.380 0.979 ( -7.022 -0.758 2.557) 7.512 1.089 ( 1.350 5.385 8.111) 9.829 1.185 ( -1.144 -3.845 5.197) 6.565 1.509 ( 0.371 6.190 -3.587) 7.163 1.578 ( 1.619 -0.271 0.877) 1.862 1.770 ( -2.337 1.060 -2.556) 3.622 1.792 ( -3.425 -0.939 -8.521) 9.232 1.902 ( -5.933 2.432 -1.623) 6.614 1.941 ( -5.196 -1.183 -1.949) 5.674 2.130 ( -1.051 1.198 0.971) 1.866 2.171 ( -0.358 -2.442 2.277) 3.359 2.346 ( -7.004 1.293 1.819) 7.350 2.404 ( -5.241 -3.737 -0.720) 6.477 2.730 ( 0.436 3.483 0.064) 3.511 2.790 ( 2.541 -1.568 1.140) 3.196 3.332 ( -3.164 0.686 -5.129) 6.065 3.377 ( -1.655 -3.296 -5.356) 6.503 3.666 ( 1.750 3.490 2.924) 4.878 3.727 ( 1.192 -2.209 1.998) 3.208 3.914 ( 0.109 3.771 3.597) 5.213 3.986 ( -0.834 -3.097 1.047) 3.374 4.810 ( 2.612 0.298 4.530) 5.238 4.842 ( 3.529 -2.625 2.016) 4.839 5.105 ( 3.506 5.029 -1.324) 6.272 5.190 ( 0.517 -3.240 -1.072) 3.451 5.308 ( -2.449 3.299 -2.842) 4.996 5.361 ( -5.267 -1.677 -1.574) 5.747 5.721 ( 3.050 1.871 1.426) 3.852 5.767 ( 2.425 -2.625 -0.648) 3.632 6.093 ( 5.465 0.924 4.521) 7.153 6.115 ( 6.842 -1.153 2.905) 7.522 6.430 ( -2.757 2.043 -1.952) 3.948 6.461 ( -2.220 -0.930 -2.568) 3.520 6.977 ( -0.707 2.413 3.707) 4.479 7.017 ( 0.589 -1.453 2.383) 2.853 7.155 ( -1.179 2.410 -4.146) 4.938 7.200 ( -1.598 -1.985 -3.510) 4.338 7.447 ( -3.868 3.839 -2.820) 6.136 7.544 ( -5.145 -5.633 -6.459) 9.996 8.109 ( 6.917 7.184 8.056) 12.820 8.255 ( 7.347 -7.147 8.360) 13.227 8.705 ( -4.958 5.072 -6.587) 9.679 8.792 ( -3.307 -3.420 -4.128) 6.299 9.035 ( 0.952 4.037 1.988) 4.600 9.106 ( -0.619 -2.247 -0.439) 2.372 9.180 ( 1.345 -1.395 -0.388) 1.976 9.188 ( 1.611 -2.168 -1.785) 3.237 10.440 ( 3.206 2.801 0.195) 4.262 10.480 ( 3.032 -1.087 -1.263) 3.459 15.614 ( -2.361 0.346 0.268) 2.401 15.624 ( -2.379 -0.583 -0.235) 2.461 15.988 ( -1.314 2.789 1.901) 3.622 16.041 ( -3.302 -2.532 1.527) 4.433 16.473 ( -1.995 1.775 -3.707) 4.568 16.509 ( -2.751 -1.586 -5.245) 6.131 16.743 ( 0.670 0.269 0.987) 1.223 16.767 ( 0.111 -1.956 -0.322) 1.985 17.434 ( 8.817 2.443 10.177) 13.685 17.489 ( 9.526 -2.952 9.930) 14.073 18.023 ( -5.058 2.540 -0.289) 5.668 18.071 ( -4.877 -2.308 0.610) 5.430 18.239 ( -0.699 1.749 1.630) 2.491 18.279 ( -0.238 -1.936 1.257) 2.320 18.541 ( -0.667 1.706 -4.468) 4.829 18.621 ( 0.760 -5.974 -7.345) 9.498 =================== 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 3/29700 10.0 68.015 43.791 71.953 0.000 14.515 0.000 3/29700 20.0 23.531 12.017 22.562 0.000 5.584 0.000 3/29700 30.0 13.316 6.134 12.799 0.000 3.323 0.000 3/29700 40.0 9.154 4.009 8.799 0.000 2.305 0.000 3/29700 50.0 6.942 2.957 6.664 0.000 1.745 0.000 3/29700 60.0 5.579 2.338 5.350 0.000 1.395 0.000 3/29700 70.0 4.660 1.934 4.466 0.000 1.159 0.000 3/29700 80.0 3.999 1.651 3.832 0.000 0.991 0.000 3/29700 90.0 3.503 1.441 3.357 0.000 0.865 0.000 3/29700 100.0 3.118 1.280 2.989 0.000 0.769 0.000 3/29700 110.0 2.810 1.153 2.696 0.000 0.693 0.000 3/29700 120.0 2.559 1.050 2.457 0.000 0.631 0.000 3/29700 130.0 2.351 0.964 2.259 0.000 0.580 0.000 3/29700 140.0 2.175 0.893 2.093 0.000 0.537 0.000 3/29700 150.0 2.025 0.832 1.950 0.000 0.501 0.000 3/29700 160.0 1.896 0.779 1.827 0.000 0.469 0.000 3/29700 170.0 1.783 0.733 1.720 0.000 0.442 0.000 3/29700 180.0 1.683 0.693 1.626 0.000 0.418 0.000 3/29700 190.0 1.595 0.658 1.542 0.000 0.396 0.000 3/29700 200.0 1.516 0.626 1.467 0.000 0.377 0.000 3/29700 210.0 1.445 0.597 1.400 0.000 0.360 0.000 3/29700 220.0 1.381 0.571 1.339 0.000 0.344 0.000 3/29700 230.0 1.322 0.547 1.284 0.000 0.330 0.000 3/29700 240.0 1.269 0.526 1.233 0.000 0.317 0.000 3/29700 250.0 1.220 0.506 1.186 0.000 0.305 0.000 3/29700 260.0 1.174 0.488 1.143 0.000 0.294 0.000 3/29700 270.0 1.132 0.471 1.103 0.000 0.284 0.000 3/29700 280.0 1.093 0.455 1.066 0.000 0.274 0.000 3/29700 290.0 1.057 0.440 1.031 0.000 0.265 0.000 3/29700 300.0 1.023 0.426 0.998 0.000 0.257 0.000 3/29700 310.0 0.991 0.413 0.968 0.000 0.249 0.000 3/29700 320.0 0.962 0.401 0.939 0.000 0.242 0.000 3/29700 330.0 0.934 0.390 0.913 0.000 0.235 0.000 3/29700 340.0 0.907 0.379 0.887 0.000 0.228 0.000 3/29700 350.0 0.882 0.369 0.863 0.000 0.222 0.000 3/29700 360.0 0.859 0.359 0.841 0.000 0.216 0.000 3/29700 370.0 0.836 0.350 0.819 0.000 0.211 0.000 3/29700 380.0 0.815 0.341 0.799 0.000 0.205 0.000 3/29700 390.0 0.795 0.333 0.779 0.000 0.200 0.000 3/29700 400.0 0.776 0.325 0.761 0.000 0.196 0.000 3/29700 410.0 0.758 0.318 0.743 0.000 0.191 0.000 3/29700 420.0 0.740 0.311 0.726 0.000 0.187 0.000 3/29700 430.0 0.724 0.304 0.710 0.000 0.183 0.000 3/29700 440.0 0.708 0.297 0.695 0.000 0.179 0.000 3/29700 450.0 0.692 0.291 0.680 0.000 0.175 0.000 3/29700 460.0 0.678 0.285 0.666 0.000 0.171 0.000 3/29700 470.0 0.664 0.279 0.652 0.000 0.168 0.000 3/29700 480.0 0.650 0.273 0.639 0.000 0.164 0.000 3/29700 490.0 0.637 0.268 0.627 0.000 0.161 0.000 3/29700 500.0 0.625 0.263 0.614 0.000 0.158 0.000 3/29700 510.0 0.613 0.258 0.603 0.000 0.155 0.000 3/29700 520.0 0.602 0.253 0.592 0.000 0.152 0.000 3/29700 530.0 0.591 0.249 0.581 0.000 0.149 0.000 3/29700 540.0 0.580 0.244 0.571 0.000 0.147 0.000 3/29700 550.0 0.570 0.240 0.561 0.000 0.144 0.000 3/29700 560.0 0.560 0.236 0.551 0.000 0.142 0.000 3/29700 570.0 0.550 0.232 0.541 0.000 0.139 0.000 3/29700 580.0 0.541 0.228 0.532 0.000 0.137 0.000 3/29700 590.0 0.532 0.224 0.524 0.000 0.135 0.000 3/29700 600.0 0.523 0.221 0.515 0.000 0.132 0.000 3/29700 610.0 0.515 0.217 0.507 0.000 0.130 0.000 3/29700 620.0 0.507 0.214 0.499 0.000 0.128 0.000 3/29700 630.0 0.499 0.210 0.491 0.000 0.126 0.000 3/29700 640.0 0.491 0.207 0.484 0.000 0.124 0.000 3/29700 650.0 0.484 0.204 0.477 0.000 0.122 0.000 3/29700 660.0 0.477 0.201 0.470 0.000 0.121 0.000 3/29700 670.0 0.470 0.198 0.463 0.000 0.119 0.000 3/29700 680.0 0.463 0.195 0.456 0.000 0.117 0.000 3/29700 690.0 0.456 0.193 0.450 0.000 0.116 0.000 3/29700 700.0 0.450 0.190 0.443 0.000 0.114 0.000 3/29700 710.0 0.444 0.187 0.437 0.000 0.112 0.000 3/29700 720.0 0.438 0.185 0.431 0.000 0.111 0.000 3/29700 730.0 0.432 0.182 0.426 0.000 0.109 0.000 3/29700 740.0 0.426 0.180 0.420 0.000 0.108 0.000 3/29700 750.0 0.420 0.178 0.414 0.000 0.106 0.000 3/29700 760.0 0.415 0.175 0.409 0.000 0.105 0.000 3/29700 770.0 0.410 0.173 0.404 0.000 0.104 0.000 3/29700 780.0 0.404 0.171 0.399 0.000 0.102 0.000 3/29700 790.0 0.399 0.169 0.394 0.000 0.101 0.000 3/29700 800.0 0.394 0.167 0.389 0.000 0.100 0.000 3/29700 810.0 0.390 0.165 0.384 0.000 0.099 0.000 3/29700 820.0 0.385 0.163 0.380 0.000 0.098 0.000 3/29700 830.0 0.380 0.161 0.375 0.000 0.096 0.000 3/29700 840.0 0.376 0.159 0.371 0.000 0.095 0.000 3/29700 850.0 0.372 0.157 0.367 0.000 0.094 0.000 3/29700 860.0 0.367 0.155 0.362 0.000 0.093 0.000 3/29700 870.0 0.363 0.154 0.358 0.000 0.092 0.000 3/29700 880.0 0.359 0.152 0.354 0.000 0.091 0.000 3/29700 890.0 0.355 0.150 0.350 0.000 0.090 0.000 3/29700 900.0 0.351 0.149 0.346 0.000 0.089 0.000 3/29700 910.0 0.347 0.147 0.343 0.000 0.088 0.000 3/29700 920.0 0.344 0.145 0.339 0.000 0.087 0.000 3/29700 930.0 0.340 0.144 0.335 0.000 0.086 0.000 3/29700 940.0 0.336 0.142 0.332 0.000 0.085 0.000 3/29700 950.0 0.333 0.141 0.329 0.000 0.084 0.000 3/29700 960.0 0.329 0.139 0.325 0.000 0.083 0.000 3/29700 970.0 0.326 0.138 0.322 0.000 0.083 0.000 3/29700 980.0 0.323 0.137 0.319 0.000 0.082 0.000 3/29700 990.0 0.320 0.135 0.315 0.000 0.081 0.000 3/29700 1000.0 0.316 0.134 0.312 0.000 0.080 0.000 3/29700 Thermal conductivity related properties were written into "kappa-m1095.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:31:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|