# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/515030a8-139f-43b5-ba83-ac567fe9d16d/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Cs2Ba2O3 / P2_1/c (14) / materials id 754272](https://mdr.nims.go.jp/datasets/8b0aa8e5-c8c1-4730-b6af-84ec274ad360) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:22:18]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.446964602181672 0.000000000000000 0.000000000000000 b 0.000000000000000 7.656030360000000 0.000000000000000 c -3.717933255525695 0.000000000000000 6.750621626296955Atomic positions (fractional): *1 Cs 0.14242424322125 0.65417450869228 0.91000385732142 132.905 2 Cs 0.14242424322125 0.84582549130772 0.41000385732142 132.905 3 Cs 0.85757575677875 0.15417450869228 0.58999614267858 132.905 4 Cs 0.85757575677875 0.34582549130772 0.08999614267858 132.905 *5 Ba 0.33935282587012 0.37433399152953 0.57585877109279 137.327 6 Ba 0.66064717412988 0.87433399152953 0.92414122890721 137.327 7 Ba 0.33935282587012 0.12566600847047 0.07585877109279 137.327 8 Ba 0.66064717412988 0.62566600847047 0.42414122890721 137.327 *9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 *11 O 0.35438046328573 0.08361557873646 0.74727114506581 15.999 12 O 0.64561953671427 0.58361557873646 0.75272885493419 15.999 13 O 0.35438046328573 0.41638442126354 0.24727114506581 15.999 14 O 0.64561953671427 0.91638442126354 0.25272885493419 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.446964602181672 0.000000000000000 0.000000000000000 b 0.000000000000000 7.656030360000000 0.000000000000000 c -3.717933255525695 0.000000000000000 6.750621626296955Atomic positions (fractional): *1 Cs 0.14242424322125 0.65417450869228 0.91000385732142 132.905 > 1 2 Cs 0.14242424322125 0.84582549130772 0.41000385732142 132.905 > 2 3 Cs 0.85757575677875 0.15417450869228 0.58999614267858 132.905 > 3 4 Cs 0.85757575677875 0.34582549130772 0.08999614267858 132.905 > 4 *5 Ba 0.33935282587012 0.37433399152953 0.57585877109279 137.327 > 5 6 Ba 0.66064717412988 0.87433399152953 0.92414122890721 137.327 > 6 7 Ba 0.33935282587012 0.12566600847047 0.07585877109279 137.327 > 7 8 Ba 0.66064717412988 0.62566600847047 0.42414122890721 137.327 > 8 *9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 9 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 10 *11 O 0.35438046328573 0.08361557873646 0.74727114506581 15.999 > 11 12 O 0.64561953671427 0.58361557873646 0.75272885493419 15.999 > 12 13 O 0.35438046328573 0.41638442126354 0.24727114506581 15.999 > 13 14 O 0.64561953671427 0.91638442126354 0.25272885493419 15.999 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 14.893929204363344 0.000000000000000 0.000000000000000 b 0.000000000000000 15.312060720000000 0.000000000000000 c -7.435866511051390 0.000000000000000 13.501243252593911Atomic positions (fractional): *1 Cs 0.07121212161062 0.32708725434614 0.45500192866071 132.905 > 1 2 Cs 0.57121212161062 0.32708725434614 0.45500192866071 132.905 > 1 3 Cs 0.07121212161062 0.82708725434614 0.45500192866071 132.905 > 1 4 Cs 0.57121212161062 0.82708725434614 0.45500192866071 132.905 > 1 5 Cs 0.07121212161062 0.32708725434614 0.95500192866071 132.905 > 1 6 Cs 0.57121212161062 0.32708725434614 0.95500192866071 132.905 > 1 7 Cs 0.07121212161062 0.82708725434614 0.95500192866071 132.905 > 1 8 Cs 0.57121212161062 0.82708725434614 0.95500192866071 132.905 > 1 9 Cs 0.07121212161062 0.42291274565386 0.20500192866071 132.905 > 2 10 Cs 0.57121212161062 0.42291274565386 0.20500192866071 132.905 > 2 11 Cs 0.07121212161062 0.92291274565386 0.20500192866071 132.905 > 2 12 Cs 0.57121212161062 0.92291274565386 0.20500192866071 132.905 > 2 13 Cs 0.07121212161062 0.42291274565386 0.70500192866071 132.905 > 2 14 Cs 0.57121212161062 0.42291274565386 0.70500192866071 132.905 > 2 15 Cs 0.07121212161062 0.92291274565386 0.70500192866071 132.905 > 2 16 Cs 0.57121212161062 0.92291274565386 0.70500192866071 132.905 > 2 17 Cs 0.42878787838938 0.07708725434614 0.29499807133929 132.905 > 3 18 Cs 0.92878787838938 0.07708725434614 0.29499807133929 132.905 > 3 19 Cs 0.42878787838938 0.57708725434614 0.29499807133929 132.905 > 3 20 Cs 0.92878787838938 0.57708725434614 0.29499807133929 132.905 > 3 21 Cs 0.42878787838938 0.07708725434614 0.79499807133929 132.905 > 3 22 Cs 0.92878787838938 0.07708725434614 0.79499807133929 132.905 > 3 23 Cs 0.42878787838938 0.57708725434614 0.79499807133929 132.905 > 3 24 Cs 0.92878787838938 0.57708725434614 0.79499807133929 132.905 > 3 25 Cs 0.42878787838938 0.17291274565386 0.04499807133929 132.905 > 4 26 Cs 0.92878787838938 0.17291274565386 0.04499807133929 132.905 > 4 27 Cs 0.42878787838938 0.67291274565386 0.04499807133929 132.905 > 4 28 Cs 0.92878787838938 0.67291274565386 0.04499807133929 132.905 > 4 29 Cs 0.42878787838938 0.17291274565386 0.54499807133929 132.905 > 4 30 Cs 0.92878787838938 0.17291274565386 0.54499807133929 132.905 > 4 31 Cs 0.42878787838938 0.67291274565386 0.54499807133929 132.905 > 4 32 Cs 0.92878787838938 0.67291274565386 0.54499807133929 132.905 > 4 *33 Ba 0.16967641293506 0.18716699576477 0.28792938554640 137.327 > 5 34 Ba 0.66967641293506 0.18716699576477 0.28792938554640 137.327 > 5 35 Ba 0.16967641293506 0.68716699576477 0.28792938554640 137.327 > 5 36 Ba 0.66967641293506 0.68716699576477 0.28792938554640 137.327 > 5 37 Ba 0.16967641293506 0.18716699576477 0.78792938554640 137.327 > 5 38 Ba 0.66967641293506 0.18716699576477 0.78792938554640 137.327 > 5 39 Ba 0.16967641293506 0.68716699576477 0.78792938554640 137.327 > 5 40 Ba 0.66967641293506 0.68716699576477 0.78792938554640 137.327 > 5 41 Ba 0.33032358706494 0.43716699576477 0.46207061445360 137.327 > 6 42 Ba 0.83032358706494 0.43716699576477 0.46207061445360 137.327 > 6 43 Ba 0.33032358706494 0.93716699576477 0.46207061445360 137.327 > 6 44 Ba 0.83032358706494 0.93716699576477 0.46207061445360 137.327 > 6 45 Ba 0.33032358706494 0.43716699576477 0.96207061445360 137.327 > 6 46 Ba 0.83032358706494 0.43716699576477 0.96207061445360 137.327 > 6 47 Ba 0.33032358706494 0.93716699576477 0.96207061445360 137.327 > 6 48 Ba 0.83032358706494 0.93716699576477 0.96207061445360 137.327 > 6 49 Ba 0.16967641293506 0.06283300423523 0.03792938554640 137.327 > 7 50 Ba 0.66967641293506 0.06283300423523 0.03792938554640 137.327 > 7 51 Ba 0.16967641293506 0.56283300423523 0.03792938554640 137.327 > 7 52 Ba 0.66967641293506 0.56283300423523 0.03792938554640 137.327 > 7 53 Ba 0.16967641293506 0.06283300423523 0.53792938554640 137.327 > 7 54 Ba 0.66967641293506 0.06283300423523 0.53792938554640 137.327 > 7 55 Ba 0.16967641293506 0.56283300423523 0.53792938554640 137.327 > 7 56 Ba 0.66967641293506 0.56283300423523 0.53792938554640 137.327 > 7 57 Ba 0.33032358706494 0.31283300423523 0.21207061445360 137.327 > 8 58 Ba 0.83032358706494 0.31283300423523 0.21207061445360 137.327 > 8 59 Ba 0.33032358706494 0.81283300423523 0.21207061445360 137.327 > 8 60 Ba 0.83032358706494 0.81283300423523 0.21207061445360 137.327 > 8 61 Ba 0.33032358706494 0.31283300423523 0.71207061445360 137.327 > 8 62 Ba 0.83032358706494 0.31283300423523 0.71207061445360 137.327 > 8 63 Ba 0.33032358706494 0.81283300423523 0.71207061445360 137.327 > 8 64 Ba 0.83032358706494 0.81283300423523 0.71207061445360 137.327 > 8 *65 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 9 66 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 9 67 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 9 68 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 9 69 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 9 70 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 9 71 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 9 72 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 9 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 10 74 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 10 75 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 10 76 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 10 77 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 10 78 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 10 79 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 10 80 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 10 *81 O 0.17719023164286 0.04180778936823 0.37363557253290 15.999 > 11 82 O 0.67719023164286 0.04180778936823 0.37363557253290 15.999 > 11 83 O 0.17719023164286 0.54180778936823 0.37363557253290 15.999 > 11 84 O 0.67719023164286 0.54180778936823 0.37363557253290 15.999 > 11 85 O 0.17719023164286 0.04180778936823 0.87363557253290 15.999 > 11 86 O 0.67719023164286 0.04180778936823 0.87363557253290 15.999 > 11 87 O 0.17719023164286 0.54180778936823 0.87363557253290 15.999 > 11 88 O 0.67719023164286 0.54180778936823 0.87363557253290 15.999 > 11 89 O 0.32280976835714 0.29180778936823 0.37636442746710 15.999 > 12 90 O 0.82280976835714 0.29180778936823 0.37636442746710 15.999 > 12 91 O 0.32280976835714 0.79180778936823 0.37636442746710 15.999 > 12 92 O 0.82280976835714 0.79180778936823 0.37636442746710 15.999 > 12 93 O 0.32280976835714 0.29180778936823 0.87636442746710 15.999 > 12 94 O 0.82280976835714 0.29180778936823 0.87636442746710 15.999 > 12 95 O 0.32280976835714 0.79180778936823 0.87636442746710 15.999 > 12 96 O 0.82280976835714 0.79180778936823 0.87636442746710 15.999 > 12 97 O 0.17719023164286 0.20819221063177 0.12363557253290 15.999 > 13 98 O 0.67719023164286 0.20819221063177 0.12363557253290 15.999 > 13 99 O 0.17719023164286 0.70819221063177 0.12363557253290 15.999 > 13 100 O 0.67719023164286 0.70819221063177 0.12363557253290 15.999 > 13 101 O 0.17719023164286 0.20819221063177 0.62363557253290 15.999 > 13 102 O 0.67719023164286 0.20819221063177 0.62363557253290 15.999 > 13 103 O 0.17719023164286 0.70819221063177 0.62363557253290 15.999 > 13 104 O 0.67719023164286 0.70819221063177 0.62363557253290 15.999 > 13 105 O 0.32280976835714 0.45819221063177 0.12636442746710 15.999 > 14 106 O 0.82280976835714 0.45819221063177 0.12636442746710 15.999 > 14 107 O 0.32280976835714 0.95819221063177 0.12636442746710 15.999 > 14 108 O 0.82280976835714 0.95819221063177 0.12636442746710 15.999 > 14 109 O 0.32280976835714 0.45819221063177 0.62636442746710 15.999 > 14 110 O 0.82280976835714 0.45819221063177 0.62636442746710 15.999 > 14 111 O 0.32280976835714 0.95819221063177 0.62636442746710 15.999 > 14 112 O 0.82280976835714 0.95819221063177 0.62636442746710 15.999 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1337772 0.0000000 0.0720799 0.0000000 3.8389158 0.0000000 0.0720405 0.0000000 3.8722285-------------------------- Born effective charges -------------------------- 1 Cs 1.1210372 -0.1068823 0.0734840 -0.0847101 1.3224276 -0.0110859 0.0212362 0.0068226 1.3830471 2 Cs 1.1210372 0.1068823 0.0734840 0.0847101 1.3224276 0.0110859 0.0212362 -0.0068226 1.3830471 3 Cs 1.1210372 0.1068823 0.0734840 0.0847101 1.3224276 0.0110859 0.0212362 -0.0068226 1.3830471 4 Cs 1.1210372 -0.1068823 0.0734840 -0.0847101 1.3224276 -0.0110859 0.0212362 0.0068226 1.3830471 5 Ba 2.7154013 0.3280351 -0.0191254 0.3100366 2.1736189 -0.2421628 0.0344913 -0.3115716 2.0634049 6 Ba 2.7154013 -0.3280351 -0.0191254 -0.3100366 2.1736189 0.2421628 0.0344913 0.3115716 2.0634049 7 Ba 2.7154013 -0.3280351 -0.0191254 -0.3100366 2.1736189 0.2421628 0.0344913 0.3115716 2.0634049 8 Ba 2.7154013 0.3280351 -0.0191254 0.3100366 2.1736189 -0.2421628 0.0344913 -0.3115716 2.0634049 9 O -3.2581727 0.5400455 -0.2709509 0.3674158 -2.0663177 -0.0428603 -0.2194913 0.0546395 -1.8776357 10 O -3.2581727 -0.5400455 -0.2709509 -0.3674158 -2.0663177 0.0428603 -0.2194913 -0.0546395 -1.8776357 11 O -2.2073521 0.2678163 0.0811168 0.1983424 -2.4628877 0.3314471 0.0540182 0.3734881 -2.5076341 12 O -2.2073521 -0.2678163 0.0811168 -0.1983424 -2.4628877 -0.3314471 0.0540182 -0.3734881 -2.5076341 13 O -2.2073521 -0.2678163 0.0811168 -0.1983424 -2.4628877 -0.3314471 0.0540182 -0.3734881 -2.5076341 14 O -2.2073521 0.2678163 0.0811168 0.1983424 -2.4628877 0.3314471 0.0540182 0.3734881 -2.5076341----------------------------------------------------------------------------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: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1866Number of blocks in projector: 1866Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 226Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 226Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 226Use standard eigh solver.Tree of FC basis block matrices:- (1866, 1831), data: False|-- (226, 222), data: True|-- (226, 222), data: True|-- (226, 222), data: True|-- (396, 389), data: True|-- (396, 388), data: True|-- (396, 388), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 3.015Solver_block: 200 / 480 - Time: 3.007Solver_block: 300 / 480 - Time: 3.011Solver_block: 400 / 480 - Time: 3.009Solver_block: 480 / 480 - Time: 2.438Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.527--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1866Number of blocks in projector: 1866Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 226Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 226Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 226Use standard eigh solver.Tree of FC basis block matrices:- (1866, 1831), data: False|-- (226, 222), data: True|-- (226, 222), data: True|-- (226, 222), data: True|-- (396, 389), data: True|-- (396, 388), data: True|-- (396, 388), data: TrueMax 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 23:22:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:22:53]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.446964602181672 0.000000000000000 0.000000000000000 b 0.000000000000000 7.656030360000000 0.000000000000000 c -3.717933255525695 0.000000000000000 6.750621626296955Atomic positions (fractional): 1 Cs 0.14242424322125 0.65417450869228 0.91000385732142 132.905 2 Cs 0.14242424322125 0.84582549130772 0.41000385732142 132.905 3 Cs 0.85757575677875 0.15417450869228 0.58999614267858 132.905 4 Cs 0.85757575677875 0.34582549130772 0.08999614267858 132.905 5 Ba 0.33935282587012 0.37433399152953 0.57585877109279 137.327 6 Ba 0.66064717412988 0.87433399152953 0.92414122890721 137.327 7 Ba 0.33935282587012 0.12566600847047 0.07585877109279 137.327 8 Ba 0.66064717412988 0.62566600847047 0.42414122890721 137.327 9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.35438046328573 0.08361557873646 0.74727114506581 15.999 12 O 0.64561953671427 0.58361557873646 0.75272885493419 15.999 13 O 0.35438046328573 0.41638442126354 0.24727114506581 15.999 14 O 0.64561953671427 0.91638442126354 0.25272885493419 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 14.893929204363344 0.000000000000000 0.000000000000000 b 0.000000000000000 15.312060720000000 0.000000000000000 c -7.435866511051390 0.000000000000000 13.501243252593911Atomic positions (fractional): 1 Cs 0.07121212161062 0.32708725434614 0.45500192866071 132.905 > 1 2 Cs 0.57121212161062 0.32708725434614 0.45500192866071 132.905 > 1 3 Cs 0.07121212161062 0.82708725434614 0.45500192866071 132.905 > 1 4 Cs 0.57121212161062 0.82708725434614 0.45500192866071 132.905 > 1 5 Cs 0.07121212161062 0.32708725434614 0.95500192866071 132.905 > 1 6 Cs 0.57121212161062 0.32708725434614 0.95500192866071 132.905 > 1 7 Cs 0.07121212161062 0.82708725434614 0.95500192866071 132.905 > 1 8 Cs 0.57121212161062 0.82708725434614 0.95500192866071 132.905 > 1 9 Cs 0.07121212161062 0.42291274565386 0.20500192866071 132.905 > 9 10 Cs 0.57121212161062 0.42291274565386 0.20500192866071 132.905 > 9 11 Cs 0.07121212161062 0.92291274565386 0.20500192866071 132.905 > 9 12 Cs 0.57121212161062 0.92291274565386 0.20500192866071 132.905 > 9 13 Cs 0.07121212161062 0.42291274565386 0.70500192866071 132.905 > 9 14 Cs 0.57121212161062 0.42291274565386 0.70500192866071 132.905 > 9 15 Cs 0.07121212161062 0.92291274565386 0.70500192866071 132.905 > 9 16 Cs 0.57121212161062 0.92291274565386 0.70500192866071 132.905 > 9 17 Cs 0.42878787838938 0.07708725434614 0.29499807133929 132.905 > 17 18 Cs 0.92878787838938 0.07708725434614 0.29499807133929 132.905 > 17 19 Cs 0.42878787838938 0.57708725434614 0.29499807133929 132.905 > 17 20 Cs 0.92878787838938 0.57708725434614 0.29499807133929 132.905 > 17 21 Cs 0.42878787838938 0.07708725434614 0.79499807133929 132.905 > 17 22 Cs 0.92878787838938 0.07708725434614 0.79499807133929 132.905 > 17 23 Cs 0.42878787838938 0.57708725434614 0.79499807133929 132.905 > 17 24 Cs 0.92878787838938 0.57708725434614 0.79499807133929 132.905 > 17 25 Cs 0.42878787838938 0.17291274565386 0.04499807133929 132.905 > 25 26 Cs 0.92878787838938 0.17291274565386 0.04499807133929 132.905 > 25 27 Cs 0.42878787838938 0.67291274565386 0.04499807133929 132.905 > 25 28 Cs 0.92878787838938 0.67291274565386 0.04499807133929 132.905 > 25 29 Cs 0.42878787838938 0.17291274565386 0.54499807133929 132.905 > 25 30 Cs 0.92878787838938 0.17291274565386 0.54499807133929 132.905 > 25 31 Cs 0.42878787838938 0.67291274565386 0.54499807133929 132.905 > 25 32 Cs 0.92878787838938 0.67291274565386 0.54499807133929 132.905 > 25 33 Ba 0.16967641293506 0.18716699576477 0.28792938554640 137.327 > 33 34 Ba 0.66967641293506 0.18716699576477 0.28792938554640 137.327 > 33 35 Ba 0.16967641293506 0.68716699576477 0.28792938554640 137.327 > 33 36 Ba 0.66967641293506 0.68716699576477 0.28792938554640 137.327 > 33 37 Ba 0.16967641293506 0.18716699576477 0.78792938554640 137.327 > 33 38 Ba 0.66967641293506 0.18716699576477 0.78792938554640 137.327 > 33 39 Ba 0.16967641293506 0.68716699576477 0.78792938554640 137.327 > 33 40 Ba 0.66967641293506 0.68716699576477 0.78792938554640 137.327 > 33 41 Ba 0.33032358706494 0.43716699576477 0.46207061445360 137.327 > 41 42 Ba 0.83032358706494 0.43716699576477 0.46207061445360 137.327 > 41 43 Ba 0.33032358706494 0.93716699576477 0.46207061445360 137.327 > 41 44 Ba 0.83032358706494 0.93716699576477 0.46207061445360 137.327 > 41 45 Ba 0.33032358706494 0.43716699576477 0.96207061445360 137.327 > 41 46 Ba 0.83032358706494 0.43716699576477 0.96207061445360 137.327 > 41 47 Ba 0.33032358706494 0.93716699576477 0.96207061445360 137.327 > 41 48 Ba 0.83032358706494 0.93716699576477 0.96207061445360 137.327 > 41 49 Ba 0.16967641293506 0.06283300423523 0.03792938554640 137.327 > 49 50 Ba 0.66967641293506 0.06283300423523 0.03792938554640 137.327 > 49 51 Ba 0.16967641293506 0.56283300423523 0.03792938554640 137.327 > 49 52 Ba 0.66967641293506 0.56283300423523 0.03792938554640 137.327 > 49 53 Ba 0.16967641293506 0.06283300423523 0.53792938554640 137.327 > 49 54 Ba 0.66967641293506 0.06283300423523 0.53792938554640 137.327 > 49 55 Ba 0.16967641293506 0.56283300423523 0.53792938554640 137.327 > 49 56 Ba 0.66967641293506 0.56283300423523 0.53792938554640 137.327 > 49 57 Ba 0.33032358706494 0.31283300423523 0.21207061445360 137.327 > 57 58 Ba 0.83032358706494 0.31283300423523 0.21207061445360 137.327 > 57 59 Ba 0.33032358706494 0.81283300423523 0.21207061445360 137.327 > 57 60 Ba 0.83032358706494 0.81283300423523 0.21207061445360 137.327 > 57 61 Ba 0.33032358706494 0.31283300423523 0.71207061445360 137.327 > 57 62 Ba 0.83032358706494 0.31283300423523 0.71207061445360 137.327 > 57 63 Ba 0.33032358706494 0.81283300423523 0.71207061445360 137.327 > 57 64 Ba 0.83032358706494 0.81283300423523 0.71207061445360 137.327 > 57 65 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 65 66 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 65 67 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 65 68 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 65 70 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 65 71 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 65 72 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 65 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 73 78 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 73 79 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 73 80 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 73 81 O 0.17719023164286 0.04180778936823 0.37363557253290 15.999 > 81 82 O 0.67719023164286 0.04180778936823 0.37363557253290 15.999 > 81 83 O 0.17719023164286 0.54180778936823 0.37363557253290 15.999 > 81 84 O 0.67719023164286 0.54180778936823 0.37363557253290 15.999 > 81 85 O 0.17719023164286 0.04180778936823 0.87363557253290 15.999 > 81 86 O 0.67719023164286 0.04180778936823 0.87363557253290 15.999 > 81 87 O 0.17719023164286 0.54180778936823 0.87363557253290 15.999 > 81 88 O 0.67719023164286 0.54180778936823 0.87363557253290 15.999 > 81 89 O 0.32280976835714 0.29180778936823 0.37636442746710 15.999 > 89 90 O 0.82280976835714 0.29180778936823 0.37636442746710 15.999 > 89 91 O 0.32280976835714 0.79180778936823 0.37636442746710 15.999 > 89 92 O 0.82280976835714 0.79180778936823 0.37636442746710 15.999 > 89 93 O 0.32280976835714 0.29180778936823 0.87636442746710 15.999 > 89 94 O 0.82280976835714 0.29180778936823 0.87636442746710 15.999 > 89 95 O 0.32280976835714 0.79180778936823 0.87636442746710 15.999 > 89 96 O 0.82280976835714 0.79180778936823 0.87636442746710 15.999 > 89 97 O 0.17719023164286 0.20819221063177 0.12363557253290 15.999 > 97 98 O 0.67719023164286 0.20819221063177 0.12363557253290 15.999 > 97 99 O 0.17719023164286 0.70819221063177 0.12363557253290 15.999 > 97 100 O 0.67719023164286 0.70819221063177 0.12363557253290 15.999 > 97 101 O 0.17719023164286 0.20819221063177 0.62363557253290 15.999 > 97 102 O 0.67719023164286 0.20819221063177 0.62363557253290 15.999 > 97 103 O 0.17719023164286 0.70819221063177 0.62363557253290 15.999 > 97 104 O 0.67719023164286 0.70819221063177 0.62363557253290 15.999 > 97 105 O 0.32280976835714 0.45819221063177 0.12636442746710 15.999 > 105 106 O 0.82280976835714 0.45819221063177 0.12636442746710 15.999 > 105 107 O 0.32280976835714 0.95819221063177 0.12636442746710 15.999 > 105 108 O 0.82280976835714 0.95819221063177 0.12636442746710 15.999 > 105 109 O 0.32280976835714 0.45819221063177 0.62636442746710 15.999 > 105 110 O 0.82280976835714 0.45819221063177 0.62636442746710 15.999 > 105 111 O 0.32280976835714 0.95819221063177 0.62636442746710 15.999 > 105 112 O 0.82280976835714 0.95819221063177 0.62636442746710 15.999 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1337772 0.0000000 0.0720799 0.0000000 3.8389158 0.0000000 0.0720405 0.0000000 3.8722285-------------------------- Born effective charges -------------------------- 1 Cs 1.1210372 -0.1068823 0.0734840 -0.0847101 1.3224276 -0.0110859 0.0212362 0.0068226 1.3830471 2 Cs 1.1210372 0.1068823 0.0734840 0.0847101 1.3224276 0.0110859 0.0212362 -0.0068226 1.3830471 3 Cs 1.1210372 0.1068823 0.0734840 0.0847101 1.3224276 0.0110859 0.0212362 -0.0068226 1.3830471 4 Cs 1.1210372 -0.1068823 0.0734840 -0.0847101 1.3224276 -0.0110859 0.0212362 0.0068226 1.3830471 5 Ba 2.7154013 0.3280351 -0.0191254 0.3100366 2.1736189 -0.2421628 0.0344913 -0.3115716 2.0634049 6 Ba 2.7154013 -0.3280351 -0.0191254 -0.3100366 2.1736189 0.2421628 0.0344913 0.3115716 2.0634049 7 Ba 2.7154013 -0.3280351 -0.0191254 -0.3100366 2.1736189 0.2421628 0.0344913 0.3115716 2.0634049 8 Ba 2.7154013 0.3280351 -0.0191254 0.3100366 2.1736189 -0.2421628 0.0344913 -0.3115716 2.0634049 9 O -3.2581727 0.5400455 -0.2709509 0.3674158 -2.0663177 -0.0428603 -0.2194913 0.0546395 -1.8776357 10 O -3.2581727 -0.5400455 -0.2709509 -0.3674158 -2.0663177 0.0428603 -0.2194913 -0.0546395 -1.8776357 11 O -2.2073521 0.2678163 0.0811168 0.1983424 -2.4628877 0.3314471 0.0540182 0.3734881 -2.5076341 12 O -2.2073521 -0.2678163 0.0811168 -0.1983424 -2.4628877 -0.3314471 0.0540182 -0.3734881 -2.5076341 13 O -2.2073521 -0.2678163 0.0811168 -0.1983424 -2.4628877 -0.3314471 0.0540182 -0.3734881 -2.5076341 14 O -2.2073521 0.2678163 0.0811168 0.1983424 -2.4628877 0.3314471 0.0540182 0.3734881 -2.5076341----------------------------------------------------------------------------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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 81, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000120 (yyy) -0.00000120 (yyy) -0.00000120 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000427 (zy) 0.00000427 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:23:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:23:11]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.446964602181672 0.000000000000000 0.000000000000000 b 0.000000000000000 7.656030360000000 0.000000000000000 c -3.717933255525695 0.000000000000000 6.750621626296955Atomic positions (fractional): 1 Cs 0.14242424322125 0.65417450869228 0.91000385732142 132.905 2 Cs 0.14242424322125 0.84582549130772 0.41000385732142 132.905 3 Cs 0.85757575677875 0.15417450869228 0.58999614267858 132.905 4 Cs 0.85757575677875 0.34582549130772 0.08999614267858 132.905 5 Ba 0.33935282587012 0.37433399152953 0.57585877109279 137.327 6 Ba 0.66064717412988 0.87433399152953 0.92414122890721 137.327 7 Ba 0.33935282587012 0.12566600847047 0.07585877109279 137.327 8 Ba 0.66064717412988 0.62566600847047 0.42414122890721 137.327 9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.35438046328573 0.08361557873646 0.74727114506581 15.999 12 O 0.64561953671427 0.58361557873646 0.75272885493419 15.999 13 O 0.35438046328573 0.41638442126354 0.24727114506581 15.999 14 O 0.64561953671427 0.91638442126354 0.25272885493419 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 14.893929204363344 0.000000000000000 0.000000000000000 b 0.000000000000000 15.312060720000000 0.000000000000000 c -7.435866511051390 0.000000000000000 13.501243252593911Atomic positions (fractional): 1 Cs 0.07121212161062 0.32708725434614 0.45500192866071 132.905 > 1 2 Cs 0.57121212161062 0.32708725434614 0.45500192866071 132.905 > 1 3 Cs 0.07121212161062 0.82708725434614 0.45500192866071 132.905 > 1 4 Cs 0.57121212161062 0.82708725434614 0.45500192866071 132.905 > 1 5 Cs 0.07121212161062 0.32708725434614 0.95500192866071 132.905 > 1 6 Cs 0.57121212161062 0.32708725434614 0.95500192866071 132.905 > 1 7 Cs 0.07121212161062 0.82708725434614 0.95500192866071 132.905 > 1 8 Cs 0.57121212161062 0.82708725434614 0.95500192866071 132.905 > 1 9 Cs 0.07121212161062 0.42291274565386 0.20500192866071 132.905 > 9 10 Cs 0.57121212161062 0.42291274565386 0.20500192866071 132.905 > 9 11 Cs 0.07121212161062 0.92291274565386 0.20500192866071 132.905 > 9 12 Cs 0.57121212161062 0.92291274565386 0.20500192866071 132.905 > 9 13 Cs 0.07121212161062 0.42291274565386 0.70500192866071 132.905 > 9 14 Cs 0.57121212161062 0.42291274565386 0.70500192866071 132.905 > 9 15 Cs 0.07121212161062 0.92291274565386 0.70500192866071 132.905 > 9 16 Cs 0.57121212161062 0.92291274565386 0.70500192866071 132.905 > 9 17 Cs 0.42878787838938 0.07708725434614 0.29499807133929 132.905 > 17 18 Cs 0.92878787838938 0.07708725434614 0.29499807133929 132.905 > 17 19 Cs 0.42878787838938 0.57708725434614 0.29499807133929 132.905 > 17 20 Cs 0.92878787838938 0.57708725434614 0.29499807133929 132.905 > 17 21 Cs 0.42878787838938 0.07708725434614 0.79499807133929 132.905 > 17 22 Cs 0.92878787838938 0.07708725434614 0.79499807133929 132.905 > 17 23 Cs 0.42878787838938 0.57708725434614 0.79499807133929 132.905 > 17 24 Cs 0.92878787838938 0.57708725434614 0.79499807133929 132.905 > 17 25 Cs 0.42878787838938 0.17291274565386 0.04499807133929 132.905 > 25 26 Cs 0.92878787838938 0.17291274565386 0.04499807133929 132.905 > 25 27 Cs 0.42878787838938 0.67291274565386 0.04499807133929 132.905 > 25 28 Cs 0.92878787838938 0.67291274565386 0.04499807133929 132.905 > 25 29 Cs 0.42878787838938 0.17291274565386 0.54499807133929 132.905 > 25 30 Cs 0.92878787838938 0.17291274565386 0.54499807133929 132.905 > 25 31 Cs 0.42878787838938 0.67291274565386 0.54499807133929 132.905 > 25 32 Cs 0.92878787838938 0.67291274565386 0.54499807133929 132.905 > 25 33 Ba 0.16967641293506 0.18716699576477 0.28792938554640 137.327 > 33 34 Ba 0.66967641293506 0.18716699576477 0.28792938554640 137.327 > 33 35 Ba 0.16967641293506 0.68716699576477 0.28792938554640 137.327 > 33 36 Ba 0.66967641293506 0.68716699576477 0.28792938554640 137.327 > 33 37 Ba 0.16967641293506 0.18716699576477 0.78792938554640 137.327 > 33 38 Ba 0.66967641293506 0.18716699576477 0.78792938554640 137.327 > 33 39 Ba 0.16967641293506 0.68716699576477 0.78792938554640 137.327 > 33 40 Ba 0.66967641293506 0.68716699576477 0.78792938554640 137.327 > 33 41 Ba 0.33032358706494 0.43716699576477 0.46207061445360 137.327 > 41 42 Ba 0.83032358706494 0.43716699576477 0.46207061445360 137.327 > 41 43 Ba 0.33032358706494 0.93716699576477 0.46207061445360 137.327 > 41 44 Ba 0.83032358706494 0.93716699576477 0.46207061445360 137.327 > 41 45 Ba 0.33032358706494 0.43716699576477 0.96207061445360 137.327 > 41 46 Ba 0.83032358706494 0.43716699576477 0.96207061445360 137.327 > 41 47 Ba 0.33032358706494 0.93716699576477 0.96207061445360 137.327 > 41 48 Ba 0.83032358706494 0.93716699576477 0.96207061445360 137.327 > 41 49 Ba 0.16967641293506 0.06283300423523 0.03792938554640 137.327 > 49 50 Ba 0.66967641293506 0.06283300423523 0.03792938554640 137.327 > 49 51 Ba 0.16967641293506 0.56283300423523 0.03792938554640 137.327 > 49 52 Ba 0.66967641293506 0.56283300423523 0.03792938554640 137.327 > 49 53 Ba 0.16967641293506 0.06283300423523 0.53792938554640 137.327 > 49 54 Ba 0.66967641293506 0.06283300423523 0.53792938554640 137.327 > 49 55 Ba 0.16967641293506 0.56283300423523 0.53792938554640 137.327 > 49 56 Ba 0.66967641293506 0.56283300423523 0.53792938554640 137.327 > 49 57 Ba 0.33032358706494 0.31283300423523 0.21207061445360 137.327 > 57 58 Ba 0.83032358706494 0.31283300423523 0.21207061445360 137.327 > 57 59 Ba 0.33032358706494 0.81283300423523 0.21207061445360 137.327 > 57 60 Ba 0.83032358706494 0.81283300423523 0.21207061445360 137.327 > 57 61 Ba 0.33032358706494 0.31283300423523 0.71207061445360 137.327 > 57 62 Ba 0.83032358706494 0.31283300423523 0.71207061445360 137.327 > 57 63 Ba 0.33032358706494 0.81283300423523 0.71207061445360 137.327 > 57 64 Ba 0.83032358706494 0.81283300423523 0.71207061445360 137.327 > 57 65 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 65 66 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 65 67 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 65 68 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 65 70 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 65 71 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 65 72 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 65 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 73 78 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 73 79 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 73 80 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 73 81 O 0.17719023164286 0.04180778936823 0.37363557253290 15.999 > 81 82 O 0.67719023164286 0.04180778936823 0.37363557253290 15.999 > 81 83 O 0.17719023164286 0.54180778936823 0.37363557253290 15.999 > 81 84 O 0.67719023164286 0.54180778936823 0.37363557253290 15.999 > 81 85 O 0.17719023164286 0.04180778936823 0.87363557253290 15.999 > 81 86 O 0.67719023164286 0.04180778936823 0.87363557253290 15.999 > 81 87 O 0.17719023164286 0.54180778936823 0.87363557253290 15.999 > 81 88 O 0.67719023164286 0.54180778936823 0.87363557253290 15.999 > 81 89 O 0.32280976835714 0.29180778936823 0.37636442746710 15.999 > 89 90 O 0.82280976835714 0.29180778936823 0.37636442746710 15.999 > 89 91 O 0.32280976835714 0.79180778936823 0.37636442746710 15.999 > 89 92 O 0.82280976835714 0.79180778936823 0.37636442746710 15.999 > 89 93 O 0.32280976835714 0.29180778936823 0.87636442746710 15.999 > 89 94 O 0.82280976835714 0.29180778936823 0.87636442746710 15.999 > 89 95 O 0.32280976835714 0.79180778936823 0.87636442746710 15.999 > 89 96 O 0.82280976835714 0.79180778936823 0.87636442746710 15.999 > 89 97 O 0.17719023164286 0.20819221063177 0.12363557253290 15.999 > 97 98 O 0.67719023164286 0.20819221063177 0.12363557253290 15.999 > 97 99 O 0.17719023164286 0.70819221063177 0.12363557253290 15.999 > 97 100 O 0.67719023164286 0.70819221063177 0.12363557253290 15.999 > 97 101 O 0.17719023164286 0.20819221063177 0.62363557253290 15.999 > 97 102 O 0.67719023164286 0.20819221063177 0.62363557253290 15.999 > 97 103 O 0.17719023164286 0.70819221063177 0.62363557253290 15.999 > 97 104 O 0.67719023164286 0.70819221063177 0.62363557253290 15.999 > 97 105 O 0.32280976835714 0.45819221063177 0.12636442746710 15.999 > 105 106 O 0.82280976835714 0.45819221063177 0.12636442746710 15.999 > 105 107 O 0.32280976835714 0.95819221063177 0.12636442746710 15.999 > 105 108 O 0.82280976835714 0.95819221063177 0.12636442746710 15.999 > 105 109 O 0.32280976835714 0.45819221063177 0.62636442746710 15.999 > 105 110 O 0.82280976835714 0.45819221063177 0.62636442746710 15.999 > 105 111 O 0.32280976835714 0.95819221063177 0.62636442746710 15.999 > 105 112 O 0.82280976835714 0.95819221063177 0.62636442746710 15.999 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1337772 0.0000000 0.0720799 0.0000000 3.8389158 0.0000000 0.0720405 0.0000000 3.8722285-------------------------- Born effective charges -------------------------- 1 Cs 1.1210372 -0.1068823 0.0734840 -0.0847101 1.3224276 -0.0110859 0.0212362 0.0068226 1.3830471 2 Cs 1.1210372 0.1068823 0.0734840 0.0847101 1.3224276 0.0110859 0.0212362 -0.0068226 1.3830471 3 Cs 1.1210372 0.1068823 0.0734840 0.0847101 1.3224276 0.0110859 0.0212362 -0.0068226 1.3830471 4 Cs 1.1210372 -0.1068823 0.0734840 -0.0847101 1.3224276 -0.0110859 0.0212362 0.0068226 1.3830471 5 Ba 2.7154013 0.3280351 -0.0191254 0.3100366 2.1736189 -0.2421628 0.0344913 -0.3115716 2.0634049 6 Ba 2.7154013 -0.3280351 -0.0191254 -0.3100366 2.1736189 0.2421628 0.0344913 0.3115716 2.0634049 7 Ba 2.7154013 -0.3280351 -0.0191254 -0.3100366 2.1736189 0.2421628 0.0344913 0.3115716 2.0634049 8 Ba 2.7154013 0.3280351 -0.0191254 0.3100366 2.1736189 -0.2421628 0.0344913 -0.3115716 2.0634049 9 O -3.2581727 0.5400455 -0.2709509 0.3674158 -2.0663177 -0.0428603 -0.2194913 0.0546395 -1.8776357 10 O -3.2581727 -0.5400455 -0.2709509 -0.3674158 -2.0663177 0.0428603 -0.2194913 -0.0546395 -1.8776357 11 O -2.2073521 0.2678163 0.0811168 0.1983424 -2.4628877 0.3314471 0.0540182 0.3734881 -2.5076341 12 O -2.2073521 -0.2678163 0.0811168 -0.1983424 -2.4628877 -0.3314471 0.0540182 -0.3734881 -2.5076341 13 O -2.2073521 -0.2678163 0.0811168 -0.1983424 -2.4628877 -0.3314471 0.0540182 -0.3734881 -2.5076341 14 O -2.2073521 0.2678163 0.0811168 0.1983424 -2.4628877 0.3314471 0.0540182 0.3734881 -2.5076341----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000120 (yyy) -0.00000120 (yyy) -0.00000120 (yyy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 7 7 ]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: 0.57, Number of G-points: 307, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/116) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.437 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 1.072 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.361 ( 0.000 0.000 0.000) 0.000 12.022 ( 0.000 0.000 0.000) 0.000 12.470 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/116) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.261 ( 14.196 0.000 2.688) 14.448 0.279 ( 17.208 0.000 -2.967) 17.462 0.515 ( 17.371 0.000 18.970) 25.721 0.927 ( 2.597 0.000 0.295) 2.613 0.934 ( 7.974 0.000 2.035) 8.229 0.958 ( 12.981 0.000 -5.992) 14.297 1.035 ( -1.355 0.000 3.777) 4.013 1.421 ( 11.603 0.000 9.580) 15.047 1.612 ( -4.270 0.000 0.544) 4.304 1.692 ( -4.207 0.000 -1.513) 4.471 1.760 ( 1.042 0.000 -0.764) 1.293 1.809 ( -0.654 0.000 -8.192) 8.218 1.810 ( -0.271 0.000 -0.418) 0.498 2.102 ( -6.677 0.000 1.670) 6.882 2.124 ( 2.219 0.000 3.909) 4.495 2.300 ( -3.322 0.000 3.846) 5.082 2.620 ( 0.426 0.000 1.207) 1.280 2.648 ( -3.911 0.000 -6.307) 7.421 2.909 ( 4.383 0.000 -9.585) 10.540 3.052 ( -1.678 0.000 -1.494) 2.246 3.066 ( 5.206 0.000 10.470) 11.693 3.466 ( -6.726 0.000 0.619) 6.754 3.682 ( 8.729 0.000 -9.193) 12.678 3.876 ( -8.725 0.000 3.989) 9.594 4.091 ( -1.386 0.000 -4.741) 4.939 4.099 ( -6.725 0.000 -1.025) 6.803 4.950 ( 5.789 0.000 -0.592) 5.819 5.382 ( -10.263 0.000 -6.194) 11.987 5.603 ( -9.145 0.000 28.657) 30.081 5.667 ( -2.977 0.000 -0.887) 3.106 6.128 ( 6.071 0.000 1.565) 6.270 6.538 ( -4.129 0.000 10.833) 11.593 6.606 ( 23.721 0.000 -7.324) 24.826 7.047 ( 3.613 0.000 3.445) 4.992 7.677 ( 6.389 0.000 -5.639) 8.522 7.853 ( 12.991 0.000 -23.204) 26.593 8.235 ( -0.929 0.000 1.823) 2.046 9.356 ( 0.150 0.000 -1.026) 1.037 11.550 ( -33.521 0.000 -10.913) 35.253 11.585 ( -17.772 0.000 23.132) 29.170 12.819 ( 22.522 0.000 4.836) 23.036 13.630 ( 11.075 0.000 -31.027) 32.944======================= Grid point 2 (3/116) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.495 ( 11.593 0.000 -4.192) 12.328 0.525 ( 13.581 0.000 3.450) 14.012 0.867 ( 7.824 0.000 13.920) 15.968 0.959 ( 1.582 0.000 -1.203) 1.987 1.121 ( 2.887 0.000 11.312) 11.674 1.152 ( 9.277 0.000 7.207) 11.748 1.232 ( 21.276 0.000 1.062) 21.302 1.448 ( -7.062 0.000 -3.155) 7.735 1.655 ( -4.995 0.000 -3.708) 6.221 1.662 ( 0.803 0.000 -0.622) 1.016 1.694 ( 5.472 0.000 8.572) 10.170 1.807 ( 1.828 0.000 1.994) 2.705 1.898 ( 5.697 0.000 3.266) 6.567 1.953 ( -10.032 0.000 -2.455) 10.328 2.181 ( -0.900 0.000 2.084) 2.270 2.320 ( 0.964 0.000 4.300) 4.407 2.500 ( -3.489 0.000 -5.552) 6.557 2.588 ( -3.482 0.000 -1.909) 3.971 2.884 ( 1.511 0.000 -8.143) 8.282 2.989 ( -3.093 0.000 -3.312) 4.532 3.224 ( -1.977 0.000 11.112) 11.286 3.384 ( -2.425 0.000 -0.373) 2.454 3.719 ( 6.994 0.000 -11.971) 13.864 3.748 ( -5.059 0.000 -0.776) 5.118 3.942 ( -9.856 0.000 -1.318) 9.944 4.019 ( -1.278 0.000 -5.532) 5.677 5.035 ( 5.650 0.000 -3.134) 6.461 5.184 ( -6.683 0.000 -4.136) 7.860 5.645 ( -0.228 0.000 2.860) 2.869 5.750 ( 1.709 0.000 14.975) 15.072 6.139 ( -2.076 0.000 -6.882) 7.188 6.692 ( 1.649 0.000 25.969) 26.021 6.928 ( 14.505 0.000 4.424) 15.165 7.179 ( 6.501 0.000 5.392) 8.446 7.752 ( 11.223 0.000 -10.256) 15.203 7.860 ( 8.354 0.000 -14.108) 16.395 8.235 ( -1.514 0.000 2.370) 2.812 9.357 ( 1.807 0.000 -1.344) 2.252 10.847 ( -35.427 0.000 -13.202) 37.806 11.472 ( -10.885 0.000 5.695) 12.285 13.183 ( 16.057 0.000 2.934) 16.323 13.502 ( 0.712 0.000 -16.654) 16.669======================= Grid point 3 (4/116) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 4.062 0.000 -2.362) 4.699 0.741 ( 6.328 0.000 2.705) 6.882 1.000 ( 6.983 0.000 -0.531) 7.003 1.126 ( 10.686 0.000 8.694) 13.776 1.257 ( -3.797 0.000 -1.513) 4.088 1.321 ( 6.389 0.000 13.534) 14.966 1.337 ( 5.545 0.000 2.594) 6.122 1.454 ( -11.204 0.000 -4.445) 12.054 1.620 ( 3.997 0.000 0.224) 4.003 1.722 ( -3.934 0.000 -0.886) 4.033 1.766 ( 8.478 0.000 3.505) 9.174 1.790 ( -3.229 0.000 -0.554) 3.276 1.897 ( 4.458 0.000 4.531) 6.357 2.023 ( 3.570 0.000 4.436) 5.694 2.128 ( -2.321 0.000 -1.172) 2.600 2.298 ( -0.397 0.000 -3.238) 3.262 2.494 ( -3.696 0.000 -2.883) 4.687 2.573 ( 6.011 0.000 5.983) 8.481 2.767 ( -6.969 0.000 -9.394) 11.697 2.894 ( -3.470 0.000 -4.217) 5.461 3.176 ( -8.518 0.000 4.996) 9.874 3.391 ( 2.897 0.000 1.143) 3.114 3.676 ( -1.968 0.000 -7.941) 8.181 3.760 ( 3.330 0.000 2.949) 4.448 3.788 ( -4.161 0.000 -3.088) 5.182 3.948 ( -1.342 0.000 -5.058) 5.233 5.075 ( 2.757 0.000 -3.038) 4.102 5.081 ( -2.678 0.000 -1.751) 3.200 5.709 ( 3.191 0.000 4.850) 5.806 5.902 ( 3.247 0.000 7.056) 7.768 5.995 ( -6.193 0.000 -6.560) 9.021 6.968 ( 2.027 0.000 21.667) 21.762 7.158 ( 7.100 0.000 5.636) 9.065 7.326 ( 3.748 0.000 6.154) 7.205 7.859 ( 11.713 0.000 -9.135) 14.854 7.867 ( 5.834 0.000 -10.555) 12.060 8.228 ( -1.333 0.000 1.500) 2.007 9.418 ( 7.250 0.000 0.237) 7.254 10.164 ( -30.661 0.000 -11.645) 32.798 11.350 ( -6.217 0.000 0.487) 6.236 13.375 ( -1.316 0.000 -8.431) 8.533 13.406 ( 8.108 0.000 1.331) 8.216======================= Grid point 4 (5/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 0.000 0.000 0.000) 0.000 0.786 ( 0.000 0.000 0.000) 0.000 1.169 ( -0.000 0.000 -0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.339 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 -0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 -0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.488 ( -0.000 0.000 -0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 -0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 -0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.895 ( -0.000 0.000 -0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 -0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 9.635 ( -0.000 0.000 -0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 11.297 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 0.000) 0.000 13.480 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/116) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.217 ( 0.000 11.201 0.000) 11.201 0.263 ( 0.000 13.275 0.000) 13.275 0.543 ( 0.000 26.176 0.000) 26.176 0.558 ( 0.000 11.631 0.000) 11.631 0.820 ( 0.000 -2.182 0.000) 2.182 0.978 ( 0.000 2.626 0.000) 2.626 1.062 ( 0.000 -0.907 0.000) 0.907 1.198 ( 0.000 -2.761 0.000) 2.761 1.582 ( 0.000 -5.948 0.000) 5.948 1.703 ( 0.000 -1.237 0.000) 1.237 1.767 ( 0.000 3.526 0.000) 3.526 1.769 ( 0.000 -5.468 0.000) 5.468 1.929 ( 0.000 1.227 0.000) 1.227 2.042 ( 0.000 -3.637 0.000) 3.637 2.184 ( 0.000 3.051 0.000) 3.051 2.347 ( 0.000 -2.044 0.000) 2.044 2.459 ( 0.000 3.091 0.000) 3.091 2.714 ( 0.000 -0.885 0.000) 0.885 2.831 ( 0.000 -6.958 0.000) 6.958 2.871 ( 0.000 -2.588 0.000) 2.588 3.154 ( 0.000 5.461 0.000) 5.461 3.530 ( 0.000 -7.472 0.000) 7.472 3.912 ( 0.000 -0.216 0.000) 0.216 3.998 ( 0.000 2.418 0.000) 2.418 4.142 ( 0.000 2.062 0.000) 2.062 4.208 ( 0.000 4.112 0.000) 4.112 4.918 ( 0.000 1.027 0.000) 1.027 4.954 ( 0.000 1.969 0.000) 1.969 5.386 ( 0.000 -11.866 0.000) 11.866 5.856 ( 0.000 -19.745 0.000) 19.745 6.125 ( 0.000 -0.089 0.000) 0.089 6.323 ( 0.000 13.447 0.000) 13.447 6.798 ( 0.000 17.588 0.000) 17.588 6.990 ( 0.000 -0.408 0.000) 0.408 7.753 ( 0.000 -4.132 0.000) 4.132 7.784 ( 0.000 -1.915 0.000) 1.915 8.340 ( 0.000 10.177 0.000) 10.177 9.235 ( 0.000 -2.285 0.000) 2.285 11.535 ( 0.000 -0.065 0.000) 0.065 11.976 ( 0.000 -4.747 0.000) 4.747 12.959 ( 0.000 0.066 0.000) 0.066 13.026 ( 0.000 -0.720 0.000) 0.720======================= Grid point 10 (7/116) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.338 ( 9.054 9.077 -0.752) 12.842 0.384 ( 9.972 7.108 8.025) 14.642 0.710 ( 8.461 15.407 11.060) 20.768 0.787 ( 13.304 -2.295 -1.061) 13.542 0.920 ( 6.337 -2.598 7.515) 10.167 0.975 ( 2.200 1.353 0.445) 2.621 1.121 ( 8.952 4.823 0.772) 10.198 1.381 ( 10.119 -3.627 8.801) 13.892 1.592 ( -1.453 -2.352 -0.746) 2.864 1.661 ( -3.150 -2.596 -2.086) 4.584 1.745 ( 1.199 -2.458 1.287) 3.023 1.779 ( 1.168 1.165 -0.421) 1.703 1.855 ( -3.393 2.654 -5.389) 6.899 2.072 ( -1.778 -3.082 3.166) 4.763 2.128 ( -2.884 0.250 1.081) 3.090 2.316 ( -4.125 0.574 2.806) 5.022 2.567 ( 4.296 -2.213 1.751) 5.140 2.668 ( -3.068 1.385 -5.006) 6.032 2.830 ( 2.078 -6.380 -4.033) 7.829 2.934 ( 2.936 -6.883 5.888) 9.521 3.150 ( -0.745 4.667 1.744) 5.037 3.508 ( -0.066 -5.051 -6.599) 8.310 3.778 ( -5.859 11.640 -7.391) 14.981 3.891 ( -2.843 1.777 0.163) 3.357 4.055 ( -5.892 -0.849 -3.722) 7.021 4.193 ( -5.404 5.918 1.402) 8.136 4.962 ( 3.808 -0.172 1.624) 4.144 5.210 ( 0.581 -15.701 9.129) 18.172 5.287 ( 0.548 -6.908 -1.341) 7.058 5.862 ( -0.953 -10.853 -2.029) 11.082 6.039 ( 0.326 4.981 5.210) 7.215 6.529 ( 7.222 4.072 11.386) 14.085 6.828 ( 2.247 13.266 4.528) 14.197 7.052 ( 7.325 2.200 -0.389) 7.659 7.726 ( 2.391 0.727 -3.386) 4.209 7.821 ( 9.617 -3.486 -14.967) 18.129 8.311 ( -0.063 10.355 0.382) 10.363 9.365 ( 4.688 -0.771 1.856) 5.100 11.407 ( -19.941 -5.548 4.829) 21.254 11.662 ( -25.085 -0.500 -6.881) 26.017 12.864 ( 14.154 3.778 3.402) 15.039 13.429 ( 17.239 -12.898 -13.578) 25.453======================= Grid point 11 (8/116) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( 10.630 3.395 -1.896) 11.319 0.622 ( 10.845 6.786 4.379) 13.522 0.894 ( 3.178 -3.421 0.134) 4.671 0.942 ( 5.171 5.684 11.693) 13.992 1.072 ( 5.753 -2.452 8.915) 10.890 1.159 ( 9.735 0.406 6.933) 11.959 1.389 ( 18.870 11.194 3.432) 22.207 1.447 ( -5.156 1.366 -4.878) 7.228 1.600 ( 1.892 -4.542 6.628) 8.255 1.671 ( 0.069 -0.274 3.631) 3.642 1.712 ( -3.053 1.634 -4.782) 5.904 1.810 ( 2.005 0.569 1.825) 2.770 1.856 ( 4.141 -2.415 1.745) 5.101 1.969 ( -5.900 0.536 -0.050) 5.924 2.164 ( -0.483 -3.122 1.830) 3.651 2.283 ( -2.275 -1.785 3.877) 4.837 2.537 ( -3.556 3.260 -6.014) 7.710 2.599 ( -0.088 0.916 -2.046) 2.243 2.816 ( 0.982 -5.457 -5.453) 7.777 2.972 ( -3.036 -4.438 -0.183) 5.380 3.196 ( -0.253 -0.901 7.658) 7.715 3.431 ( -0.427 0.254 -5.984) 6.005 3.694 ( -0.662 3.297 -3.732) 5.024 3.822 ( -1.657 5.403 -5.012) 7.554 3.899 ( -8.883 -2.284 -0.712) 9.199 4.098 ( -3.401 5.578 -4.745) 8.074 5.036 ( 3.682 -0.982 -0.520) 3.846 5.081 ( -7.549 -8.967 -0.751) 11.746 5.432 ( 3.889 -10.281 5.549) 12.313 5.840 ( 0.270 -6.933 -2.232) 7.289 6.170 ( 6.652 9.034 5.146) 12.342 6.720 ( 0.633 1.933 18.937) 19.046 6.983 ( 6.460 4.636 11.021) 13.590 7.205 ( 9.168 3.778 1.334) 10.006 7.757 ( 6.959 -1.020 -8.117) 10.740 7.838 ( 7.851 -2.520 -12.569) 15.032 8.349 ( 2.559 13.096 2.311) 13.543 9.402 ( 1.150 3.488 -0.973) 3.799 10.836 ( -34.446 -1.107 -13.577) 37.042 11.384 ( -11.497 -8.836 2.311) 14.683 13.168 ( 15.444 -1.203 1.924) 15.610 13.449 ( 2.980 -4.750 -12.119) 13.354======================= Grid point 12 (9/116) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( 6.715 3.559 -1.086) 7.677 0.779 ( 2.760 2.735 0.569) 3.927 0.964 ( 8.039 -1.588 2.076) 8.453 1.150 ( 6.574 0.441 10.269) 12.201 1.283 ( 6.931 3.498 4.083) 8.772 1.315 ( 2.655 1.701 2.240) 3.868 1.362 ( 2.120 1.951 3.640) 4.642 1.468 ( -11.263 0.722 -2.209) 11.500 1.646 ( -3.252 -3.628 -1.308) 5.045 1.689 ( -3.600 3.368 -1.638) 5.194 1.774 ( 8.801 0.761 4.338) 9.842 1.857 ( 7.045 3.367 0.683) 7.838 1.884 ( 0.653 1.581 4.458) 4.775 2.019 ( 4.175 -0.618 5.853) 7.216 2.138 ( 0.048 -0.043 -0.833) 0.835 2.247 ( -2.356 -4.141 -3.011) 5.636 2.482 ( -0.710 0.820 -3.583) 3.743 2.606 ( 2.696 1.878 3.120) 4.531 2.740 ( -4.405 -2.505 -7.617) 9.149 2.859 ( -6.444 -3.742 -3.304) 8.152 3.201 ( -5.256 1.376 4.879) 7.302 3.420 ( 4.652 0.421 -3.176) 5.648 3.651 ( -4.315 0.822 -1.036) 4.514 3.752 ( -2.017 -1.628 -2.857) 3.857 3.814 ( 0.282 3.813 2.040) 4.334 3.998 ( -2.096 4.417 -7.026) 8.560 4.984 ( -3.607 -8.217 -0.102) 8.974 5.071 ( 1.870 -0.791 -1.650) 2.616 5.532 ( 2.419 -10.559 5.638) 12.212 5.794 ( -1.821 -9.244 -4.575) 10.473 6.303 ( 4.743 20.730 1.518) 21.319 6.923 ( 1.433 -4.371 18.194) 18.766 7.196 ( 5.021 3.326 11.555) 13.031 7.342 ( 4.360 2.312 2.370) 5.475 7.796 ( 5.936 -4.948 -7.289) 10.623 7.850 ( 5.872 -1.884 -10.000) 11.749 8.426 ( 3.979 18.743 1.616) 19.229 9.441 ( 5.453 2.105 0.288) 5.852 10.156 ( -30.108 -0.699 -12.494) 32.605 11.239 ( -6.341 -11.579 -0.538) 13.213 13.357 ( 3.202 -1.586 -5.343) 6.428 13.397 ( 4.557 -0.942 -0.652) 4.699======================= Grid point 13 (10/116) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 0.000 5.910 -0.000) 5.910 0.784 ( 0.000 -0.592 0.000) 0.592 1.134 ( 0.000 -2.271 0.000) 2.271 1.213 ( -0.000 1.685 -0.000) 1.685 1.303 ( 0.000 6.991 -0.000) 6.991 1.338 ( 0.000 -0.139 0.000) 0.139 1.413 ( 0.000 -0.952 -0.000) 0.952 1.516 ( -0.000 -0.642 -0.000) 0.642 1.518 ( 0.000 -1.388 0.000) 1.388 1.595 ( 0.000 2.653 -0.000) 2.653 1.792 ( 0.000 5.720 -0.000) 5.720 1.937 ( 0.000 -1.673 0.000) 1.673 1.954 ( 0.000 0.672 -0.000) 0.672 2.160 ( 0.000 -6.037 0.000) 6.037 2.173 ( -0.000 0.374 -0.000) 0.374 2.191 ( -0.000 5.581 -0.000) 5.581 2.485 ( -0.000 -0.224 -0.000) 0.224 2.552 ( 0.000 -0.704 0.000) 0.704 2.671 ( -0.000 0.431 -0.000) 0.431 2.783 ( 0.000 -3.990 -0.000) 3.990 3.174 ( 0.000 3.034 -0.000) 3.034 3.515 ( 0.000 -3.963 0.000) 3.963 3.525 ( -0.000 3.580 0.000) 3.580 3.734 ( 0.000 1.134 0.000) 1.134 3.883 ( 0.000 -1.397 0.000) 1.397 3.903 ( -0.000 6.672 -0.000) 6.672 4.953 ( 0.000 -8.139 0.000) 8.139 5.078 ( 0.000 -0.755 -0.000) 0.755 5.595 ( 0.000 -12.149 0.000) 12.149 5.737 ( 0.000 -7.868 -0.000) 7.868 6.350 ( 0.000 23.239 -0.000) 23.239 7.031 ( 0.000 -6.037 0.000) 6.037 7.306 ( 0.000 5.760 0.000) 5.760 7.388 ( 0.000 -0.358 0.000) 0.358 7.814 ( 0.000 -7.357 -0.000) 7.357 7.851 ( -0.000 -1.526 0.000) 1.526 8.478 ( 0.000 21.954 0.000) 21.954 9.631 ( 0.000 -0.545 0.000) 0.545 9.678 ( -0.000 0.322 -0.000) 0.322 11.180 ( -0.000 -12.285 0.000) 12.285 13.330 ( 0.000 0.794 0.000) 0.794 13.459 ( 0.000 -2.115 -0.000) 2.115======================= Grid point 18 (11/116) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( 0.000 10.659 0.000) 10.659 0.489 ( 0.000 10.665 0.000) 10.665 0.711 ( 0.000 -3.252 0.000) 3.252 0.808 ( 0.000 13.328 0.000) 13.328 0.889 ( 0.000 2.448 0.000) 2.448 1.049 ( 0.000 0.244 0.000) 0.244 1.111 ( 0.000 -3.773 0.000) 3.773 1.203 ( 0.000 20.675 0.000) 20.675 1.453 ( 0.000 -6.838 0.000) 6.838 1.661 ( 0.000 -5.237 0.000) 5.237 1.704 ( 0.000 1.251 0.000) 1.251 1.804 ( 0.000 -1.408 0.000) 1.408 1.922 ( 0.000 -3.155 0.000) 3.155 1.991 ( 0.000 -0.706 0.000) 0.706 2.252 ( 0.000 4.437 0.000) 4.437 2.282 ( 0.000 -3.420 0.000) 3.420 2.474 ( 0.000 -4.960 0.000) 4.960 2.642 ( 0.000 -4.721 0.000) 4.721 2.747 ( 0.000 -1.926 0.000) 1.926 2.812 ( 0.000 -3.542 0.000) 3.542 3.251 ( 0.000 4.909 0.000) 4.909 3.424 ( 0.000 -3.196 0.000) 3.196 3.904 ( 0.000 -0.084 0.000) 0.084 4.014 ( 0.000 -0.998 0.000) 0.998 4.246 ( 0.000 9.025 0.000) 9.025 4.298 ( 0.000 5.331 0.000) 5.331 4.858 ( 0.000 -7.545 0.000) 7.545 4.979 ( 0.000 -0.750 0.000) 0.750 5.259 ( 0.000 -1.314 0.000) 1.314 5.485 ( 0.000 -17.377 0.000) 17.377 6.166 ( 0.000 3.761 0.000) 3.761 6.475 ( 0.000 0.752 0.000) 0.752 7.043 ( 0.000 7.225 0.000) 7.225 7.089 ( 0.000 12.911 0.000) 12.911 7.678 ( 0.000 -3.654 0.000) 3.654 7.726 ( 0.000 -4.221 0.000) 4.221 8.574 ( 0.000 14.045 0.000) 14.045 9.168 ( 0.000 -5.054 0.000) 5.054 11.545 ( 0.000 1.368 0.000) 1.368 11.856 ( 0.000 -7.637 0.000) 7.637 12.962 ( 0.000 0.293 0.000) 0.293 13.008 ( 0.000 -1.116 0.000) 1.116======================= Grid point 19 (12/116) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( 5.102 8.008 4.332) 10.436 0.539 ( 5.802 8.743 4.174) 11.293 0.809 ( 5.188 -0.885 2.396) 5.782 0.864 ( 2.945 1.052 5.136) 6.014 0.915 ( 4.141 3.980 4.631) 7.378 1.056 ( 1.620 6.339 1.945) 6.826 1.251 ( 9.285 0.226 6.048) 11.083 1.332 ( 10.085 8.981 4.720) 14.305 1.537 ( 7.819 -4.702 3.257) 9.688 1.604 ( -2.967 -1.310 -2.789) 4.278 1.717 ( 0.630 0.241 0.104) 0.682 1.802 ( -0.142 -0.549 -0.817) 0.995 1.896 ( -2.187 0.314 -0.685) 2.313 2.006 ( -0.803 -2.672 3.150) 4.208 2.169 ( -5.477 4.415 -2.786) 7.567 2.290 ( -1.442 -2.708 2.800) 4.153 2.511 ( 4.245 -6.266 -1.320) 7.683 2.641 ( -1.029 -4.920 -0.697) 5.075 2.743 ( -0.024 -1.506 -0.982) 1.798 2.822 ( 1.181 -4.769 0.204) 4.917 3.230 ( -2.734 4.116 1.244) 5.096 3.412 ( 0.811 -3.378 -4.050) 5.336 3.885 ( -4.018 1.643 1.026) 4.460 3.966 ( -1.327 1.585 -4.211) 4.691 4.116 ( -6.142 9.512 -7.422) 13.539 4.295 ( -5.621 5.149 2.950) 8.173 4.889 ( 0.822 -7.837 4.177) 8.919 4.991 ( -4.611 -8.331 5.743) 11.120 5.250 ( 5.090 1.582 -3.991) 6.659 5.562 ( 6.907 -15.190 -2.394) 16.857 6.175 ( 0.536 6.788 6.270) 9.257 6.559 ( 5.288 -2.769 5.437) 8.074 7.043 ( -5.217 10.796 12.404) 17.252 7.170 ( 10.448 9.016 -4.964) 14.666 7.688 ( 2.918 -3.397 -3.269) 5.545 7.744 ( 5.350 -4.660 -6.905) 9.900 8.584 ( 2.271 17.027 1.208) 17.220 9.305 ( 8.442 -5.698 4.914) 11.309 11.350 ( -20.038 -0.929 -1.606) 20.124 11.588 ( -21.538 -6.297 -12.155) 25.520 12.939 ( 8.783 4.171 1.163) 9.792 13.245 ( 14.062 -7.573 -4.385) 16.562======================= Grid point 20 (13/116) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 5.123 6.026 0.509) 7.925 0.745 ( 8.317 5.540 5.343) 11.332 0.852 ( 0.273 -0.122 3.500) 3.513 1.018 ( 5.989 -3.278 9.553) 11.742 1.073 ( 5.261 6.918 5.861) 10.483 1.170 ( 9.299 1.271 5.098) 10.681 1.437 ( 4.635 -5.321 2.327) 7.430 1.554 ( 5.131 2.144 4.261) 7.006 1.571 ( 1.824 5.207 4.019) 6.826 1.680 ( 1.431 0.475 2.027) 2.527 1.711 ( 1.977 0.067 -1.757) 2.646 1.829 ( 5.772 1.311 -0.558) 5.945 1.869 ( 1.177 4.192 1.075) 4.484 1.988 ( -2.354 1.566 2.195) 3.579 2.095 ( -1.736 -0.834 -1.740) 2.595 2.270 ( -3.536 -0.694 2.319) 4.285 2.553 ( 0.023 -3.556 0.115) 3.558 2.612 ( 3.510 -1.580 -6.899) 7.900 2.714 ( -1.625 -3.628 -1.702) 4.324 2.835 ( -1.796 -7.978 1.025) 8.242 3.203 ( -2.340 1.355 2.842) 3.923 3.384 ( 1.909 -2.808 -6.100) 6.981 3.808 ( -5.090 5.348 0.623) 7.409 3.864 ( -9.002 -0.972 -2.032) 9.279 3.981 ( -0.780 11.162 -5.914) 12.656 4.194 ( -5.182 4.623 -2.892) 7.522 4.898 ( -5.711 -8.468 5.330) 11.521 4.987 ( -0.571 -5.464 5.876) 8.044 5.322 ( 6.168 -1.912 -4.000) 7.597 5.615 ( 3.395 -12.988 -5.225) 14.406 6.350 ( 9.860 7.799 10.733) 16.531 6.709 ( 4.261 -3.815 7.955) 9.798 7.114 ( -1.355 10.010 15.614) 18.597 7.314 ( 8.957 6.845 -0.727) 11.296 7.705 ( 3.567 -3.761 -5.298) 7.412 7.769 ( 6.760 -4.668 -9.518) 12.573 8.686 ( 6.643 20.955 3.536) 22.265 9.434 ( 2.937 -1.153 1.767) 3.616 10.818 ( -31.877 -0.357 -14.578) 35.054 11.179 ( -15.296 -12.120 -5.344) 20.234 13.158 ( 13.205 0.435 0.310) 13.215 13.354 ( 5.747 -5.125 -6.013) 9.770======================= Grid point 21 (14/116) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 5.049 2.491 0.798) 5.687 0.782 ( -1.143 -1.691 -0.874) 2.220 1.011 ( 7.996 6.048 4.979) 11.194 1.145 ( 4.568 -0.110 7.040) 8.393 1.295 ( 8.492 -0.759 8.464) 12.014 1.356 ( 6.145 0.984 3.849) 7.317 1.426 ( -8.017 -1.607 -0.054) 8.177 1.505 ( -0.930 2.444 -2.777) 3.815 1.609 ( -3.235 4.801 0.357) 5.800 1.729 ( -1.108 -1.076 -0.674) 1.685 1.756 ( 2.731 0.282 2.784) 3.910 1.879 ( 3.218 -1.660 2.092) 4.182 1.983 ( 1.120 4.453 -2.682) 5.318 2.045 ( 4.082 5.645 2.693) 7.469 2.115 ( 7.620 0.789 6.637) 10.136 2.208 ( -1.236 -0.272 -2.078) 2.433 2.538 ( -0.855 3.931 -5.126) 6.516 2.613 ( 0.544 -1.437 1.937) 2.473 2.679 ( -0.078 -4.455 -4.978) 6.681 2.756 ( -5.775 -6.867 -1.752) 9.142 3.192 ( -2.344 -1.376 2.388) 3.618 3.390 ( 5.107 -2.682 -3.988) 7.013 3.650 ( -10.353 -0.317 -1.092) 10.416 3.797 ( -1.691 1.870 3.846) 4.599 3.927 ( -0.920 10.091 -3.283) 10.652 4.092 ( -2.112 5.416 -5.431) 7.956 4.854 ( -4.201 -4.666 4.093) 7.495 5.028 ( 0.590 -4.334 1.784) 4.724 5.381 ( 2.970 -5.453 0.474) 6.227 5.591 ( 0.330 -11.319 -5.456) 12.569 6.609 ( 10.041 9.978 3.257) 14.525 6.835 ( 0.902 -4.304 10.143) 11.055 7.275 ( 1.300 6.211 16.915) 18.066 7.427 ( 4.778 6.234 -1.324) 7.965 7.709 ( 2.008 -4.172 -3.724) 5.942 7.792 ( 6.005 -4.454 -9.153) 11.818 8.848 ( 7.667 24.560 3.941) 26.029 9.479 ( 2.934 1.335 1.178) 3.432 10.155 ( -28.363 1.324 -14.621) 31.938 10.941 ( -7.972 -19.597 -3.852) 21.504 13.328 ( 6.426 -1.219 -2.361) 6.954 13.372 ( 2.779 -1.670 -1.646) 3.636======================= Grid point 22 (15/116) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 0.000 0.786 0.000) 0.786 0.758 ( -0.000 -1.755 -0.000) 1.755 1.124 ( 0.000 1.386 0.000) 1.386 1.259 ( -0.000 2.919 -0.000) 2.919 1.342 ( -0.000 0.896 -0.000) 0.896 1.359 ( 0.000 -2.678 0.000) 2.678 1.447 ( 0.000 0.313 -0.000) 0.313 1.489 ( -0.000 -1.177 -0.000) 1.177 1.568 ( 0.000 11.619 0.000) 11.619 1.680 ( -0.000 3.414 -0.000) 3.414 1.816 ( -0.000 -1.255 -0.000) 1.255 1.937 ( 0.000 -5.007 0.000) 5.007 1.954 ( 0.000 -4.968 0.000) 4.968 2.047 ( -0.000 7.820 -0.000) 7.820 2.184 ( -0.000 1.181 0.000) 1.181 2.367 ( -0.000 9.031 -0.000) 9.031 2.483 ( 0.000 0.022 0.000) 0.022 2.528 ( 0.000 -1.677 0.000) 1.677 2.672 ( 0.000 -0.632 -0.000) 0.632 2.702 ( 0.000 -5.170 0.000) 5.170 3.179 ( 0.000 -1.648 -0.000) 1.648 3.472 ( 0.000 -7.578 0.000) 7.578 3.501 ( 0.000 3.012 0.000) 3.012 3.813 ( 0.000 -2.199 0.000) 2.199 3.902 ( -0.000 10.315 0.000) 10.315 4.041 ( -0.000 7.479 -0.000) 7.479 4.837 ( 0.000 -3.234 0.000) 3.234 5.040 ( 0.000 -3.725 -0.000) 3.725 5.416 ( 0.000 -7.263 0.000) 7.263 5.559 ( 0.000 -10.217 -0.000) 10.217 6.703 ( 0.000 12.681 -0.000) 12.681 6.902 ( -0.000 -6.607 0.000) 6.607 7.404 ( 0.000 3.225 0.000) 3.225 7.436 ( 0.000 7.458 -0.000) 7.458 7.709 ( 0.000 -3.913 -0.000) 3.913 7.799 ( 0.000 -4.244 0.000) 4.244 8.952 ( -0.000 27.138 -0.000) 27.138 9.610 ( 0.000 -1.922 0.000) 1.922 9.710 ( -0.000 4.118 -0.000) 4.118 10.853 ( -0.000 -22.225 0.000) 22.225 13.345 ( 0.000 0.670 0.000) 0.670 13.412 ( -0.000 -2.542 -0.000) 2.542======================= Grid point 27 (16/116) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 0.000 6.937 0.000) 6.937 0.655 ( 0.000 8.303 0.000) 8.303 0.661 ( 0.000 -1.817 0.000) 1.817 0.825 ( 0.000 -8.064 0.000) 8.064 0.970 ( 0.000 3.912 0.000) 3.912 1.030 ( 0.000 -3.229 0.000) 3.229 1.142 ( 0.000 9.699 0.000) 9.699 1.315 ( 0.000 -8.032 0.000) 8.032 1.602 ( 0.000 12.199 0.000) 12.199 1.607 ( 0.000 0.205 0.000) 0.205 1.743 ( 0.000 0.990 0.000) 0.990 1.763 ( 0.000 6.587 0.000) 6.587 1.836 ( 0.000 -5.236 0.000) 5.236 1.966 ( 0.000 -5.210 0.000) 5.210 2.191 ( 0.000 -2.785 0.000) 2.785 2.257 ( 0.000 -12.141 0.000) 12.141 2.425 ( 0.000 10.529 0.000) 10.529 2.585 ( 0.000 -4.897 0.000) 4.897 2.732 ( 0.000 -0.202 0.000) 0.202 2.745 ( 0.000 -2.447 0.000) 2.447 3.334 ( 0.000 3.765 0.000) 3.765 3.386 ( 0.000 -1.908 0.000) 1.908 3.923 ( 0.000 2.121 0.000) 2.121 3.974 ( 0.000 -2.908 0.000) 2.908 4.403 ( 0.000 5.443 0.000) 5.443 4.421 ( 0.000 6.478 0.000) 6.478 4.736 ( 0.000 -1.659 0.000) 1.659 4.865 ( 0.000 -10.868 0.000) 10.868 5.266 ( 0.000 0.643 0.000) 0.643 5.289 ( 0.000 -3.555 0.000) 3.555 6.260 ( 0.000 6.285 0.000) 6.285 6.392 ( 0.000 -7.215 0.000) 7.215 7.210 ( 0.000 8.059 0.000) 8.059 7.256 ( 0.000 4.042 0.000) 4.042 7.622 ( 0.000 -1.913 0.000) 1.913 7.640 ( 0.000 -4.013 0.000) 4.013 8.833 ( 0.000 12.976 0.000) 12.976 9.039 ( 0.000 -8.922 0.000) 8.922 11.598 ( 0.000 4.493 0.000) 4.493 11.711 ( 0.000 -7.393 0.000) 7.393 12.971 ( 0.000 0.683 0.000) 0.683 12.987 ( 0.000 -1.052 0.000) 1.052======================= Grid point 28 (17/116) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 4.412 5.584 5.774) 9.165 0.673 ( 2.958 4.528 2.554) 5.981 0.755 ( 4.959 -1.382 3.494) 6.222 0.828 ( -1.168 -4.959 1.681) 5.365 1.026 ( 6.312 6.412 2.733) 9.403 1.143 ( 7.382 -5.763 5.000) 10.617 1.201 ( 2.419 8.738 5.077) 10.391 1.381 ( 3.459 -9.043 5.110) 10.947 1.620 ( 1.680 6.068 2.422) 6.746 1.634 ( 2.860 6.087 -0.223) 6.729 1.748 ( -0.235 2.072 -0.186) 2.093 1.801 ( 5.487 5.764 -0.623) 7.982 1.843 ( -0.269 -5.093 2.244) 5.572 1.955 ( -0.877 -5.121 0.925) 5.277 2.191 ( 0.219 -0.128 2.266) 2.280 2.295 ( 1.350 -8.448 -0.409) 8.565 2.386 ( -0.247 6.774 -3.100) 7.454 2.542 ( -2.463 -6.537 -3.572) 7.846 2.735 ( 0.323 0.080 -0.557) 0.648 2.754 ( 0.242 -2.359 -0.416) 2.408 3.308 ( -3.083 4.044 0.649) 5.127 3.368 ( -1.451 -2.322 -0.774) 2.845 3.916 ( -1.316 1.901 -0.100) 2.314 3.952 ( -1.678 -1.758 -2.072) 3.194 4.313 ( -5.061 9.043 -5.696) 11.825 4.381 ( -5.523 2.488 -0.611) 6.088 4.756 ( -1.041 -2.971 5.959) 6.740 4.836 ( -4.873 -8.830 6.428) 11.960 5.290 ( 5.716 2.554 -4.739) 7.852 5.363 ( 7.237 -6.207 -3.374) 10.114 6.302 ( 2.501 7.235 6.142) 9.814 6.447 ( 3.592 -7.851 5.173) 10.065 7.239 ( -0.196 8.761 6.304) 10.795 7.300 ( 4.487 3.046 0.997) 5.514 7.631 ( 2.823 -1.967 -3.564) 4.953 7.653 ( 4.155 -4.195 -5.249) 7.900 8.899 ( 5.619 15.798 3.711) 17.174 9.151 ( 8.125 -10.932 5.300) 14.616 11.370 ( -20.492 3.098 -7.075) 21.899 11.462 ( -20.621 -6.427 -11.030) 24.253 13.023 ( 8.745 4.914 -0.404) 10.039 13.123 ( 10.828 -5.806 -1.683) 12.401======================= Grid point 29 (18/116) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( 0.370 5.203 2.007) 5.589 0.778 ( -1.159 -1.884 1.729) 2.808 0.889 ( 8.785 3.125 9.249) 13.133 0.951 ( 9.225 -3.585 10.292) 14.279 1.202 ( 8.326 5.595 4.139) 10.852 1.244 ( 0.936 8.004 1.345) 8.170 1.317 ( 6.124 -5.837 5.120) 9.889 1.445 ( -3.146 -10.367 4.034) 11.561 1.663 ( 2.070 2.606 0.035) 3.328 1.698 ( 3.577 -0.891 -0.114) 3.688 1.762 ( 0.935 6.425 2.270) 6.878 1.861 ( -0.216 -3.226 1.962) 3.782 1.943 ( 10.323 6.745 2.483) 12.579 2.002 ( 4.671 0.446 3.080) 5.612 2.207 ( -1.202 7.444 -4.652) 8.860 2.247 ( -2.410 -0.544 1.347) 2.814 2.424 ( 2.117 -6.197 2.759) 7.106 2.493 ( 3.695 -8.534 -4.176) 10.194 2.706 ( -2.347 0.570 -2.511) 3.483 2.732 ( -2.020 -2.893 -1.579) 3.866 3.258 ( -3.008 4.265 0.194) 5.223 3.333 ( -0.836 -3.273 -2.033) 3.943 3.858 ( -7.484 0.565 -2.520) 7.917 3.863 ( -4.766 0.554 -0.184) 4.801 4.186 ( -2.862 8.967 -5.224) 10.765 4.260 ( -5.349 1.252 -2.887) 6.206 4.792 ( -3.113 -1.654 9.078) 9.739 4.858 ( -1.885 -7.200 9.412) 11.999 5.330 ( 5.396 2.438 -7.821) 9.810 5.420 ( 4.735 -7.506 -6.660) 11.096 6.473 ( 7.954 6.268 10.341) 14.474 6.599 ( 6.368 -7.022 8.040) 12.430 7.318 ( 1.052 10.049 9.246) 13.696 7.411 ( 5.112 1.560 4.615) 7.061 7.641 ( 3.408 -2.041 -5.886) 7.101 7.674 ( 5.497 -4.741 -7.808) 10.661 9.066 ( 8.257 18.398 5.706) 20.958 9.335 ( 6.652 -9.853 5.215) 12.982 10.843 ( -27.961 3.696 -15.122) 32.002 10.968 ( -21.967 -9.555 -12.355) 26.953 13.190 ( 10.345 2.994 -1.055) 10.821 13.263 ( 7.906 -4.558 -2.761) 9.534======================= Grid point 30 (19/116) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 0.495 1.408 1.456) 2.084 0.753 ( -1.858 -1.268 0.865) 2.410 1.138 ( 6.336 5.670 5.674) 10.222 1.158 ( 6.357 1.320 7.182) 9.682 1.272 ( 3.446 -0.079 5.831) 6.773 1.351 ( -5.272 -5.625 0.995) 7.774 1.386 ( 5.139 2.183 3.132) 6.402 1.447 ( 3.855 -4.353 1.092) 5.916 1.700 ( 0.977 0.339 -1.228) 1.606 1.734 ( 0.956 -1.401 -0.737) 1.849 1.779 ( 0.050 5.625 1.235) 5.759 1.859 ( -1.735 -2.192 0.169) 2.801 2.035 ( -0.960 5.729 -3.239) 6.650 2.130 ( 2.772 -1.910 0.657) 3.429 2.202 ( 1.014 7.082 2.855) 7.703 2.257 ( 10.623 4.802 2.815) 11.993 2.515 ( 2.834 -5.078 6.615) 8.808 2.563 ( 2.820 -7.380 -0.295) 7.906 2.614 ( -2.969 2.221 -5.905) 6.973 2.657 ( -2.915 -2.985 -4.409) 6.070 3.215 ( -1.803 4.100 -0.714) 4.535 3.313 ( 0.788 -5.408 -2.078) 5.846 3.688 ( -8.884 3.998 -1.265) 9.824 3.769 ( -5.660 -3.861 0.530) 6.872 4.120 ( -0.983 8.121 -2.627) 8.592 4.176 ( -1.565 2.114 -2.817) 3.854 4.822 ( -2.434 1.597 7.136) 7.707 4.913 ( -0.751 -7.021 6.185) 9.387 5.335 ( 2.809 0.749 -5.076) 5.850 5.411 ( 1.897 -7.260 -6.069) 9.650 6.701 ( 7.696 2.715 6.966) 10.730 6.763 ( 4.095 -3.803 6.017) 8.212 7.437 ( 1.198 9.682 11.372) 14.983 7.534 ( 3.278 3.039 4.681) 6.472 7.637 ( 1.811 -2.807 -3.971) 5.189 7.690 ( 5.603 -5.837 -9.267) 12.302 9.263 ( 8.034 17.584 6.353) 20.350 9.461 ( 3.939 -4.390 3.978) 7.115 10.249 ( -23.519 10.262 -15.320) 29.886 10.551 ( -13.887 -20.540 -9.818) 26.667 13.320 ( 5.851 0.397 -1.370) 6.022 13.340 ( 3.980 -1.604 -1.423) 4.521======================= Grid point 31 (20/116) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 0.000 -0.255 0.000) 0.255 0.747 ( 0.000 -0.979 -0.000) 0.979 1.176 ( 0.000 3.916 0.000) 3.916 1.259 ( -0.000 -4.248 -0.000) 4.248 1.343 ( 0.000 2.491 0.000) 2.491 1.365 ( -0.000 0.741 -0.000) 0.741 1.451 ( -0.000 0.740 -0.000) 0.740 1.469 ( 0.000 -1.092 0.000) 1.092 1.685 ( -0.000 -0.811 -0.000) 0.811 1.718 ( 0.000 -2.199 0.000) 2.199 1.806 ( -0.000 1.386 0.000) 1.386 1.822 ( 0.000 0.938 0.000) 0.938 2.012 ( 0.000 5.504 0.000) 5.504 2.105 ( -0.000 -2.625 0.000) 2.625 2.299 ( -0.000 10.972 -0.000) 10.972 2.471 ( 0.000 -1.921 0.000) 1.921 2.485 ( -0.000 0.252 -0.000) 0.252 2.499 ( -0.000 -1.435 0.000) 1.435 2.594 ( 0.000 -2.297 0.000) 2.297 2.639 ( 0.000 -3.007 -0.000) 3.007 3.193 ( 0.000 4.019 0.000) 4.019 3.314 ( -0.000 -8.237 0.000) 8.237 3.595 ( 0.000 6.307 0.000) 6.307 3.718 ( 0.000 -6.454 0.000) 6.454 4.101 ( -0.000 7.993 0.000) 7.993 4.150 ( 0.000 2.794 -0.000) 2.794 4.836 ( 0.000 2.951 0.000) 2.951 4.936 ( 0.000 -6.737 -0.000) 6.737 5.337 ( 0.000 -0.753 0.000) 0.753 5.394 ( 0.000 -6.583 0.000) 6.583 6.811 ( 0.000 0.783 -0.000) 0.783 6.820 ( -0.000 -1.848 0.000) 1.848 7.527 ( -0.000 8.862 0.000) 8.862 7.563 ( 0.000 5.727 -0.000) 5.727 7.648 ( 0.000 -3.369 -0.000) 3.369 7.688 ( -0.000 -7.525 0.000) 7.525 9.384 ( -0.000 15.707 -0.000) 15.707 9.551 ( 0.000 -4.751 0.000) 4.751 9.906 ( 0.000 19.342 0.000) 19.342 10.378 ( -0.000 -27.573 0.000) 27.573 13.356 ( 0.000 0.590 0.000) 0.590 13.374 ( -0.000 -1.476 -0.000) 1.476======================= Grid point 63 (21/116) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.252 ( -3.307 0.000 12.202) 12.643 0.254 ( -11.557 0.000 9.398) 14.896 0.520 ( -0.376 0.000 8.397) 8.406 0.649 ( 5.151 0.000 30.090) 30.527 0.878 ( 1.852 0.000 -1.623) 2.463 0.930 ( 4.097 0.000 6.891) 8.017 1.088 ( -1.485 0.000 2.409) 2.830 1.373 ( 8.757 0.000 11.307) 14.302 1.633 ( 0.972 0.000 0.157) 0.984 1.700 ( 3.343 0.000 -3.874) 5.117 1.711 ( 3.610 0.000 -1.786) 4.028 1.798 ( -14.225 0.000 -7.982) 16.311 1.820 ( -1.721 0.000 -1.041) 2.012 2.068 ( 5.331 0.000 -1.466) 5.529 2.150 ( -0.285 0.000 -3.104) 3.117 2.312 ( 5.698 0.000 -0.326) 5.708 2.450 ( 10.234 0.000 -0.641) 10.254 2.642 ( -4.495 0.000 -5.762) 7.308 2.781 ( 3.550 0.000 -6.403) 7.321 2.991 ( 1.382 0.000 -7.391) 7.520 3.078 ( 4.024 0.000 7.711) 8.698 3.488 ( 3.089 0.000 -3.350) 4.557 3.680 ( -12.267 0.000 3.322) 12.708 4.100 ( -3.892 0.000 -1.822) 4.298 4.137 ( -0.806 0.000 -2.057) 2.209 4.177 ( -10.345 0.000 0.602) 10.363 4.819 ( 4.106 0.000 -6.402) 7.605 5.122 ( 22.600 0.000 -6.122) 23.414 5.585 ( 4.345 0.000 -7.385) 8.568 5.777 ( 2.002 0.000 8.107) 8.350 6.107 ( 2.215 0.000 6.159) 6.546 6.176 ( 11.882 0.000 -7.066) 13.825 6.839 ( -5.747 0.000 22.181) 22.913 7.073 ( 1.421 0.000 3.404) 3.688 7.592 ( -4.052 0.000 -5.026) 6.456 8.213 ( -12.931 0.000 -2.741) 13.218 8.550 ( -59.303 0.000 3.453) 59.403 9.331 ( 0.318 0.000 -2.870) 2.887 11.521 ( 61.802 0.000 -0.186) 61.803 11.937 ( -20.723 0.000 -6.998) 21.872 12.525 ( 14.753 0.000 4.392) 15.393 13.010 ( -15.487 0.000 -2.976) 15.770======================= Grid point 64 (22/116) =======================q-point: ( 0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.267 ( 7.023 0.000 6.299) 9.434 0.408 ( 7.671 0.000 10.087) 12.673 0.747 ( 14.087 0.000 -1.978) 14.226 0.914 ( 2.823 0.000 -1.339) 3.124 1.074 ( 9.782 0.000 16.194) 18.919 1.093 ( 9.451 0.000 14.824) 17.581 1.157 ( 4.472 0.000 6.267) 7.699 1.510 ( -8.590 0.000 -7.516) 11.414 1.619 ( 7.270 0.000 5.916) 9.373 1.657 ( 0.670 0.000 0.473) 0.820 1.737 ( -0.677 0.000 1.235) 1.409 1.770 ( 3.043 0.000 0.778) 3.141 1.800 ( 6.187 0.000 -1.653) 6.404 2.047 ( -5.090 0.000 -7.035) 8.683 2.145 ( 4.301 0.000 -3.621) 5.623 2.390 ( 0.722 0.000 4.755) 4.810 2.481 ( -5.083 0.000 -7.327) 8.917 2.540 ( 2.435 0.000 -3.384) 4.168 2.783 ( 2.125 0.000 -5.242) 5.656 2.923 ( 0.574 0.000 -10.562) 10.577 3.289 ( 8.608 0.000 9.704) 12.972 3.492 ( -1.996 0.000 -6.180) 6.495 3.532 ( -4.273 0.000 5.415) 6.898 3.925 ( -13.486 0.000 -2.451) 13.707 4.020 ( -6.551 0.000 0.780) 6.597 4.053 ( -5.689 0.000 -3.157) 6.506 4.855 ( 6.745 0.000 -7.064) 9.767 5.186 ( -0.901 0.000 -7.794) 7.846 5.607 ( 4.395 0.000 -2.873) 5.251 5.767 ( 4.591 0.000 -6.896) 8.284 6.170 ( -2.433 0.000 4.337) 4.973 6.615 ( 24.386 0.000 9.037) 26.007 6.998 ( -0.855 0.000 25.044) 25.059 7.166 ( 5.515 0.000 2.582) 6.089 7.512 ( 2.904 0.000 -8.819) 9.285 7.807 ( -13.460 0.000 2.794) 13.747 8.350 ( -4.935 0.000 8.971) 10.239 9.310 ( 0.861 0.000 -3.224) 3.337 11.318 ( -36.479 0.000 -10.499) 37.960 11.747 ( -10.892 0.000 0.083) 10.892 12.917 ( 20.704 0.000 4.434) 21.173 13.085 ( 18.624 0.000 -16.907) 25.153======================= Grid point 65 (23/116) =======================q-point: ( 0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.472 ( 9.140 0.000 3.118) 9.658 0.649 ( 9.951 0.000 7.600) 12.522 0.930 ( 1.238 0.000 -0.990) 1.585 0.945 ( 13.357 0.000 -2.565) 13.602 1.175 ( 3.338 0.000 -5.654) 6.566 1.325 ( 7.488 0.000 6.775) 10.098 1.375 ( -0.988 0.000 4.212) 4.326 1.543 ( 11.561 0.000 16.051) 19.782 1.565 ( -7.861 0.000 -3.933) 8.790 1.680 ( 1.441 0.000 2.226) 2.652 1.775 ( -2.289 0.000 -5.960) 6.385 1.818 ( -0.098 0.000 1.550) 1.553 1.946 ( 0.114 0.000 2.763) 2.766 1.950 ( 9.141 0.000 -0.744) 9.171 2.096 ( 1.361 0.000 -8.752) 8.857 2.303 ( -6.578 0.000 -0.963) 6.648 2.495 ( -2.526 0.000 -4.492) 5.154 2.535 ( 6.195 0.000 4.082) 7.419 2.730 ( -1.861 0.000 -7.452) 7.680 2.825 ( 0.524 0.000 -11.492) 11.504 3.389 ( -1.630 0.000 -4.112) 4.423 3.414 ( -6.981 0.000 5.544) 8.915 3.580 ( 0.167 0.000 6.460) 6.462 3.756 ( -1.265 0.000 1.690) 2.111 3.921 ( -6.423 0.000 -0.737) 6.466 3.934 ( -3.532 0.000 -1.264) 3.751 4.901 ( 7.126 0.000 -8.188) 10.855 5.093 ( -2.509 0.000 -3.656) 4.434 5.680 ( 5.293 0.000 0.616) 5.329 5.820 ( 7.881 0.000 -6.786) 10.400 6.101 ( -8.483 0.000 2.626) 8.881 7.020 ( 14.255 0.000 6.701) 15.751 7.140 ( -3.006 0.000 3.646) 4.726 7.259 ( 5.924 0.000 -5.423) 8.032 7.632 ( 13.668 0.000 9.415) 16.597 7.776 ( 2.361 0.000 6.538) 6.951 8.348 ( -5.249 0.000 8.365) 9.876 9.319 ( 3.899 0.000 -1.871) 4.325 10.602 ( -36.135 0.000 -9.646) 37.400 11.525 ( -13.397 0.000 0.834) 13.423 13.179 ( 10.032 0.000 -12.311) 15.881 13.249 ( 14.139 0.000 3.335) 14.527======================= Grid point 66 (24/116) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 3.094 0.000 3.307) 4.529 0.789 ( 0.865 0.000 1.017) 1.335 1.035 ( 10.572 0.000 4.536) 11.504 1.114 ( 5.949 0.000 -5.418) 8.046 1.212 ( 13.317 0.000 -4.274) 13.986 1.360 ( -9.105 0.000 -4.425) 10.124 1.381 ( -3.848 0.000 -0.360) 3.865 1.506 ( 2.132 0.000 0.227) 2.144 1.546 ( -6.946 0.000 -6.600) 9.582 1.647 ( -5.917 0.000 -8.300) 10.193 1.667 ( 0.049 0.000 0.266) 0.270 1.948 ( 4.045 0.000 7.163) 8.226 2.042 ( 4.143 0.000 -0.945) 4.249 2.053 ( 6.391 0.000 9.911) 11.793 2.137 ( -0.156 0.000 -2.548) 2.553 2.219 ( 1.621 0.000 -1.733) 2.373 2.436 ( 1.868 0.000 -0.897) 2.072 2.578 ( -6.502 0.000 -8.561) 10.750 2.633 ( 3.167 0.000 -2.850) 4.261 2.770 ( 3.412 0.000 -4.866) 5.943 3.253 ( -11.232 0.000 2.186) 11.442 3.376 ( 5.484 0.000 -5.565) 7.813 3.582 ( -6.398 0.000 3.136) 7.125 3.814 ( 0.703 0.000 -0.027) 0.704 3.898 ( -1.737 0.000 12.301) 12.423 3.904 ( 0.949 0.000 3.169) 3.308 4.946 ( 7.448 0.000 -8.417) 11.239 5.046 ( -0.342 0.000 -1.315) 1.359 5.780 ( 4.479 0.000 0.187) 4.483 5.862 ( 5.362 0.000 -10.261) 11.577 5.979 ( -8.521 0.000 6.128) 10.496 7.005 ( -3.633 0.000 -16.802) 17.190 7.147 ( 3.592 0.000 -13.060) 13.545 7.324 ( 4.785 0.000 3.578) 5.974 7.934 ( 4.154 0.000 11.489) 12.217 7.997 ( 8.168 0.000 19.624) 21.256 8.328 ( -6.043 0.000 8.216) 10.199 9.452 ( 12.473 0.000 4.004) 13.100 9.980 ( -27.796 0.000 -6.062) 28.449 11.354 ( -7.007 0.000 0.279) 7.013 13.240 ( 7.143 0.000 -3.875) 8.126 13.445 ( 6.025 0.000 2.403) 6.486======================= Grid point 67 (25/116) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 0.214 0.000 4.728) 4.733 0.784 ( -1.269 0.000 0.084) 1.271 1.107 ( -1.817 0.000 -11.758) 11.897 1.148 ( -8.023 0.000 -1.719) 8.205 1.213 ( -3.804 0.000 -3.733) 5.329 1.245 ( -7.513 0.000 -16.425) 18.062 1.315 ( 9.229 0.000 4.134) 10.113 1.411 ( -2.434 0.000 -5.318) 5.848 1.442 ( 12.039 0.000 -4.490) 12.848 1.673 ( -0.757 0.000 2.839) 2.939 1.709 ( 4.867 0.000 -2.377) 5.417 1.911 ( -5.160 0.000 -2.550) 5.756 2.007 ( -3.358 0.000 -9.960) 10.511 2.107 ( -14.474 0.000 6.490) 15.863 2.119 ( 2.350 0.000 6.330) 6.752 2.266 ( 3.410 0.000 -2.952) 4.510 2.430 ( 2.679 0.000 -3.891) 4.724 2.594 ( -3.178 0.000 -5.315) 6.193 2.663 ( 15.557 0.000 7.001) 17.059 2.834 ( 6.043 0.000 -0.433) 6.059 3.129 ( -5.304 0.000 0.314) 5.313 3.460 ( 5.278 0.000 -4.458) 6.909 3.488 ( -0.250 0.000 0.107) 0.272 3.779 ( -2.247 0.000 -1.473) 2.687 3.977 ( 1.863 0.000 4.336) 4.720 4.016 ( -3.544 0.000 18.693) 19.026 4.995 ( 7.377 0.000 -8.224) 11.048 5.055 ( 1.845 0.000 0.511) 1.915 5.735 ( -5.546 0.000 -4.128) 6.914 5.784 ( 0.036 0.000 -16.860) 16.860 6.043 ( 3.023 0.000 14.288) 14.605 6.744 ( -4.428 0.000 -23.409) 23.824 7.025 ( 0.963 0.000 -17.830) 17.856 7.403 ( -2.016 0.000 6.466) 6.773 8.072 ( -0.129 0.000 10.018) 10.019 8.166 ( -6.452 0.000 13.545) 15.003 8.304 ( -5.938 0.000 8.618) 10.465 9.571 ( -13.295 0.000 -3.098) 13.652 9.862 ( 23.084 0.000 14.264) 27.136 11.296 ( -0.318 0.000 -0.406) 0.516 13.363 ( 7.767 0.000 3.429) 8.490 13.493 ( -2.365 0.000 1.055) 2.589======================= Grid point 68 (26/116) =======================q-point: (-0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( -5.302 0.000 4.879) 7.206 0.708 ( -9.265 0.000 -0.417) 9.274 0.831 ( -8.791 0.000 -13.831) 16.389 0.995 ( -1.522 0.000 -14.275) 14.356 1.021 ( -4.848 0.000 0.331) 4.860 1.207 ( -9.397 0.000 -10.318) 13.955 1.278 ( 8.379 0.000 -0.103) 8.380 1.557 ( 11.491 0.000 3.995) 12.166 1.591 ( 7.884 0.000 -6.403) 10.156 1.640 ( -2.707 0.000 -12.879) 13.160 1.646 ( -13.322 0.000 1.731) 13.434 1.785 ( -4.016 0.000 3.668) 5.439 1.906 ( -1.007 0.000 -3.943) 4.070 1.950 ( -3.945 0.000 5.739) 6.965 2.187 ( -2.214 0.000 1.245) 2.540 2.276 ( -0.661 0.000 -6.011) 6.047 2.481 ( 5.573 0.000 -4.809) 7.361 2.498 ( 1.164 0.000 0.825) 1.427 2.932 ( 5.068 0.000 -0.058) 5.069 2.964 ( 9.379 0.000 7.401) 11.948 3.058 ( -1.258 0.000 -5.055) 5.210 3.414 ( -2.589 0.000 2.263) 3.439 3.644 ( 13.944 0.000 -5.197) 14.881 3.741 ( -0.997 0.000 1.292) 1.632 4.042 ( 2.267 0.000 2.837) 3.632 4.089 ( -7.445 0.000 16.832) 18.405 5.025 ( 4.680 0.000 -8.474) 9.681 5.121 ( 4.615 0.000 2.445) 5.222 5.563 ( -3.727 0.000 -22.618) 22.923 5.604 ( -3.728 0.000 -5.131) 6.342 6.249 ( 2.145 0.000 14.847) 15.001 6.468 ( -3.152 0.000 -16.945) 17.235 6.878 ( -0.466 0.000 -14.786) 14.794 7.360 ( -9.241 0.000 4.129) 10.121 8.085 ( -13.391 0.000 8.392) 15.803 8.134 ( -1.366 0.000 8.679) 8.786 8.301 ( -5.398 0.000 12.782) 13.875 9.408 ( -4.427 0.000 -1.368) 4.633 10.472 ( 30.057 0.000 16.939) 34.501 11.300 ( 2.413 0.000 -5.263) 5.790 13.384 ( -10.636 0.000 -0.924) 10.676 13.552 ( 8.380 0.000 6.913) 10.864======================= Grid point 69 (27/116) =======================q-point: (-0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.426 ( -14.216 0.000 -10.575) 17.718 0.502 ( -13.369 0.000 0.960) 13.404 0.729 ( -6.814 0.000 5.368) 8.674 0.928 ( 2.326 0.000 -3.972) 4.603 0.966 ( -7.336 0.000 -8.295) 11.073 0.978 ( -0.896 0.000 -0.057) 0.898 1.299 ( -22.865 0.000 3.646) 23.153 1.448 ( -4.616 0.000 -11.942) 12.803 1.456 ( 10.926 0.000 -0.962) 10.969 1.643 ( 3.310 0.000 -2.965) 4.443 1.764 ( 6.361 0.000 4.927) 8.046 1.845 ( -4.782 0.000 -1.955) 5.166 1.852 ( 3.698 0.000 5.894) 6.958 2.013 ( 3.224 0.000 3.889) 5.052 2.049 ( -3.483 0.000 -9.826) 10.425 2.202 ( 1.155 0.000 -5.203) 5.330 2.499 ( 3.863 0.000 -9.320) 10.089 2.632 ( 6.079 0.000 4.520) 7.575 2.948 ( -3.419 0.000 -10.626) 11.163 2.992 ( 3.360 0.000 -2.080) 3.952 3.090 ( -0.292 0.000 4.524) 4.533 3.423 ( 0.711 0.000 2.212) 2.324 3.797 ( 4.416 0.000 4.130) 6.047 3.808 ( 8.741 0.000 -3.276) 9.335 4.093 ( -6.632 0.000 11.484) 13.262 4.112 ( 3.006 0.000 2.368) 3.826 4.972 ( -0.960 0.000 -9.473) 9.522 5.243 ( -0.021 0.000 -8.286) 8.286 5.297 ( 3.739 0.000 -9.494) 10.204 5.547 ( 3.298 0.000 -6.092) 6.928 6.173 ( -5.432 0.000 -8.993) 10.507 6.542 ( 1.981 0.000 18.810) 18.914 6.710 ( -4.493 0.000 -15.198) 15.848 7.194 ( -11.319 0.000 1.056) 11.368 7.914 ( -13.349 0.000 4.391) 14.052 8.200 ( 1.258 0.000 3.672) 3.881 8.442 ( 0.621 0.000 35.453) 35.459 9.361 ( -0.513 0.000 -1.321) 1.417 11.140 ( 31.703 0.000 13.827) 34.587 11.212 ( -2.130 0.000 -19.557) 19.673 13.119 ( -18.580 0.000 -3.296) 18.870 13.731 ( 6.084 0.000 1.705) 6.318======================= Grid point 70 (28/116) =======================q-point: (-0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.253 ( -2.452 0.000 16.496) 16.677 0.313 ( -12.725 0.000 6.864) 14.459 0.573 ( -18.634 0.000 8.016) 20.285 0.851 ( -2.588 0.000 -0.239) 2.599 0.899 ( -1.766 0.000 -2.112) 2.753 0.931 ( -22.532 0.000 -5.692) 23.240 1.058 ( 4.976 0.000 5.715) 7.578 1.274 ( -5.478 0.000 -3.381) 6.438 1.596 ( 5.263 0.000 -0.755) 5.317 1.667 ( 2.862 0.000 -1.958) 3.468 1.727 ( -2.763 0.000 -3.771) 4.675 1.838 ( -0.236 0.000 1.104) 1.129 1.991 ( 1.196 0.000 5.230) 5.365 2.015 ( 5.147 0.000 -5.622) 7.622 2.095 ( 5.131 0.000 1.901) 5.471 2.221 ( 6.019 0.000 -3.410) 6.918 2.406 ( -3.140 0.000 -11.050) 11.488 2.709 ( 0.552 0.000 -0.710) 0.900 2.802 ( 1.463 0.000 -11.206) 11.301 3.012 ( 2.556 0.000 -4.457) 5.138 3.072 ( -4.712 0.000 1.206) 4.864 3.461 ( 2.367 0.000 -0.424) 2.405 3.823 ( -6.813 0.000 2.987) 7.439 3.994 ( 13.241 0.000 10.268) 16.756 4.119 ( 1.887 0.000 2.004) 2.753 4.168 ( 1.050 0.000 1.907) 2.176 4.860 ( -0.955 0.000 -8.340) 8.395 4.972 ( -8.137 0.000 -9.512) 12.518 5.523 ( 10.860 0.000 10.334) 14.991 5.572 ( 6.178 0.000 -8.062) 10.157 6.062 ( -2.005 0.000 0.245) 2.020 6.416 ( -8.717 0.000 -22.985) 24.582 6.723 ( -3.117 0.000 21.230) 21.457 7.070 ( -4.435 0.000 2.020) 4.873 7.735 ( -9.841 0.000 -0.178) 9.843 8.239 ( 0.594 0.000 2.073) 2.157 9.139 ( 29.998 0.000 46.697) 55.502 9.347 ( 0.387 0.000 -2.016) 2.052 10.747 ( -20.229 0.000 -29.535) 35.799 11.759 ( 28.071 0.000 8.310) 29.275 12.714 ( -23.717 0.000 -4.909) 24.220 13.625 ( -16.325 0.000 -21.554) 27.039======================= Grid point 71 (29/116) =======================q-point: ( 0.00 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.305 ( -3.210 8.557 6.543) 11.240 0.381 ( -0.595 9.257 5.395) 10.731 0.613 ( 2.036 7.048 10.064) 12.454 0.806 ( 0.525 10.772 13.018) 16.905 0.897 ( 5.384 0.003 7.319) 9.086 0.975 ( -1.094 9.219 5.194) 10.638 1.085 ( -0.830 -0.530 3.543) 3.678 1.330 ( 8.387 -4.000 9.551) 13.325 1.541 ( 3.061 -8.304 -4.281) 9.831 1.674 ( -0.765 -0.313 -2.315) 2.459 1.733 ( 1.695 0.438 0.197) 1.762 1.789 ( -3.745 0.450 -0.566) 3.814 1.881 ( -6.417 3.764 -4.643) 8.769 2.046 ( 5.677 -2.894 -0.544) 6.395 2.178 ( -1.971 1.958 -2.049) 3.452 2.304 ( 6.033 -0.585 -2.075) 6.407 2.459 ( 6.742 0.294 -1.200) 6.854 2.653 ( -2.972 -0.437 -6.077) 6.778 2.700 ( 4.985 -4.871 -5.996) 9.194 2.982 ( -0.310 -3.716 2.849) 4.692 3.096 ( 4.955 3.721 -2.855) 6.822 3.531 ( -5.529 -5.159 -1.522) 7.714 3.679 ( -2.300 7.654 -5.129) 9.496 3.974 ( -0.933 -5.241 -0.031) 5.324 4.107 ( -5.390 0.186 -2.067) 5.776 4.320 ( -2.057 4.216 -1.173) 4.835 4.799 ( 8.173 -3.557 -9.272) 12.862 5.060 ( 13.629 -3.707 1.945) 14.257 5.335 ( -3.077 -8.101 -0.209) 8.668 5.830 ( -1.274 -19.177 -6.905) 20.422 6.136 ( -3.541 8.802 2.442) 9.797 6.303 ( 20.987 16.254 7.187) 27.501 6.886 ( 0.462 1.136 7.203) 7.307 7.143 ( -4.381 8.919 9.754) 13.924 7.640 ( -3.218 3.078 -3.944) 5.949 7.995 ( -19.075 -17.113 2.712) 25.770 8.518 ( -20.896 4.223 10.948) 23.965 9.323 ( 3.425 -1.780 3.709) 5.353 11.478 ( 27.325 -2.043 -2.984) 27.563 11.894 ( -19.951 -4.502 -6.876) 21.577 12.750 ( 16.371 12.360 -7.294) 21.771 12.997 ( -12.124 -1.242 -3.008) 12.553======================= Grid point 72 (30/116) =======================q-point: ( 0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( 4.778 9.127 4.560) 11.266 0.505 ( 8.174 8.325 4.972) 12.682 0.783 ( 9.926 4.038 2.230) 10.945 0.922 ( 3.879 0.808 -0.536) 3.998 1.071 ( 4.953 0.538 7.534) 9.032 1.123 ( 5.116 1.145 12.482) 13.538 1.258 ( 11.514 9.777 15.455) 21.611 1.437 ( -2.768 -3.651 -5.959) 7.517 1.599 ( 6.532 -5.327 4.643) 9.623 1.667 ( 2.712 0.169 1.387) 3.051 1.735 ( -0.949 0.219 -0.672) 1.183 1.778 ( 2.176 0.041 -0.805) 2.320 1.791 ( 0.193 3.009 -0.934) 3.156 2.074 ( -5.699 1.193 -3.099) 6.596 2.134 ( 3.973 -1.940 -2.758) 5.211 2.363 ( -0.431 -1.931 2.631) 3.292 2.489 ( -2.575 -0.135 -9.767) 10.101 2.537 ( 1.974 -0.356 -2.361) 3.098 2.731 ( 2.713 -3.563 -4.962) 6.684 2.956 ( 0.007 0.967 -7.515) 7.577 3.234 ( 6.777 -4.096 7.802) 11.117 3.413 ( -5.434 -6.685 -2.831) 9.068 3.628 ( 0.740 9.266 -2.099) 9.530 3.921 ( -7.378 -0.312 0.338) 7.392 3.957 ( -5.468 -1.470 -4.202) 7.051 4.180 ( -9.465 6.715 -2.418) 11.854 4.863 ( 8.709 -0.474 -8.619) 12.262 5.168 ( -4.606 -0.872 -3.596) 5.908 5.343 ( 8.695 -16.686 -0.302) 18.818 5.770 ( 2.441 -9.614 -6.963) 12.119 6.195 ( 1.392 6.801 8.332) 10.845 6.730 ( 17.999 5.478 9.698) 21.166 6.984 ( 3.460 2.096 7.256) 8.308 7.217 ( 1.556 5.437 11.644) 12.945 7.578 ( 1.956 4.450 -7.257) 8.735 7.751 ( -7.810 -5.179 1.267) 9.456 8.439 ( -4.502 10.195 10.122) 15.055 9.364 ( 1.245 3.944 -2.000) 4.594 11.288 ( -35.434 -3.052 -10.311) 37.030 11.611 ( -8.743 -11.999 -0.321) 14.850 12.915 ( 14.610 0.249 0.974) 14.644 13.110 ( 17.019 1.375 -12.045) 20.896======================= Grid point 73 (31/116) =======================q-point: ( 0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( 7.330 5.217 3.853) 9.788 0.703 ( 8.677 4.327 3.287) 10.238 0.913 ( 2.207 0.956 2.713) 3.625 1.023 ( 12.499 5.211 -2.302) 13.736 1.193 ( 4.172 0.683 -2.947) 5.154 1.291 ( 4.578 -0.073 7.567) 8.844 1.362 ( 1.188 -0.834 0.201) 1.466 1.585 ( -4.242 2.070 0.049) 4.720 1.652 ( 7.513 7.910 10.181) 14.922 1.665 ( -0.647 -1.513 -1.618) 2.307 1.757 ( -0.784 -0.608 -0.648) 1.185 1.811 ( 3.890 -0.882 5.101) 6.475 1.910 ( 7.587 -1.068 1.792) 7.868 1.983 ( -0.817 0.320 -0.167) 0.894 2.105 ( 0.648 -0.213 -7.694) 7.724 2.252 ( -6.891 -3.675 -4.984) 9.264 2.459 ( 0.233 -1.167 -1.666) 2.047 2.566 ( 3.647 1.233 0.527) 3.886 2.694 ( -0.411 -2.927 -6.167) 6.838 2.858 ( -1.697 1.530 -10.068) 10.324 3.326 ( -0.471 -5.033 -3.756) 6.298 3.360 ( -3.002 -4.881 6.159) 8.413 3.654 ( 1.514 7.101 1.791) 7.478 3.772 ( -4.344 0.521 -0.729) 4.435 3.897 ( -2.671 0.112 2.328) 3.545 4.007 ( -7.361 5.204 -2.860) 9.458 4.915 ( 6.492 0.878 -8.789) 10.962 5.050 ( -4.279 -3.997 -1.628) 6.078 5.477 ( 7.907 -13.865 -1.883) 16.072 5.750 ( 0.892 -9.034 -5.254) 10.489 6.284 ( 1.578 14.241 5.212) 15.247 7.006 ( 4.021 -8.116 3.451) 9.693 7.125 ( 9.659 7.877 0.409) 12.471 7.343 ( 0.640 5.494 3.784) 6.702 7.624 ( 9.786 -1.173 2.293) 10.119 7.763 ( 3.307 -1.192 7.309) 8.110 8.485 ( -1.814 14.382 10.351) 17.812 9.367 ( 2.638 4.388 -1.966) 5.484 10.577 ( -35.792 -2.432 -10.259) 37.312 11.405 ( -13.071 -12.218 0.774) 17.908 13.149 ( 12.577 -1.975 -6.912) 14.487 13.262 ( 10.890 0.450 -0.844) 10.932======================= Grid point 74 (32/116) =======================q-point: ( 0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 5.083 4.936 3.356) 7.840 0.783 ( 0.418 -0.637 -0.033) 0.762 1.042 ( 8.287 1.469 5.031) 9.805 1.177 ( 3.043 2.143 -5.820) 6.909 1.235 ( 11.911 7.527 -3.064) 14.420 1.360 ( -3.080 -0.709 -3.188) 4.489 1.396 ( -6.817 1.222 -2.268) 7.288 1.462 ( 0.847 -2.572 -0.095) 2.709 1.556 ( -1.262 -1.327 -2.355) 2.983 1.630 ( -6.522 3.550 -4.578) 8.724 1.777 ( -2.290 5.992 -4.901) 8.073 1.947 ( 1.770 -1.355 3.349) 4.023 1.984 ( 1.438 -1.019 5.626) 5.896 2.092 ( 1.313 -3.317 -6.621) 7.521 2.112 ( 5.912 -6.842 0.050) 9.043 2.196 ( 6.482 6.642 6.784) 11.496 2.423 ( 2.518 -1.136 -1.599) 3.191 2.588 ( -5.191 0.778 -6.443) 8.311 2.633 ( 1.449 -0.561 -3.024) 3.400 2.766 ( 1.208 -0.509 -3.487) 3.725 3.263 ( -8.902 0.849 1.350) 9.044 3.339 ( 6.426 -3.280 -4.149) 8.323 3.637 ( -5.324 4.180 -0.462) 6.785 3.770 ( 0.532 -3.249 2.504) 4.137 3.894 ( -2.496 -0.164 -0.119) 2.504 3.959 ( 0.833 5.127 10.885) 12.060 4.906 ( 2.229 -4.198 -7.358) 8.760 5.022 ( 2.101 -2.084 -2.087) 3.621 5.549 ( 3.074 -15.025 -5.963) 16.455 5.718 ( 1.197 -7.102 -1.280) 7.315 6.351 ( 1.416 21.154 3.776) 21.535 6.950 ( -2.054 -4.941 -14.643) 15.590 7.189 ( 1.345 3.786 -13.247) 13.843 7.374 ( 3.023 5.221 3.711) 7.083 7.866 ( 4.596 -9.247 14.404) 17.723 7.931 ( 4.061 -0.501 11.690) 12.385 8.561 ( -1.681 19.987 10.638) 22.704 9.475 ( 11.069 2.262 4.083) 12.013 9.957 ( -27.137 -2.150 -6.512) 27.990 11.240 ( -6.871 -11.938 1.021) 13.812 13.248 ( 7.417 0.799 -3.420) 8.206 13.425 ( 5.751 -2.027 2.137) 6.461======================= Grid point 75 (33/116) =======================q-point: (-0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( -1.166 4.182 3.252) 5.424 0.793 ( 0.947 0.932 1.012) 1.670 1.089 ( -7.447 -1.774 -5.295) 9.308 1.119 ( -6.294 -0.888 -10.614) 12.372 1.231 ( 0.050 2.755 -7.665) 8.145 1.300 ( 4.252 3.294 -1.227) 5.517 1.330 ( -2.656 3.623 -3.691) 5.814 1.402 ( -3.774 -0.726 -4.230) 5.715 1.502 ( 8.770 4.801 -3.897) 10.730 1.672 ( 4.077 -0.032 3.630) 5.459 1.746 ( 1.632 2.976 -5.466) 6.434 1.896 ( -4.920 -1.301 -2.659) 5.742 1.979 ( -3.486 -3.370 -4.427) 6.566 2.017 ( -2.679 -1.581 0.639) 3.175 2.171 ( 2.992 -6.661 -3.635) 8.157 2.269 ( -8.403 7.293 5.148) 12.260 2.475 ( 3.109 3.225 -1.692) 4.788 2.585 ( -1.761 -0.885 -5.451) 5.796 2.651 ( 15.206 -1.157 7.126) 16.833 2.810 ( 3.672 -2.047 0.680) 4.259 3.149 ( -4.479 1.854 -1.235) 5.002 3.456 ( 11.083 -1.092 -3.936) 11.812 3.533 ( -5.025 3.470 0.170) 6.109 3.757 ( -1.904 -2.085 -1.403) 3.154 3.910 ( -0.523 -2.444 7.216) 7.636 4.081 ( -0.387 3.520 11.501) 12.034 4.891 ( 3.881 -8.990 -6.288) 11.637 5.043 ( 2.608 -2.950 -3.314) 5.147 5.468 ( -1.579 -11.227 -10.043) 15.146 5.781 ( 4.256 -6.039 0.930) 7.446 6.391 ( -2.501 24.740 5.867) 25.549 6.712 ( -4.347 -2.889 -22.019) 22.629 7.030 ( -0.408 0.891 -18.809) 18.835 7.441 ( -2.041 3.761 6.570) 7.841 7.988 ( -3.578 -10.014 11.226) 15.463 8.060 ( -1.232 -1.748 10.352) 10.571 8.573 ( -7.575 19.852 7.674) 22.591 9.560 ( -11.703 -1.077 -3.482) 12.258 9.875 ( 22.391 1.571 15.115) 27.061 11.197 ( -0.010 -10.455 1.151) 10.518 13.364 ( 6.803 0.119 2.831) 7.369 13.472 ( -2.183 -2.079 1.102) 3.210======================= Grid point 76 (34/116) =======================q-point: (-0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( -6.764 0.562 3.524) 7.648 0.749 ( -9.939 3.814 -4.135) 11.421 0.880 ( -2.597 2.525 -7.935) 8.722 0.964 ( -7.154 -2.222 -0.875) 7.542 1.010 ( -3.885 1.166 -13.863) 14.444 1.213 ( -8.588 0.519 -9.886) 13.106 1.346 ( 7.582 7.222 -0.428) 10.480 1.483 ( 6.807 -4.882 -3.382) 9.034 1.588 ( 2.272 -1.338 -3.984) 4.778 1.686 ( 1.117 4.272 -4.405) 6.237 1.736 ( -6.867 5.969 -2.917) 9.555 1.770 ( -3.095 -1.818 3.622) 5.100 1.911 ( -0.462 0.826 -3.299) 3.432 1.931 ( -4.137 -0.114 4.506) 6.118 2.172 ( -3.565 -4.424 -0.071) 5.682 2.204 ( 0.378 -1.969 -3.841) 4.332 2.512 ( 1.441 1.224 -4.706) 5.071 2.556 ( 4.904 5.062 0.593) 7.072 2.866 ( 1.948 -5.761 -0.646) 6.116 2.919 ( 6.549 -4.377 6.503) 10.214 3.087 ( 0.334 2.324 -4.958) 5.486 3.484 ( -0.688 5.148 2.718) 5.862 3.640 ( 12.981 -0.336 -3.199) 13.374 3.731 ( 0.672 -1.391 0.098) 1.548 3.972 ( -1.474 -2.193 9.170) 9.544 4.140 ( -1.947 1.983 6.117) 6.719 4.919 ( 6.579 -10.669 -7.624) 14.671 5.029 ( 0.517 -9.552 -5.302) 10.937 5.364 ( -0.051 -2.381 -8.359) 8.691 5.817 ( 1.141 1.213 -4.686) 4.973 6.296 ( -10.494 4.748 -4.751) 12.459 6.540 ( 0.825 10.537 -3.056) 11.002 6.861 ( -0.617 -1.294 -15.008) 15.077 7.410 ( -8.156 4.569 5.032) 10.617 7.980 ( -7.575 -7.255 8.186) 13.305 8.101 ( -3.945 -3.903 9.904) 11.353 8.485 ( -9.326 15.834 7.594) 19.884 9.427 ( -2.470 1.540 -1.575) 3.310 10.481 ( 29.329 1.055 17.546) 34.193 11.230 ( 3.628 -7.274 -2.461) 8.493 13.369 ( -10.283 -1.430 -0.661) 10.402 13.516 ( 5.791 -3.412 5.727) 8.830======================= Grid point 77 (35/116) =======================q-point: (-0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.469 ( -12.066 4.551 -7.860) 15.103 0.558 ( -12.554 4.482 2.591) 13.579 0.769 ( -4.602 4.991 -1.289) 6.910 0.899 ( -1.602 -3.756 -4.210) 5.864 0.907 ( -2.875 -3.530 -0.773) 4.618 1.011 ( -3.920 3.151 -4.998) 7.090 1.372 ( -9.197 -2.442 -8.786) 12.951 1.407 ( -14.717 4.447 -0.487) 15.382 1.506 ( 8.975 5.268 1.092) 10.464 1.634 ( 0.910 -1.548 -2.450) 3.037 1.762 ( 3.673 0.811 0.230) 3.768 1.817 ( -6.305 -2.989 0.118) 6.979 1.870 ( 3.277 1.071 5.938) 6.866 1.951 ( 3.319 -3.390 -3.977) 6.191 2.092 ( -0.558 1.979 -1.141) 2.351 2.191 ( 3.283 0.184 -4.696) 5.733 2.518 ( 3.032 0.961 -7.469) 8.118 2.648 ( 4.214 1.231 1.358) 4.596 2.826 ( -2.369 -8.246 -6.839) 10.972 2.989 ( -2.056 -6.996 3.981) 8.308 3.066 ( 2.546 3.738 -4.807) 6.600 3.544 ( 3.577 6.786 2.886) 8.196 3.763 ( 1.232 -2.790 3.871) 4.928 3.824 ( 9.994 1.119 -4.484) 11.011 4.035 ( -0.721 -0.267 9.967) 9.996 4.155 ( 1.367 0.906 -0.232) 1.657 4.891 ( 1.190 -7.933 -13.190) 15.438 5.036 ( 6.184 -15.480 -5.834) 17.661 5.291 ( -2.396 4.552 -3.311) 6.118 5.776 ( 3.700 8.377 -6.834) 11.427 6.093 ( -6.973 -6.102 -4.474) 10.289 6.530 ( -6.344 5.068 1.255) 8.216 6.766 ( 1.462 2.666 -3.499) 4.635 7.280 ( -10.642 7.737 3.492) 13.612 7.893 ( -9.748 -2.652 4.746) 11.162 8.134 ( -3.036 -7.840 9.279) 12.522 8.471 ( -4.499 7.065 18.820) 20.599 9.400 ( -0.820 1.884 -1.201) 2.379 11.071 ( 17.665 -3.025 2.294) 18.069 11.302 ( 17.518 4.247 -0.763) 18.042 13.117 ( -17.466 0.068 -2.892) 17.704 13.619 ( 0.054 -9.737 1.933) 9.927======================= Grid point 78 (36/116) =======================q-point: (-0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.318 ( -5.147 6.870 8.367) 11.987 0.404 ( -8.583 7.540 6.806) 13.298 0.633 ( -10.286 4.017 -0.262) 11.046 0.828 ( -6.959 0.355 3.237) 7.684 0.841 ( -2.782 0.538 0.935) 2.984 1.017 ( -3.331 4.031 4.616) 6.975 1.110 ( -6.876 5.731 1.979) 9.168 1.235 ( -5.969 -2.980 -3.065) 7.342 1.562 ( -1.500 -6.303 -3.657) 7.440 1.661 ( 6.060 2.222 -2.673) 6.986 1.718 ( -1.916 -0.257 0.282) 1.953 1.811 ( 0.255 -2.425 2.038) 3.178 1.958 ( 2.520 -1.702 -1.227) 3.279 1.999 ( 2.295 -2.017 0.650) 3.124 2.146 ( 4.587 4.104 1.677) 6.379 2.230 ( 6.612 0.048 -4.256) 7.864 2.443 ( -2.244 3.451 -7.847) 8.861 2.667 ( 2.356 -6.990 -6.341) 9.727 2.747 ( 0.194 -1.347 -5.025) 5.206 2.973 ( -3.230 -6.003 3.995) 7.901 3.075 ( 3.612 4.789 -5.196) 7.936 3.601 ( 0.910 2.607 -2.398) 3.657 3.761 ( -4.357 -1.378 1.273) 4.743 3.929 ( 6.741 -1.783 -1.168) 7.070 4.146 ( 1.980 1.842 3.721) 4.600 4.202 ( 6.918 1.720 2.242) 7.473 4.795 ( 2.551 -6.165 -11.373) 13.186 4.994 ( -2.550 -0.355 -6.048) 6.573 5.308 ( 3.961 -5.179 2.151) 6.866 5.852 ( 6.882 -4.980 -3.140) 9.057 6.012 ( 2.354 3.431 2.562) 4.886 6.326 ( -11.038 6.108 -8.575) 15.254 6.817 ( 0.722 2.189 6.345) 6.751 7.168 ( -7.566 10.284 6.517) 14.335 7.757 ( -8.285 1.050 0.148) 8.353 8.142 ( -4.584 -12.468 4.874) 14.150 8.682 ( -5.296 -14.831 30.328) 34.173 9.316 ( -8.051 -2.759 -0.947) 8.563 11.111 ( 14.439 15.975 -16.559) 27.164 11.825 ( 26.167 2.977 6.014) 27.014 12.770 ( -15.882 5.348 -5.215) 17.551 13.450 ( -19.028 -12.642 -8.910) 24.521======================= Grid point 79 (37/116) =======================q-point: ( 0.00 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 0.819 9.868 2.669) 10.255 0.550 ( 1.217 7.500 6.221) 9.820 0.753 ( 0.724 5.946 2.878) 6.646 0.862 ( 2.552 -0.382 5.953) 6.488 0.889 ( 2.761 -0.668 1.045) 3.027 1.082 ( 2.743 1.127 5.814) 6.527 1.221 ( 5.458 -2.844 5.812) 8.465 1.333 ( -1.443 17.984 9.458) 20.371 1.428 ( 4.641 -1.601 0.306) 4.919 1.639 ( -3.069 -2.921 -0.872) 4.325 1.730 ( -0.474 0.407 2.121) 2.211 1.795 ( 0.284 -2.239 0.080) 2.258 1.938 ( -2.890 1.038 -0.105) 3.072 1.994 ( 4.160 -1.456 0.075) 4.408 2.210 ( -3.168 3.182 -3.592) 5.750 2.265 ( 5.789 -3.838 -1.227) 7.053 2.443 ( 0.576 -2.558 -3.458) 4.339 2.600 ( 2.366 -4.591 -4.850) 7.085 2.662 ( 3.069 -0.360 -6.181) 6.910 2.856 ( -1.503 -8.489 4.001) 9.505 3.195 ( 4.016 6.020 -4.983) 8.786 3.423 ( -4.917 -3.629 -0.052) 6.112 3.834 ( 3.366 5.598 -8.592) 10.793 3.928 ( -0.695 -0.333 -1.595) 1.771 4.141 ( -4.163 4.297 -4.104) 7.255 4.358 ( 1.496 1.760 -1.582) 2.800 4.663 ( 13.444 -9.725 -13.958) 21.683 4.994 ( 5.473 -5.993 -1.687) 8.290 5.290 ( -5.268 1.152 2.238) 5.839 5.492 ( -0.645 -14.018 0.752) 14.053 6.229 ( 2.143 4.127 5.526) 7.222 6.503 ( 7.071 1.064 3.313) 7.881 7.009 ( 5.271 13.556 2.984) 14.848 7.307 ( -7.043 7.462 10.877) 14.953 7.659 ( -2.990 -1.374 -1.090) 3.467 7.753 ( -9.732 -9.024 1.086) 13.316 8.683 ( -6.425 11.915 8.863) 16.180 9.258 ( 4.842 -5.160 7.004) 9.956 11.466 ( 7.207 0.886 -6.124) 9.499 11.778 ( -16.905 -7.498 -6.746) 19.685 12.887 ( 8.865 3.682 -5.271) 10.952 12.972 ( -5.580 -1.328 -3.240) 6.587======================= Grid point 80 (38/116) =======================q-point: ( 0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( 3.674 9.629 2.802) 10.680 0.671 ( 6.436 8.697 2.982) 11.223 0.856 ( 7.104 2.418 4.664) 8.835 0.928 ( 5.616 -0.601 -1.125) 5.759 1.069 ( 8.732 -3.604 9.723) 13.556 1.143 ( -2.864 5.662 6.563) 9.129 1.365 ( 6.359 -5.605 2.502) 8.838 1.485 ( 8.049 8.370 -0.187) 11.614 1.559 ( 6.699 8.238 10.379) 14.848 1.639 ( 3.117 -2.963 4.120) 5.956 1.735 ( -1.643 -0.193 1.989) 2.587 1.780 ( -1.083 -0.181 -0.512) 1.211 1.894 ( -1.145 5.257 -0.278) 5.388 2.051 ( -1.246 -3.241 0.073) 3.473 2.092 ( -3.256 -0.172 -4.167) 5.291 2.328 ( -0.869 -2.143 0.495) 2.365 2.442 ( 5.398 -4.472 -6.190) 9.352 2.525 ( 0.178 -2.316 -5.759) 6.210 2.686 ( 1.283 -1.169 -4.483) 4.807 2.872 ( -0.788 -9.125 1.661) 9.309 3.230 ( 3.677 3.681 -0.579) 5.235 3.327 ( -4.223 -1.633 -3.101) 5.488 3.804 ( 2.577 7.098 -7.333) 10.526 3.911 ( -1.115 -0.542 0.703) 1.426 3.986 ( -8.125 5.378 -5.260) 11.073 4.268 ( -6.989 3.059 -4.325) 8.770 4.787 ( 13.679 -7.457 -10.897) 19.013 5.057 ( 0.964 -12.324 -3.364) 12.812 5.209 ( -1.332 2.752 1.228) 3.295 5.535 ( 2.396 -11.934 0.215) 12.174 6.343 ( 4.515 7.241 8.609) 12.122 6.692 ( 7.898 -6.034 6.824) 12.057 7.162 ( 9.210 12.943 1.498) 15.956 7.328 ( -2.197 6.273 12.028) 13.742 7.611 ( 0.149 -2.288 -6.060) 6.479 7.661 ( -1.453 -3.043 2.595) 4.255 8.713 ( -0.305 17.674 10.102) 20.359 9.396 ( 4.102 -1.383 2.689) 5.096 11.219 ( -32.503 -3.792 -10.323) 34.313 11.382 ( -13.145 -11.270 -5.143) 18.063 12.935 ( 10.320 1.960 -1.620) 10.629 13.107 ( 13.626 -1.728 -6.783) 15.319======================= Grid point 81 (39/116) =======================q-point: ( 0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 3.708 6.668 3.054) 8.219 0.775 ( 2.702 3.172 -0.123) 4.169 0.975 ( 4.597 4.671 5.413) 8.500 1.110 ( 8.753 5.264 -0.793) 10.245 1.176 ( 6.995 -1.331 4.455) 8.399 1.293 ( 7.234 -1.380 6.119) 9.575 1.417 ( 2.391 2.944 -2.409) 4.493 1.581 ( -2.815 0.188 -3.348) 4.378 1.642 ( -1.010 0.097 0.677) 1.220 1.739 ( 0.166 -1.663 3.781) 4.134 1.764 ( 0.393 1.661 1.974) 2.610 1.830 ( 6.316 -0.650 2.635) 6.875 1.930 ( 2.585 5.310 6.343) 8.667 1.962 ( 1.262 0.853 -2.593) 3.007 2.078 ( 2.621 -1.343 -2.028) 3.576 2.224 ( -4.358 0.203 -6.886) 8.152 2.477 ( 1.891 1.892 -3.661) 4.534 2.561 ( 4.350 -1.463 0.749) 4.650 2.630 ( -0.281 -3.579 -5.252) 6.362 2.823 ( -3.962 -5.927 -3.393) 7.896 3.248 ( -1.334 -2.390 -2.562) 3.749 3.298 ( 1.895 -0.885 2.482) 3.246 3.756 ( -4.995 0.210 -4.796) 6.928 3.834 ( -0.899 9.202 -2.640) 9.615 3.905 ( -0.941 0.640 0.120) 1.144 4.112 ( -6.036 5.679 -2.109) 8.552 4.894 ( 9.656 -4.376 -9.948) 14.537 4.954 ( -5.706 -6.398 -3.233) 9.162 5.281 ( 6.706 -5.428 -1.609) 8.776 5.550 ( -0.112 -10.759 -0.288) 10.764 6.513 ( 6.615 9.284 5.650) 12.723 6.850 ( 4.611 -7.629 2.226) 9.188 7.293 ( 6.455 8.206 -3.787) 11.107 7.450 ( 0.266 6.637 13.629) 15.161 7.582 ( 5.158 -3.024 -6.209) 8.620 7.742 ( 3.625 -1.159 9.806) 10.519 8.841 ( 3.401 21.893 10.826) 24.659 9.445 ( 1.829 2.918 -0.594) 3.494 10.531 ( -34.444 -1.783 -11.417) 36.330 11.105 ( -14.732 -18.740 -0.838) 23.852 13.129 ( 12.752 0.127 -3.565) 13.242 13.250 ( 9.187 -1.733 -2.107) 9.583======================= Grid point 82 (40/116) =======================q-point: ( 0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( 3.945 2.137 2.319) 5.051 0.774 ( -1.612 0.036 0.460) 1.677 1.096 ( 2.761 4.308 3.248) 6.061 1.203 ( 8.340 2.009 -1.719) 8.749 1.355 ( -3.485 0.533 -4.148) 5.444 1.401 ( -3.500 -0.342 -0.607) 3.568 1.424 ( 1.789 -1.220 1.063) 2.413 1.453 ( 6.631 8.489 -1.273) 10.847 1.536 ( -4.437 2.386 -5.026) 7.116 1.714 ( -3.639 3.619 -0.911) 5.213 1.822 ( 1.264 -2.070 1.590) 2.900 1.889 ( 0.087 -8.649 -3.292) 9.255 1.924 ( 1.884 -0.678 -2.644) 3.316 2.040 ( -2.097 5.887 -1.770) 6.495 2.089 ( 6.326 -0.997 -4.774) 7.988 2.329 ( 12.038 5.887 9.475) 16.412 2.420 ( 0.869 1.396 -5.082) 5.341 2.584 ( -4.427 -1.408 -3.608) 5.883 2.607 ( 1.206 -1.903 -3.284) 3.982 2.746 ( -0.755 -1.753 1.501) 2.428 3.229 ( -1.853 -3.323 1.223) 3.996 3.327 ( 3.797 0.855 -2.591) 4.675 3.620 ( -6.637 -3.361 -1.061) 7.515 3.812 ( -1.134 2.310 -3.822) 4.608 3.888 ( 0.983 3.588 -0.786) 3.802 4.080 ( -0.725 6.809 6.631) 9.531 4.818 ( -2.553 -4.650 -7.672) 9.327 4.949 ( 5.104 -6.617 -8.130) 11.659 5.352 ( 4.076 -5.707 -3.694) 7.926 5.560 ( 1.342 -8.870 2.285) 9.258 6.646 ( 5.348 9.323 1.144) 10.809 6.855 ( -0.691 -4.467 -8.622) 9.735 7.284 ( -0.387 6.585 -10.128) 12.087 7.503 ( 0.310 7.483 2.106) 7.780 7.716 ( 3.633 -6.020 11.075) 13.118 7.911 ( 2.382 -1.988 12.204) 12.593 8.988 ( 1.449 24.140 7.824) 25.418 9.524 ( 8.183 2.389 4.326) 9.560 9.927 ( -25.040 0.375 -6.342) 25.833 10.924 ( -7.034 -21.326 2.662) 22.614 13.266 ( 7.617 1.106 -2.259) 8.022 13.378 ( 5.348 -2.753 1.344) 6.163======================= Grid point 83 (41/116) =======================q-point: (-0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -1.891 -0.897 0.417) 2.134 0.791 ( 0.431 -1.673 1.749) 2.459 1.100 ( -4.601 2.619 -2.549) 5.876 1.132 ( -9.036 2.680 -11.339) 14.745 1.269 ( -1.765 0.662 -7.236) 7.478 1.310 ( 2.756 -0.795 0.403) 2.896 1.398 ( -4.255 0.514 -3.394) 5.468 1.507 ( 1.299 8.357 -3.086) 9.002 1.552 ( 2.523 3.300 -0.621) 4.200 1.695 ( 3.506 2.299 1.045) 4.321 1.766 ( -1.861 -1.383 -5.959) 6.395 1.888 ( -2.360 -2.779 -2.728) 4.553 1.932 ( 4.725 3.393 -6.553) 8.762 2.015 ( 1.119 0.101 5.025) 5.149 2.079 ( 0.371 -1.350 -8.403) 8.519 2.381 ( -10.766 4.188 1.689) 11.675 2.512 ( 6.147 -0.554 -3.022) 6.872 2.554 ( 0.892 -2.808 -4.281) 5.197 2.634 ( 9.170 0.246 8.090) 12.231 2.779 ( 0.111 -1.003 3.169) 3.326 3.176 ( -3.479 0.900 -0.415) 3.617 3.440 ( 11.858 -0.635 -3.014) 12.252 3.520 ( -5.169 -3.924 1.876) 6.756 3.744 ( -1.202 -0.243 -3.872) 4.061 3.935 ( 3.222 5.490 1.929) 6.651 4.145 ( -0.622 3.813 6.944) 7.946 4.728 ( 1.303 -7.308 -8.815) 11.524 4.919 ( 2.671 -10.025 -12.351) 16.130 5.369 ( 1.998 -0.521 -1.709) 2.680 5.636 ( 2.997 -8.426 4.404) 9.969 6.662 ( -3.342 -1.782 -17.480) 17.886 6.725 ( -1.236 7.142 0.619) 7.275 7.126 ( -3.732 11.934 -12.842) 17.924 7.523 ( -2.606 4.258 5.010) 7.073 7.830 ( -1.817 -6.505 10.022) 12.086 8.007 ( -3.209 -4.291 9.671) 11.056 8.974 ( -7.627 21.739 1.494) 23.087 9.533 ( -7.907 -1.936 -4.368) 9.238 9.938 ( 19.592 6.032 17.651) 27.052 10.919 ( 1.357 -18.767 5.519) 19.608 13.366 ( 4.623 0.044 1.732) 4.937 13.425 ( -1.507 -2.577 1.114) 3.186======================= Grid point 84 (42/116) =======================q-point: (-0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( -5.064 -0.047 0.569) 5.096 0.801 ( -0.702 -3.056 0.368) 3.157 0.856 ( -9.804 3.702 -8.454) 13.464 0.994 ( -4.065 0.210 -7.531) 8.560 1.079 ( -7.175 6.581 -7.886) 12.529 1.227 ( -7.230 1.223 -8.371) 11.129 1.396 ( 2.087 -4.344 -4.468) 6.572 1.527 ( 4.389 5.251 -0.428) 6.857 1.537 ( -0.877 0.741 -4.899) 5.032 1.735 ( 1.748 0.411 1.027) 2.069 1.739 ( -1.496 -0.421 0.350) 1.593 1.807 ( -1.384 2.809 -3.397) 4.620 1.926 ( -0.205 1.496 -4.698) 4.935 2.004 ( -3.916 2.165 -4.433) 6.298 2.098 ( 2.460 2.088 4.626) 5.640 2.222 ( -6.298 2.968 0.663) 6.994 2.483 ( 2.191 -5.529 -7.695) 9.725 2.636 ( 4.948 2.749 0.386) 5.674 2.758 ( -0.844 -4.754 -1.127) 4.958 2.816 ( 0.308 -6.510 6.527) 9.224 3.137 ( 0.644 3.464 -2.721) 4.452 3.494 ( -2.027 -4.764 5.097) 7.265 3.644 ( 14.455 0.957 -1.857) 14.606 3.729 ( 2.930 2.399 -1.842) 4.211 4.020 ( 3.591 6.009 3.856) 7.992 4.163 ( -0.874 1.591 -0.075) 1.817 4.708 ( 5.566 -10.126 -8.092) 14.107 4.827 ( 2.334 -12.048 -15.369) 19.667 5.395 ( 0.720 3.638 1.327) 3.939 5.711 ( 0.517 -8.582 3.870) 9.428 6.367 ( -9.739 3.513 -16.155) 19.188 6.683 ( -2.562 -2.407 -6.256) 7.176 6.988 ( -2.747 18.066 -3.255) 18.562 7.493 ( -6.850 3.480 5.411) 9.398 7.853 ( -4.715 -5.935 7.648) 10.768 8.002 ( -6.131 -6.488 8.046) 12.018 8.823 ( -10.119 19.137 1.286) 21.686 9.439 ( -1.022 -0.945 -2.801) 3.127 10.519 ( 26.751 3.371 18.613) 32.763 11.045 ( 7.546 -11.971 4.580) 14.874 13.343 ( -8.887 -1.040 -0.051) 8.947 13.444 ( 1.223 -3.926 3.456) 5.372======================= Grid point 85 (43/116) =======================q-point: (-0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -8.532 4.731 -4.060) 10.567 0.643 ( -8.100 5.019 0.493) 9.542 0.819 ( 1.290 -3.869 -2.822) 4.960 0.857 ( -4.266 -2.399 -2.340) 5.425 0.916 ( -4.843 9.140 -6.096) 12.007 1.078 ( -2.974 4.299 -3.069) 6.062 1.265 ( -5.186 -5.734 -10.600) 13.120 1.503 ( -5.665 -2.123 -1.291) 6.186 1.564 ( -1.017 3.043 2.077) 3.822 1.647 ( -4.059 3.559 -1.685) 5.655 1.767 ( -2.461 -0.852 1.352) 2.935 1.811 ( -1.685 4.143 -1.427) 4.695 1.865 ( 1.477 -1.663 0.814) 2.368 1.927 ( 1.979 0.742 -1.645) 2.678 2.148 ( -0.344 4.995 2.873) 5.773 2.203 ( 3.842 0.696 -3.403) 5.180 2.476 ( 4.535 -6.177 -7.172) 10.496 2.658 ( -3.205 -0.384 -3.658) 4.878 2.715 ( 1.256 -2.757 -1.397) 3.336 2.851 ( -0.814 -7.929 2.687) 8.412 3.141 ( 2.984 4.555 -3.216) 6.325 3.510 ( -2.726 -7.657 5.362) 9.737 3.788 ( 4.682 4.311 -1.277) 6.491 3.851 ( 11.252 1.946 -3.402) 11.915 4.124 ( 2.982 8.448 6.855) 11.281 4.153 ( 4.946 -0.145 -6.887) 8.480 4.698 ( 4.510 -12.068 -17.439) 21.682 4.795 ( 8.069 -11.065 -4.695) 14.477 5.386 ( -4.234 5.075 1.720) 6.829 5.703 ( -4.196 -9.651 0.788) 10.553 6.125 ( -3.821 6.488 -7.392) 10.551 6.558 ( -3.297 -4.687 -7.469) 9.414 6.952 ( -2.866 17.277 3.447) 17.849 7.408 ( -8.631 4.947 6.097) 11.668 7.819 ( -6.321 -4.523 5.137) 9.317 7.969 ( -6.993 -8.754 8.271) 13.927 8.699 ( -7.117 15.478 5.204) 17.812 9.380 ( -4.510 -4.304 -2.860) 6.858 11.053 ( 18.010 1.091 4.596) 18.619 11.316 ( 22.477 -2.712 8.008) 24.014 13.134 ( -14.337 1.959 -1.890) 14.593 13.440 ( -5.585 -8.699 1.363) 10.427======================= Grid point 86 (44/116) =======================q-point: (-0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.464 ( -3.001 8.112 3.935) 9.502 0.546 ( -4.295 7.448 2.486) 8.950 0.728 ( -3.614 2.197 0.532) 4.262 0.845 ( -1.639 4.108 1.288) 4.607 0.878 ( 0.369 2.056 0.825) 2.246 1.061 ( 0.352 1.427 2.262) 2.698 1.099 ( -2.007 -5.711 -4.364) 7.463 1.388 ( -8.622 13.125 7.062) 17.218 1.439 ( -6.443 -2.595 -5.144) 8.643 1.659 ( 1.734 -2.794 1.775) 3.737 1.726 ( -1.917 1.454 1.258) 2.715 1.788 ( 0.509 -0.676 -1.345) 1.590 1.940 ( 2.891 -2.648 -0.286) 3.931 1.954 ( 1.042 -0.881 0.992) 1.687 2.198 ( 4.632 -3.210 -2.393) 6.123 2.230 ( 2.240 5.787 -0.387) 6.217 2.481 ( 0.688 -2.533 -4.461) 5.176 2.564 ( 1.523 -1.301 -5.996) 6.322 2.713 ( 0.567 -2.256 -4.620) 5.172 2.853 ( -1.470 -7.501 2.392) 8.009 3.170 ( 4.247 5.383 -4.268) 8.076 3.488 ( -4.439 -7.507 2.994) 9.221 3.834 ( 3.641 3.606 -4.200) 6.626 3.938 ( 4.355 1.857 -5.036) 6.912 4.187 ( 3.212 1.925 -4.325) 5.721 4.256 ( 6.928 6.044 3.280) 9.762 4.629 ( 7.676 -10.935 -17.047) 21.658 4.914 ( 7.913 -7.993 -2.581) 11.540 5.316 ( -4.344 3.503 2.952) 6.313 5.591 ( -8.156 -12.705 -0.862) 15.122 6.123 ( 5.058 5.402 1.619) 7.576 6.461 ( -1.239 0.508 -3.705) 3.940 6.947 ( -1.097 14.410 3.633) 14.902 7.340 ( -7.855 6.765 9.226) 13.877 7.741 ( -6.374 -2.704 1.630) 7.113 7.897 ( -9.888 -10.706 5.883) 15.716 8.692 ( -4.138 9.127 10.792) 14.727 9.238 ( -7.443 -5.664 -0.264) 9.357 11.297 ( 16.329 7.232 -6.364) 18.958 11.786 ( 17.319 -6.667 5.110) 19.248 12.883 ( -8.655 6.295 -3.923) 11.398 13.252 ( -15.551 -8.540 -3.032) 17.999======================= Grid point 87 (45/116) =======================q-point: ( 0.00 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( 0.906 4.016 4.959) 6.445 0.661 ( 1.490 8.085 1.476) 8.353 0.740 ( 1.920 -3.220 6.052) 7.119 0.825 ( 2.758 -6.324 -0.110) 6.900 0.952 ( 0.915 6.984 -1.181) 7.142 1.065 ( 4.391 -4.744 1.318) 6.597 1.227 ( 4.538 6.459 8.225) 11.400 1.352 ( 6.500 -5.116 4.257) 9.303 1.611 ( -0.589 1.178 0.743) 1.512 1.667 ( 0.594 -0.042 4.300) 4.341 1.771 ( -1.807 9.091 1.499) 9.390 1.781 ( -1.685 8.193 4.391) 9.447 1.882 ( -0.587 -5.324 3.158) 6.218 1.975 ( 1.070 -2.762 0.764) 3.059 2.198 ( 2.765 -1.404 0.788) 3.200 2.296 ( -0.259 -9.983 2.519) 10.299 2.350 ( -3.124 8.025 -6.616) 10.860 2.500 ( -1.215 -6.032 -8.300) 10.332 2.674 ( 3.259 1.429 -4.014) 5.364 2.726 ( 1.388 -4.707 -1.287) 5.073 3.304 ( 2.679 5.230 -2.808) 6.512 3.377 ( -0.554 -2.562 -0.905) 2.773 3.889 ( 1.854 1.902 -4.267) 5.026 3.921 ( -0.126 -1.226 -3.358) 3.577 4.261 ( 2.140 7.383 -9.419) 12.158 4.387 ( 1.089 -3.477 -6.427) 7.388 4.555 ( 12.769 4.711 -12.260) 18.318 4.783 ( 6.502 -14.846 -7.527) 17.869 5.321 ( -5.305 1.616 4.061) 6.874 5.353 ( -3.297 -2.653 5.010) 6.558 6.317 ( 3.692 5.562 5.196) 8.460 6.432 ( 4.211 -6.198 3.660) 8.339 7.281 ( 1.298 12.937 5.923) 14.287 7.408 ( -4.236 1.505 10.571) 11.487 7.594 ( -3.563 -3.360 -3.446) 5.988 7.631 ( -5.737 -4.948 0.698) 7.608 8.920 ( 0.119 12.553 7.696) 14.724 9.126 ( 3.680 -9.153 7.547) 12.421 11.517 ( -3.445 4.589 -6.994) 9.047 11.633 ( -11.366 -7.524 -6.883) 15.270 12.927 ( 2.843 1.328 -3.632) 4.800 12.949 ( -0.487 -1.118 -3.345) 3.560======================= Grid point 88 (46/116) =======================q-point: ( 0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( 2.087 7.438 1.807) 7.934 0.789 ( 3.764 2.058 4.284) 6.062 0.859 ( 5.437 -0.814 5.216) 7.578 0.896 ( 8.826 -2.735 4.281) 10.183 1.049 ( 9.923 3.565 2.530) 10.843 1.170 ( 7.252 -7.091 -0.333) 10.148 1.351 ( -0.580 8.955 7.498) 11.694 1.524 ( 5.047 -7.395 6.965) 11.343 1.622 ( 2.008 4.646 0.167) 5.064 1.690 ( -2.508 -1.616 2.291) 3.762 1.772 ( -0.470 3.961 1.070) 4.130 1.823 ( 3.062 4.784 2.295) 6.126 1.907 ( 0.249 1.106 5.213) 5.335 1.997 ( 0.542 -3.119 1.893) 3.689 2.191 ( -3.503 8.051 -6.711) 11.051 2.282 ( -0.022 -1.591 1.026) 1.893 2.355 ( 5.032 -4.549 -1.830) 7.026 2.411 ( 2.052 -8.253 -3.002) 9.019 2.682 ( 0.644 0.622 -4.281) 4.374 2.726 ( -0.068 -4.876 -1.597) 5.132 3.306 ( -0.201 3.233 -1.123) 3.428 3.330 ( -2.774 0.506 -2.611) 3.842 3.865 ( 0.400 1.570 -5.693) 5.919 3.896 ( -0.622 -1.434 -1.567) 2.214 4.155 ( -3.099 10.434 -8.509) 13.815 4.292 ( -4.317 -2.269 -6.315) 7.979 4.678 ( 14.095 -0.297 -11.419) 18.143 4.818 ( 6.593 -12.512 -8.345) 16.421 5.279 ( -3.642 4.362 3.645) 6.751 5.372 ( -1.141 -6.038 3.994) 7.328 6.460 ( 5.862 5.804 8.205) 11.635 6.573 ( 6.347 -6.364 6.504) 11.094 7.370 ( 4.385 8.805 0.431) 9.846 7.464 ( -0.704 7.021 11.759) 13.714 7.519 ( 1.388 -5.150 -7.213) 8.971 7.603 ( -0.698 -4.841 5.245) 7.171 9.045 ( 4.626 16.620 9.500) 19.694 9.295 ( 6.287 -9.611 7.381) 13.652 11.172 ( -28.163 -0.529 -10.907) 30.206 11.219 ( -21.717 -5.787 -9.911) 24.563 12.987 ( 9.973 3.440 -2.814) 10.918 13.055 ( 11.285 -3.566 -4.101) 12.526======================= Grid point 89 (47/116) =======================q-point: ( 0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 0.186 4.527 1.546) 4.787 0.801 ( -1.597 -0.994 0.707) 2.009 1.061 ( 10.221 4.816 4.555) 12.183 1.140 ( 10.769 -2.910 5.676) 12.516 1.246 ( 4.236 5.748 1.841) 7.374 1.278 ( 7.840 0.611 2.876) 8.373 1.384 ( 2.190 -0.002 1.814) 2.844 1.528 ( -9.915 -9.588 2.991) 14.113 1.674 ( 1.481 0.952 1.975) 2.645 1.700 ( 3.300 -0.616 0.991) 3.501 1.779 ( 0.109 4.990 -1.990) 5.373 1.860 ( 0.753 -1.566 -1.131) 2.074 1.966 ( 2.554 3.876 -3.470) 5.796 2.016 ( 1.835 -0.266 -4.470) 4.839 2.145 ( 4.612 6.239 1.797) 7.964 2.219 ( -0.035 -1.535 -4.077) 4.357 2.474 ( 6.569 -0.258 4.026) 7.709 2.525 ( 5.455 -3.293 4.739) 7.941 2.604 ( -3.257 1.475 -6.550) 7.462 2.680 ( -3.167 -7.108 -1.785) 7.984 3.253 ( -2.955 2.310 -1.582) 4.071 3.292 ( -0.404 -1.002 -0.951) 1.440 3.777 ( -5.342 2.701 -4.783) 7.662 3.845 ( -3.911 -3.688 -1.957) 5.721 4.065 ( 1.163 10.806 -6.207) 12.516 4.181 ( -2.473 -0.231 -2.773) 3.722 4.784 ( 9.939 -3.846 -11.149) 15.423 4.823 ( 3.661 -6.660 -10.198) 12.718 5.276 ( 0.136 3.564 2.698) 4.472 5.380 ( -1.233 -7.310 3.174) 8.064 6.637 ( 6.478 4.980 5.141) 9.654 6.730 ( 5.437 -5.432 3.686) 8.524 7.416 ( 4.428 5.515 -5.915) 9.221 7.508 ( 5.003 -4.043 -6.246) 8.966 7.597 ( 1.133 7.044 13.016) 14.843 7.701 ( 2.002 -3.708 12.426) 13.121 9.226 ( 6.383 17.397 8.785) 20.508 9.436 ( 4.220 -4.964 3.742) 7.513 10.553 ( -30.430 5.468 -10.652) 32.701 10.761 ( -21.697 -16.330 -5.571) 27.721 13.153 ( 11.180 2.267 -2.328) 11.643 13.204 ( 9.621 -2.908 -2.101) 10.269======================= Grid point 90 (48/116) =======================q-point: ( 0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( -0.311 1.018 0.607) 1.225 0.774 ( -2.337 -0.627 1.027) 2.628 1.196 ( -1.977 5.817 2.117) 6.499 1.249 ( 6.734 1.699 0.085) 6.946 1.360 ( 0.580 -0.791 -1.741) 1.998 1.368 ( -8.303 -2.910 0.411) 8.807 1.412 ( 5.668 0.877 0.977) 5.818 1.444 ( 3.542 -2.448 -0.263) 4.313 1.673 ( -0.120 2.223 -2.981) 3.721 1.718 ( -2.509 -3.018 -0.249) 3.932 1.760 ( 2.615 3.008 -1.883) 4.408 1.824 ( -0.873 -1.610 -3.175) 3.665 1.965 ( 3.376 4.410 -1.760) 5.826 2.047 ( 3.227 -3.372 -5.175) 6.969 2.192 ( 4.921 9.242 -3.467) 11.029 2.346 ( 9.483 -5.154 0.076) 10.793 2.461 ( -1.561 2.830 -7.383) 8.059 2.530 ( -2.827 -3.981 -6.444) 8.085 2.620 ( 1.442 3.983 7.908) 8.971 2.698 ( 0.963 -3.494 7.812) 8.612 3.215 ( -0.876 2.131 0.388) 2.337 3.289 ( 1.496 -4.572 -0.732) 4.866 3.631 ( -6.098 4.593 -3.582) 8.433 3.743 ( -4.377 -6.145 -3.129) 8.168 4.062 ( 2.988 10.208 -3.070) 11.070 4.165 ( 0.155 0.525 2.279) 2.344 4.745 ( 0.780 -2.014 -12.519) 12.703 4.798 ( 5.320 -7.440 -14.599) 17.228 5.328 ( 2.462 2.358 3.010) 4.547 5.414 ( 1.203 -6.460 4.678) 8.066 6.735 ( 3.383 2.561 -3.269) 5.356 6.788 ( 1.400 -3.156 -4.030) 5.307 7.421 ( 1.938 7.326 -4.688) 8.911 7.538 ( 2.938 -4.576 -2.754) 6.096 7.726 ( -0.739 6.767 12.511) 14.243 7.846 ( -0.070 -5.127 12.303) 13.329 9.372 ( 2.237 14.617 1.590) 14.873 9.527 ( 3.660 -3.152 1.846) 5.171 10.060 ( -17.490 15.968 0.029) 23.683 10.476 ( -9.371 -25.411 3.720) 27.339 13.291 ( 6.892 1.644 -0.920) 7.145 13.329 ( 5.745 -2.401 0.258) 6.231======================= Grid point 91 (49/116) =======================q-point: (-0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( -1.696 -0.118 -0.177) 1.709 0.753 ( -1.456 -1.877 0.257) 2.390 1.157 ( -3.960 3.405 -4.208) 6.707 1.201 ( -9.047 1.894 -9.298) 13.111 1.250 ( -2.091 -0.318 -2.043) 2.941 1.293 ( -0.096 -1.695 -1.713) 2.411 1.419 ( -3.165 1.836 -3.284) 4.917 1.472 ( -1.242 -3.704 -2.167) 4.467 1.696 ( 2.403 1.239 0.669) 2.785 1.719 ( 3.720 1.338 -0.309) 3.966 1.768 ( -0.540 2.609 -3.196) 4.161 1.817 ( 2.164 -2.368 -0.807) 3.307 2.023 ( 1.416 1.842 -0.337) 2.348 2.046 ( 6.002 1.936 -3.867) 7.398 2.137 ( -2.366 9.657 -10.804) 14.683 2.349 ( -1.588 -9.801 -8.643) 13.164 2.483 ( -0.623 1.169 -0.641) 1.472 2.513 ( 6.842 -1.690 1.091) 7.131 2.674 ( -1.454 3.656 6.078) 7.240 2.747 ( -3.402 -3.208 5.797) 7.448 3.221 ( 0.027 4.748 1.963) 5.138 3.342 ( 3.009 -7.560 1.836) 8.341 3.554 ( 2.575 6.036 -2.981) 7.207 3.679 ( 1.322 -6.226 -3.029) 7.049 4.097 ( 3.409 9.870 -1.151) 10.505 4.201 ( 0.096 0.192 3.673) 3.679 4.636 ( 1.995 -1.682 -14.787) 15.015 4.714 ( 3.522 -9.750 -18.221) 20.963 5.404 ( 2.090 3.598 4.703) 6.280 5.496 ( 1.830 -6.231 6.317) 9.060 6.664 ( -2.880 2.085 -12.525) 13.020 6.725 ( -1.752 -3.549 -8.428) 9.311 7.387 ( -2.329 12.488 -1.704) 12.817 7.544 ( -1.786 -3.771 1.689) 4.501 7.787 ( -3.661 3.170 9.216) 10.410 7.899 ( -4.967 -6.881 8.842) 12.256 9.317 ( -5.519 13.489 -4.762) 15.333 9.476 ( -4.702 -4.759 -5.288) 8.527 10.142 ( 12.618 16.523 18.268) 27.676 10.524 ( 5.029 -22.486 12.092) 26.021 13.369 ( 2.170 0.390 1.089) 2.460 13.386 ( -0.043 -1.529 1.019) 1.838======================= Grid point 92 (50/116) =======================q-point: (-0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( -1.609 0.899 -0.957) 2.077 0.736 ( 0.395 -2.686 -0.815) 2.834 0.939 ( -9.890 3.396 -9.436) 14.085 0.980 ( -8.072 -1.337 -9.338) 12.416 1.203 ( -1.954 6.456 -2.131) 7.074 1.266 ( -4.887 2.257 -7.136) 8.938 1.324 ( -2.118 -2.646 -3.454) 4.839 1.401 ( -0.660 -7.831 -1.490) 7.999 1.694 ( -2.799 4.678 -3.681) 6.578 1.734 ( -1.292 -0.641 -1.238) 1.901 1.757 ( 1.508 2.869 1.517) 3.579 1.820 ( 0.089 -2.379 -2.337) 3.336 1.999 ( -3.122 5.982 -6.393) 9.295 2.026 ( -0.325 3.035 -3.787) 4.864 2.147 ( 6.886 1.306 -2.183) 7.341 2.273 ( 0.732 -8.163 -2.887) 8.689 2.407 ( -5.672 8.606 -0.066) 10.307 2.606 ( 0.804 -8.386 1.826) 8.620 2.707 ( -2.141 -1.169 1.054) 2.657 2.710 ( -0.426 -2.037 2.704) 3.412 3.235 ( 0.024 6.928 0.541) 6.949 3.373 ( -1.495 -7.303 2.981) 8.028 3.686 ( 12.858 3.377 -1.136) 13.342 3.746 ( 7.934 -1.913 -0.956) 8.217 4.152 ( 5.408 7.965 -3.393) 10.208 4.222 ( -0.137 2.446 1.416) 2.830 4.562 ( 4.735 -4.902 -12.770) 14.475 4.601 ( 4.961 -9.941 -20.222) 23.072 5.472 ( -0.412 4.490 5.793) 7.341 5.568 ( -1.099 -6.223 6.692) 9.204 6.452 ( -6.505 5.757 -13.358) 15.934 6.576 ( -4.371 -7.063 -10.954) 13.747 7.326 ( -4.933 15.181 2.292) 16.126 7.506 ( -5.837 -3.620 4.074) 7.986 7.789 ( -4.665 0.291 6.789) 8.242 7.869 ( -6.391 -7.003 6.780) 11.655 9.155 ( -8.028 15.331 -3.632) 17.683 9.368 ( -3.719 -7.309 -4.513) 9.360 10.620 ( 21.616 7.816 17.881) 29.122 10.811 ( 14.212 -12.166 12.718) 22.621 13.341 ( -6.204 0.994 0.676) 6.320 13.379 ( -2.755 -2.914 1.722) 4.364======================= Grid point 93 (51/116) =======================q-point: (-0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( -3.900 4.051 -3.111) 6.426 0.706 ( -3.812 -0.951 -3.866) 5.511 0.774 ( -0.699 0.897 -0.930) 1.469 0.814 ( -3.347 -2.275 -1.258) 4.238 1.054 ( -5.547 5.563 -7.888) 11.133 1.142 ( -4.401 -2.801 -8.308) 9.810 1.227 ( -4.172 6.499 -2.037) 7.987 1.383 ( -2.634 -8.282 -2.364) 9.007 1.633 ( -1.728 3.431 -0.742) 3.913 1.680 ( -2.200 -0.390 -2.009) 3.004 1.771 ( -1.294 1.188 1.646) 2.407 1.814 ( 1.331 -2.751 0.157) 3.060 1.916 ( -4.253 3.582 -1.061) 5.661 1.944 ( -2.359 0.627 -2.539) 3.522 2.181 ( -0.084 2.989 -3.108) 4.313 2.296 ( 2.091 -2.496 0.097) 3.258 2.382 ( 2.334 5.779 -0.101) 6.234 2.576 ( -4.602 -9.483 3.583) 11.133 2.701 ( 1.949 0.603 -3.377) 3.945 2.732 ( 1.457 -3.377 -1.883) 4.132 3.243 ( 1.853 6.338 -1.373) 6.744 3.369 ( -0.900 -7.069 1.307) 7.245 3.855 ( 5.779 2.660 -1.012) 6.442 3.882 ( 7.856 0.257 -0.278) 7.865 4.195 ( 8.636 5.956 -11.603) 15.642 4.277 ( 5.019 3.783 2.474) 6.755 4.499 ( 6.759 -5.423 -19.480) 21.320 4.594 ( 8.451 -10.284 -6.969) 15.025 5.471 ( -5.730 4.146 4.266) 8.260 5.557 ( -6.731 -5.695 4.300) 9.810 6.263 ( -2.814 8.177 -7.351) 11.350 6.423 ( -2.509 -8.598 -7.238) 11.516 7.271 ( -5.443 14.593 4.901) 16.328 7.440 ( -7.005 -2.811 6.145) 9.733 7.758 ( -5.521 -0.700 4.881) 7.402 7.820 ( -6.541 -6.625 5.686) 10.909 8.995 ( -7.953 15.243 -0.800) 17.212 9.240 ( -7.275 -10.536 -3.270) 13.215 11.111 ( 19.902 4.968 8.397) 22.165 11.223 ( 21.752 -6.392 10.418) 24.951 13.194 ( -10.835 4.518 -0.704) 11.760 13.298 ( -8.216 -6.541 0.367) 10.508======================= Grid point 94 (52/116) =======================q-point: (-0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( 1.684 6.935 1.924) 7.391 0.654 ( -1.523 3.003 2.150) 3.995 0.732 ( -5.321 0.590 0.535) 5.381 0.805 ( 0.633 -5.609 0.222) 5.649 0.975 ( -1.127 2.722 -0.168) 2.951 1.013 ( -0.788 -2.323 -2.730) 3.670 1.149 ( -1.254 8.313 -0.443) 8.419 1.304 ( -1.622 -7.259 -2.728) 7.923 1.616 ( -0.706 0.741 1.858) 2.121 1.640 ( -1.412 1.399 0.231) 2.001 1.770 ( -0.694 2.652 1.961) 3.370 1.822 ( -5.497 9.163 1.775) 10.832 1.854 ( 0.622 -5.228 2.945) 6.033 1.944 ( 2.226 -2.185 -0.668) 3.190 2.159 ( 1.080 1.943 -0.957) 2.420 2.308 ( -0.998 -9.243 -0.111) 9.298 2.412 ( 0.327 7.616 -0.550) 7.643 2.550 ( 0.193 -3.613 -2.342) 4.310 2.688 ( 1.230 -0.186 -5.263) 5.408 2.721 ( 0.829 -4.890 -2.948) 5.770 3.273 ( 3.658 5.567 -2.667) 7.176 3.374 ( 0.731 -5.288 -0.028) 5.338 3.892 ( 1.745 3.213 -2.583) 4.477 3.944 ( 1.666 -1.711 -2.651) 3.568 4.250 ( 9.517 5.632 -11.350) 15.847 4.375 ( 5.935 -2.776 -4.346) 7.863 4.482 ( 9.790 4.813 -13.374) 17.259 4.705 ( 9.457 -13.401 -4.463) 16.998 5.381 ( -7.265 3.074 3.143) 8.492 5.441 ( -9.382 -4.300 2.657) 10.657 6.236 ( 2.538 6.911 0.285) 7.367 6.375 ( 1.153 -7.336 -1.238) 7.528 7.243 ( -3.382 14.199 5.974) 15.772 7.401 ( -5.787 -1.552 8.967) 10.784 7.689 ( -6.230 -1.232 1.532) 6.532 7.741 ( -7.960 -6.233 3.081) 10.569 8.902 ( -4.381 11.806 3.981) 13.207 9.101 ( -5.811 -9.132 1.016) 10.871 11.441 ( 14.641 8.676 -0.904) 17.043 11.620 ( 14.002 -10.050 2.960) 17.488 12.999 ( -8.732 6.105 -2.597) 10.966 13.115 ( -11.623 -6.541 -2.191) 13.516======================= Grid point 119 (53/116) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( -3.825 0.000 6.703) 7.717 0.505 ( -1.558 0.000 11.013) 11.123 0.760 ( -10.665 0.000 10.985) 15.310 0.828 ( 3.206 0.000 -2.901) 4.323 1.095 ( 3.825 0.000 9.367) 10.118 1.178 ( 0.695 0.000 5.877) 5.918 1.269 ( 2.447 0.000 26.938) 27.049 1.577 ( 10.437 0.000 3.752) 11.091 1.584 ( -9.616 0.000 -6.982) 11.883 1.584 ( 4.909 0.000 -4.644) 6.758 1.622 ( 2.467 0.000 -1.082) 2.694 1.736 ( 2.279 0.000 0.156) 2.284 1.802 ( -1.907 0.000 -0.139) 1.913 1.992 ( -2.641 0.000 -9.526) 9.886 2.011 ( 4.102 0.000 -4.896) 6.388 2.285 ( 10.149 0.000 -1.784) 10.304 2.463 ( 5.584 0.000 0.193) 5.588 2.542 ( -4.925 0.000 -2.496) 5.521 2.656 ( 5.032 0.000 -4.809) 6.960 2.769 ( -0.437 0.000 -13.256) 13.263 3.245 ( 7.465 0.000 7.779) 10.782 3.465 ( -1.196 0.000 1.193) 1.689 3.750 ( -7.052 0.000 3.679) 7.954 4.043 ( -8.797 0.000 -4.045) 9.683 4.113 ( -6.427 0.000 0.938) 6.495 4.189 ( -3.333 0.000 1.185) 3.537 4.677 ( 4.635 0.000 -5.753) 7.388 5.080 ( 7.389 0.000 1.383) 7.518 5.463 ( 6.439 0.000 -4.906) 8.095 5.532 ( -2.586 0.000 -21.766) 21.919 6.293 ( -0.634 0.000 11.156) 11.174 6.403 ( 21.484 0.000 19.470) 28.994 7.060 ( 5.482 0.000 -4.834) 7.309 7.293 ( -4.062 0.000 16.221) 16.722 7.459 ( -6.701 0.000 -4.728) 8.201 8.108 ( -17.892 0.000 -6.777) 19.133 8.680 ( -21.200 0.000 8.353) 22.786 9.237 ( 1.781 0.000 -6.019) 6.277 11.521 ( 34.741 0.000 0.286) 34.742 11.769 ( -27.437 0.000 -8.072) 28.599 12.626 ( 17.849 0.000 4.774) 18.476 12.926 ( -15.522 0.000 -4.671) 16.210======================= Grid point 120 (54/116) =======================q-point: ( 0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.458 ( 1.601 0.000 9.204) 9.342 0.632 ( 4.483 0.000 8.883) 9.950 0.777 ( 3.130 0.000 3.257) 4.517 0.889 ( 4.308 0.000 0.384) 4.325 1.122 ( -4.165 0.000 -0.459) 4.190 1.273 ( 4.502 0.000 4.675) 6.491 1.426 ( -0.293 0.000 2.340) 2.359 1.597 ( 3.881 0.000 7.766) 8.682 1.615 ( -1.731 0.000 -2.847) 3.332 1.666 ( 2.192 0.000 6.747) 7.095 1.733 ( 10.324 0.000 -4.085) 11.103 1.787 ( -0.185 0.000 4.163) 4.167 1.831 ( 4.055 0.000 3.930) 5.646 1.904 ( 3.453 0.000 -3.591) 4.982 1.932 ( -1.258 0.000 -14.238) 14.294 2.409 ( -2.229 0.000 -1.469) 2.669 2.460 ( 3.165 0.000 -0.782) 3.260 2.477 ( -0.734 0.000 -4.577) 4.636 2.642 ( 1.443 0.000 -12.902) 12.982 2.661 ( 0.688 0.000 -5.066) 5.112 3.390 ( -5.532 0.000 -3.353) 6.469 3.461 ( 6.993 0.000 6.039) 9.240 3.780 ( -1.280 0.000 17.129) 17.177 3.839 ( -8.327 0.000 -3.630) 9.084 3.988 ( -6.759 0.000 -2.249) 7.123 4.087 ( -9.848 0.000 4.203) 10.707 4.704 ( 4.949 0.000 -6.216) 7.946 5.106 ( -3.724 0.000 -0.650) 3.781 5.465 ( 14.701 0.000 -18.954) 23.988 5.549 ( 8.135 0.000 -3.219) 8.749 6.313 ( -7.910 0.000 9.004) 11.985 6.877 ( 14.946 0.000 10.421) 18.220 7.101 ( 5.350 0.000 -4.618) 7.067 7.168 ( -8.566 0.000 -11.969) 14.718 7.618 ( 11.676 0.000 20.839) 23.887 7.845 ( -4.478 0.000 0.555) 4.512 8.586 ( -7.780 0.000 12.475) 14.702 9.225 ( 3.323 0.000 -4.630) 5.698 11.124 ( -37.281 0.000 -7.569) 38.042 11.742 ( -5.697 0.000 0.586) 5.728 12.829 ( 10.310 0.000 -8.783) 13.544 13.009 ( 19.689 0.000 4.300) 20.154======================= Grid point 121 (55/116) =======================q-point: ( 0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 4.066 0.000 7.459) 8.495 0.762 ( 3.882 0.000 0.845) 3.973 0.890 ( 9.628 0.000 -2.307) 9.900 0.987 ( 4.201 0.000 7.907) 8.954 1.057 ( 0.115 0.000 -2.699) 2.702 1.379 ( 0.801 0.000 -3.387) 3.480 1.449 ( -3.504 0.000 1.214) 3.709 1.495 ( -2.636 0.000 -2.146) 3.399 1.536 ( -2.330 0.000 -8.827) 9.129 1.658 ( -9.251 0.000 -12.685) 15.700 1.677 ( -0.705 0.000 1.754) 1.891 1.891 ( 7.995 0.000 -2.483) 8.372 1.976 ( 2.934 0.000 0.611) 2.997 2.008 ( 10.021 0.000 -1.877) 10.195 2.041 ( 9.252 0.000 18.314) 20.519 2.274 ( -5.600 0.000 -4.111) 6.947 2.394 ( -0.493 0.000 -6.581) 6.599 2.477 ( 3.147 0.000 -9.627) 10.128 2.586 ( -4.319 0.000 -4.279) 6.080 2.638 ( 5.554 0.000 -3.970) 6.827 3.290 ( -1.568 0.000 -3.187) 3.552 3.450 ( -9.019 0.000 -0.781) 9.053 3.777 ( -11.187 0.000 3.295) 11.662 3.812 ( 2.310 0.000 2.534) 3.429 3.985 ( -6.076 0.000 5.577) 8.247 4.043 ( 4.876 0.000 16.782) 17.476 4.726 ( 5.295 0.000 -7.553) 9.224 5.040 ( -1.533 0.000 -2.071) 2.577 5.542 ( 12.176 0.000 -17.203) 21.076 5.665 ( 7.988 0.000 -1.974) 8.228 6.235 ( -10.038 0.000 9.661) 13.932 6.882 ( -8.003 0.000 -18.618) 20.265 6.930 ( 1.054 0.000 -14.446) 14.484 7.304 ( 9.077 0.000 10.842) 14.140 7.929 ( 7.864 0.000 4.624) 9.123 8.058 ( 13.856 0.000 20.607) 24.832 8.578 ( -7.536 0.000 12.703) 14.770 9.305 ( 9.830 0.000 1.525) 9.948 10.442 ( -35.074 0.000 -5.627) 35.523 11.548 ( -14.210 0.000 1.651) 14.306 12.992 ( 14.943 0.000 -5.555) 15.942 13.326 ( 12.996 0.000 3.967) 13.588======================= Grid point 122 (56/116) =======================q-point: (-0.62 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( 1.893 0.000 5.247) 5.578 0.792 ( 0.751 0.000 -0.086) 0.756 0.977 ( 3.577 0.000 -6.903) 7.775 1.124 ( 9.651 0.000 -2.990) 10.104 1.142 ( -9.598 0.000 -17.163) 19.664 1.166 ( 7.246 0.000 6.569) 9.780 1.268 ( -8.746 0.000 -6.118) 10.674 1.386 ( -11.110 0.000 -2.919) 11.487 1.475 ( -4.178 0.000 -2.779) 5.017 1.576 ( 5.360 0.000 -5.389) 7.601 1.705 ( 1.513 0.000 3.158) 3.502 1.911 ( 0.965 0.000 -7.781) 7.841 1.949 ( -2.979 0.000 -3.188) 4.363 2.116 ( 6.342 0.000 -1.056) 6.430 2.215 ( -1.867 0.000 2.112) 2.818 2.273 ( 4.628 0.000 2.996) 5.513 2.435 ( -10.625 0.000 -1.267) 10.701 2.487 ( 7.471 0.000 -8.160) 11.064 2.488 ( 13.309 0.000 6.074) 14.630 2.684 ( 6.167 0.000 -5.910) 8.541 3.279 ( -9.956 0.000 0.747) 9.984 3.286 ( 3.765 0.000 -2.176) 4.349 3.618 ( -8.861 0.000 0.497) 8.875 3.812 ( -2.501 0.000 0.180) 2.508 4.006 ( 0.220 0.000 4.990) 4.995 4.268 ( 0.833 0.000 18.141) 18.161 4.745 ( 6.364 0.000 -9.215) 11.199 5.027 ( 1.718 0.000 -1.117) 2.049 5.518 ( 4.705 0.000 -19.193) 19.762 5.732 ( 0.990 0.000 -3.529) 3.666 6.219 ( -2.623 0.000 13.126) 13.386 6.587 ( -6.345 0.000 -16.693) 17.858 6.801 ( 1.255 0.000 -15.605) 15.655 7.488 ( 2.209 0.000 7.558) 7.874 8.097 ( 6.246 0.000 3.184) 7.011 8.344 ( 2.162 0.000 9.720) 9.958 8.569 ( -7.788 0.000 13.771) 15.820 9.606 ( 14.455 0.000 7.792) 16.421 9.917 ( -18.768 0.000 2.601) 18.947 11.363 ( -8.361 0.000 0.164) 8.362 13.208 ( 13.389 0.000 0.474) 13.397 13.504 ( 4.148 0.000 3.022) 5.132======================= Grid point 123 (57/116) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( 1.705 0.000 5.369) 5.633 0.798 ( -2.330 0.000 -0.620) 2.411 0.847 ( -3.362 0.000 -14.787) 15.164 0.850 ( -9.617 0.000 -9.048) 13.204 1.153 ( -9.281 0.000 0.255) 9.284 1.159 ( -1.567 0.000 -13.479) 13.569 1.169 ( 3.192 0.000 -2.134) 3.839 1.388 ( 7.943 0.000 -2.208) 8.244 1.400 ( 2.655 0.000 -0.438) 2.690 1.516 ( 0.795 0.000 -10.342) 10.373 1.768 ( 0.367 0.000 4.886) 4.900 1.873 ( 0.150 0.000 -2.474) 2.479 1.898 ( -2.258 0.000 1.903) 2.953 2.155 ( 1.508 0.000 -6.060) 6.244 2.215 ( -14.325 0.000 1.810) 14.439 2.281 ( 2.113 0.000 7.429) 7.724 2.332 ( 3.070 0.000 -3.385) 4.570 2.463 ( -0.356 0.000 -7.027) 7.036 2.790 ( 13.582 0.000 3.920) 14.137 2.795 ( 10.723 0.000 -3.174) 11.182 3.142 ( -7.094 0.000 1.134) 7.184 3.365 ( 9.000 0.000 -4.068) 9.877 3.506 ( -5.282 0.000 1.342) 5.449 3.777 ( -1.376 0.000 0.161) 1.385 4.036 ( 0.036 0.000 1.446) 1.447 4.381 ( -4.147 0.000 12.216) 12.901 4.769 ( 7.025 0.000 -10.404) 12.553 5.075 ( 4.366 0.000 0.370) 4.382 5.359 ( -2.023 0.000 -17.913) 18.027 5.629 ( -5.848 0.000 -6.495) 8.739 6.277 ( -1.010 0.000 -8.447) 8.507 6.500 ( 1.498 0.000 18.419) 18.479 6.691 ( 1.627 0.000 -14.142) 14.235 7.508 ( -4.817 0.000 0.851) 4.892 8.187 ( 1.901 0.000 2.651) 3.262 8.342 ( -7.843 0.000 2.926) 8.371 8.592 ( -5.484 0.000 17.241) 18.092 9.483 ( -9.858 0.000 -5.944) 11.511 10.255 ( 23.000 0.000 21.548) 31.517 11.251 ( -3.752 0.000 -4.675) 5.995 13.441 ( 11.696 0.000 3.477) 12.202 13.516 ( -4.945 0.000 0.955) 5.036======================= Grid point 124 (58/116) =======================q-point: (-0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( -13.051 0.000 -4.548) 13.821 0.658 ( -3.813 0.000 -4.079) 5.584 0.843 ( -1.428 0.000 4.137) 4.376 0.845 ( 2.659 0.000 2.180) 3.439 0.973 ( -4.036 0.000 -8.392) 9.313 1.028 ( -5.396 0.000 -0.558) 5.425 1.277 ( 9.136 0.000 0.749) 9.167 1.309 ( 0.729 0.000 -14.336) 14.354 1.486 ( 7.174 0.000 -3.797) 8.117 1.632 ( 11.027 0.000 -0.091) 11.027 1.711 ( -15.179 0.000 3.462) 15.569 1.853 ( -0.773 0.000 -0.832) 1.136 1.898 ( -0.551 0.000 7.106) 7.128 2.088 ( -4.387 0.000 7.308) 8.524 2.112 ( -1.496 0.000 -6.633) 6.799 2.153 ( -11.621 0.000 -4.943) 12.629 2.321 ( 2.791 0.000 -8.840) 9.270 2.551 ( 8.195 0.000 2.284) 8.507 2.871 ( -2.201 0.000 -9.958) 10.199 2.905 ( 4.561 0.000 -2.343) 5.127 3.126 ( 1.613 0.000 4.697) 4.966 3.461 ( -0.899 0.000 0.208) 0.923 3.523 ( 13.286 0.000 -3.271) 13.683 3.783 ( 2.089 0.000 0.749) 2.220 4.062 ( 2.750 0.000 0.713) 2.841 4.371 ( -7.253 0.000 7.548) 10.468 4.771 ( 4.818 0.000 -11.577) 12.539 5.125 ( 0.299 0.000 -12.561) 12.564 5.226 ( 2.693 0.000 5.247) 5.898 5.481 ( -3.147 0.000 -6.631) 7.340 6.165 ( -3.396 0.000 -3.409) 4.812 6.566 ( -1.438 0.000 -15.588) 15.654 6.779 ( 3.649 0.000 25.473) 25.733 7.349 ( -9.924 0.000 -5.892) 11.541 8.177 ( -12.906 0.000 0.708) 12.926 8.234 ( 0.349 0.000 3.948) 3.964 8.755 ( 3.339 0.000 25.314) 25.534 9.338 ( -1.783 0.000 -5.631) 5.906 10.844 ( 25.039 0.000 17.192) 30.373 11.093 ( -6.447 0.000 -14.634) 15.991 13.358 ( -13.393 0.000 -1.759) 13.508 13.631 ( 7.186 0.000 0.751) 7.225======================= Grid point 125 (59/116) =======================q-point: (-0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( -1.566 0.000 12.100) 12.201 0.569 ( -8.141 0.000 5.168) 9.643 0.790 ( -6.655 0.000 -0.902) 6.715 0.905 ( -1.926 0.000 -1.640) 2.529 0.909 ( -1.984 0.000 4.858) 5.248 1.033 ( 7.866 0.000 7.324) 10.747 1.242 ( 1.959 0.000 -6.358) 6.653 1.385 ( -20.922 0.000 4.891) 21.486 1.451 ( 8.675 0.000 0.146) 8.676 1.580 ( 3.746 0.000 -1.723) 4.124 1.773 ( 1.312 0.000 -10.392) 10.474 1.806 ( -0.422 0.000 -2.219) 2.259 1.880 ( -4.657 0.000 0.847) 4.734 2.014 ( 4.663 0.000 8.584) 9.769 2.101 ( -2.611 0.000 3.729) 4.552 2.106 ( 2.567 0.000 -3.497) 4.339 2.277 ( 2.103 0.000 -10.015) 10.233 2.658 ( 3.589 0.000 -2.034) 4.126 2.675 ( -4.215 0.000 -13.622) 14.260 2.917 ( 1.683 0.000 -5.221) 5.486 3.152 ( -2.473 0.000 1.991) 3.175 3.455 ( -0.304 0.000 0.487) 0.574 3.725 ( 12.018 0.000 -2.302) 12.237 3.885 ( 9.267 0.000 2.037) 9.488 4.137 ( 3.386 0.000 1.988) 3.927 4.293 ( -9.188 0.000 6.161) 11.062 4.718 ( 2.012 0.000 -10.894) 11.079 4.993 ( -3.474 0.000 -4.708) 5.851 5.418 ( 2.060 0.000 -5.765) 6.122 5.451 ( 12.643 0.000 12.043) 17.461 6.120 ( -2.178 0.000 4.295) 4.815 6.310 ( -9.889 0.000 -20.298) 22.579 7.042 ( -0.528 0.000 24.335) 24.341 7.139 ( -6.243 0.000 -6.520) 9.027 7.940 ( -14.537 0.000 -1.386) 14.603 8.273 ( -0.223 0.000 4.103) 4.109 9.200 ( 16.884 0.000 28.806) 33.390 9.289 ( 1.408 0.000 -5.746) 5.916 10.726 ( -14.464 0.000 -22.757) 26.965 11.403 ( 26.146 0.000 10.381) 28.131 13.041 ( -20.802 0.000 -3.958) 21.175 13.637 ( -4.904 0.000 -6.800) 8.384======================= Grid point 126 (60/116) =======================q-point: (-0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( -7.576 0.000 8.807) 11.617 0.504 ( -10.957 0.000 2.889) 11.331 0.775 ( 2.224 0.000 16.810) 16.956 0.848 ( -1.518 0.000 -2.653) 3.056 0.950 ( -2.988 0.000 7.114) 7.716 1.130 ( -15.951 0.000 19.623) 25.289 1.163 ( -3.079 0.000 3.239) 4.469 1.333 ( 11.256 0.000 6.995) 13.252 1.571 ( 5.430 0.000 -1.212) 5.564 1.601 ( -1.511 0.000 -6.893) 7.057 1.628 ( 4.163 0.000 -2.162) 4.691 1.828 ( 0.424 0.000 -1.904) 1.950 1.933 ( 6.550 0.000 -1.534) 6.727 1.941 ( -12.849 0.000 -7.223) 14.740 2.116 ( -3.033 0.000 -5.941) 6.670 2.159 ( 7.150 0.000 -2.794) 7.676 2.293 ( 10.450 0.000 2.761) 10.808 2.602 ( 6.158 0.000 -6.811) 9.182 2.637 ( -1.617 0.000 -4.873) 5.134 2.872 ( 0.624 0.000 -8.991) 9.012 3.134 ( -1.149 0.000 4.488) 4.633 3.458 ( -0.053 0.000 0.857) 0.858 3.825 ( 0.510 0.000 -1.290) 1.387 4.107 ( 12.231 0.000 0.532) 12.243 4.161 ( -2.608 0.000 0.030) 2.608 4.196 ( -7.549 0.000 4.507) 8.793 4.670 ( 3.003 0.000 -7.568) 8.142 4.957 ( 1.882 0.000 1.967) 2.722 5.422 ( 4.507 0.000 -5.876) 7.406 5.853 ( 16.130 0.000 -0.721) 16.146 5.908 ( -10.278 0.000 -3.066) 10.725 6.177 ( 0.896 0.000 9.839) 9.880 7.044 ( 1.055 0.000 -5.120) 5.228 7.201 ( -5.205 0.000 21.050) 21.684 7.680 ( -12.617 0.000 -4.352) 13.347 8.288 ( -2.406 0.000 1.678) 2.933 9.263 ( 1.837 0.000 -6.028) 6.302 9.276 ( -32.249 0.000 -10.101) 33.794 10.738 ( 37.130 0.000 10.387) 38.555 11.878 ( 19.518 0.000 2.491) 19.676 12.627 ( -20.929 0.000 -2.772) 21.112 13.331 ( -21.087 0.000 -7.961) 22.540======================= Grid point 127 (61/116) =======================q-point: ( 0.00 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( -3.642 4.141 6.291) 8.366 0.521 ( -2.287 4.027 8.636) 9.800 0.800 ( -4.894 2.587 5.714) 7.956 0.843 ( 2.474 1.270 -1.928) 3.384 1.108 ( 4.543 0.839 10.228) 11.223 1.216 ( 0.682 3.691 7.878) 8.726 1.329 ( 2.562 1.984 13.316) 13.705 1.443 ( -0.554 -3.999 3.062) 5.067 1.496 ( 6.207 -3.617 4.408) 8.429 1.650 ( 1.652 2.026 0.719) 2.711 1.724 ( -3.654 6.995 -4.621) 9.145 1.759 ( 2.035 1.229 1.727) 2.938 1.817 ( -2.043 1.528 -0.646) 2.632 1.992 ( 4.744 0.447 -6.041) 7.694 2.070 ( -1.298 4.304 -6.044) 7.532 2.260 ( 10.295 -1.958 -1.935) 10.657 2.460 ( 5.001 -1.685 0.246) 5.283 2.489 ( -4.561 -5.196 -6.725) 9.645 2.606 ( 5.022 -2.742 -3.517) 6.716 2.832 ( -0.827 4.976 -12.416) 13.402 3.183 ( 7.698 -5.400 7.061) 11.759 3.488 ( -4.494 -0.030 -1.122) 4.632 3.713 ( -6.067 -2.557 5.441) 8.541 3.985 ( -2.375 -6.478 1.565) 7.075 4.041 ( -8.100 -0.151 -4.216) 9.133 4.257 ( -1.193 2.154 -2.657) 3.622 4.602 ( 8.838 -8.299 -7.999) 14.525 5.055 ( 11.456 -6.833 -4.024) 13.933 5.288 ( -5.657 -3.145 -4.143) 7.685 5.609 ( 2.107 -2.275 -10.076) 10.542 6.297 ( 0.695 4.059 10.966) 11.713 6.574 ( 17.975 11.458 16.940) 27.228 6.943 ( 2.746 -5.102 -3.125) 6.584 7.411 ( -4.263 6.623 14.469) 16.474 7.522 ( -5.621 6.237 -7.907) 11.533 7.969 ( -15.074 -11.902 -3.651) 19.550 8.734 ( -13.964 6.216 10.303) 18.433 9.314 ( 0.206 5.619 -4.123) 6.973 11.449 ( 27.107 -6.112 0.094) 27.788 11.725 ( -26.599 -4.634 -8.301) 28.247 12.697 ( 16.516 5.946 0.591) 17.564 12.913 ( -13.536 -1.304 -4.610) 14.359======================= Grid point 128 (62/116) =======================q-point: ( 0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( 2.411 5.313 7.400) 9.423 0.611 ( 5.179 0.525 4.752) 7.048 0.846 ( 5.266 4.379 0.687) 6.883 0.914 ( 4.795 2.516 2.605) 6.009 1.156 ( -4.599 3.519 0.203) 5.795 1.292 ( 1.610 2.834 4.111) 5.246 1.362 ( 2.471 -5.456 3.280) 6.829 1.587 ( 3.812 -6.735 -3.010) 8.303 1.654 ( 1.382 1.909 0.287) 2.374 1.658 ( 1.101 4.592 4.781) 6.720 1.750 ( 6.216 3.315 1.311) 7.166 1.801 ( 1.726 1.837 7.150) 7.582 1.826 ( 2.797 1.857 6.888) 7.663 1.965 ( -2.164 2.674 -12.703) 13.161 1.986 ( 2.375 4.852 -3.544) 6.461 2.332 ( -6.199 -7.558 -4.159) 10.623 2.406 ( 3.896 -2.689 -1.582) 4.991 2.505 ( 2.901 0.727 -2.012) 3.605 2.610 ( 1.113 -2.308 -5.328) 5.912 2.712 ( 1.170 3.898 -12.328) 12.982 3.355 ( -6.841 -3.998 -2.750) 8.388 3.392 ( 7.021 -6.063 6.209) 11.162 3.744 ( -2.839 -2.663 11.722) 12.352 3.848 ( -8.042 0.870 -3.773) 8.925 3.944 ( -1.412 -1.614 -0.171) 2.151 4.153 ( -8.474 3.635 1.464) 9.337 4.675 ( 8.286 -3.887 -8.124) 12.238 5.119 ( -5.847 -5.578 -7.153) 10.792 5.214 ( 11.962 -8.865 -6.229) 16.140 5.624 ( 5.914 -0.967 -5.599) 8.201 6.384 ( -2.271 7.165 9.749) 12.310 6.930 ( 1.026 -7.131 -8.619) 11.233 6.994 ( 13.146 7.727 13.034) 20.060 7.341 ( -4.828 9.460 -11.845) 15.909 7.584 ( 8.195 -2.525 16.797) 18.859 7.811 ( -0.654 -2.786 2.935) 4.099 8.700 ( -5.663 11.516 13.592) 18.693 9.290 ( 2.290 5.964 -4.572) 7.856 11.089 ( -36.904 -3.555 -7.849) 37.897 11.624 ( -6.050 -11.721 1.880) 13.324 12.834 ( 10.075 0.698 -7.033) 12.306 13.021 ( 18.058 0.798 1.682) 18.154======================= Grid point 129 (63/116) =======================q-point: ( 0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 4.419 2.827 5.379) 7.513 0.749 ( 5.004 0.481 1.641) 5.288 0.962 ( 10.444 4.594 -1.691) 11.534 1.043 ( 3.963 6.045 7.967) 10.757 1.075 ( -0.605 2.962 -4.868) 5.731 1.372 ( 2.770 -0.702 -0.305) 2.874 1.411 ( -3.524 -2.138 -0.216) 4.127 1.496 ( -1.665 -2.988 -6.190) 7.072 1.538 ( -5.364 3.491 -3.477) 7.284 1.693 ( -5.204 2.983 -2.231) 6.400 1.741 ( -4.013 5.284 -11.364) 13.159 1.894 ( 9.624 -1.366 -1.021) 9.773 1.917 ( 5.190 -2.920 1.192) 6.073 2.016 ( 1.991 -0.750 -0.086) 2.129 2.110 ( 9.172 5.565 14.705) 18.203 2.186 ( -5.105 -6.717 -2.451) 8.786 2.347 ( -0.648 -2.934 -7.971) 8.519 2.527 ( 2.851 2.625 -8.062) 8.945 2.601 ( -0.586 -0.030 -1.723) 1.820 2.653 ( 3.499 2.666 -5.750) 7.239 3.258 ( -1.184 -3.252 -2.308) 4.160 3.427 ( -6.671 -2.381 0.370) 7.093 3.722 ( -6.132 -2.977 2.758) 7.354 3.789 ( 0.081 -2.824 1.869) 3.388 3.953 ( -2.498 -2.894 2.232) 4.427 4.114 ( -0.639 5.339 13.713) 14.730 4.718 ( 5.938 -1.383 -8.980) 10.854 4.989 ( -1.670 -7.543 -6.523) 10.111 5.326 ( 9.414 -11.438 -9.492) 17.594 5.662 ( 3.232 -3.436 -2.780) 5.475 6.429 ( -1.668 14.127 9.226) 16.955 6.807 ( -2.649 -3.947 -14.467) 15.228 7.034 ( -4.374 7.460 -16.087) 18.264 7.365 ( 7.670 6.081 9.206) 13.437 7.910 ( 10.468 -4.412 9.565) 14.850 7.956 ( 7.942 -5.145 12.754) 15.881 8.753 ( -3.489 15.621 13.017) 20.631 9.351 ( 8.580 4.489 1.702) 9.832 10.410 ( -34.824 -3.000 -5.506) 35.384 11.444 ( -13.971 -10.863 3.054) 17.959 13.006 ( 14.827 1.427 -4.866) 15.670 13.306 ( 12.500 -2.044 3.214) 13.067======================= Grid point 130 (64/116) =======================q-point: (-0.62 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 4.347 2.542 3.301) 6.021 0.792 ( -0.080 0.725 1.675) 1.827 1.030 ( 0.932 2.908 -6.210) 6.920 1.091 ( -2.917 2.918 -10.822) 11.581 1.177 ( 4.433 1.893 4.667) 6.709 1.214 ( 3.054 3.142 -4.878) 6.557 1.313 ( -5.580 4.487 -6.346) 9.568 1.429 ( -11.502 4.479 -4.177) 13.031 1.463 ( -3.254 -0.704 -3.324) 4.704 1.563 ( 5.783 -1.262 -4.422) 7.389 1.711 ( 1.351 0.495 -0.505) 1.524 1.908 ( -0.748 -0.517 -6.112) 6.179 1.941 ( -2.366 -0.814 -3.064) 3.955 2.049 ( 4.396 -7.509 -4.014) 9.582 2.117 ( -2.384 -4.845 4.971) 7.339 2.316 ( 7.165 1.697 -1.612) 7.538 2.456 ( 7.213 0.386 0.316) 7.230 2.503 ( 4.999 -0.461 -1.321) 5.191 2.531 ( -3.202 6.364 2.041) 7.410 2.697 ( 6.390 1.612 -4.873) 8.196 3.262 ( -0.580 -0.877 -2.000) 2.259 3.293 ( -4.006 -0.348 0.771) 4.094 3.618 ( -6.011 -0.095 -0.906) 6.080 3.786 ( -2.258 -2.755 0.446) 3.590 3.958 ( 0.184 -4.616 3.712) 5.927 4.268 ( -0.375 0.140 15.132) 15.137 4.710 ( 4.035 -3.888 -10.008) 11.470 4.941 ( 2.925 -10.886 -7.470) 13.523 5.334 ( 2.520 -8.365 -9.796) 13.126 5.702 ( 3.780 -3.678 -1.154) 5.399 6.519 ( 0.609 17.636 12.315) 21.519 6.573 ( -6.999 2.113 -17.898) 19.333 6.821 ( -0.945 4.034 -17.236) 17.727 7.532 ( 1.745 4.307 7.937) 9.197 8.096 ( 6.034 -0.359 3.093) 6.790 8.163 ( 0.505 -12.051 11.442) 16.625 8.789 ( -5.084 16.131 8.934) 19.127 9.617 ( 9.856 0.529 4.912) 11.025 9.912 ( -14.871 0.507 6.272) 16.147 11.279 ( -8.061 -8.905 2.100) 12.194 13.217 ( 12.764 1.030 0.278) 12.809 13.479 ( 4.365 -2.570 2.801) 5.788======================= Grid point 131 (65/116) =======================q-point: (-0.50 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( -2.371 -1.077 -0.104) 2.606 0.823 ( 0.104 1.537 -1.362) 2.056 0.847 ( -6.121 2.100 -8.368) 10.578 0.924 ( -4.822 5.045 -7.296) 10.096 1.115 ( -9.252 0.336 -3.361) 9.849 1.193 ( -4.915 2.187 -9.995) 11.351 1.231 ( 2.797 6.093 -2.212) 7.059 1.371 ( 1.902 -0.883 -2.108) 2.974 1.450 ( 8.657 3.847 -0.653) 9.496 1.512 ( 0.779 0.058 -11.030) 11.058 1.779 ( 2.167 0.533 4.416) 4.948 1.867 ( -0.224 -0.679 -1.072) 1.289 1.888 ( -2.167 -0.935 0.182) 2.367 2.026 ( -0.824 -8.514 -3.419) 9.212 2.179 ( 0.428 -3.636 5.512) 6.617 2.320 ( -7.171 4.092 -3.478) 8.960 2.396 ( -0.467 0.546 -4.568) 4.624 2.486 ( 2.493 3.567 -2.185) 4.870 2.772 ( 7.067 -2.116 0.401) 7.388 2.797 ( 13.075 1.025 0.674) 13.133 3.143 ( -7.325 0.244 0.835) 7.376 3.372 ( 9.657 0.473 -3.843) 10.404 3.532 ( -3.146 2.147 0.167) 3.812 3.757 ( -1.169 -2.258 0.561) 2.604 3.992 ( 1.436 -4.283 0.573) 4.553 4.338 ( -5.267 -4.065 9.978) 11.993 4.686 ( 5.031 -7.968 -11.550) 14.906 4.922 ( 3.040 -16.121 -8.172) 18.328 5.284 ( 0.552 1.500 -3.552) 3.895 5.727 ( 1.267 2.165 -5.571) 6.110 6.293 ( -6.815 0.979 -13.623) 15.264 6.647 ( 0.550 2.961 -0.424) 3.041 6.710 ( 1.165 13.924 4.830) 14.784 7.557 ( -4.439 4.653 2.004) 6.736 8.167 ( -1.724 -3.093 3.796) 5.191 8.215 ( -2.102 -8.439 6.319) 10.751 8.756 ( -8.008 13.082 9.865) 18.237 9.465 ( -8.047 -1.823 -6.195) 10.318 10.283 ( 22.053 3.117 21.929) 31.256 11.195 ( -3.026 -6.003 -2.362) 7.126 13.430 ( 10.107 -1.113 2.953) 10.588 13.497 ( -4.373 -1.991 1.006) 4.909======================= Grid point 132 (66/116) =======================q-point: (-0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( -11.471 3.318 -3.642) 12.484 0.725 ( -1.976 5.578 -5.499) 8.078 0.793 ( -1.989 -2.067 4.014) 4.934 0.891 ( -2.441 1.133 -0.879) 2.831 0.963 ( -2.514 -3.153 -0.845) 4.120 1.021 ( -6.065 2.908 -3.172) 7.437 1.268 ( -0.861 -2.437 -11.207) 11.501 1.345 ( 9.072 6.420 -0.430) 11.122 1.523 ( 5.397 1.242 -3.930) 6.791 1.616 ( 9.955 0.541 -1.352) 10.061 1.740 ( -11.409 1.901 0.269) 11.569 1.849 ( -1.279 -0.651 -0.028) 1.435 1.901 ( 1.728 -0.229 5.914) 6.165 1.998 ( -3.407 -5.607 0.588) 6.587 2.149 ( -6.753 -0.318 -1.184) 6.863 2.156 ( -6.263 3.408 0.735) 7.168 2.345 ( 3.780 0.558 -9.400) 10.147 2.559 ( 5.706 0.834 -1.514) 5.962 2.780 ( -1.806 -6.002 -6.730) 9.197 2.964 ( 4.963 3.183 -3.541) 6.878 3.073 ( -2.728 -4.453 4.168) 6.682 3.500 ( 6.149 2.331 -4.863) 8.178 3.555 ( 8.987 3.588 0.409) 9.685 3.769 ( 2.227 -1.760 0.623) 2.906 4.038 ( 4.395 -2.691 -0.007) 5.153 4.294 ( -8.133 -6.921 6.531) 12.518 4.650 ( 4.327 -11.168 -14.041) 18.455 4.905 ( 3.047 -15.489 -5.343) 16.665 5.303 ( 0.939 7.086 3.358) 7.897 5.642 ( -0.162 8.489 -9.883) 13.029 6.129 ( -4.263 -2.614 -2.796) 5.729 6.544 ( -1.308 -2.037 -12.716) 12.945 6.883 ( -1.301 11.156 21.016) 23.829 7.437 ( -7.572 7.852 -3.078) 11.334 8.108 ( -8.909 -5.387 3.536) 10.995 8.236 ( -1.320 -2.476 3.540) 4.517 8.769 ( -3.589 3.272 18.044) 18.686 9.361 ( 0.890 1.523 -4.677) 4.999 10.846 ( 20.930 0.375 14.703) 25.581 11.101 ( 0.033 0.411 -9.253) 9.262 13.347 ( -12.787 -0.952 -1.536) 12.914 13.586 ( 4.909 -4.389 0.933) 6.651======================= Grid point 133 (67/116) =======================q-point: (-0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.510 ( -2.231 4.853 10.923) 12.159 0.625 ( -8.168 3.961 3.928) 9.891 0.764 ( -5.853 -0.665 -1.013) 5.977 0.877 ( 0.649 -1.752 2.731) 3.309 0.927 ( -3.924 0.879 4.368) 5.937 1.039 ( 6.228 0.579 6.785) 9.228 1.179 ( -0.246 -4.516 -6.135) 7.622 1.486 ( -14.861 8.328 3.402) 17.372 1.510 ( 7.719 5.028 -0.655) 9.235 1.545 ( -1.044 -3.354 -3.031) 4.639 1.749 ( 4.906 -1.745 -5.187) 7.350 1.806 ( -2.580 0.077 -0.873) 2.725 1.859 ( -3.475 -1.148 0.132) 3.662 2.008 ( 2.897 -1.055 4.313) 5.301 2.095 ( 1.561 -0.309 -2.248) 2.755 2.145 ( -0.095 3.941 4.137) 5.715 2.320 ( 3.160 2.929 -9.550) 10.477 2.552 ( -1.183 -7.272 -10.168) 12.557 2.677 ( 0.393 -1.827 -5.967) 6.253 2.964 ( 1.809 4.156 -5.163) 6.870 3.069 ( -3.085 -6.698 3.451) 8.141 3.528 ( 2.395 5.091 -3.407) 6.577 3.736 ( 10.743 1.114 -1.890) 10.965 3.852 ( 5.853 -3.838 2.296) 7.367 4.117 ( 2.736 -4.121 0.232) 4.952 4.223 ( -5.589 -3.590 5.924) 8.901 4.580 ( 3.416 -12.776 -13.382) 18.814 4.922 ( 3.085 -7.632 -3.347) 8.886 5.333 ( -1.117 2.072 3.111) 3.901 5.650 ( 8.974 5.754 -3.057) 11.090 6.072 ( -2.997 -2.253 3.708) 5.273 6.367 ( -6.405 5.251 -10.840) 13.642 6.974 ( -5.944 0.672 10.134) 11.768 7.341 ( -3.523 13.221 6.023) 14.949 7.939 ( -12.364 -0.824 -0.529) 12.403 8.234 ( -2.547 -4.545 3.161) 6.094 8.963 ( 2.768 -11.891 18.152) 21.876 9.381 ( 2.162 1.354 1.660) 3.044 10.827 ( -2.826 8.321 -17.589) 19.662 11.447 ( 26.277 3.393 7.942) 27.660 13.047 ( -19.660 0.809 -3.621) 20.007 13.565 ( -6.535 -6.822 -4.759) 10.577======================= Grid point 134 (68/116) =======================q-point: (-0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( -8.800 1.201 4.393) 9.909 0.535 ( -7.693 5.169 7.672) 12.031 0.814 ( 1.462 4.152 16.155) 16.744 0.866 ( -2.148 1.419 -0.438) 2.612 0.931 ( -1.556 -1.790 5.393) 5.891 1.118 ( -1.555 -0.444 6.115) 6.325 1.247 ( 1.382 0.700 7.008) 7.178 1.342 ( -4.032 6.849 12.362) 14.697 1.457 ( -0.934 -7.650 -3.552) 8.486 1.616 ( 4.113 4.025 -1.223) 5.883 1.717 ( 1.403 3.244 -0.954) 3.661 1.835 ( -0.855 0.831 -1.048) 1.588 1.900 ( 7.577 -2.885 -1.856) 8.317 1.950 ( -9.382 1.006 -5.468) 10.906 2.120 ( 5.989 -0.487 -2.975) 6.705 2.180 ( -1.413 3.049 -5.881) 6.774 2.323 ( 8.897 1.824 0.411) 9.091 2.527 ( 6.571 -5.589 -4.979) 9.960 2.615 ( -1.499 -2.988 -7.205) 7.943 2.932 ( 1.082 5.462 -8.494) 10.156 3.063 ( -0.395 -6.048 4.843) 7.759 3.524 ( 0.421 4.650 -2.081) 5.112 3.805 ( -3.334 -2.694 -0.087) 4.287 3.962 ( 1.743 -9.905 5.111) 11.282 4.141 ( 1.789 -2.180 -3.252) 4.305 4.228 ( 2.237 1.419 0.768) 2.758 4.551 ( 6.312 -11.682 -9.784) 16.494 4.948 ( 3.722 -2.209 -1.285) 4.515 5.342 ( 0.755 -2.470 -1.289) 2.887 5.731 ( 0.505 -10.757 -9.411) 14.302 6.168 ( 9.618 12.924 12.863) 20.615 6.225 ( -2.952 9.971 3.467) 10.961 6.941 ( -1.522 -3.399 0.241) 3.732 7.377 ( -5.361 11.714 13.831) 18.901 7.714 ( -10.746 2.514 -4.374) 11.871 8.189 ( -6.540 -10.503 0.344) 12.378 8.987 ( -14.865 -11.608 2.328) 19.003 9.368 ( -5.882 -0.162 1.942) 6.197 10.902 ( 28.559 12.456 -3.277) 31.329 11.883 ( 16.358 -1.105 -0.629) 16.407 12.675 ( -16.178 5.083 -3.048) 17.229 13.278 ( -19.607 -5.070 -6.268) 21.200======================= Grid point 135 (69/116) =======================q-point: ( 0.00 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -0.873 5.986 3.868) 7.180 0.666 ( -2.198 9.467 3.986) 10.504 0.822 ( 0.633 -0.155 2.211) 2.305 0.864 ( 1.037 0.666 -0.603) 1.372 1.061 ( 5.700 -5.905 7.028) 10.805 1.272 ( 5.196 -6.579 8.992) 12.293 1.320 ( 1.423 4.930 8.969) 10.333 1.356 ( 1.982 2.462 -2.826) 4.239 1.656 ( -1.202 6.258 5.398) 8.351 1.673 ( 0.999 7.010 11.175) 13.229 1.776 ( -0.472 1.464 1.289) 2.007 1.823 ( -2.355 0.323 2.674) 3.578 1.898 ( -2.119 8.978 -2.091) 9.458 1.978 ( 5.809 -1.492 -2.221) 6.395 2.127 ( -3.508 0.403 -3.662) 5.087 2.223 ( 10.142 -2.595 -2.892) 10.861 2.344 ( -1.664 -5.322 -6.081) 8.251 2.435 ( 2.637 -3.479 -5.602) 7.102 2.575 ( 5.263 -0.380 -3.156) 6.148 2.890 ( -3.252 -2.359 -5.309) 6.657 3.111 ( 7.997 0.778 1.072) 8.106 3.418 ( -7.599 -4.976 -0.847) 9.123 3.711 ( -0.060 1.227 -1.149) 1.682 3.917 ( 0.926 -1.687 -0.176) 1.932 4.042 ( -4.344 0.381 -5.433) 6.967 4.283 ( 0.926 2.127 -3.999) 4.623 4.378 ( 13.412 -14.306 -11.315) 22.640 4.843 ( 6.937 -13.363 -12.242) 19.405 5.335 ( -4.803 4.416 2.766) 7.087 5.519 ( 0.362 -4.883 0.701) 4.946 6.394 ( 2.860 5.065 9.817) 11.411 6.629 ( 9.851 -3.876 8.049) 13.299 7.063 ( 3.177 14.675 0.725) 15.033 7.488 ( -6.145 2.229 2.361) 6.950 7.614 ( -5.792 0.987 0.044) 5.875 7.783 ( -7.703 -5.506 1.837) 9.645 8.904 ( -5.140 11.287 11.497) 16.912 9.374 ( 1.817 0.014 2.308) 2.937 11.351 ( 12.066 -3.292 -3.623) 13.021 11.604 ( -23.019 -7.896 -8.912) 25.916 12.794 ( 11.424 3.848 -3.032) 12.430 12.886 ( -8.445 -1.383 -4.438) 9.639======================= Grid point 136 (70/116) =======================q-point: ( 0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( 3.556 7.159 4.679) 9.262 0.683 ( 4.438 6.568 -0.244) 7.931 0.894 ( 5.297 0.725 -1.297) 5.502 0.956 ( 9.291 1.339 2.704) 9.768 1.229 ( 3.451 -1.312 4.285) 5.656 1.269 ( -0.909 0.123 -0.304) 0.966 1.384 ( -1.256 4.585 5.653) 7.386 1.473 ( 6.252 -0.671 2.708) 6.846 1.678 ( -1.097 1.128 -0.981) 1.854 1.759 ( 1.596 3.235 -2.150) 4.199 1.779 ( 0.966 1.425 2.268) 2.847 1.820 ( -1.796 0.705 4.827) 5.198 1.956 ( 2.086 6.810 6.364) 9.551 1.991 ( 1.459 1.623 -3.637) 4.242 2.034 ( -3.633 -0.904 0.614) 3.794 2.182 ( -3.596 -6.076 -9.044) 11.473 2.383 ( 6.062 0.010 -0.826) 6.118 2.494 ( 4.600 -1.569 -0.574) 4.894 2.564 ( -0.119 -1.794 -5.141) 5.447 2.781 ( -0.327 1.847 -9.307) 9.494 3.246 ( -1.015 -5.813 0.491) 5.922 3.313 ( 1.524 -1.376 2.376) 3.140 3.706 ( -0.181 -1.115 -0.971) 1.490 3.882 ( -6.348 2.612 -4.367) 8.136 3.924 ( -0.991 -1.101 -0.344) 1.521 4.207 ( -5.189 2.487 0.914) 5.827 4.527 ( 15.636 -11.716 -12.905) 23.415 4.837 ( 6.113 -15.075 -15.136) 22.220 5.269 ( -4.825 5.567 3.684) 8.237 5.551 ( 1.500 -5.138 0.306) 5.361 6.530 ( 2.234 7.176 8.787) 11.563 6.792 ( 3.017 -6.053 0.097) 6.764 7.167 ( 6.630 7.964 1.717) 10.504 7.421 ( 2.264 -1.931 -8.978) 9.459 7.596 ( 0.188 5.208 11.410) 12.544 7.787 ( 2.786 0.490 6.001) 6.634 8.973 ( -0.936 16.418 13.244) 21.115 9.398 ( 1.709 4.407 -2.351) 5.279 11.010 ( -35.017 -4.109 -8.058) 36.167 11.354 ( -10.072 -15.779 2.099) 18.836 12.861 ( 10.200 2.282 -4.781) 11.493 13.020 ( 15.246 -1.126 -1.297) 15.342======================= Grid point 137 (71/116) =======================q-point: ( 0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( 2.998 3.044 0.545) 4.307 0.796 ( 2.527 3.215 2.562) 4.826 1.014 ( 10.350 1.950 -0.329) 10.537 1.161 ( -1.941 7.464 4.158) 8.761 1.182 ( 11.531 3.985 -3.147) 12.599 1.367 ( 1.326 -0.183 1.377) 1.920 1.423 ( 0.984 1.509 2.571) 3.139 1.439 ( -3.805 1.068 -8.323) 9.214 1.605 ( -7.491 3.032 -2.719) 8.527 1.753 ( -2.163 1.761 -1.317) 3.085 1.809 ( -2.906 0.071 -12.198) 12.539 1.830 ( 1.574 -1.379 0.056) 2.094 1.879 ( 4.161 -4.009 2.199) 6.183 1.972 ( -0.799 -2.602 1.897) 3.318 2.083 ( -2.324 -1.005 -1.451) 2.918 2.228 ( 9.815 3.434 7.813) 13.006 2.325 ( -1.343 1.030 -10.381) 10.518 2.522 ( 1.942 -2.476 -6.493) 7.215 2.607 ( 2.925 1.464 4.024) 5.186 2.726 ( 1.597 4.166 -4.134) 6.082 3.189 ( 0.158 -3.206 -1.946) 3.753 3.374 ( -2.501 -3.028 2.400) 4.603 3.669 ( -2.420 -2.949 -2.392) 4.503 3.784 ( -1.400 3.846 -1.123) 4.244 3.879 ( -2.524 -4.850 -2.636) 6.069 4.200 ( -1.201 3.301 9.367) 10.004 4.634 ( 11.192 -9.409 -13.891) 20.168 4.751 ( 0.709 -12.996 -14.483) 19.472 5.265 ( 1.338 2.523 0.761) 2.956 5.569 ( 0.540 -5.769 1.047) 5.888 6.611 ( 0.715 5.042 2.302) 5.589 6.756 ( -0.601 -1.635 -8.286) 8.468 7.191 ( -0.735 8.705 -7.735) 11.668 7.484 ( 6.510 4.046 4.537) 8.908 7.789 ( 6.376 -3.214 12.829) 14.682 7.940 ( 6.830 0.200 6.344) 9.324 9.078 ( -0.265 17.696 8.275) 19.536 9.445 ( 6.398 4.650 2.267) 8.228 10.365 ( -33.110 -0.440 -3.509) 33.298 11.160 ( -14.306 -18.861 5.871) 24.390 13.045 ( 14.124 2.768 -3.263) 14.757 13.254 ( 11.722 -3.429 1.577) 12.315======================= Grid point 138 (72/116) =======================q-point: (-0.62 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 3.631 -0.854 -0.207) 3.735 0.811 ( -1.947 -0.351 1.586) 2.536 1.081 ( -2.032 4.365 -5.361) 7.206 1.172 ( -3.823 3.874 -4.177) 6.861 1.227 ( -0.517 1.920 -0.037) 1.988 1.353 ( 5.768 11.782 -6.108) 14.470 1.367 ( -5.015 0.991 -2.735) 5.798 1.438 ( -1.285 -0.911 -0.641) 1.701 1.507 ( 2.020 -1.777 -0.921) 2.844 1.592 ( -3.317 6.820 -11.515) 13.788 1.722 ( 0.650 1.114 -2.556) 2.863 1.844 ( -0.282 -6.489 -0.249) 6.500 1.913 ( -2.225 -0.639 -3.014) 3.800 1.963 ( 1.400 -0.043 -6.417) 6.568 2.069 ( -0.374 -1.350 4.275) 4.498 2.308 ( 8.529 -1.826 -4.436) 9.785 2.445 ( 7.045 -3.975 0.192) 8.091 2.466 ( 0.986 -1.493 -5.863) 6.130 2.673 ( -0.858 7.820 8.170) 11.342 2.749 ( 4.285 4.143 -2.168) 6.342 3.235 ( 6.882 -2.412 -1.719) 7.492 3.285 ( -7.515 -0.013 -0.186) 7.517 3.596 ( -3.473 -2.961 -1.528) 4.813 3.746 ( -2.746 -0.561 -0.860) 2.932 3.861 ( 3.191 -3.850 -2.376) 5.536 4.279 ( -2.029 0.907 9.933) 10.179 4.608 ( -0.147 -6.533 -10.396) 12.279 4.656 ( 6.215 -17.010 -17.675) 25.306 5.307 ( 3.099 3.172 -0.027) 4.434 5.614 ( 3.251 -5.306 2.283) 6.628 6.541 ( -3.942 0.054 -11.484) 12.142 6.688 ( 0.429 -0.932 -7.221) 7.294 7.104 ( -2.070 20.733 -1.708) 20.906 7.617 ( 1.130 3.467 7.721) 8.539 7.966 ( 1.355 -7.625 9.954) 12.612 8.081 ( 3.577 -1.846 3.461) 5.309 9.087 ( -3.188 14.974 1.365) 15.371 9.588 ( -0.884 -3.983 -2.740) 4.915 10.000 ( -5.484 10.085 15.893) 19.606 11.038 ( -7.066 -16.667 7.046) 19.426 13.244 ( 11.034 1.843 0.109) 11.188 13.417 ( 5.047 -3.795 2.154) 6.672======================= Grid point 139 (73/116) =======================q-point: (-0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( -2.729 -2.345 -0.775) 3.681 0.798 ( 0.510 -2.979 -2.090) 3.674 0.920 ( -7.780 4.609 -6.529) 11.153 0.991 ( -6.905 2.225 -5.853) 9.321 1.184 ( -9.764 5.254 -1.457) 11.183 1.230 ( -5.714 2.162 -7.632) 9.776 1.348 ( -0.554 0.037 -1.296) 1.410 1.401 ( 4.467 5.242 -6.620) 9.553 1.490 ( -0.082 4.054 -4.196) 5.835 1.583 ( 8.766 6.956 -5.857) 12.631 1.763 ( 1.504 -2.333 3.313) 4.322 1.835 ( -0.239 -1.573 -1.171) 1.975 1.877 ( 0.113 -1.660 -0.915) 1.899 1.919 ( 1.754 -0.892 -4.065) 4.516 2.123 ( 0.947 -2.804 3.924) 4.915 2.331 ( 1.544 -6.952 -9.452) 11.834 2.395 ( -5.065 4.043 -2.195) 6.842 2.544 ( 4.536 1.156 0.030) 4.681 2.734 ( 0.229 -0.864 1.223) 1.515 2.844 ( 6.910 3.250 2.354) 7.991 3.157 ( -6.504 1.502 -1.019) 6.752 3.371 ( 11.515 -0.733 -3.430) 12.037 3.552 ( -0.430 -0.947 0.843) 1.339 3.710 ( -0.951 -1.697 0.764) 2.090 3.895 ( 5.337 -4.979 -6.586) 9.831 4.278 ( -6.072 -0.849 5.320) 8.117 4.519 ( 1.971 -9.866 -14.302) 17.486 4.603 ( 4.483 -16.312 -9.419) 19.363 5.372 ( 3.461 6.410 2.173) 7.602 5.696 ( 3.375 -3.924 1.004) 5.272 6.324 ( -7.028 2.726 -12.684) 14.755 6.593 ( -0.599 -4.409 -11.968) 12.768 7.115 ( -2.525 22.470 10.867) 25.087 7.646 ( -4.282 3.876 4.257) 7.175 8.027 ( -3.571 -8.135 8.137) 12.048 8.123 ( -0.744 -4.578 2.144) 5.110 9.011 ( -7.838 13.382 2.495) 15.708 9.422 ( -4.462 -2.667 -6.356) 8.211 10.378 ( 18.471 7.209 21.883) 29.530 11.033 ( -0.480 -11.076 3.729) 11.697 13.407 ( 6.664 -1.115 1.945) 7.031 13.451 ( -2.878 -2.637 1.036) 4.039======================= Grid point 140 (74/116) =======================q-point: (-0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.674 ( -7.453 2.983 -1.827) 8.233 0.763 ( 0.518 -1.713 -3.234) 3.696 0.770 ( -4.607 0.104 1.214) 4.765 0.888 ( -1.616 -2.066 -1.071) 2.833 0.974 ( -8.756 5.829 -3.537) 11.098 1.110 ( -5.033 5.867 -0.138) 7.731 1.226 ( -3.890 -1.621 -7.787) 8.854 1.481 ( 1.356 -0.678 -1.641) 2.234 1.508 ( 8.381 5.783 -1.547) 10.299 1.679 ( 6.326 4.312 -3.864) 8.576 1.764 ( -6.098 0.067 -0.649) 6.133 1.811 ( 0.222 -2.344 2.536) 3.460 1.881 ( 2.128 -0.645 0.941) 2.415 1.934 ( -1.445 -1.288 -0.840) 2.110 2.130 ( -1.139 -1.757 -2.483) 3.248 2.276 ( 0.285 -0.662 -4.962) 5.014 2.286 ( -3.218 2.720 -0.033) 4.214 2.581 ( 2.669 1.309 -5.943) 6.645 2.694 ( -2.394 -2.546 -4.173) 5.443 2.936 ( -1.415 -6.740 4.643) 8.306 3.073 ( -0.297 5.467 -3.270) 6.377 3.515 ( 8.569 -1.641 -5.304) 10.211 3.621 ( 7.264 2.129 1.704) 7.759 3.728 ( 2.184 -0.489 -0.230) 2.250 3.930 ( 7.107 -8.399 -7.278) 13.192 4.225 ( -4.171 1.458 4.755) 6.491 4.404 ( 2.818 -14.971 -17.689) 23.345 4.641 ( 5.813 -12.313 -2.346) 13.817 5.444 ( 0.554 7.439 3.808) 8.375 5.704 ( -0.373 -0.942 -4.761) 4.868 6.131 ( -5.079 3.384 -4.138) 7.374 6.478 ( -0.223 -5.002 -10.243) 11.402 7.172 ( -6.408 17.905 14.784) 24.088 7.576 ( -5.564 5.912 1.572) 8.269 7.999 ( -6.955 -5.988 5.099) 10.499 8.127 ( -2.436 -8.140 4.442) 9.588 8.905 ( -8.206 10.458 6.637) 14.858 9.363 ( 1.462 -1.800 -4.017) 4.638 10.867 ( 15.629 2.099 11.391) 19.453 11.088 ( 9.330 -2.155 -0.088) 9.576 13.333 ( -10.774 -0.311 -0.972) 10.823 13.491 ( 0.645 -5.278 0.899) 5.393======================= Grid point 141 (75/116) =======================q-point: (-0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( -3.695 3.718 7.711) 9.324 0.652 ( -4.963 1.620 0.812) 5.284 0.811 ( -3.397 1.963 0.044) 3.923 0.846 ( 1.804 -0.405 5.922) 6.204 0.959 ( -0.229 2.678 7.358) 7.833 1.066 ( 1.245 2.355 2.369) 3.565 1.110 ( -5.075 -2.019 -2.252) 5.908 1.437 ( -4.373 -6.226 -4.927) 9.065 1.601 ( 1.304 3.356 -2.078) 4.157 1.652 ( -2.194 5.844 5.108) 8.066 1.740 ( 3.215 2.260 -2.507) 4.661 1.826 ( -5.259 2.668 1.551) 6.098 1.853 ( 1.032 0.191 -1.552) 1.873 1.963 ( 2.769 -3.730 4.020) 6.144 2.088 ( 1.942 -1.140 -5.442) 5.890 2.243 ( -2.382 5.285 1.416) 5.968 2.313 ( 6.824 -1.812 -3.702) 7.972 2.492 ( -2.679 1.821 -10.784) 11.260 2.628 ( 0.429 -2.813 -7.114) 7.662 2.921 ( -3.181 -8.690 3.985) 10.076 3.065 ( 2.182 5.874 -4.099) 7.488 3.554 ( 1.325 -4.868 -3.102) 5.922 3.759 ( 5.715 -0.304 -1.369) 5.884 3.770 ( 4.815 0.048 -1.412) 5.018 3.995 ( 7.511 -5.973 -5.079) 10.858 4.234 ( 1.685 0.059 -2.938) 3.388 4.318 ( 4.017 -11.222 -9.564) 15.282 4.742 ( 8.018 -10.974 -2.154) 13.760 5.420 ( -4.978 5.527 0.420) 7.450 5.644 ( -1.756 -3.343 -3.836) 5.383 6.100 ( 1.293 4.374 4.947) 6.729 6.411 ( 0.990 -1.676 -5.374) 5.716 7.138 ( -9.877 15.323 8.408) 20.076 7.541 ( -3.709 7.475 7.795) 11.419 7.894 ( -9.007 -3.700 1.132) 9.802 8.095 ( -6.506 -9.681 3.453) 12.164 8.893 ( -3.350 3.890 11.042) 12.177 9.342 ( -2.782 -4.856 0.339) 5.607 10.986 ( 7.978 8.807 -9.485) 15.205 11.466 ( 23.772 -2.507 4.239) 24.277 13.082 ( -16.294 3.118 -2.805) 16.825 13.421 ( -8.635 -7.917 -2.371) 11.952======================= Grid point 142 (76/116) =======================q-point: (-0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( -3.948 3.648 3.295) 6.305 0.666 ( -4.715 7.554 9.236) 12.830 0.849 ( 3.679 -3.633 1.014) 5.269 0.895 ( -9.903 2.349 4.228) 11.021 0.931 ( 0.065 2.691 8.168) 8.600 1.099 ( 3.289 -1.761 7.177) 8.088 1.198 ( 4.466 -1.668 5.908) 7.592 1.330 ( 0.210 -3.608 -1.750) 4.016 1.588 ( -3.212 11.522 8.392) 14.612 1.685 ( -2.680 5.022 2.303) 6.141 1.763 ( 0.025 2.264 1.028) 2.487 1.799 ( 1.544 -4.682 3.412) 5.996 1.888 ( 5.120 1.772 -2.934) 6.161 1.987 ( -4.014 1.750 0.235) 4.385 2.104 ( 6.756 -1.591 -4.984) 8.545 2.220 ( -2.174 1.427 -2.618) 3.690 2.341 ( 4.058 1.178 -7.342) 8.471 2.465 ( 7.037 -1.897 -1.495) 7.440 2.542 ( -0.722 -2.948 -10.363) 10.798 2.927 ( -1.151 -8.782 4.316) 9.853 3.053 ( 2.764 7.006 -6.781) 10.135 3.520 ( -3.392 -6.555 -0.628) 7.407 3.747 ( -2.274 -0.349 -1.434) 2.711 3.871 ( 5.618 -0.432 -1.067) 5.735 4.083 ( 6.284 -3.651 -5.373) 9.038 4.224 ( 8.145 -7.021 -10.798) 15.239 4.340 ( 2.898 -3.599 -3.307) 5.682 4.831 ( 6.262 -10.361 -6.574) 13.776 5.359 ( -1.481 3.091 0.136) 3.430 5.562 ( -4.864 -6.225 -0.351) 7.908 6.244 ( 5.378 3.077 9.476) 11.322 6.431 ( 5.032 2.820 1.869) 6.064 7.056 ( -4.728 15.510 3.387) 16.564 7.552 ( -6.960 6.618 10.857) 14.496 7.733 ( -7.829 -1.338 -2.872) 8.446 7.963 ( -11.339 -11.376 0.586) 16.072 8.923 ( -6.137 3.236 8.926) 11.305 9.316 ( -1.827 -4.824 6.461) 8.268 11.117 ( 18.534 10.912 -9.434) 23.486 11.791 ( 10.186 -8.835 -4.159) 14.110 12.797 ( -10.175 7.242 -3.513) 12.973 13.167 ( -16.432 -6.327 -4.259) 18.116======================= Grid point 143 (77/116) =======================q-point: ( 0.00 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( 2.219 6.943 1.188) 7.385 0.784 ( 1.974 -2.584 2.678) 4.213 0.818 ( 0.026 3.015 0.162) 3.020 0.852 ( 0.590 -1.411 2.821) 3.209 0.999 ( 2.808 2.013 6.424) 7.294 1.111 ( 2.035 -8.211 5.915) 10.323 1.430 ( 6.239 4.579 7.608) 10.852 1.447 ( 6.789 3.867 4.708) 9.121 1.662 ( -2.081 1.973 3.892) 4.835 1.759 ( -0.413 -6.100 4.765) 7.751 1.813 ( -2.128 3.865 2.152) 4.909 1.868 ( -2.219 2.006 1.336) 3.276 1.979 ( 2.196 1.627 0.296) 2.749 1.992 ( -0.474 -0.284 5.506) 5.533 2.147 ( -1.769 5.545 -9.247) 10.926 2.217 ( 4.078 2.802 -3.239) 5.914 2.278 ( -1.627 -2.888 -5.865) 6.737 2.354 ( 5.214 -5.272 0.899) 7.469 2.601 ( 2.590 3.652 -2.421) 5.090 2.735 ( -1.852 -10.318 2.244) 10.720 3.219 ( 4.443 7.945 -4.722) 10.255 3.342 ( -1.208 -4.542 -2.667) 5.404 3.752 ( 2.238 4.358 -6.763) 8.351 3.864 ( 0.993 -5.386 -2.862) 6.180 4.060 ( 3.544 1.807 -8.775) 9.634 4.143 ( 11.960 -8.628 -13.242) 19.820 4.381 ( 0.566 8.548 -4.759) 9.799 4.590 ( 3.866 -13.141 -9.584) 16.718 5.405 ( -3.213 2.925 3.540) 5.604 5.453 ( -1.714 -2.592 3.518) 4.694 6.476 ( 5.156 3.908 9.502) 11.496 6.549 ( 6.525 -4.104 7.413) 10.694 7.310 ( -1.860 10.412 -4.124) 11.352 7.462 ( -6.197 -5.925 -8.518) 12.086 7.635 ( -3.831 4.757 10.225) 11.911 7.728 ( -3.545 -3.545 7.003) 8.613 9.126 ( 1.105 11.638 10.796) 15.912 9.307 ( 3.426 -7.082 8.024) 11.238 11.347 ( -3.273 3.004 -7.757) 8.939 11.452 ( -15.408 -7.651 -9.249) 19.532 12.842 ( 4.570 1.571 -3.872) 6.192 12.864 ( -1.953 -1.018 -4.174) 4.719======================= Grid point 144 (78/116) =======================q-point: ( 0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 1.636 5.774 2.531) 6.513 0.805 ( 1.625 3.691 -0.715) 4.096 0.889 ( 8.186 0.721 -1.393) 8.335 0.952 ( 11.806 -2.503 -0.260) 12.071 1.168 ( 8.301 -0.855 5.700) 10.106 1.219 ( 3.762 -5.200 5.070) 8.179 1.518 ( -6.578 10.260 7.805) 14.473 1.588 ( 7.740 7.390 0.434) 10.710 1.682 ( 2.304 -2.894 3.971) 5.427 1.718 ( -6.705 -4.870 -0.453) 8.300 1.795 ( -2.034 0.693 0.925) 2.339 1.853 ( -1.071 -1.399 1.764) 2.493 1.945 ( -6.209 -1.567 -5.714) 8.582 1.955 ( -1.662 -1.095 -5.297) 5.659 2.109 ( 3.373 3.181 2.162) 5.116 2.138 ( 0.442 -0.840 -6.890) 6.955 2.413 ( 6.846 3.497 3.945) 8.641 2.465 ( 5.234 -1.678 0.143) 5.498 2.578 ( -0.958 4.164 -2.456) 4.928 2.716 ( -1.213 -8.218 1.517) 8.444 3.228 ( 0.329 3.585 -4.714) 5.931 3.298 ( -0.098 -2.111 -1.513) 2.599 3.735 ( 2.027 5.046 -5.978) 8.082 3.851 ( -0.243 -5.290 -3.044) 6.108 3.979 ( -2.079 6.413 -7.332) 9.960 4.152 ( 2.186 -10.635 -7.337) 13.104 4.416 ( 10.673 4.850 -10.032) 15.430 4.590 ( 6.508 -11.768 -10.671) 17.167 5.369 ( -4.507 4.988 3.758) 7.702 5.458 ( -1.823 -4.751 3.069) 5.943 6.635 ( 2.925 4.278 7.367) 9.007 6.705 ( 3.326 -3.731 4.768) 6.908 7.275 ( 3.838 4.255 -5.067) 7.649 7.351 ( 3.588 -4.212 -7.121) 9.018 7.716 ( 1.377 6.092 10.225) 11.982 7.790 ( 2.121 -1.463 8.113) 8.512 9.261 ( 2.990 13.007 9.553) 16.413 9.417 ( 3.000 -3.288 3.165) 5.462 10.974 ( -29.551 1.387 -6.284) 30.243 11.090 ( -19.455 -11.069 -1.570) 22.439 12.916 ( 11.212 3.427 -3.410) 12.210 12.979 ( 12.916 -3.054 -2.575) 13.520======================= Grid point 145 (79/116) =======================q-point: ( 0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.757 ( -0.397 3.910 -0.687) 3.989 0.814 ( -1.215 -1.582 0.426) 2.040 1.078 ( 12.338 5.066 -0.685) 13.355 1.173 ( 12.596 -3.940 -1.579) 13.292 1.292 ( 2.890 4.641 1.494) 5.668 1.344 ( 6.556 -2.121 1.683) 7.093 1.427 ( -7.680 5.037 1.497) 9.305 1.551 ( -8.823 -2.341 -2.219) 9.394 1.643 ( -5.061 5.427 -5.499) 9.237 1.727 ( -0.219 0.971 1.975) 2.212 1.772 ( -3.900 -5.235 -7.777) 10.154 1.786 ( -0.547 -3.390 2.476) 4.233 1.883 ( 4.708 3.770 -0.556) 6.057 1.938 ( 2.623 -1.941 1.054) 3.429 2.114 ( 1.343 3.724 -3.401) 5.220 2.206 ( 5.805 -4.913 -0.382) 7.615 2.380 ( -1.523 4.202 -10.171) 11.110 2.460 ( 0.004 -4.005 -8.142) 9.074 2.682 ( 4.523 5.865 10.288) 12.677 2.762 ( 1.582 -1.336 5.634) 6.003 3.179 ( 0.775 3.117 -4.523) 5.548 3.288 ( -1.031 -6.615 -0.712) 6.733 3.674 ( -3.513 4.068 -4.507) 7.014 3.776 ( -4.371 -5.820 -3.982) 8.297 3.927 ( 4.123 11.051 -6.677) 13.554 4.160 ( 3.770 -10.455 -1.586) 11.227 4.477 ( 7.999 -0.447 -13.243) 15.478 4.573 ( 2.529 -7.894 -10.421) 13.316 5.349 ( -0.959 5.627 3.059) 6.476 5.459 ( -0.748 -5.958 3.143) 6.778 6.671 ( -0.882 2.707 -3.176) 4.265 6.722 ( -0.474 -2.430 -4.446) 5.088 7.337 ( 5.511 6.891 0.014) 8.824 7.453 ( 8.156 -5.412 2.884) 10.204 7.841 ( 2.428 5.898 8.638) 10.738 7.925 ( 4.313 -2.477 6.927) 8.527 9.360 ( 1.056 11.382 1.274) 11.502 9.483 ( 3.490 -1.741 0.918) 4.007 10.459 ( -26.369 11.681 3.048) 29.001 10.778 ( -17.859 -20.648 7.125) 28.214 13.107 ( 12.818 3.828 -1.560) 13.468 13.183 ( 11.770 -4.081 -0.039) 12.457======================= Grid point 146 (80/116) =======================q-point: (-0.62 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( 0.340 0.826 -1.015) 1.352 0.781 ( -2.263 -2.141 -0.685) 3.190 1.175 ( -2.453 4.790 -5.112) 7.422 1.234 ( -4.288 -0.898 -6.022) 7.447 1.261 ( -2.024 5.069 1.396) 5.634 1.352 ( -6.004 -3.090 -1.653) 6.952 1.421 ( 0.042 -0.469 -0.636) 0.791 1.439 ( 1.347 -2.679 -1.719) 3.456 1.563 ( 6.478 7.934 -5.801) 11.771 1.650 ( -0.020 -0.894 -6.070) 6.135 1.746 ( 1.640 0.149 -0.136) 1.653 1.769 ( -1.266 -1.588 -0.959) 2.246 1.960 ( -0.105 3.950 -1.530) 4.238 1.978 ( 3.226 1.202 -0.986) 3.581 2.070 ( -2.162 3.427 -5.143) 6.547 2.218 ( 1.915 -8.629 -8.741) 12.431 2.391 ( 7.187 0.138 -1.028) 7.261 2.426 ( 4.816 -2.607 -3.107) 6.296 2.800 ( -2.458 5.316 7.033) 9.152 2.829 ( 1.849 2.641 4.472) 5.513 3.201 ( 5.796 -0.076 -2.522) 6.322 3.252 ( -0.270 -4.094 -2.911) 5.031 3.570 ( -4.367 2.402 -1.604) 5.235 3.669 ( -3.741 -6.651 -2.755) 8.113 3.952 ( 5.949 12.189 -8.587) 16.053 4.218 ( 4.007 -12.324 -1.763) 13.078 4.427 ( 1.376 -1.890 -13.320) 13.524 4.490 ( -1.030 -5.722 -9.043) 10.751 5.399 ( 3.159 5.891 3.217) 7.419 5.510 ( 2.884 -5.825 4.015) 7.640 6.570 ( -3.020 2.966 -10.239) 11.079 6.637 ( -1.541 -3.713 -9.738) 10.535 7.424 ( 1.673 12.930 4.559) 13.812 7.599 ( 2.700 -5.902 6.856) 9.441 7.929 ( -0.865 3.495 6.597) 7.515 8.020 ( 0.430 -4.654 3.936) 6.110 9.325 ( -2.173 10.324 -4.401) 11.432 9.483 ( -3.042 -6.991 -5.507) 9.405 10.284 ( -3.982 19.413 17.968) 26.750 10.676 ( -5.501 -21.293 13.204) 25.651 13.287 ( 8.662 2.740 0.468) 9.097 13.347 ( 6.457 -3.601 1.262) 7.500======================= Grid point 147 (81/116) =======================q-point: (-0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.727 ( -1.972 -0.331 -0.497) 2.060 0.746 ( -1.008 -2.190 -0.901) 2.574 0.991 ( -8.623 2.710 -7.387) 11.673 1.016 ( -9.263 0.181 -7.652) 12.016 1.267 ( -3.840 3.622 2.973) 6.058 1.280 ( -6.015 2.689 -4.837) 8.174 1.334 ( -4.363 -0.924 -2.680) 5.203 1.371 ( 0.855 -4.135 -4.359) 6.068 1.632 ( 3.717 5.505 -5.717) 8.764 1.684 ( 5.360 0.212 -2.492) 5.914 1.747 ( -0.075 2.869 0.202) 2.877 1.813 ( 3.432 -3.848 1.380) 5.338 1.889 ( 0.933 8.648 -7.543) 11.514 1.978 ( 0.310 5.733 -2.892) 6.429 2.052 ( 1.613 -5.493 -1.008) 5.813 2.145 ( 0.776 -11.738 -9.229) 14.951 2.471 ( 2.579 3.710 -1.130) 4.657 2.527 ( 6.270 -2.312 -0.378) 6.693 2.770 ( -5.872 4.434 3.487) 8.143 2.855 ( -4.241 -2.999 4.104) 6.620 3.225 ( 1.448 5.920 -2.890) 6.745 3.332 ( 9.924 -4.174 -3.496) 11.319 3.534 ( 1.166 1.585 1.709) 2.606 3.631 ( 2.179 -7.224 -0.576) 7.568 3.939 ( 4.812 10.783 -14.336) 18.573 4.218 ( 2.691 -16.581 -12.787) 21.111 4.326 ( -1.365 2.810 -5.084) 5.967 4.418 ( 0.954 -6.124 -3.527) 7.132 5.497 ( 3.690 6.544 4.268) 8.640 5.608 ( 3.220 -5.348 4.206) 7.527 6.398 ( -5.075 5.000 -11.154) 13.235 6.499 ( -2.811 -5.508 -11.266) 12.851 7.473 ( -2.719 14.936 8.055) 17.186 7.656 ( -3.243 -4.336 6.540) 8.491 7.940 ( -3.787 0.299 5.376) 6.582 8.018 ( -3.636 -6.174 2.790) 7.689 9.229 ( -5.002 9.419 -3.101) 11.106 9.358 ( -2.980 -4.700 -5.649) 7.930 10.555 ( 11.846 11.690 18.728) 25.054 10.797 ( 4.585 -13.566 11.707) 18.497 13.395 ( 2.920 -0.031 1.243) 3.173 13.409 ( -0.412 -1.588 1.027) 1.936======================= Grid point 148 (82/116) =======================q-point: (-0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( -2.991 0.714 0.764) 3.169 0.723 ( -1.926 -1.881 0.326) 2.712 0.809 ( -4.699 2.587 -2.333) 5.849 0.849 ( -3.142 -1.970 -2.472) 4.457 1.079 ( -7.992 4.924 -5.308) 10.784 1.152 ( -6.949 -2.444 -4.795) 8.789 1.279 ( -2.411 7.211 1.691) 7.790 1.404 ( -0.778 -5.548 0.430) 5.619 1.618 ( 1.898 3.893 -3.184) 5.376 1.686 ( -1.524 -3.717 -0.415) 4.038 1.782 ( 3.052 4.435 -1.589) 5.613 1.819 ( -1.468 0.295 1.831) 2.365 1.890 ( 1.824 1.604 -3.755) 4.472 1.949 ( -1.312 0.526 -3.300) 3.590 2.065 ( 4.623 -2.664 -6.149) 8.141 2.135 ( 6.567 -6.308 -6.020) 10.916 2.477 ( -2.455 9.977 3.444) 10.836 2.587 ( 3.619 -1.541 -4.364) 5.875 2.683 ( -5.203 1.516 -1.788) 5.707 2.783 ( -7.577 -8.639 4.255) 12.253 3.215 ( 0.334 9.349 -2.641) 9.721 3.400 ( 0.966 -9.532 -1.550) 9.705 3.660 ( 11.435 3.400 -0.738) 11.952 3.742 ( 9.450 -3.949 0.123) 10.242 3.867 ( 5.341 7.425 -17.241) 19.516 4.106 ( 3.379 -15.842 -18.965) 24.942 4.311 ( 0.829 6.433 1.897) 6.758 4.450 ( 4.393 -8.540 -0.712) 9.630 5.568 ( -0.748 5.644 3.449) 6.656 5.655 ( -1.581 -3.752 1.093) 4.216 6.233 ( -3.410 6.807 -6.103) 9.758 6.365 ( -1.462 -6.881 -7.862) 10.550 7.481 ( -6.479 13.618 9.998) 18.094 7.629 ( -5.666 -1.527 5.833) 8.274 7.912 ( -5.351 -1.669 4.755) 7.350 7.975 ( -4.609 -7.161 3.543) 9.224 9.115 ( -6.287 10.893 0.011) 12.578 9.284 ( -2.092 -6.801 -3.065) 7.747 10.929 ( 13.940 4.416 9.338) 17.350 11.020 ( 13.338 -4.792 6.269) 15.497 13.346 ( -7.374 1.863 -0.276) 7.610 13.402 ( -3.424 -4.031 0.402) 5.304======================= Grid point 149 (83/116) =======================q-point: (-0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( -2.873 2.056 1.684) 3.914 0.683 ( -0.207 -0.992 2.088) 2.321 0.830 ( -2.276 2.499 4.125) 5.333 0.860 ( 0.456 0.024 7.829) 7.842 0.993 ( 1.365 1.220 3.556) 4.000 1.034 ( -4.081 -3.200 0.164) 5.189 1.199 ( -6.538 7.694 -0.327) 10.102 1.327 ( -5.177 -5.850 -2.741) 8.279 1.641 ( 1.353 1.723 -0.072) 2.192 1.673 ( -1.694 -1.171 3.252) 3.849 1.803 ( -0.488 2.470 1.099) 2.747 1.842 ( 4.705 -1.432 0.147) 4.921 1.891 ( -0.638 0.069 0.011) 0.642 1.899 ( 0.394 -1.090 -1.438) 1.847 2.088 ( 4.234 4.532 -5.469) 8.269 2.204 ( 7.215 -5.388 -5.900) 10.766 2.463 ( -4.755 12.033 5.871) 14.208 2.547 ( -3.009 3.070 -9.252) 10.202 2.583 ( 0.966 -1.918 -7.497) 7.798 2.722 ( -3.866 -12.361 4.422) 13.686 3.198 ( 1.017 8.469 -2.960) 9.029 3.380 ( -1.120 -10.781 -0.763) 10.866 3.805 ( 3.542 5.531 -6.375) 9.153 3.828 ( 9.269 4.613 -5.579) 11.761 3.905 ( 11.493 -3.959 -7.480) 14.273 4.015 ( 7.124 -13.213 -18.510) 23.832 4.374 ( 3.400 7.492 2.283) 8.539 4.539 ( 6.539 -10.135 -0.978) 12.101 5.513 ( -6.239 4.319 -0.382) 7.598 5.582 ( -5.944 -3.262 -0.967) 6.849 6.206 ( 2.144 6.577 2.170) 7.250 6.330 ( 2.159 -6.119 -1.318) 6.621 7.437 ( -7.960 14.428 7.594) 18.144 7.606 ( -4.972 -1.985 8.595) 10.126 7.835 ( -7.847 -0.636 1.927) 8.105 7.917 ( -7.040 -8.214 3.561) 11.389 9.037 ( -4.821 9.767 4.541) 11.801 9.214 ( -4.672 -8.567 1.231) 9.835 11.165 ( 13.543 10.268 -3.415) 17.336 11.352 ( 18.550 -9.001 0.938) 20.640 13.164 ( -12.547 5.525 -1.999) 13.855 13.281 ( -10.193 -6.968 -1.689) 12.461======================= Grid point 150 (84/116) =======================q-point: (-0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( 0.429 5.410 2.056) 5.804 0.753 ( 4.111 -5.367 1.537) 6.933 0.786 ( -5.914 4.946 8.726) 11.644 0.881 ( -8.341 -4.589 6.044) 11.276 0.987 ( -3.155 4.514 2.211) 5.934 1.062 ( -0.462 -2.843 3.383) 4.443 1.230 ( 6.531 4.201 7.754) 10.974 1.294 ( 4.680 -1.856 2.985) 5.852 1.651 ( -1.000 0.992 2.665) 3.014 1.700 ( 0.777 -4.290 4.714) 6.421 1.820 ( -0.746 3.950 2.349) 4.656 1.877 ( -0.518 5.689 2.010) 6.056 1.919 ( 3.155 0.242 -0.734) 3.249 1.939 ( 1.585 -2.889 4.744) 5.776 2.118 ( 5.025 5.023 -3.799) 8.057 2.256 ( 4.083 -4.114 -4.405) 7.280 2.358 ( -5.636 3.929 -5.833) 9.013 2.423 ( -2.653 -1.500 -9.496) 9.973 2.562 ( 3.192 4.692 -2.689) 6.279 2.726 ( -1.188 -11.713 4.268) 12.523 3.197 ( 3.059 8.570 -4.488) 10.146 3.364 ( 0.167 -8.925 -1.161) 9.002 3.785 ( 1.876 4.362 -7.018) 8.473 3.878 ( 1.104 -1.994 -2.816) 3.623 4.008 ( 11.890 -3.133 -11.680) 16.959 4.045 ( 13.312 -5.929 -13.625) 19.951 4.419 ( 0.316 7.995 -1.151) 8.084 4.608 ( 4.012 -11.952 -5.376) 13.705 5.424 ( -3.261 3.446 0.902) 4.829 5.484 ( -5.167 -3.120 1.805) 6.300 6.314 ( 4.767 4.412 6.915) 9.487 6.399 ( 4.645 -4.180 3.637) 7.230 7.374 ( -5.332 15.764 3.314) 16.968 7.604 ( -5.022 -6.898 6.614) 10.796 7.685 ( -9.940 3.206 0.251) 10.447 7.798 ( -9.444 -6.949 2.989) 12.100 9.043 ( -1.971 8.310 8.483) 12.038 9.198 ( -0.817 -7.664 7.585) 10.813 11.333 ( 12.124 12.557 -8.685) 19.496 11.578 ( 8.895 -13.090 -6.496) 17.108 12.929 ( -10.165 6.731 -3.489) 12.681 13.050 ( -13.013 -6.307 -3.537) 14.887======================= Grid point 175 (85/116) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -2.515 0.000 6.218) 6.708 0.645 ( 1.280 0.000 -0.483) 1.368 0.805 ( 6.056 0.000 3.003) 6.759 0.874 ( -8.755 0.000 -0.557) 8.773 1.318 ( -5.777 0.000 10.478) 11.965 1.324 ( -0.265 0.000 7.297) 7.302 1.444 ( -5.535 0.000 -3.947) 6.798 1.467 ( 10.752 0.000 -4.628) 11.705 1.584 ( -1.117 0.000 -0.608) 1.272 1.599 ( 3.688 0.000 -1.545) 3.998 1.723 ( 8.236 0.000 1.036) 8.300 1.794 ( -1.091 0.000 -2.430) 2.664 1.833 ( -4.807 0.000 -0.733) 4.863 1.851 ( -1.572 0.000 -6.894) 7.070 1.877 ( 4.834 0.000 20.671) 21.229 2.304 ( 6.177 0.000 -1.490) 6.354 2.361 ( -0.436 0.000 -13.296) 13.304 2.419 ( -0.506 0.000 -4.052) 4.083 2.593 ( -2.421 0.000 -0.780) 2.543 2.598 ( 2.925 0.000 -0.984) 3.086 3.394 ( 8.685 0.000 5.931) 10.517 3.477 ( -6.758 0.000 -1.489) 6.920 3.842 ( 6.030 0.000 4.510) 7.530 3.941 ( -9.199 0.000 -5.012) 10.476 4.201 ( -8.135 0.000 5.332) 9.727 4.228 ( -0.892 0.000 1.769) 1.981 4.646 ( -2.496 0.000 5.771) 6.288 4.963 ( 14.079 0.000 -19.259) 23.856 5.241 ( -10.352 0.000 2.355) 10.616 5.352 ( 7.915 0.000 -5.739) 9.777 6.557 ( -4.567 0.000 12.985) 13.765 6.746 ( 12.355 0.000 4.178) 13.042 6.946 ( 10.946 0.000 2.420) 11.211 7.195 ( -12.301 0.000 -12.547) 17.571 7.692 ( 4.239 0.000 13.791) 14.428 7.936 ( -12.606 0.000 -9.596) 15.843 8.878 ( -10.099 0.000 9.853) 14.109 9.079 ( 4.873 0.000 -8.758) 10.022 11.543 ( 28.958 0.000 2.131) 29.037 11.622 ( -28.452 0.000 -5.448) 28.969 12.724 ( 17.873 0.000 4.575) 18.449 12.823 ( -17.043 0.000 -4.848) 17.719======================= Grid point 176 (86/116) =======================q-point: ( 0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 3.166 0.000 5.272) 6.150 0.677 ( 4.503 0.000 -3.288) 5.576 0.790 ( 0.574 0.000 -1.987) 2.068 0.997 ( 8.933 0.000 7.132) 11.431 1.182 ( -10.814 0.000 6.248) 12.489 1.343 ( -1.798 0.000 -0.320) 1.826 1.442 ( 1.581 0.000 -5.766) 5.979 1.527 ( -3.951 0.000 0.396) 3.971 1.533 ( -5.764 0.000 -4.759) 7.475 1.635 ( -2.884 0.000 -5.754) 6.436 1.697 ( 11.744 0.000 -2.912) 12.099 1.738 ( -3.916 0.000 1.575) 4.221 1.880 ( 3.916 0.000 1.414) 4.164 1.883 ( 6.748 0.000 0.744) 6.789 2.126 ( 0.815 0.000 -21.307) 21.323 2.168 ( 5.400 0.000 20.537) 21.235 2.312 ( -3.460 0.000 -9.743) 10.339 2.429 ( 1.132 0.000 -0.851) 1.416 2.544 ( -1.414 0.000 -1.226) 1.872 2.607 ( -0.807 0.000 -0.428) 0.913 3.323 ( -6.102 0.000 -3.430) 7.000 3.528 ( -0.486 0.000 0.389) 0.623 3.801 ( -0.604 0.000 -0.136) 0.619 3.968 ( -4.154 0.000 1.479) 4.409 4.160 ( 1.029 0.000 12.522) 12.564 4.185 ( -6.858 0.000 4.783) 8.361 4.660 ( -1.806 0.000 5.401) 5.695 4.952 ( 6.422 0.000 -18.436) 19.522 5.220 ( 3.136 0.000 1.644) 3.541 5.469 ( 10.961 0.000 -3.647) 11.552 6.524 ( -10.483 0.000 8.469) 13.477 6.757 ( 0.412 0.000 -13.926) 13.932 6.849 ( -12.220 0.000 -14.857) 19.237 7.262 ( 12.296 0.000 12.128) 17.271 7.810 ( 5.083 0.000 -4.416) 6.733 8.025 ( 15.548 0.000 15.919) 22.252 8.853 ( -6.744 0.000 12.332) 14.056 9.131 ( 10.085 0.000 -3.542) 10.689 10.999 ( -37.570 0.000 -4.584) 37.849 11.786 ( -4.996 0.000 3.431) 6.061 12.685 ( 9.092 0.000 -5.069) 10.410 13.101 ( 19.497 0.000 4.519) 20.014======================= Grid point 177 (87/116) =======================q-point: ( 0.25 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( 3.026 0.000 0.488) 3.065 0.732 ( 5.099 0.000 -2.222) 5.562 0.848 ( 5.077 0.000 -0.934) 5.163 1.112 ( -7.660 0.000 -10.720) 13.176 1.123 ( -4.521 0.000 6.971) 8.308 1.212 ( -0.516 0.000 3.133) 3.175 1.328 ( -5.286 0.000 -6.243) 8.180 1.430 ( 0.222 0.000 -5.531) 5.536 1.500 ( -2.236 0.000 -0.492) 2.290 1.515 ( -7.240 0.000 -2.782) 7.756 1.715 ( -0.234 0.000 2.027) 2.040 1.801 ( 2.818 0.000 -5.698) 6.357 1.928 ( -0.141 0.000 -3.294) 3.297 1.989 ( 7.368 0.000 0.399) 7.379 2.118 ( 15.184 0.000 -5.338) 16.095 2.195 ( 1.083 0.000 -7.348) 7.427 2.348 ( -5.125 0.000 -3.864) 6.418 2.426 ( 6.240 0.000 12.797) 14.238 2.528 ( 2.021 0.000 -6.508) 6.815 2.578 ( -3.659 0.000 3.594) 5.129 3.248 ( -0.288 0.000 -1.569) 1.595 3.434 ( -7.378 0.000 -0.229) 7.381 3.806 ( -12.198 0.000 1.648) 12.309 3.828 ( 0.122 0.000 -1.488) 1.493 4.131 ( -5.499 0.000 7.585) 9.369 4.336 ( 6.315 0.000 2.042) 6.637 4.695 ( -1.773 0.000 9.205) 9.374 4.905 ( 5.825 0.000 -12.498) 13.789 5.276 ( 3.429 0.000 -3.670) 5.023 5.627 ( 8.241 0.000 -0.367) 8.249 6.335 ( -9.079 0.000 -11.659) 14.777 6.612 ( -0.192 0.000 -14.998) 14.999 6.635 ( -6.588 0.000 7.043) 9.644 7.505 ( 5.534 0.000 6.273) 8.365 7.939 ( 12.093 0.000 -3.079) 12.478 8.346 ( 7.633 0.000 5.937) 9.670 8.858 ( -6.781 0.000 13.249) 14.884 9.417 ( 19.926 0.000 8.624) 21.712 10.354 ( -31.831 0.000 -2.766) 31.951 11.584 ( -16.352 0.000 1.053) 16.386 12.931 ( 18.983 0.000 -0.441) 18.988 13.415 ( 12.051 0.000 4.371) 12.819======================= Grid point 178 (88/116) =======================q-point: ( 0.38 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 3.970 0.000 -1.379) 4.203 0.768 ( -7.292 0.000 -12.640) 14.593 0.812 ( 0.159 0.000 -0.922) 0.935 0.872 ( -0.579 0.000 -1.541) 1.646 1.084 ( -4.127 0.000 -2.577) 4.866 1.179 ( -6.779 0.000 -3.702) 7.724 1.271 ( -2.456 0.000 -0.662) 2.544 1.320 ( -5.595 0.000 -7.311) 9.206 1.380 ( 0.537 0.000 -4.330) 4.363 1.433 ( -3.434 0.000 1.802) 3.878 1.787 ( 3.506 0.000 3.954) 5.285 1.829 ( 3.559 0.000 -1.211) 3.759 1.915 ( 2.379 0.000 1.158) 2.646 2.075 ( 1.877 0.000 -1.408) 2.346 2.169 ( 1.747 0.000 -6.967) 7.183 2.284 ( 4.574 0.000 -4.373) 6.329 2.368 ( 5.474 0.000 4.920) 7.360 2.488 ( -6.170 0.000 3.172) 6.937 2.507 ( 10.790 0.000 -9.471) 14.357 2.679 ( 6.679 0.000 9.208) 11.376 3.255 ( 1.998 0.000 -1.661) 2.598 3.301 ( -9.222 0.000 1.625) 9.364 3.643 ( -8.752 0.000 2.419) 9.080 3.770 ( -1.731 0.000 -5.359) 5.632 4.121 ( -4.435 0.000 6.783) 8.104 4.376 ( 3.374 0.000 -8.698) 9.329 4.756 ( -2.651 0.000 10.304) 10.639 4.919 ( 7.529 0.000 -9.720) 12.295 5.265 ( -0.825 0.000 -1.632) 1.829 5.632 ( -4.689 0.000 -7.087) 8.498 6.179 ( 2.166 0.000 -6.217) 6.584 6.494 ( 1.865 0.000 -13.709) 13.835 6.718 ( 0.923 0.000 19.793) 19.814 7.545 ( -1.924 0.000 -4.132) 4.558 8.112 ( 9.409 0.000 0.149) 9.410 8.411 ( -0.482 0.000 -1.802) 1.865 8.879 ( -5.601 0.000 14.748) 15.775 9.571 ( -10.067 0.000 -9.767) 14.026 10.219 ( 11.861 0.000 21.909) 24.914 11.328 ( -12.185 0.000 -4.295) 12.920 13.245 ( 16.189 0.000 2.694) 16.412 13.566 ( 1.812 0.000 2.673) 3.230======================= Grid point 179 (89/116) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( 0.918 0.000 -3.211) 3.339 0.692 ( -7.060 0.000 -8.098) 10.744 0.865 ( 1.534 0.000 3.109) 3.467 0.884 ( 1.488 0.000 4.963) 5.181 0.934 ( -3.881 0.000 -4.136) 5.671 1.108 ( -4.337 0.000 -13.157) 13.853 1.170 ( 5.317 0.000 0.795) 5.376 1.177 ( -5.495 0.000 -0.895) 5.568 1.420 ( -1.434 0.000 1.837) 2.330 1.460 ( 7.266 0.000 -1.505) 7.420 1.840 ( -0.363 0.000 2.043) 2.075 1.859 ( 0.441 0.000 0.212) 0.489 2.009 ( 0.037 0.000 7.389) 7.389 2.055 ( 0.025 0.000 -2.098) 2.099 2.132 ( 2.873 0.000 -4.426) 5.277 2.246 ( -5.943 0.000 -9.751) 11.419 2.381 ( -10.268 0.000 4.666) 11.278 2.433 ( 7.389 0.000 1.630) 7.567 2.744 ( 12.848 0.000 0.245) 12.850 2.801 ( 0.170 0.000 -2.681) 2.686 3.189 ( -4.455 0.000 3.396) 5.601 3.276 ( 4.798 0.000 -4.437) 6.535 3.569 ( -3.953 0.000 5.043) 6.408 3.708 ( 1.767 0.000 -6.764) 6.991 4.114 ( -3.338 0.000 7.497) 8.207 4.334 ( 3.906 0.000 -11.708) 12.342 4.777 ( -4.931 0.000 7.808) 9.234 4.949 ( 5.570 0.000 -8.934) 10.528 5.270 ( 0.576 0.000 6.063) 6.091 5.451 ( -4.558 0.000 -9.645) 10.668 6.203 ( -0.110 0.000 4.057) 4.058 6.401 ( 0.772 0.000 -12.873) 12.896 6.990 ( 5.989 0.000 22.803) 23.576 7.381 ( -7.233 0.000 -12.935) 14.820 8.247 ( 4.540 0.000 3.606) 5.798 8.327 ( -6.359 0.000 -3.178) 7.109 8.975 ( 0.459 0.000 17.622) 17.628 9.295 ( -5.972 0.000 -12.109) 13.501 10.710 ( 17.922 0.000 20.185) 26.993 11.068 ( -10.600 0.000 -12.977) 16.756 13.499 ( 10.793 0.000 1.970) 10.971 13.524 ( -7.881 0.000 -0.357) 7.889======================= Grid point 180 (90/116) =======================q-point: (-0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( 0.290 0.000 3.743) 3.755 0.672 ( 1.770 0.000 4.588) 4.917 0.850 ( -3.707 0.000 -2.033) 4.228 0.931 ( -2.670 0.000 -2.918) 3.955 0.973 ( 5.856 0.000 3.186) 6.667 1.005 ( 2.733 0.000 11.000) 11.334 1.140 ( 2.309 0.000 -0.990) 2.513 1.311 ( 8.748 0.000 1.870) 8.945 1.401 ( 0.595 0.000 -4.155) 4.197 1.545 ( 6.725 0.000 -6.538) 9.379 1.788 ( -8.834 0.000 3.265) 9.419 1.847 ( -1.666 0.000 -1.367) 2.155 2.006 ( -10.345 0.000 -5.968) 11.943 2.054 ( 2.220 0.000 4.921) 5.399 2.065 ( 0.036 0.000 1.150) 1.150 2.171 ( -1.777 0.000 -1.124) 2.102 2.275 ( -6.626 0.000 9.446) 11.538 2.551 ( 5.884 0.000 -2.235) 6.295 2.620 ( -9.148 0.000 -12.945) 15.851 2.831 ( 0.997 0.000 -5.032) 5.130 3.204 ( -0.437 0.000 3.063) 3.094 3.364 ( 9.040 0.000 -4.617) 10.151 3.613 ( 2.546 0.000 7.627) 8.040 3.724 ( 7.017 0.000 -4.758) 8.478 4.166 ( 0.106 0.000 8.851) 8.852 4.305 ( 4.363 0.000 -9.821) 10.746 4.736 ( -7.462 0.000 6.212) 9.709 4.939 ( 2.255 0.000 -6.722) 7.090 5.338 ( -0.238 0.000 -6.194) 6.198 5.419 ( 7.405 0.000 11.263) 13.479 6.240 ( -2.301 0.000 9.158) 9.443 6.253 ( -5.474 0.000 -11.766) 12.977 7.115 ( -6.733 0.000 -15.863) 17.232 7.281 ( 3.919 0.000 19.832) 20.216 8.147 ( -11.728 0.000 -2.570) 12.006 8.330 ( 0.670 0.000 4.819) 4.865 9.160 ( 1.736 0.000 -11.194) 11.327 9.252 ( 11.535 0.000 20.043) 23.126 10.698 ( -14.251 0.000 -21.773) 26.023 11.159 ( 18.299 0.000 11.790) 21.769 13.307 ( -15.691 0.000 -2.910) 15.958 13.614 ( 1.903 0.000 -1.779) 2.605======================= Grid point 181 (91/116) =======================q-point: (-0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( -4.380 0.000 2.905) 5.255 0.686 ( -5.720 0.000 3.966) 6.960 0.824 ( 8.259 0.000 10.018) 12.983 0.857 ( -2.304 0.000 -1.724) 2.877 1.141 ( -3.424 0.000 13.386) 13.817 1.183 ( 9.466 0.000 1.500) 9.585 1.229 ( 4.154 0.000 6.075) 7.359 1.393 ( 5.374 0.000 -3.394) 6.356 1.465 ( 6.881 0.000 1.405) 7.023 1.544 ( 1.235 0.000 -7.850) 7.946 1.657 ( -10.837 0.000 7.525) 13.194 1.760 ( -1.493 0.000 -2.179) 2.641 1.893 ( -0.145 0.000 -0.093) 0.172 2.046 ( -6.909 0.000 -5.137) 8.610 2.088 ( 0.059 0.000 2.191) 2.192 2.137 ( -6.746 0.000 -3.039) 7.399 2.236 ( -0.717 0.000 7.233) 7.269 2.458 ( 3.311 0.000 -3.565) 4.866 2.578 ( 1.355 0.000 -4.514) 4.713 2.758 ( -0.323 0.000 -9.790) 9.795 3.203 ( -1.766 0.000 2.607) 3.149 3.443 ( 3.980 0.000 -0.962) 4.095 3.755 ( 5.211 0.000 4.182) 6.682 3.860 ( 12.840 0.000 -2.975) 13.181 4.238 ( -1.513 0.000 6.594) 6.766 4.287 ( 1.937 0.000 -6.191) 6.487 4.665 ( -7.088 0.000 6.674) 9.736 4.912 ( 2.069 0.000 -6.321) 6.651 5.308 ( 1.773 0.000 -4.293) 4.644 5.659 ( 6.346 0.000 1.349) 6.488 6.054 ( -5.526 0.000 3.838) 6.728 6.312 ( -0.814 0.000 12.639) 12.665 6.918 ( 0.320 0.000 -13.787) 13.790 7.460 ( -0.932 0.000 12.569) 12.604 7.895 ( -15.657 0.000 -1.138) 15.698 8.357 ( -2.198 0.000 3.069) 3.775 9.115 ( 4.183 0.000 -10.517) 11.319 9.537 ( -6.250 0.000 2.431) 6.706 10.379 ( 9.429 0.000 -7.957) 12.338 11.558 ( 20.605 0.000 4.059) 21.001 12.963 ( -21.267 0.000 -3.036) 21.482 13.512 ( -10.264 0.000 -5.013) 11.423======================= Grid point 182 (92/116) =======================q-point: (-0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -7.239 0.000 4.778) 8.674 0.636 ( -2.380 0.000 3.798) 4.482 0.788 ( -2.851 0.000 -2.580) 3.845 1.059 ( -11.945 0.000 2.329) 12.170 1.134 ( 8.689 0.000 15.278) 17.576 1.264 ( -1.327 0.000 5.291) 5.455 1.342 ( 10.133 0.000 -4.247) 10.986 1.538 ( 8.316 0.000 0.294) 8.321 1.547 ( 2.638 0.000 0.265) 2.652 1.573 ( 3.222 0.000 0.791) 3.317 1.624 ( -3.584 0.000 19.116) 19.449 1.770 ( -15.369 0.000 -6.637) 16.741 1.782 ( 3.093 0.000 -2.195) 3.793 1.923 ( 1.415 0.000 -1.555) 2.102 1.962 ( -4.916 0.000 -5.591) 7.445 2.137 ( 5.137 0.000 3.827) 6.406 2.382 ( 5.186 0.000 3.653) 6.344 2.520 ( -1.086 0.000 -9.532) 9.593 2.530 ( 5.418 0.000 -0.534) 5.444 2.656 ( -1.232 0.000 -7.730) 7.827 3.236 ( 2.838 0.000 4.733) 5.519 3.500 ( 1.766 0.000 2.409) 2.987 3.806 ( -0.799 0.000 -0.375) 0.882 4.034 ( 7.801 0.000 -4.361) 8.938 4.221 ( -3.992 0.000 2.860) 4.911 4.257 ( -1.747 0.000 -0.533) 1.827 4.638 ( -4.067 0.000 7.217) 8.284 4.908 ( 7.019 0.000 -9.983) 12.204 5.308 ( 3.612 0.000 -5.112) 6.260 5.484 ( -12.717 0.000 -9.020) 15.591 6.336 ( 15.704 0.000 20.599) 25.903 6.445 ( 0.901 0.000 14.611) 14.639 6.866 ( 6.379 0.000 -10.370) 12.175 7.454 ( -7.121 0.000 -2.958) 7.711 7.658 ( -12.136 0.000 7.477) 14.254 8.259 ( -10.693 0.000 -5.752) 12.142 9.093 ( 4.285 0.000 -9.976) 10.857 9.118 ( -24.802 0.000 -3.329) 25.024 10.903 ( 39.294 0.000 5.361) 39.658 11.865 ( 9.457 0.000 -3.141) 9.965 12.613 ( -13.568 0.000 1.532) 13.655 13.202 ( -19.712 0.000 -5.100) 20.361======================= Grid point 183 (93/116) =======================q-point: ( 0.00 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( -1.605 3.270 5.342) 6.466 0.650 ( -1.572 0.990 1.138) 2.179 0.809 ( 2.751 0.729 0.584) 2.905 0.847 ( -2.615 -1.981 -1.000) 3.430 1.255 ( 2.777 -3.704 2.640) 5.330 1.296 ( -2.216 -5.522 -2.355) 6.400 1.440 ( -2.120 6.510 11.436) 13.328 1.545 ( 3.876 -1.046 4.759) 6.227 1.609 ( -0.333 2.296 -2.667) 3.535 1.636 ( -1.759 6.000 -3.488) 7.160 1.767 ( 4.880 3.379 0.865) 5.998 1.814 ( -0.127 1.660 0.560) 1.757 1.833 ( -0.328 2.310 -4.244) 4.843 1.902 ( -0.161 3.829 -6.311) 7.383 1.939 ( 2.958 5.797 17.273) 18.458 2.284 ( 3.525 -1.947 -0.827) 4.111 2.330 ( -0.153 -3.206 -6.412) 7.170 2.427 ( 1.705 0.231 -5.400) 5.668 2.559 ( 3.426 -2.990 -0.701) 4.601 2.595 ( -3.588 0.596 -5.917) 6.946 3.338 ( 8.017 -5.341 6.982) 11.898 3.451 ( -7.354 -3.069 -3.313) 8.630 3.841 ( 5.699 -0.362 5.114) 7.665 3.940 ( -8.018 -0.243 -4.853) 9.375 4.084 ( -10.053 -9.372 8.075) 15.941 4.220 ( 3.263 -2.718 -2.839) 5.108 4.523 ( 1.589 -11.033 3.199) 11.597 4.779 ( 8.804 -14.324 -17.681) 24.398 5.312 ( -5.977 6.140 5.207) 10.027 5.443 ( 4.780 5.108 -6.694) 9.682 6.553 ( -0.812 1.392 12.448) 12.552 6.795 ( 2.289 -0.888 -9.796) 10.099 6.955 ( 14.077 6.574 17.695) 23.548 7.292 ( -9.379 6.347 -13.649) 17.735 7.685 ( 0.776 0.283 10.621) 10.653 7.863 ( -8.529 -5.978 -6.483) 12.268 8.960 ( -6.547 8.134 10.743) 14.981 9.172 ( 1.961 8.474 -8.836) 12.398 11.478 ( 26.004 -6.497 2.725) 26.941 11.569 ( -26.927 -5.476 -5.997) 28.125 12.738 ( 16.016 1.284 2.912) 16.330 12.815 ( -15.083 -0.749 -4.319) 15.707======================= Grid point 184 (94/116) =======================q-point: ( 0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( 1.418 0.806 1.835) 2.455 0.687 ( 4.969 1.916 2.623) 5.937 0.817 ( 4.064 3.000 -1.840) 5.376 0.983 ( 9.620 -1.447 2.144) 9.962 1.153 ( -5.088 -1.545 0.993) 5.410 1.383 ( 1.674 -2.147 0.939) 2.880 1.432 ( -3.580 4.371 0.851) 5.714 1.496 ( -6.533 -0.548 -2.525) 7.026 1.589 ( -5.048 3.408 -3.676) 7.114 1.677 ( -2.999 3.523 -5.549) 7.224 1.704 ( 6.080 0.788 -0.054) 6.131 1.772 ( -1.118 3.038 0.936) 3.370 1.880 ( 2.433 1.699 1.503) 3.326 1.922 ( 5.472 1.831 -2.521) 6.296 2.126 ( -1.129 -0.472 -15.883) 15.930 2.200 ( 5.340 2.665 17.711) 18.689 2.336 ( -2.272 0.875 -5.928) 6.409 2.379 ( -1.110 -2.574 -6.152) 6.760 2.517 ( 1.095 -1.533 -1.900) 2.676 2.619 ( 1.853 0.422 1.135) 2.214 3.288 ( -5.741 -3.651 -3.979) 7.882 3.488 ( 0.916 -4.147 2.654) 5.008 3.798 ( -2.184 -0.137 -0.954) 2.388 3.934 ( -9.067 -4.141 1.983) 10.163 4.027 ( -0.285 -8.745 10.480) 13.652 4.240 ( 1.468 1.741 3.383) 4.078 4.581 ( 2.048 -8.500 2.450) 9.080 4.759 ( 8.132 -16.401 -18.896) 26.310 5.245 ( -4.080 4.220 3.413) 6.790 5.532 ( 8.075 2.956 -2.844) 9.057 6.603 ( -4.296 6.023 9.207) 11.811 6.697 ( -2.042 -3.125 -10.782) 11.410 6.956 ( -10.532 8.660 -17.970) 22.558 7.328 ( 11.622 5.668 11.928) 17.591 7.802 ( 6.266 -0.414 -1.566) 6.472 7.935 ( 12.340 -7.288 12.180) 18.808 8.965 ( -5.073 10.299 9.290) 14.768 9.205 ( 9.163 7.128 -1.537) 11.710 10.963 ( -36.680 -3.385 -4.149) 37.069 11.697 ( -5.319 -9.202 4.931) 11.717 12.709 ( 9.326 2.571 -4.363) 10.612 13.081 ( 18.725 -2.083 3.583) 19.178======================= Grid point 185 (95/116) =======================q-point: ( 0.25 0.14 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 4.817 -1.018 0.022) 4.924 0.782 ( 3.790 4.428 -0.029) 5.828 0.911 ( 5.913 6.539 -2.175) 9.080 1.036 ( -2.065 -2.976 -2.282) 4.281 1.223 ( -6.452 4.588 -2.576) 8.325 1.235 ( 1.983 1.774 1.687) 3.151 1.323 ( -4.627 1.005 -5.605) 7.338 1.441 ( -3.732 1.182 -4.218) 5.755 1.475 ( -1.630 -2.424 -1.537) 3.301 1.560 ( -7.335 4.401 -2.593) 8.938 1.689 ( -1.437 -0.953 -0.942) 1.965 1.836 ( 1.718 2.582 -4.478) 5.447 1.925 ( 0.043 -0.618 -2.122) 2.211 1.945 ( 4.936 -4.147 -0.731) 6.489 2.107 ( 9.111 0.675 -0.937) 9.184 2.255 ( -4.561 -4.773 -0.368) 6.612 2.286 ( 4.332 3.485 -10.453) 11.840 2.424 ( 5.468 -0.928 8.367) 10.039 2.524 ( 3.218 0.413 -6.810) 7.544 2.647 ( -1.259 5.876 5.655) 8.252 3.218 ( 0.472 -3.119 -2.107) 3.793 3.426 ( -6.752 -0.928 0.282) 6.821 3.762 ( -10.851 -3.744 2.029) 11.657 3.811 ( -0.360 -2.185 -0.534) 2.278 4.054 ( -4.204 -8.050 6.611) 11.233 4.347 ( 5.191 0.578 0.589) 5.256 4.634 ( -0.810 -6.167 6.239) 8.810 4.714 ( 6.867 -17.733 -15.650) 24.628 5.242 ( 0.613 0.232 0.680) 0.944 5.628 ( 4.657 -0.735 -0.083) 4.715 6.495 ( -6.445 5.355 -14.648) 16.876 6.613 ( -3.388 -1.375 -9.532) 10.210 6.706 ( -0.826 16.109 4.335) 16.702 7.568 ( 5.058 5.609 7.575) 10.697 7.942 ( 11.487 0.190 -2.964) 11.864 8.217 ( 7.124 -10.861 8.049) 15.281 8.956 ( -4.069 8.330 6.276) 11.195 9.467 ( 15.960 4.195 7.420) 18.093 10.351 ( -30.186 0.555 0.563) 30.197 11.520 ( -15.931 -6.939 3.349) 17.697 12.950 ( 18.265 2.043 -0.499) 18.386 13.382 ( 12.096 -3.299 3.865) 13.120======================= Grid point 186 (96/116) =======================q-point: ( 0.38 0.14 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( 2.863 -0.361 -2.306) 3.694 0.801 ( -6.565 0.042 -8.393) 10.656 0.837 ( 0.931 5.439 -3.051) 6.305 0.943 ( 0.072 7.612 -1.359) 7.732 1.118 ( -6.940 2.547 -5.243) 9.064 1.181 ( -2.974 1.518 -5.827) 6.716 1.289 ( -3.568 1.761 2.290) 4.591 1.333 ( -1.990 1.076 -9.704) 9.964 1.381 ( -3.571 0.978 -1.797) 4.116 1.447 ( -2.639 1.486 1.960) 3.607 1.748 ( 6.197 -3.096 2.302) 7.299 1.837 ( 1.385 0.907 -1.835) 2.471 1.909 ( 1.869 -0.798 1.752) 2.683 1.998 ( -0.139 -6.399 0.145) 6.402 2.207 ( 0.415 -2.835 -2.614) 3.878 2.246 ( 5.156 1.521 0.628) 5.412 2.329 ( 3.371 -2.280 -4.996) 6.444 2.516 ( 0.992 -0.318 2.715) 2.908 2.533 ( 10.070 3.431 -8.762) 13.782 2.727 ( 2.460 5.079 8.504) 10.206 3.227 ( 1.297 -2.232 -1.754) 3.121 3.314 ( -6.587 0.350 1.202) 6.705 3.622 ( -7.240 -2.065 1.787) 7.738 3.757 ( -2.264 -1.445 -4.637) 5.359 4.045 ( -3.692 -8.063 6.035) 10.727 4.363 ( 2.021 -1.856 -9.122) 9.526 4.653 ( -2.924 -10.236 5.549) 12.005 4.728 ( 6.491 -16.055 -7.649) 18.932 5.266 ( 0.970 2.330 2.457) 3.522 5.660 ( -0.132 1.044 -3.742) 3.887 6.258 ( -4.811 4.759 -9.144) 11.376 6.481 ( 1.153 -1.268 -13.557) 13.664 6.864 ( 4.476 15.822 16.981) 23.637 7.613 ( -2.465 6.381 -2.366) 7.238 8.104 ( 9.082 -1.168 -0.245) 9.160 8.313 ( -0.381 -8.586 2.444) 8.935 8.957 ( -3.380 6.893 8.151) 11.197 9.535 ( -10.043 -3.649 -9.841) 14.527 10.274 ( 10.089 5.900 22.473) 25.330 11.291 ( -11.960 -4.141 -1.950) 12.806 13.248 ( 15.264 0.410 2.308) 15.443 13.536 ( 2.385 -3.086 2.401) 4.580======================= Grid point 187 (97/116) =======================q-point: (-0.50 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 1.268 4.401 -2.917) 5.430 0.716 ( -7.002 2.113 -6.441) 9.745 0.859 ( 0.553 -0.401 2.311) 2.410 0.918 ( -3.407 -0.282 -1.888) 3.905 0.962 ( -0.844 5.280 0.811) 5.408 1.135 ( -2.431 2.623 -11.843) 12.372 1.183 ( -7.432 1.721 1.441) 7.764 1.212 ( 5.380 4.703 -0.432) 7.159 1.439 ( 0.227 1.961 0.429) 2.021 1.455 ( 5.954 -0.265 -0.753) 6.007 1.821 ( -0.652 -1.255 0.319) 1.450 1.842 ( 1.293 -1.608 -1.160) 2.367 1.987 ( 0.082 -3.021 6.811) 7.451 2.015 ( 1.209 -2.612 3.757) 4.733 2.168 ( 1.728 0.406 -6.861) 7.086 2.225 ( -5.246 -2.631 -8.526) 10.351 2.340 ( -1.018 -0.935 6.410) 6.557 2.469 ( -0.391 1.910 -3.380) 3.902 2.740 ( 6.245 -0.025 0.821) 6.299 2.797 ( 3.891 0.211 -2.491) 4.625 3.192 ( -5.336 0.007 3.726) 6.508 3.285 ( 5.480 0.609 -4.528) 7.135 3.566 ( -2.003 -0.221 3.666) 4.183 3.688 ( 1.306 -2.068 -6.776) 7.204 4.059 ( -1.561 -6.087 7.779) 10.000 4.289 ( 2.092 -5.046 -12.243) 13.406 4.636 ( -5.991 -12.501 6.072) 15.134 4.766 ( 5.785 -14.911 -6.109) 17.121 5.340 ( 2.492 6.401 7.511) 10.178 5.548 ( -3.267 6.786 -10.669) 13.059 6.191 ( -2.102 -0.736 3.856) 4.453 6.383 ( 1.295 -1.743 -12.445) 12.633 7.124 ( 4.292 12.994 20.100) 24.316 7.466 ( -6.311 8.045 -10.931) 14.967 8.226 ( 2.746 -2.495 2.973) 4.754 8.277 ( -3.732 -5.261 -0.744) 6.493 9.011 ( -1.880 3.742 13.588) 14.219 9.282 ( -3.939 -1.131 -11.130) 11.861 10.733 ( 16.725 2.356 19.290) 25.640 11.059 ( -9.480 -1.064 -10.948) 14.521 13.481 ( 9.199 -1.795 1.835) 9.551 13.505 ( -6.724 -1.945 -0.363) 7.009======================= Grid point 188 (98/116) =======================q-point: (-0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 0.703 4.081 4.196) 5.896 0.715 ( 1.268 3.104 3.217) 4.647 0.831 ( -4.192 -0.943 -0.985) 4.408 0.943 ( 1.391 0.252 7.050) 7.190 0.996 ( 0.223 2.250 0.030) 2.261 1.029 ( 2.479 1.862 5.043) 5.920 1.138 ( -0.499 1.701 2.274) 2.883 1.358 ( 9.696 4.814 0.622) 10.843 1.421 ( 1.087 1.482 -5.268) 5.579 1.541 ( 6.681 0.140 -5.254) 8.500 1.760 ( -7.591 -2.061 1.125) 7.946 1.832 ( -0.787 -1.110 -1.223) 1.830 1.988 ( -7.702 -2.154 -2.657) 8.427 2.031 ( -1.311 -1.282 0.158) 1.840 2.090 ( 0.928 -0.177 4.460) 4.559 2.188 ( 0.064 0.753 -2.088) 2.221 2.303 ( -5.383 3.313 8.337) 10.462 2.462 ( -1.028 -5.582 -6.756) 8.824 2.623 ( -5.016 -1.424 -6.846) 8.606 2.871 ( 2.541 4.028 -5.236) 7.078 3.163 ( -2.717 -4.040 4.076) 6.349 3.374 ( 8.542 0.767 -4.883) 9.869 3.628 ( 4.026 1.142 5.538) 6.941 3.699 ( 6.920 -2.420 -5.003) 8.875 4.141 ( 1.131 -3.731 9.152) 9.947 4.231 ( 3.625 -7.506 -10.274) 13.230 4.563 ( -8.207 -14.466 4.727) 17.291 4.809 ( 5.032 -11.443 -4.748) 13.372 5.373 ( -3.352 4.740 -4.319) 7.236 5.524 ( 6.636 6.562 5.228) 10.697 6.192 ( -4.036 -1.728 5.331) 6.906 6.308 ( 0.498 1.996 -5.077) 5.478 7.160 ( -10.477 7.307 -5.990) 14.108 7.424 ( 4.791 11.704 10.770) 16.612 8.126 ( -10.424 -2.546 -1.356) 10.816 8.297 ( 0.062 -3.643 2.647) 4.503 9.081 ( -1.487 -4.320 2.965) 5.447 9.303 ( 10.544 2.323 5.980) 12.342 10.732 ( -11.059 3.439 -19.170) 22.397 11.170 ( 18.477 0.766 9.430) 20.758 13.303 ( -14.884 -0.365 -2.582) 15.111 13.577 ( 0.785 -3.741 -1.371) 4.061======================= Grid point 189 (99/116) =======================q-point: (-0.25 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -6.095 -1.169 0.846) 6.264 0.731 ( -5.219 5.939 5.322) 9.530 0.835 ( 9.054 0.763 9.499) 13.145 0.909 ( -2.243 4.988 0.846) 5.534 1.137 ( -7.186 -0.580 9.313) 11.778 1.148 ( 5.679 -1.639 6.130) 8.516 1.214 ( 6.212 -1.151 6.393) 8.988 1.411 ( 3.689 -0.464 -2.373) 4.411 1.506 ( 6.408 3.248 -0.570) 7.206 1.557 ( 2.151 3.161 -4.714) 6.070 1.662 ( -1.552 1.058 1.260) 2.262 1.786 ( -2.927 2.400 0.007) 3.786 1.869 ( -1.663 -1.756 0.273) 2.434 2.035 ( -0.342 -2.647 -4.609) 5.326 2.094 ( -6.731 1.433 5.403) 8.749 2.170 ( -3.885 3.111 -3.876) 6.308 2.242 ( -2.054 0.047 1.404) 2.488 2.402 ( 4.125 -3.176 1.057) 5.313 2.548 ( -0.364 -3.865 -5.547) 6.770 2.822 ( 0.179 5.901 -8.418) 10.282 3.151 ( -2.844 -5.158 4.030) 7.137 3.454 ( 5.397 0.781 -2.591) 6.037 3.761 ( 4.690 0.094 3.154) 5.653 3.825 ( 12.133 -3.453 -3.349) 13.051 4.200 ( 0.089 -8.382 -1.185) 8.466 4.226 ( -0.220 -3.818 1.889) 4.265 4.479 ( -5.999 -14.446 5.173) 16.475 4.833 ( 4.026 -7.966 -7.134) 11.426 5.299 ( -0.186 1.107 -4.198) 4.345 5.650 ( 1.401 -1.257 -0.526) 1.955 6.215 ( 3.128 10.232 9.740) 14.469 6.325 ( -0.803 2.129 9.117) 9.396 6.941 ( -4.891 5.809 -9.559) 12.208 7.571 ( 0.076 9.571 9.354) 13.383 7.898 ( -14.672 -0.239 -1.493) 14.750 8.285 ( -3.999 -7.324 0.769) 8.380 9.066 ( 0.412 -3.144 -3.731) 4.896 9.512 ( -2.714 -2.928 5.117) 6.490 10.485 ( 10.055 10.031 -12.564) 18.963 11.549 ( 20.366 -1.681 1.376) 20.482 12.976 ( -20.220 1.586 -2.655) 20.455 13.468 ( -10.579 -4.463 -4.254) 12.244======================= Grid point 190 (100/116) =======================q-point: (-0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( -4.634 1.044 3.499) 5.899 0.679 ( -4.678 5.069 4.106) 8.028 0.828 ( -4.112 3.656 -2.471) 6.032 0.990 ( -9.723 -6.041 1.393) 11.531 1.126 ( 4.516 -1.808 8.460) 9.759 1.280 ( 3.541 2.247 6.389) 7.643 1.310 ( 4.832 -0.804 5.369) 7.268 1.475 ( 1.254 -5.497 2.107) 6.019 1.611 ( 1.695 3.929 0.903) 4.373 1.639 ( 10.692 6.036 0.106) 12.278 1.685 ( 0.189 5.317 8.640) 10.147 1.793 ( 0.090 2.238 -0.128) 2.243 1.817 ( -9.652 4.329 -2.756) 10.931 1.903 ( -0.229 -1.144 -0.552) 1.291 2.009 ( -2.407 3.514 -7.175) 8.344 2.140 ( 2.810 0.496 6.516) 7.113 2.353 ( 6.378 -3.108 0.313) 7.102 2.451 ( -0.033 -5.591 -4.290) 7.048 2.509 ( 2.831 -1.973 -2.128) 4.054 2.724 ( -2.011 5.803 -9.517) 11.327 3.181 ( 2.208 -5.326 5.857) 8.219 3.511 ( 1.995 0.338 -0.050) 2.024 3.794 ( -1.084 -1.261 -0.345) 1.698 3.996 ( 8.806 -3.964 -3.424) 10.246 4.168 ( -8.075 -7.415 6.770) 12.885 4.198 ( 1.136 -5.368 -4.749) 7.256 4.474 ( -0.714 -12.667 4.943) 13.616 4.810 ( 4.538 -9.181 -12.574) 16.217 5.293 ( 2.609 1.606 -1.555) 3.436 5.550 ( -6.725 2.618 -5.345) 8.980 6.415 ( 2.432 3.827 12.282) 13.092 6.537 ( 12.511 8.498 19.950) 25.035 6.834 ( 1.654 1.759 -8.730) 9.058 7.549 ( -7.284 6.987 -7.150) 12.369 7.677 ( -10.557 2.471 8.602) 13.840 8.135 ( -11.822 -11.231 -5.952) 17.359 9.012 ( -5.432 0.132 1.431) 5.619 9.302 ( -10.080 9.322 -7.016) 15.419 10.901 ( 35.598 0.393 1.879) 35.650 11.813 ( 7.996 -5.774 -5.251) 11.174 12.653 ( -12.005 4.061 0.903) 12.705 13.167 ( -18.979 -3.484 -4.554) 19.826======================= Grid point 191 (101/116) =======================q-point: ( 0.00 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.645 ( -0.339 3.116 4.660) 5.616 0.709 ( -4.198 5.006 -0.328) 6.541 0.825 ( 1.087 -0.028 -0.596) 1.240 0.838 ( 2.379 1.634 -1.921) 3.467 1.165 ( 5.816 -3.446 4.524) 8.134 1.262 ( -3.968 -0.366 -4.626) 6.106 1.507 ( 3.185 -1.779 10.827) 11.425 1.559 ( 1.351 5.515 10.918) 12.306 1.654 ( -0.810 2.226 -3.516) 4.240 1.732 ( -4.258 2.796 -3.934) 6.436 1.824 ( -1.591 3.740 2.586) 4.818 1.865 ( 0.801 3.559 0.923) 3.763 1.887 ( 2.478 2.004 -5.130) 6.039 1.965 ( 2.317 2.377 -7.298) 8.017 2.052 ( 2.671 4.455 9.660) 10.968 2.209 ( -5.146 -6.764 -4.194) 9.478 2.302 ( 4.201 2.018 7.060) 8.460 2.394 ( 6.363 -2.954 -0.456) 7.030 2.521 ( 0.855 0.043 -0.828) 1.191 2.663 ( -3.558 6.284 -12.585) 14.510 3.226 ( 7.219 -5.830 7.289) 11.800 3.363 ( -7.109 -5.823 -4.765) 10.351 3.787 ( -1.539 -6.786 6.952) 9.836 3.916 ( -3.347 -3.786 -3.555) 6.178 3.940 ( -3.571 -2.878 0.927) 4.679 4.094 ( 13.992 -11.395 -11.011) 21.139 4.342 ( -3.825 -4.840 5.693) 8.395 4.551 ( 4.802 -9.469 -13.310) 17.026 5.412 ( -2.721 4.087 4.173) 6.444 5.493 ( 1.463 0.724 -2.983) 3.400 6.612 ( 2.128 4.177 9.753) 10.821 6.745 ( 2.978 -2.496 -0.576) 3.928 7.112 ( 6.292 6.940 6.972) 11.677 7.333 ( -7.617 -2.160 -11.420) 13.896 7.730 ( -3.971 3.839 5.633) 7.889 7.799 ( -1.149 0.698 -0.945) 1.643 9.147 ( -1.238 10.920 10.842) 15.438 9.333 ( -0.427 7.387 -5.970) 9.507 11.334 ( 17.272 -7.692 2.073) 19.020 11.432 ( -21.849 -8.622 -6.820) 24.459 12.764 ( 11.086 1.343 0.221) 11.170 12.801 ( -10.023 -0.620 -3.155) 10.526======================= Grid point 192 (102/116) =======================q-point: ( 0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.663 ( -0.526 3.927 -0.937) 4.071 0.754 ( 6.373 4.675 5.503) 9.631 0.874 ( 5.626 1.669 -0.681) 5.907 0.951 ( 11.569 -1.623 -2.571) 11.962 1.166 ( -0.850 3.344 -5.074) 6.136 1.309 ( 6.235 -3.861 2.631) 7.791 1.500 ( -8.432 0.816 -3.286) 9.086 1.540 ( -6.800 4.691 1.393) 8.378 1.646 ( -0.793 2.797 0.866) 3.033 1.724 ( -3.700 1.726 -4.397) 6.000 1.761 ( 0.584 5.152 2.396) 5.712 1.824 ( -1.548 1.424 0.456) 2.152 1.918 ( -0.149 1.122 1.762) 2.094 1.949 ( 2.514 1.979 -6.214) 6.989 2.083 ( -2.533 -4.551 -2.579) 5.812 2.219 ( 4.847 -1.361 5.543) 7.488 2.284 ( -7.135 -2.056 -4.103) 8.483 2.404 ( 1.102 -0.218 -8.040) 8.118 2.554 ( 4.156 6.812 -2.267) 8.295 2.646 ( 5.641 4.077 4.165) 8.111 3.199 ( -4.804 -5.265 -4.654) 8.512 3.394 ( 3.527 -5.289 4.149) 7.592 3.765 ( -6.934 -9.223 4.765) 12.484 3.813 ( -4.726 -1.629 -1.101) 5.119 3.907 ( -1.926 -4.165 0.104) 4.590 4.220 ( 13.250 -9.277 -12.193) 20.256 4.349 ( -1.542 -7.737 7.061) 10.588 4.541 ( 5.446 -7.288 -9.757) 13.341 5.337 ( -6.087 4.906 2.119) 8.100 5.544 ( 3.401 -1.239 -0.233) 3.627 6.659 ( -3.934 0.333 -2.098) 4.471 6.691 ( -1.784 1.938 -4.301) 5.043 7.124 ( -2.509 7.926 -7.438) 11.156 7.397 ( 12.464 -0.133 8.765) 15.238 7.802 ( 5.169 0.988 6.618) 8.455 7.861 ( 7.321 0.688 1.241) 7.457 9.178 ( -3.531 11.501 1.955) 12.189 9.352 ( 6.927 7.348 1.442) 10.200 10.904 ( -32.787 -1.737 -1.601) 32.872 11.461 ( -7.458 -15.357 7.576) 18.678 12.776 ( 10.221 4.328 -2.756) 11.437 13.028 ( 16.754 -3.513 1.694) 17.202======================= Grid point 193 (103/116) =======================q-point: ( 0.25 0.29 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( 3.329 0.896 -1.103) 3.620 0.842 ( 0.109 0.583 0.698) 0.916 1.020 ( 4.985 1.707 -1.082) 5.379 1.060 ( 8.384 7.971 -4.734) 12.500 1.223 ( 8.155 -1.309 -0.387) 8.269 1.293 ( -6.531 2.880 -5.300) 8.891 1.388 ( -2.283 3.366 -6.714) 7.850 1.410 ( -0.529 -3.515 -4.932) 6.080 1.497 ( -11.355 4.694 1.521) 12.380 1.657 ( -6.110 5.354 -1.412) 8.245 1.717 ( -4.094 3.883 -1.770) 5.914 1.850 ( -0.093 -4.010 1.211) 4.189 1.890 ( -0.552 0.969 -2.285) 2.543 1.911 ( -0.240 0.110 -4.405) 4.412 2.118 ( 0.538 -2.149 3.283) 3.961 2.156 ( 3.308 -1.246 -1.283) 3.761 2.330 ( 3.495 -1.130 -6.755) 7.689 2.366 ( 3.301 -5.442 0.498) 6.385 2.596 ( 5.837 7.848 -6.898) 11.969 2.776 ( 1.374 7.721 8.715) 11.724 3.138 ( 2.061 -5.145 -3.781) 6.710 3.395 ( -4.895 -2.827 0.695) 5.695 3.666 ( -7.766 -6.735 1.690) 10.418 3.773 ( -0.483 -1.053 -0.472) 1.251 3.864 ( -3.830 -9.923 2.285) 10.880 4.285 ( 9.624 -13.326 -15.739) 22.758 4.414 ( 1.240 -5.331 5.196) 7.547 4.527 ( -0.503 -5.588 -2.519) 6.150 5.295 ( -0.626 4.744 1.924) 5.157 5.593 ( 2.268 -3.049 1.441) 4.064 6.511 ( -6.049 -0.051 -8.565) 10.486 6.585 ( -2.267 -1.352 -11.244) 11.549 7.103 ( 2.906 20.715 2.036) 21.017 7.653 ( 6.591 1.553 8.645) 10.982 7.943 ( 7.707 -0.047 -1.320) 7.820 8.036 ( 7.348 -6.634 5.730) 11.439 9.124 ( -1.833 9.238 -1.894) 9.606 9.513 ( 6.925 -0.597 0.511) 6.969 10.424 ( -23.679 8.454 9.561) 26.899 11.323 ( -14.815 -14.072 8.396) 22.091 13.007 ( 16.338 3.996 -0.306) 16.822 13.301 ( 12.232 -5.133 2.697) 13.537======================= Grid point 194 (104/116) =======================q-point: ( 0.38 0.29 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 4.011 -1.632 -1.074) 4.462 0.789 ( -4.447 -1.523 -3.735) 6.004 0.951 ( -3.602 5.963 -5.870) 9.110 1.078 ( -7.497 3.436 -3.884) 9.116 1.170 ( 0.574 5.154 -7.938) 9.482 1.238 ( 0.545 2.002 -10.233) 10.441 1.331 ( -3.371 2.683 4.546) 6.263 1.364 ( -0.548 2.738 -6.998) 7.535 1.428 ( 2.359 3.653 0.273) 4.357 1.503 ( -7.665 5.067 1.052) 9.249 1.717 ( 4.678 0.629 1.355) 4.911 1.835 ( -0.002 -5.867 -1.068) 5.963 1.873 ( -1.526 -0.798 -0.791) 1.896 1.898 ( 1.357 -0.333 3.223) 3.512 2.128 ( 0.834 -4.697 -0.808) 4.838 2.242 ( -0.519 -5.669 -3.319) 6.589 2.313 ( 5.210 2.392 -4.274) 7.150 2.471 ( 5.861 -3.513 1.898) 7.092 2.643 ( 9.013 8.138 -7.200) 14.117 2.842 ( -2.586 6.633 7.001) 9.984 3.175 ( 6.008 -3.638 -3.948) 8.057 3.296 ( -6.875 -2.601 1.217) 7.450 3.573 ( -3.569 -2.828 0.140) 4.556 3.727 ( -2.809 -0.876 -3.521) 4.588 3.842 ( -2.074 -11.972 4.387) 12.918 4.252 ( 3.085 -12.401 -15.119) 19.796 4.459 ( 3.892 -6.795 -4.153) 8.864 4.489 ( -5.378 -8.126 5.977) 11.432 5.351 ( 3.455 6.179 4.410) 8.341 5.652 ( 2.735 -1.920 0.624) 3.399 6.316 ( -6.555 2.300 -8.218) 10.761 6.452 ( -0.517 -1.768 -12.255) 12.393 7.229 ( 4.743 20.268 9.584) 22.916 7.735 ( -2.336 5.156 1.096) 5.766 8.054 ( 6.972 -4.226 -0.880) 8.200 8.153 ( 0.767 -7.456 4.173) 8.578 9.096 ( -0.416 7.557 0.292) 7.574 9.449 ( -7.973 -5.209 -8.572) 12.813 10.436 ( 5.066 11.220 21.462) 24.742 11.166 ( -10.471 -9.313 3.827) 14.527 13.264 ( 12.726 1.462 1.565) 12.905 13.461 ( 3.884 -4.588 1.833) 6.284======================= Grid point 195 (105/116) =======================q-point: (-0.50 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 1.388 2.812 -0.766) 3.228 0.746 ( -3.375 0.578 -1.780) 3.859 0.851 ( -3.873 -0.028 -1.483) 4.147 0.892 ( -3.749 -1.754 -4.508) 6.120 1.079 ( -5.635 6.599 -0.094) 8.678 1.181 ( 0.087 2.396 -8.258) 8.599 1.264 ( -8.461 5.798 4.195) 11.082 1.338 ( 6.739 7.040 -2.184) 9.988 1.462 ( -0.670 2.082 0.611) 2.271 1.501 ( 6.344 4.629 -2.851) 8.355 1.804 ( 1.617 -0.447 -0.319) 1.708 1.831 ( -0.867 0.769 -2.361) 2.630 1.878 ( 1.648 -7.805 7.565) 10.993 1.973 ( 0.312 -2.118 5.247) 5.667 2.095 ( 1.197 -7.809 -7.677) 11.016 2.146 ( -2.830 -5.142 -6.474) 8.739 2.380 ( 2.398 3.920 2.933) 5.451 2.491 ( -0.607 0.484 -5.458) 5.513 2.763 ( -4.576 2.860 2.800) 6.080 2.835 ( 8.614 4.028 -2.940) 9.954 3.174 ( -8.111 -2.046 3.314) 8.997 3.279 ( 8.805 -1.816 -5.437) 10.507 3.567 ( 2.258 0.494 1.397) 2.701 3.644 ( -0.496 -1.752 -6.150) 6.414 3.885 ( 0.488 -11.754 7.814) 14.123 4.132 ( 0.647 -12.160 -14.853) 19.206 4.429 ( -6.516 -7.578 4.974) 11.163 4.516 ( 5.704 -10.040 -3.050) 11.943 5.474 ( 3.702 7.312 7.362) 11.017 5.643 ( -1.208 3.096 -6.662) 7.445 6.194 ( -3.747 1.215 1.527) 4.225 6.343 ( 0.703 -2.454 -10.674) 10.975 7.406 ( 1.768 15.462 13.940) 20.893 7.632 ( -5.019 8.498 -6.210) 11.660 8.146 ( -3.324 -7.722 2.558) 8.788 8.151 ( 2.452 -5.710 1.092) 6.309 9.103 ( -4.056 5.619 6.401) 9.435 9.265 ( -0.610 -0.601 -8.161) 8.206 10.792 ( 12.951 3.775 16.045) 20.962 11.023 ( -6.026 -2.859 -5.467) 8.624 13.443 ( 6.024 -1.995 1.358) 6.490 13.460 ( -4.400 -2.507 -0.211) 5.069======================= Grid point 196 (106/116) =======================q-point: (-0.38 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 1.011 3.654 3.615) 5.239 0.727 ( -3.903 -1.039 -0.326) 4.052 0.846 ( 0.504 1.447 3.688) 3.994 0.932 ( 6.665 -1.625 7.922) 10.480 1.017 ( -4.284 2.440 6.991) 8.555 1.105 ( -2.508 4.305 -0.288) 4.991 1.225 ( -3.901 6.694 5.871) 9.721 1.428 ( -0.632 -0.816 -3.784) 3.922 1.463 ( 7.955 5.313 -2.132) 9.800 1.580 ( 7.537 4.182 -5.220) 10.077 1.749 ( -5.230 1.611 -1.140) 5.590 1.817 ( -0.234 -0.704 -0.297) 0.799 1.929 ( -2.053 -4.363 -2.312) 5.348 1.982 ( -0.786 -4.105 2.644) 4.946 2.037 ( -0.427 -4.838 -1.280) 5.023 2.144 ( 4.251 -4.850 0.678) 6.485 2.386 ( -2.667 4.056 -3.988) 6.283 2.443 ( -1.940 3.688 2.466) 4.842 2.597 ( -9.324 0.391 -4.375) 10.307 2.961 ( 5.742 4.539 -3.934) 8.310 3.069 ( -7.629 -4.935 4.738) 10.247 3.375 ( 8.516 -1.400 -6.209) 10.632 3.619 ( 4.588 -2.457 -3.535) 6.291 3.670 ( 6.580 0.081 0.462) 6.597 3.972 ( 0.129 -13.209 5.636) 14.362 4.043 ( 2.871 -12.711 -8.964) 15.817 4.371 ( -4.804 -3.928 4.631) 7.743 4.593 ( 6.516 -10.367 -3.216) 12.660 5.481 ( -5.384 6.076 -5.369) 9.733 5.614 ( 2.195 3.016 2.010) 4.237 6.185 ( -1.877 0.933 6.806) 7.121 6.314 ( 3.634 -1.002 -3.067) 4.860 7.378 ( -10.982 14.212 -0.835) 17.980 7.632 ( 3.608 9.349 7.196) 12.338 8.051 ( -8.207 -5.068 0.196) 9.648 8.187 ( -1.033 -7.928 0.871) 8.042 9.064 ( -4.953 2.675 5.646) 7.973 9.313 ( 6.892 -1.239 1.462) 7.154 10.820 ( -4.136 5.889 -13.304) 15.126 11.163 ( 17.107 -2.162 4.280) 17.766 13.302 ( -12.434 0.552 -1.802) 12.576 13.490 ( -1.764 -5.130 -0.791) 5.483======================= Grid point 197 (107/116) =======================q-point: (-0.25 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -3.995 -0.100 0.933) 4.104 0.813 ( 3.812 -2.984 4.265) 6.452 0.867 ( -4.006 7.691 8.096) 11.863 1.013 ( -1.175 4.884 6.387) 8.126 1.138 ( -5.717 0.707 5.674) 8.086 1.154 ( -0.392 0.964 10.087) 10.141 1.189 ( 4.957 -0.735 5.624) 7.533 1.353 ( -3.646 -4.050 -0.684) 5.492 1.574 ( 7.867 4.374 -1.034) 9.060 1.664 ( 7.241 5.317 -3.957) 9.816 1.709 ( 2.780 4.943 -0.097) 5.672 1.819 ( 1.020 -0.239 0.254) 1.078 1.861 ( -4.268 1.944 0.643) 4.734 1.958 ( 3.054 -4.496 -5.158) 7.493 2.092 ( -0.662 -3.483 5.713) 6.723 2.201 ( 1.840 -1.345 1.556) 2.760 2.259 ( -6.406 3.523 -8.687) 11.354 2.422 ( -2.134 3.705 5.155) 6.698 2.458 ( -2.065 -2.452 -4.943) 5.892 2.950 ( 0.530 7.618 -6.837) 10.250 3.027 ( -3.916 -7.867 5.655) 10.450 3.447 ( 6.006 -2.667 -4.505) 7.968 3.718 ( 9.783 -4.794 -2.328) 11.140 3.769 ( 3.878 -2.231 -0.516) 4.504 3.981 ( 3.670 -13.466 -6.723) 15.492 4.028 ( -4.200 -12.922 5.089) 14.509 4.366 ( -1.508 0.600 3.858) 4.185 4.655 ( 5.311 -9.810 -6.578) 12.950 5.360 ( -2.147 4.815 -4.289) 6.797 5.617 ( -2.445 -2.354 -0.325) 3.410 6.299 ( 4.542 1.755 12.675) 13.578 6.379 ( 3.853 1.377 3.224) 5.209 7.185 ( -8.529 17.785 -2.932) 19.941 7.734 ( -0.135 6.133 5.978) 8.566 7.872 ( -12.367 -2.176 -0.689) 12.576 8.118 ( -7.160 -9.416 -1.319) 11.902 9.060 ( -1.527 2.964 4.356) 5.486 9.428 ( -0.231 -5.896 6.628) 8.874 10.710 ( 10.841 13.538 -15.153) 23.030 11.466 ( 18.297 -7.753 -4.085) 20.287 13.027 ( -17.265 3.954 -2.013) 17.826 13.362 ( -11.207 -6.439 -2.955) 13.259======================= Grid point 198 (108/116) =======================q-point: (-0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -1.231 3.000 2.625) 4.172 0.806 ( -5.387 6.806 2.041) 8.916 0.877 ( -5.442 -3.278 3.352) 7.183 0.900 ( -8.084 1.863 -2.494) 8.663 1.076 ( -2.117 -2.218 3.616) 4.741 1.321 ( 3.993 1.278 10.139) 10.972 1.337 ( 2.862 -2.845 6.032) 7.258 1.371 ( 4.126 0.622 6.504) 7.728 1.684 ( 0.653 3.128 0.752) 3.283 1.750 ( 7.121 5.747 -0.106) 9.151 1.795 ( 3.504 6.314 1.541) 7.384 1.838 ( 1.034 2.994 0.772) 3.261 1.867 ( 2.818 -1.494 3.131) 4.469 1.923 ( -1.249 3.093 -5.807) 6.697 2.084 ( -3.976 5.129 -4.474) 7.883 2.157 ( 1.581 -0.029 7.962) 8.118 2.273 ( 5.800 -4.208 0.217) 7.169 2.341 ( -3.437 -6.366 -6.564) 9.768 2.493 ( 2.273 1.960 2.386) 3.834 2.847 ( -3.573 6.496 -10.557) 12.900 3.066 ( 2.568 -5.761 6.833) 9.299 3.474 ( -0.121 -5.145 -3.144) 6.031 3.765 ( -1.706 -2.124 1.408) 3.067 3.885 ( 8.660 -7.609 -0.197) 11.529 3.985 ( 4.782 -14.472 -8.360) 17.384 4.014 ( -1.224 -6.998 1.992) 7.378 4.359 ( -3.033 -0.375 3.165) 4.400 4.626 ( 1.713 -9.504 -11.678) 15.153 5.353 ( 3.386 4.060 -0.036) 5.286 5.556 ( -3.820 -1.462 -0.849) 4.178 6.471 ( 2.575 2.537 10.391) 11.002 6.564 ( 9.932 -2.508 9.764) 14.152 7.066 ( -2.828 17.480 -1.005) 17.736 7.598 ( -11.535 -1.600 -8.372) 14.342 7.769 ( -5.679 5.360 7.130) 10.575 7.934 ( -10.657 -8.146 -3.261) 13.804 9.084 ( -1.520 6.642 6.973) 9.749 9.407 ( -4.431 1.525 0.343) 4.699 10.948 ( 26.103 5.392 -5.588) 27.233 11.644 ( 6.554 -12.191 -8.776) 16.389 12.752 ( -10.485 6.165 -0.573) 12.177 13.084 ( -16.985 -5.148 -3.462) 18.082======================= Grid point 199 (109/116) =======================q-point: ( 0.00 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( 0.677 4.147 2.542) 4.911 0.772 ( 2.020 -0.389 -2.383) 3.148 0.828 ( -1.751 1.296 0.925) 2.367 0.855 ( -0.026 -0.399 -1.395) 1.451 1.164 ( 1.943 3.141 6.997) 7.912 1.236 ( -0.321 -3.190 1.450) 3.519 1.516 ( 4.560 3.443 6.623) 8.747 1.597 ( 7.342 -3.012 4.568) 9.156 1.701 ( -3.330 3.994 -2.334) 5.701 1.755 ( -4.447 -0.470 -4.908) 6.639 1.877 ( -2.405 0.906 4.338) 5.042 1.895 ( -0.632 -0.481 0.977) 1.259 1.943 ( -1.610 4.971 -0.449) 5.245 2.008 ( 1.612 2.726 -5.469) 6.320 2.059 ( -5.020 -4.743 0.571) 6.930 2.080 ( 3.430 -4.090 -2.025) 5.709 2.342 ( 6.365 1.125 3.111) 7.174 2.360 ( 5.664 -0.926 0.134) 5.741 2.614 ( -2.180 9.261 4.953) 10.726 2.742 ( -3.131 -1.071 -3.787) 5.029 3.165 ( 4.195 1.239 1.380) 4.587 3.256 ( -1.712 -5.856 -5.302) 8.083 3.670 ( -1.344 -2.224 0.180) 2.605 3.762 ( 5.102 -10.690 -6.932) 13.724 3.926 ( 2.403 0.410 -2.392) 3.415 3.951 ( 3.403 -2.696 -4.462) 6.226 4.335 ( -2.304 2.574 0.697) 3.524 4.413 ( 1.929 -5.683 -6.464) 8.821 5.465 ( -1.048 1.817 2.092) 2.962 5.489 ( -0.275 -0.864 0.041) 0.908 6.681 ( 3.858 2.672 8.098) 9.359 6.713 ( 4.110 -1.235 5.810) 7.223 7.195 ( -1.436 3.106 -3.732) 5.063 7.261 ( -5.758 -4.205 -8.862) 11.375 7.805 ( -1.379 3.723 5.085) 6.451 7.836 ( -0.722 0.866 2.176) 2.451 9.332 ( 1.506 7.899 7.586) 11.055 9.409 ( 0.586 0.110 0.765) 0.970 11.237 ( 3.188 -1.725 -1.809) 4.051 11.283 ( -11.695 -6.186 -5.827) 14.456 12.783 ( 4.252 0.721 -1.315) 4.509 12.793 ( -3.171 -0.379 -2.145) 3.847======================= Grid point 200 (110/116) =======================q-point: ( 0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( -0.888 5.604 -2.370) 6.148 0.833 ( 0.957 1.068 2.107) 2.548 0.864 ( 9.564 0.121 -0.876) 9.604 0.918 ( 12.289 -2.500 -0.493) 12.551 1.240 ( 2.170 2.814 -3.736) 5.156 1.265 ( 4.320 -0.890 2.170) 4.916 1.523 ( -5.688 2.315 -5.269) 8.092 1.572 ( -3.721 -1.398 -8.956) 9.798 1.712 ( 2.328 3.873 2.948) 5.396 1.764 ( -0.986 1.034 5.732) 5.908 1.797 ( -5.005 0.195 -1.058) 5.119 1.863 ( -4.179 0.040 5.021) 6.533 1.900 ( -5.276 0.687 0.869) 5.391 1.977 ( -2.318 -4.059 3.243) 5.689 2.029 ( 3.365 4.574 -2.628) 6.257 2.142 ( 3.307 -6.325 -0.190) 7.140 2.298 ( -4.323 3.229 -9.203) 10.668 2.365 ( -1.037 -3.312 -7.559) 8.318 2.705 ( 4.048 7.543 4.081) 9.484 2.755 ( 5.413 3.952 3.852) 7.730 3.136 ( -2.731 1.027 -4.319) 5.212 3.267 ( 2.507 -9.359 0.001) 9.689 3.648 ( -1.039 1.098 -1.066) 1.850 3.763 ( 0.833 -6.752 -4.804) 8.329 3.874 ( -3.386 1.437 -2.512) 4.455 3.968 ( 4.985 -10.148 -7.390) 13.507 4.353 ( 1.990 3.110 2.755) 4.607 4.430 ( 4.348 -4.980 -3.879) 7.665 5.423 ( -3.854 4.354 1.332) 5.965 5.498 ( -0.326 -3.504 1.012) 3.662 6.679 ( -4.946 1.624 -4.877) 7.133 6.704 ( -3.918 -0.575 -5.198) 6.535 7.238 ( 7.144 4.973 2.436) 9.039 7.332 ( 11.813 -5.141 6.288) 14.336 7.859 ( 3.122 3.576 3.081) 5.660 7.889 ( 4.708 0.616 1.070) 4.867 9.363 ( -1.588 7.543 -2.204) 8.017 9.433 ( 2.694 0.472 -0.214) 2.743 10.946 ( -23.894 7.103 3.972) 25.241 11.164 ( -13.607 -15.175 7.993) 21.893 12.864 ( 11.952 4.915 -1.201) 12.979 12.953 ( 14.291 -4.491 0.100) 14.981======================= Grid point 201 (111/116) =======================q-point: ( 0.25 0.43 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( -0.100 3.887 -2.109) 4.423 0.802 ( -1.993 -3.929 -1.803) 4.760 1.080 ( 9.949 3.686 0.746) 10.636 1.132 ( 11.073 -1.040 -1.902) 11.283 1.241 ( 3.638 3.773 -6.359) 8.240 1.314 ( 0.492 -2.998 -5.740) 6.495 1.371 ( -2.602 2.191 -5.483) 6.453 1.413 ( -2.874 -0.981 -8.774) 9.285 1.610 ( -11.876 6.683 3.377) 14.040 1.725 ( -9.976 -4.080 2.050) 10.971 1.746 ( -0.410 2.628 0.270) 2.674 1.794 ( -3.304 -1.433 -0.606) 3.652 1.938 ( 0.948 6.105 1.452) 6.346 1.959 ( -0.224 3.535 -1.896) 4.018 2.065 ( -2.168 -2.218 -2.620) 4.060 2.126 ( 1.041 -5.657 -1.042) 5.846 2.267 ( 5.681 -1.784 -0.586) 5.983 2.288 ( 3.577 -2.570 -5.589) 7.115 2.772 ( 4.759 9.671 -3.854) 11.447 2.890 ( 2.706 0.435 6.066) 6.656 3.081 ( 1.258 3.297 -4.089) 5.401 3.264 ( -2.547 -11.579 -0.016) 11.856 3.602 ( -2.666 2.614 -1.593) 4.059 3.703 ( -3.218 -6.168 -2.351) 7.344 3.818 ( -0.468 4.303 -2.542) 5.019 3.988 ( 6.633 -14.100 -10.579) 18.834 4.404 ( 0.007 1.245 2.627) 2.907 4.446 ( -0.169 -3.190 -1.423) 3.498 5.401 ( 0.184 6.251 2.286) 6.658 5.513 ( 1.209 -5.384 2.273) 5.968 6.526 ( -4.970 1.571 -8.556) 10.018 6.559 ( -3.402 -1.636 -10.219) 10.894 7.412 ( 6.957 12.468 5.625) 15.345 7.592 ( 8.881 -7.161 8.122) 14.004 7.953 ( 3.940 1.495 1.856) 4.604 7.981 ( 5.734 -1.165 -0.954) 5.928 9.293 ( -1.367 8.757 -5.725) 10.552 9.440 ( 0.230 -6.533 -5.280) 8.403 10.669 ( -16.731 16.899 14.690) 27.951 11.011 ( -14.315 -18.558 13.066) 26.834 13.095 ( 14.174 5.299 0.419) 15.138 13.199 ( 12.769 -5.655 1.464) 14.042======================= Grid point 202 (112/116) =======================q-point: ( 0.38 0.43 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 1.511 0.398 -1.121) 1.923 0.750 ( -1.812 -2.213 -1.712) 3.333 1.045 ( -7.053 3.938 -7.588) 11.083 1.092 ( -9.558 -0.998 -7.579) 12.239 1.241 ( 4.194 1.432 -4.973) 6.661 1.249 ( 2.661 0.035 -8.095) 8.521 1.385 ( -0.354 2.091 -0.631) 2.213 1.398 ( 1.970 0.542 -1.917) 2.802 1.512 ( 0.093 5.416 2.210) 5.850 1.593 ( -4.846 -0.083 1.224) 4.998 1.745 ( -0.126 0.580 -1.101) 1.250 1.764 ( 1.051 2.035 1.470) 2.721 1.871 ( -2.373 2.526 -3.009) 4.590 1.958 ( -0.101 5.354 -0.575) 5.385 2.010 ( -1.713 -8.284 -5.457) 10.067 2.093 ( -1.678 -8.620 -2.274) 9.072 2.364 ( 6.476 2.703 0.112) 7.018 2.412 ( 7.133 -2.662 1.582) 7.776 2.818 ( 5.795 9.775 -4.102) 12.081 2.937 ( -2.612 0.485 3.573) 4.452 3.109 ( 7.005 -0.494 -4.646) 8.421 3.202 ( -4.446 -7.084 0.307) 8.369 3.556 ( -1.028 2.166 -0.077) 2.398 3.649 ( -1.554 -7.355 0.615) 7.542 3.774 ( -1.474 5.753 -4.698) 7.572 3.968 ( 3.372 -14.611 -12.793) 19.711 4.398 ( -1.874 -1.089 0.947) 2.365 4.405 ( -3.365 -1.869 0.586) 3.893 5.477 ( 4.418 6.808 4.571) 9.315 5.589 ( 3.984 -4.846 3.340) 7.108 6.364 ( -4.736 2.845 -8.480) 10.121 6.414 ( -2.620 -2.393 -10.196) 10.795 7.555 ( 3.650 14.019 6.207) 15.760 7.742 ( 1.499 -5.457 4.810) 7.427 8.001 ( 1.600 0.205 -0.309) 1.642 8.047 ( 1.740 -4.124 0.279) 4.484 9.231 ( -0.404 6.770 -3.997) 7.872 9.347 ( -3.692 -5.741 -6.342) 9.317 10.679 ( -1.161 14.379 17.174) 22.429 10.948 ( -6.739 -13.698 10.774) 18.685 13.306 ( 9.333 3.040 1.175) 9.886 13.376 ( 6.186 -4.337 1.338) 7.672======================= Grid point 203 (113/116) =======================q-point: (-0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 1.183 0.215 2.472) 2.749 0.746 ( 0.658 -0.288 1.759) 1.900 0.858 ( -6.009 0.634 -5.699) 8.306 0.871 ( -6.277 -0.665 -6.578) 9.116 1.188 ( -6.136 4.362 -0.947) 7.588 1.220 ( -2.137 0.949 -3.627) 4.316 1.352 ( -3.044 3.419 4.204) 6.215 1.393 ( 2.313 -0.592 1.017) 2.595 1.552 ( 0.502 5.842 -1.033) 5.954 1.610 ( 6.028 4.285 -5.003) 8.929 1.740 ( -0.459 -2.146 2.388) 3.243 1.824 ( 3.345 0.895 0.841) 3.564 1.847 ( 0.015 -0.821 -0.694) 1.075 1.893 ( -1.693 -9.318 -8.446) 12.690 1.973 ( 0.784 1.209 1.922) 2.402 2.049 ( -0.555 -5.237 -3.445) 6.293 2.448 ( 3.587 2.939 -0.077) 4.638 2.486 ( 2.146 -1.120 -2.965) 3.828 2.847 ( -7.863 5.557 4.030) 10.438 2.908 ( 1.392 1.243 -0.076) 1.868 3.139 ( -1.382 0.293 -1.926) 2.389 3.210 ( 10.096 -5.164 -6.837) 13.242 3.582 ( 2.503 1.625 2.298) 3.767 3.648 ( -0.212 -2.172 -2.477) 3.302 3.712 ( 0.073 -0.087 0.347) 0.365 3.875 ( 0.973 -13.142 -12.655) 18.271 4.363 ( -2.753 -0.352 2.379) 3.656 4.395 ( 1.737 -3.710 -0.680) 4.153 5.596 ( 2.974 5.318 4.828) 7.774 5.660 ( 1.006 -1.344 -0.154) 1.686 6.235 ( -3.149 2.979 -2.956) 5.246 6.293 ( -1.152 -2.950 -7.419) 8.067 7.653 ( 0.154 10.106 7.507) 12.590 7.740 ( -3.160 1.647 0.090) 3.564 8.020 ( -0.895 -3.777 2.363) 4.544 8.044 ( -1.451 -5.002 0.061) 5.209 9.199 ( -2.669 4.192 0.512) 4.996 9.250 ( -0.304 -1.414 -4.114) 4.361 10.870 ( 6.785 4.477 10.010) 12.895 10.954 ( -0.255 -4.342 2.146) 4.850 13.416 ( 2.360 -0.639 0.714) 2.547 13.423 ( -1.310 -1.304 0.166) 1.856======================= Grid point 204 (114/116) =======================q-point: (-0.38 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -3.993 0.309 -0.116) 4.007 0.727 ( -1.971 -0.234 0.213) 1.997 0.870 ( 4.471 1.520 7.138) 8.559 0.900 ( 7.267 -1.610 8.355) 11.190 1.088 ( -6.452 4.292 5.496) 9.500 1.143 ( -5.269 -0.734 3.484) 6.360 1.341 ( -5.922 4.672 3.068) 8.143 1.400 ( -4.246 -2.109 -0.620) 4.782 1.566 ( 5.278 6.835 -1.596) 8.782 1.670 ( 8.245 2.973 -6.071) 10.662 1.742 ( -2.030 -3.756 1.971) 4.702 1.816 ( -0.928 -0.786 -3.269) 3.488 1.850 ( 2.082 -1.738 -1.840) 3.278 1.890 ( 2.929 -4.198 2.422) 5.663 1.987 ( 0.137 1.522 -1.468) 2.119 2.057 ( 3.950 -4.523 -0.578) 6.033 2.446 ( -1.110 2.569 -6.859) 7.408 2.478 ( 1.024 -0.667 -3.571) 3.774 2.704 ( -11.263 9.911 4.541) 15.675 2.892 ( -6.210 -9.141 5.615) 12.396 3.129 ( 2.702 8.477 -4.785) 10.102 3.292 ( 6.880 -7.591 -6.932) 12.370 3.599 ( 3.205 1.333 -5.694) 6.668 3.661 ( 2.523 -2.797 -0.051) 3.767 3.770 ( 3.883 -4.383 0.224) 5.860 3.827 ( 2.937 -8.459 -3.707) 9.691 4.368 ( 0.784 2.271 2.319) 3.339 4.442 ( 4.331 -5.834 -0.802) 7.310 5.583 ( -5.114 4.419 -3.936) 7.821 5.634 ( -2.481 -0.898 -0.977) 2.814 6.223 ( 0.870 2.916 4.629) 5.540 6.279 ( 3.102 -2.650 0.703) 4.140 7.626 ( -6.960 11.063 1.014) 13.110 7.738 ( -0.599 0.584 4.760) 4.833 7.973 ( -5.629 -1.567 1.285) 5.983 8.034 ( -2.442 -7.116 1.962) 7.775 9.155 ( -3.411 6.037 3.303) 7.681 9.258 ( 1.260 -4.516 1.276) 4.859 10.947 ( 4.072 7.508 -7.050) 11.075 11.082 ( 11.951 -6.295 -1.284) 13.568 13.331 ( -8.737 2.614 -1.054) 9.180 13.398 ( -4.954 -4.451 -0.682) 6.695======================= Grid point 205 (115/116) =======================q-point: (-0.25 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( -0.977 2.745 1.845) 3.449 0.745 ( 1.045 -3.889 3.201) 5.144 0.997 ( -2.955 6.107 9.649) 11.795 1.080 ( -1.917 2.843 6.561) 7.403 1.101 ( -2.873 -4.848 8.493) 10.193 1.129 ( -0.923 -2.257 5.183) 5.728 1.240 ( -2.044 4.150 4.953) 6.778 1.301 ( -3.195 -2.225 1.903) 4.333 1.667 ( 5.481 5.109 0.834) 7.540 1.729 ( 0.782 1.300 1.064) 1.853 1.784 ( 7.784 -1.142 -2.599) 8.285 1.801 ( 3.467 1.449 -1.962) 4.239 1.883 ( 1.582 1.246 1.071) 2.281 1.964 ( 2.967 -0.392 2.736) 4.055 1.994 ( 1.623 0.405 -0.245) 1.691 2.124 ( 4.543 -6.825 -0.640) 8.224 2.327 ( -3.866 3.263 -8.999) 10.324 2.377 ( -4.698 -2.467 -9.239) 10.654 2.624 ( -5.467 12.546 8.233) 15.971 2.852 ( -4.729 -10.989 6.622) 13.674 3.114 ( 0.989 10.129 -4.856) 11.276 3.319 ( 2.984 -10.569 -4.275) 11.785 3.647 ( 7.740 -1.309 -5.630) 9.661 3.696 ( 4.048 -5.630 -3.391) 7.718 3.818 ( 2.530 -1.595 -2.239) 3.736 3.861 ( 2.074 -5.258 1.197) 5.778 4.409 ( 1.070 3.551 0.860) 3.807 4.500 ( 3.553 -6.483 -3.066) 8.003 5.461 ( -3.426 5.639 -3.388) 7.417 5.556 ( -3.745 -4.258 -1.593) 5.890 6.336 ( 4.123 2.251 9.127) 10.265 6.374 ( 4.270 -1.514 5.443) 7.082 7.502 ( -7.415 14.835 -1.483) 16.651 7.719 ( -5.506 -7.821 -1.558) 9.691 7.882 ( -7.372 3.540 4.994) 9.582 7.970 ( -6.997 -6.033 1.304) 9.330 9.161 ( -1.176 7.064 6.418) 9.617 9.300 ( -0.376 -7.483 6.506) 9.923 10.982 ( 12.097 15.284 -13.024) 23.443 11.260 ( 14.779 -13.758 -9.075) 22.137 13.121 ( -14.061 5.864 -1.812) 15.342 13.239 ( -12.136 -6.613 -2.124) 13.983======================= Grid point 206 (116/116) =======================q-point: (-0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( -0.001 4.657 2.845) 5.458 0.787 ( -0.362 -4.278 2.556) 4.997 0.912 ( -9.530 2.480 -1.302) 9.933 0.932 ( -8.800 0.303 0.078) 8.805 1.092 ( -2.573 4.487 8.114) 9.622 1.207 ( -1.178 -7.028 8.911) 11.410 1.374 ( 5.141 3.121 5.209) 7.956 1.411 ( 7.761 0.062 6.979) 10.437 1.736 ( -0.357 2.924 2.642) 3.956 1.792 ( 3.733 -2.186 1.585) 4.608 1.853 ( 2.545 1.692 0.575) 3.110 1.879 ( 1.919 -0.080 -0.164) 1.927 1.921 ( 2.960 6.142 2.230) 7.173 1.989 ( 2.158 4.786 -5.386) 7.521 2.080 ( 3.742 -4.623 4.516) 7.468 2.148 ( -1.577 -2.623 -6.588) 7.264 2.231 ( -0.548 -1.377 -4.790) 5.014 2.247 ( 3.834 -1.056 -0.088) 3.977 2.623 ( -3.427 11.093 5.997) 13.067 2.831 ( -4.539 -9.073 2.710) 10.501 3.099 ( 2.955 9.851 -3.156) 10.758 3.315 ( 0.218 -11.381 -3.274) 11.844 3.689 ( -0.065 -3.144 -0.967) 3.290 3.734 ( 6.654 -7.499 -7.833) 12.723 3.859 ( 4.762 1.177 -0.695) 4.954 3.916 ( 4.631 -4.199 -2.106) 6.597 4.391 ( -2.874 3.269 -0.921) 4.449 4.478 ( -0.650 -6.174 -6.412) 8.925 5.432 ( 1.401 4.314 0.096) 4.537 5.508 ( -1.547 -3.526 0.238) 3.858 6.507 ( 5.009 1.345 10.173) 11.419 6.528 ( 6.884 -1.227 8.392) 10.924 7.343 ( -7.833 11.551 -5.105) 14.861 7.514 ( -11.284 -7.086 -8.734) 15.931 7.826 ( -6.565 2.136 6.307) 9.351 7.865 ( -5.589 -1.365 2.457) 6.256 9.230 ( 0.933 8.233 8.518) 11.884 9.365 ( 0.284 -5.465 6.608) 8.580 11.115 ( 15.658 12.281 -10.616) 22.555 11.380 ( 8.806 -15.172 -11.071) 20.744 12.870 ( -11.610 6.244 -1.743) 13.297 12.982 ( -14.251 -5.741 -2.532) 15.572=================== 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 3/16464 10.0 4.404 2.303 4.661 0.000 0.732 0.000 3/16464 20.0 1.669 0.899 1.858 0.000 0.377 0.000 3/16464 30.0 1.176 0.682 1.296 0.000 0.251 0.000 3/16464 40.0 0.959 0.593 1.054 0.000 0.183 0.000 3/16464 50.0 0.826 0.537 0.911 0.000 0.142 0.000 3/16464 60.0 0.732 0.496 0.814 0.000 0.115 0.000 3/16464 70.0 0.663 0.463 0.741 0.000 0.098 0.000 3/16464 80.0 0.611 0.436 0.684 0.000 0.086 0.000 3/16464 90.0 0.569 0.412 0.637 0.000 0.079 0.000 3/16464 100.0 0.535 0.390 0.596 0.000 0.073 0.000 3/16464 110.0 0.507 0.371 0.560 0.000 0.068 0.000 3/16464 120.0 0.482 0.352 0.529 0.000 0.065 0.000 3/16464 130.0 0.460 0.336 0.500 0.000 0.062 0.000 3/16464 140.0 0.441 0.320 0.474 0.000 0.059 0.000 3/16464 150.0 0.423 0.306 0.451 0.000 0.057 0.000 3/16464 160.0 0.406 0.292 0.429 0.000 0.055 0.000 3/16464 170.0 0.391 0.280 0.410 0.000 0.053 0.000 3/16464 180.0 0.377 0.269 0.391 0.000 0.051 0.000 3/16464 190.0 0.363 0.258 0.375 0.000 0.050 0.000 3/16464 200.0 0.351 0.248 0.359 0.000 0.048 0.000 3/16464 210.0 0.339 0.238 0.345 0.000 0.046 0.000 3/16464 220.0 0.328 0.230 0.332 0.000 0.045 0.000 3/16464 230.0 0.317 0.221 0.319 0.000 0.044 0.000 3/16464 240.0 0.307 0.214 0.308 0.000 0.042 0.000 3/16464 250.0 0.298 0.206 0.297 0.000 0.041 0.000 3/16464 260.0 0.289 0.200 0.287 0.000 0.040 0.000 3/16464 270.0 0.280 0.193 0.277 0.000 0.039 0.000 3/16464 280.0 0.272 0.187 0.268 0.000 0.038 0.000 3/16464 290.0 0.265 0.182 0.260 0.000 0.037 0.000 3/16464 300.0 0.257 0.176 0.252 0.000 0.036 0.000 3/16464 310.0 0.250 0.171 0.245 0.000 0.035 0.000 3/16464 320.0 0.244 0.166 0.238 0.000 0.034 0.000 3/16464 330.0 0.238 0.162 0.231 0.000 0.033 0.000 3/16464 340.0 0.232 0.157 0.225 0.000 0.032 0.000 3/16464 350.0 0.226 0.153 0.219 0.000 0.031 0.000 3/16464 360.0 0.220 0.149 0.213 0.000 0.031 0.000 3/16464 370.0 0.215 0.146 0.208 0.000 0.030 0.000 3/16464 380.0 0.210 0.142 0.203 0.000 0.029 0.000 3/16464 390.0 0.205 0.139 0.198 0.000 0.029 0.000 3/16464 400.0 0.201 0.136 0.193 0.000 0.028 0.000 3/16464 410.0 0.196 0.132 0.189 0.000 0.027 0.000 3/16464 420.0 0.192 0.129 0.184 0.000 0.027 0.000 3/16464 430.0 0.188 0.127 0.180 0.000 0.026 0.000 3/16464 440.0 0.184 0.124 0.176 0.000 0.026 0.000 3/16464 450.0 0.181 0.121 0.173 0.000 0.025 0.000 3/16464 460.0 0.177 0.119 0.169 0.000 0.025 0.000 3/16464 470.0 0.174 0.116 0.166 0.000 0.024 0.000 3/16464 480.0 0.170 0.114 0.162 0.000 0.024 0.000 3/16464 490.0 0.167 0.112 0.159 0.000 0.023 0.000 3/16464 500.0 0.164 0.110 0.156 0.000 0.023 0.000 3/16464 510.0 0.161 0.108 0.153 0.000 0.023 0.000 3/16464 520.0 0.158 0.106 0.150 0.000 0.022 0.000 3/16464 530.0 0.155 0.104 0.147 0.000 0.022 0.000 3/16464 540.0 0.153 0.102 0.145 0.000 0.021 0.000 3/16464 550.0 0.150 0.100 0.142 0.000 0.021 0.000 3/16464 560.0 0.147 0.098 0.140 0.000 0.021 0.000 3/16464 570.0 0.145 0.097 0.137 0.000 0.020 0.000 3/16464 580.0 0.143 0.095 0.135 0.000 0.020 0.000 3/16464 590.0 0.140 0.094 0.133 0.000 0.020 0.000 3/16464 600.0 0.138 0.092 0.131 0.000 0.019 0.000 3/16464 610.0 0.136 0.091 0.129 0.000 0.019 0.000 3/16464 620.0 0.134 0.089 0.127 0.000 0.019 0.000 3/16464 630.0 0.132 0.088 0.125 0.000 0.018 0.000 3/16464 640.0 0.130 0.087 0.123 0.000 0.018 0.000 3/16464 650.0 0.128 0.085 0.121 0.000 0.018 0.000 3/16464 660.0 0.126 0.084 0.119 0.000 0.018 0.000 3/16464 670.0 0.124 0.083 0.117 0.000 0.017 0.000 3/16464 680.0 0.123 0.082 0.116 0.000 0.017 0.000 3/16464 690.0 0.121 0.080 0.114 0.000 0.017 0.000 3/16464 700.0 0.119 0.079 0.112 0.000 0.017 0.000 3/16464 710.0 0.118 0.078 0.111 0.000 0.016 0.000 3/16464 720.0 0.116 0.077 0.109 0.000 0.016 0.000 3/16464 730.0 0.114 0.076 0.108 0.000 0.016 0.000 3/16464 740.0 0.113 0.075 0.106 0.000 0.016 0.000 3/16464 750.0 0.112 0.074 0.105 0.000 0.016 0.000 3/16464 760.0 0.110 0.073 0.104 0.000 0.015 0.000 3/16464 770.0 0.109 0.072 0.102 0.000 0.015 0.000 3/16464 780.0 0.107 0.071 0.101 0.000 0.015 0.000 3/16464 790.0 0.106 0.070 0.100 0.000 0.015 0.000 3/16464 800.0 0.105 0.070 0.099 0.000 0.015 0.000 3/16464 810.0 0.104 0.069 0.097 0.000 0.015 0.000 3/16464 820.0 0.102 0.068 0.096 0.000 0.014 0.000 3/16464 830.0 0.101 0.067 0.095 0.000 0.014 0.000 3/16464 840.0 0.100 0.066 0.094 0.000 0.014 0.000 3/16464 850.0 0.099 0.066 0.093 0.000 0.014 0.000 3/16464 860.0 0.098 0.065 0.092 0.000 0.014 0.000 3/16464 870.0 0.097 0.064 0.091 0.000 0.014 0.000 3/16464 880.0 0.095 0.063 0.090 0.000 0.013 0.000 3/16464 890.0 0.094 0.063 0.089 0.000 0.013 0.000 3/16464 900.0 0.093 0.062 0.088 0.000 0.013 0.000 3/16464 910.0 0.092 0.061 0.087 0.000 0.013 0.000 3/16464 920.0 0.091 0.061 0.086 0.000 0.013 0.000 3/16464 930.0 0.090 0.060 0.085 0.000 0.013 0.000 3/16464 940.0 0.090 0.059 0.084 0.000 0.013 0.000 3/16464 950.0 0.089 0.059 0.083 0.000 0.012 0.000 3/16464 960.0 0.088 0.058 0.082 0.000 0.012 0.000 3/16464 970.0 0.087 0.058 0.081 0.000 0.012 0.000 3/16464 980.0 0.086 0.057 0.081 0.000 0.012 0.000 3/16464 990.0 0.085 0.056 0.080 0.000 0.012 0.000 3/16464 1000.0 0.084 0.056 0.079 0.000 0.012 0.000 3/16464Thermal conductivity related properties were written into "kappa-m877.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:24:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|