# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/721299c9-d75b-4618-ae23-e7fd6ff4ce38/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 BaH5BrO3 / P4/nmm (129) / materials id 642844](https://mdr.nims.go.jp/datasets/0de6501e-49e7-48c5-a976-216390f729e9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:04:19]-------------------------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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/nmm (129)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 4.541777800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.541777800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.50000000000000 0.81206783950321 137.327 2 Ba 0.50000000000000 0.00000000000000 0.18793216049679 137.327 *3 H 0.18402079828259 0.00000000000000 0.62729450172941 1.008 4 H 0.81597920171741 0.00000000000000 0.62729450172941 1.008 5 H 0.50000000000000 0.68402079828259 0.62729450172941 1.008 6 H 0.50000000000000 0.31597920171741 0.62729450172941 1.008 7 H 0.31597920171741 0.50000000000000 0.37270549827059 1.008 8 H 0.68402079828259 0.50000000000000 0.37270549827059 1.008 9 H 0.00000000000000 0.81597920171741 0.37270549827059 1.008 10 H 0.00000000000000 0.18402079828259 0.37270549827059 1.008 *11 H 0.50000000000000 0.00000000000000 0.49077639265775 1.008 12 H 0.00000000000000 0.50000000000000 0.50922360734225 1.008 *13 Br 0.50000000000000 0.00000000000000 0.90543590643083 79.904 14 Br 0.00000000000000 0.50000000000000 0.09456409356917 79.904 *15 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 16 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 17 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 18 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 *19 O 0.50000000000000 0.00000000000000 0.57309515440023 15.999 20 O 0.00000000000000 0.50000000000000 0.42690484559977 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.541777800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.541777800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.50000000000000 0.81206783950321 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.18793216049679 137.327 > 2 *3 H 0.18402079828259 0.00000000000000 0.62729450172941 1.008 > 3 4 H 0.81597920171741 0.00000000000000 0.62729450172941 1.008 > 4 5 H 0.50000000000000 0.68402079828259 0.62729450172941 1.008 > 5 6 H 0.50000000000000 0.31597920171741 0.62729450172941 1.008 > 6 7 H 0.31597920171741 0.50000000000000 0.37270549827059 1.008 > 7 8 H 0.68402079828259 0.50000000000000 0.37270549827059 1.008 > 8 9 H 0.00000000000000 0.81597920171741 0.37270549827059 1.008 > 9 10 H 0.00000000000000 0.18402079828259 0.37270549827059 1.008 > 10 *11 H 0.50000000000000 0.00000000000000 0.49077639265775 1.008 > 11 12 H 0.00000000000000 0.50000000000000 0.50922360734225 1.008 > 12 *13 Br 0.50000000000000 0.00000000000000 0.90543590643083 79.904 > 13 14 Br 0.00000000000000 0.50000000000000 0.09456409356917 79.904 > 14 *15 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 > 15 16 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 > 16 17 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 > 18 *19 O 0.50000000000000 0.00000000000000 0.57309515440023 15.999 > 19 20 O 0.00000000000000 0.50000000000000 0.42690484559977 15.999 > 20-------------------------------- super cell --------------------------------Lattice vectors: a 9.083555600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.083555600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): *1 Ba 0.00000000000000 0.25000000000000 0.81206783950321 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.81206783950321 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.81206783950321 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.81206783950321 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.18793216049679 137.327 > 2 6 Ba 0.75000000000000 0.00000000000000 0.18793216049679 137.327 > 2 7 Ba 0.25000000000000 0.50000000000000 0.18793216049679 137.327 > 2 8 Ba 0.75000000000000 0.50000000000000 0.18793216049679 137.327 > 2 *9 H 0.09201039914130 0.00000000000000 0.62729450172941 1.008 > 3 10 H 0.59201039914130 0.00000000000000 0.62729450172941 1.008 > 3 11 H 0.09201039914130 0.50000000000000 0.62729450172941 1.008 > 3 12 H 0.59201039914130 0.50000000000000 0.62729450172941 1.008 > 3 13 H 0.40798960085870 0.00000000000000 0.62729450172941 1.008 > 4 14 H 0.90798960085870 0.00000000000000 0.62729450172941 1.008 > 4 15 H 0.40798960085870 0.50000000000000 0.62729450172941 1.008 > 4 16 H 0.90798960085870 0.50000000000000 0.62729450172941 1.008 > 4 17 H 0.25000000000000 0.34201039914130 0.62729450172941 1.008 > 5 18 H 0.75000000000000 0.34201039914130 0.62729450172941 1.008 > 5 19 H 0.25000000000000 0.84201039914130 0.62729450172941 1.008 > 5 20 H 0.75000000000000 0.84201039914130 0.62729450172941 1.008 > 5 21 H 0.25000000000000 0.15798960085870 0.62729450172941 1.008 > 6 22 H 0.75000000000000 0.15798960085870 0.62729450172941 1.008 > 6 23 H 0.25000000000000 0.65798960085870 0.62729450172941 1.008 > 6 24 H 0.75000000000000 0.65798960085870 0.62729450172941 1.008 > 6 25 H 0.15798960085870 0.25000000000000 0.37270549827059 1.008 > 7 26 H 0.65798960085870 0.25000000000000 0.37270549827059 1.008 > 7 27 H 0.15798960085870 0.75000000000000 0.37270549827059 1.008 > 7 28 H 0.65798960085870 0.75000000000000 0.37270549827059 1.008 > 7 29 H 0.34201039914130 0.25000000000000 0.37270549827059 1.008 > 8 30 H 0.84201039914130 0.25000000000000 0.37270549827059 1.008 > 8 31 H 0.34201039914130 0.75000000000000 0.37270549827059 1.008 > 8 32 H 0.84201039914130 0.75000000000000 0.37270549827059 1.008 > 8 33 H 0.00000000000000 0.40798960085870 0.37270549827059 1.008 > 9 34 H 0.50000000000000 0.40798960085870 0.37270549827059 1.008 > 9 35 H 0.00000000000000 0.90798960085870 0.37270549827059 1.008 > 9 36 H 0.50000000000000 0.90798960085870 0.37270549827059 1.008 > 9 37 H 0.00000000000000 0.09201039914130 0.37270549827059 1.008 > 10 38 H 0.50000000000000 0.09201039914130 0.37270549827059 1.008 > 10 39 H 0.00000000000000 0.59201039914130 0.37270549827059 1.008 > 10 40 H 0.50000000000000 0.59201039914130 0.37270549827059 1.008 > 10 *41 H 0.25000000000000 0.00000000000000 0.49077639265775 1.008 > 11 42 H 0.75000000000000 0.00000000000000 0.49077639265775 1.008 > 11 43 H 0.25000000000000 0.50000000000000 0.49077639265775 1.008 > 11 44 H 0.75000000000000 0.50000000000000 0.49077639265775 1.008 > 11 45 H 0.00000000000000 0.25000000000000 0.50922360734225 1.008 > 12 46 H 0.50000000000000 0.25000000000000 0.50922360734225 1.008 > 12 47 H 0.00000000000000 0.75000000000000 0.50922360734225 1.008 > 12 48 H 0.50000000000000 0.75000000000000 0.50922360734225 1.008 > 12 *49 Br 0.25000000000000 0.00000000000000 0.90543590643083 79.904 > 13 50 Br 0.75000000000000 0.00000000000000 0.90543590643083 79.904 > 13 51 Br 0.25000000000000 0.50000000000000 0.90543590643083 79.904 > 13 52 Br 0.75000000000000 0.50000000000000 0.90543590643083 79.904 > 13 53 Br 0.00000000000000 0.25000000000000 0.09456409356917 79.904 > 14 54 Br 0.50000000000000 0.25000000000000 0.09456409356917 79.904 > 14 55 Br 0.00000000000000 0.75000000000000 0.09456409356917 79.904 > 14 56 Br 0.50000000000000 0.75000000000000 0.09456409356917 79.904 > 14 *57 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 > 15 58 O 0.50000000000000 0.00000000000000 0.67748620553719 15.999 > 15 59 O 0.00000000000000 0.50000000000000 0.67748620553719 15.999 > 15 60 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 > 15 61 O 0.25000000000000 0.25000000000000 0.67748620553719 15.999 > 16 62 O 0.75000000000000 0.25000000000000 0.67748620553719 15.999 > 16 63 O 0.25000000000000 0.75000000000000 0.67748620553719 15.999 > 16 64 O 0.75000000000000 0.75000000000000 0.67748620553719 15.999 > 16 65 O 0.25000000000000 0.25000000000000 0.32251379446281 15.999 > 17 66 O 0.75000000000000 0.25000000000000 0.32251379446281 15.999 > 17 67 O 0.25000000000000 0.75000000000000 0.32251379446281 15.999 > 17 68 O 0.75000000000000 0.75000000000000 0.32251379446281 15.999 > 17 69 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 > 18 70 O 0.50000000000000 0.00000000000000 0.32251379446281 15.999 > 18 71 O 0.00000000000000 0.50000000000000 0.32251379446281 15.999 > 18 72 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 > 18 *73 O 0.25000000000000 0.00000000000000 0.57309515440023 15.999 > 19 74 O 0.75000000000000 0.00000000000000 0.57309515440023 15.999 > 19 75 O 0.25000000000000 0.50000000000000 0.57309515440023 15.999 > 19 76 O 0.75000000000000 0.50000000000000 0.57309515440023 15.999 > 19 77 O 0.00000000000000 0.25000000000000 0.42690484559977 15.999 > 20 78 O 0.50000000000000 0.25000000000000 0.42690484559977 15.999 > 20 79 O 0.00000000000000 0.75000000000000 0.42690484559977 15.999 > 20 80 O 0.50000000000000 0.75000000000000 0.42690484559977 15.999 > 20----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.1179268 0.0000000 0.0000000 0.0000000 3.1179268 0.0000000 0.0000000 0.0000000 2.8861475-------------------------- Born effective charges -------------------------- 1 Ba 2.6219389 0.0000000 0.0000000 0.0000000 2.6219389 0.0000000 0.0000000 0.0000000 2.3352134 2 Ba 2.6219389 0.0000000 0.0000000 0.0000000 2.6219389 0.0000000 0.0000000 0.0000000 2.3352134 3 H 1.3535407 0.0000000 -0.5989386 0.0000000 0.3156147 0.0000000 -0.5817677 0.0000000 0.5588339 4 H 1.3535407 0.0000000 0.5989386 0.0000000 0.3156147 0.0000000 0.5817677 0.0000000 0.5588339 5 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 -0.5989386 0.0000000 -0.5817677 0.5588339 6 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 0.5989386 0.0000000 0.5817677 0.5588339 7 H 1.3535407 0.0000000 -0.5989386 0.0000000 0.3156147 0.0000000 -0.5817677 0.0000000 0.5588339 8 H 1.3535407 0.0000000 0.5989386 0.0000000 0.3156147 0.0000000 0.5817677 0.0000000 0.5588339 9 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 -0.5989386 0.0000000 -0.5817677 0.5588339 10 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 0.5989386 0.0000000 0.5817677 0.5588339 11 H 0.3496702 0.0000000 0.0000000 0.0000000 0.3496702 0.0000000 0.0000000 0.0000000 0.2687278 12 H 0.3496702 0.0000000 0.0000000 0.0000000 0.3496702 0.0000000 0.0000000 0.0000000 0.2687278 13 Br -1.3076988 0.0000000 0.0000000 0.0000000 -1.3076988 0.0000000 0.0000000 0.0000000 -0.9413929 14 Br -1.3076988 0.0000000 0.0000000 0.0000000 -1.3076988 0.0000000 0.0000000 0.0000000 -0.9413929 15 O -1.9477671 0.0000000 0.0000000 0.0000000 -1.3174036 0.0000000 0.0000000 0.0000000 -1.3362345 16 O -1.3174036 0.0000000 0.0000000 0.0000000 -1.9477671 0.0000000 0.0000000 0.0000000 -1.3362345 17 O -1.9477671 0.0000000 0.0000000 0.0000000 -1.3174036 0.0000000 0.0000000 0.0000000 -1.3362345 18 O -1.3174036 0.0000000 0.0000000 0.0000000 -1.9477671 0.0000000 0.0000000 0.0000000 -1.3362345 19 O -1.7370504 0.0000000 0.0000000 0.0000000 -1.7370504 0.0000000 0.0000000 0.0000000 -1.2254149 20 O -1.7370504 0.0000000 0.0000000 0.0000000 -1.7370504 0.0000000 0.0000000 0.0000000 -1.2254149----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 550Number of blocks in projector: 554Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 199Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 118Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 53Use standard eigh solver.Tree of FC basis block matrices:- (550, 534), data: False|-- (53, 53), data: True|-- (118, 112), data: True|-- (180, 178), data: True|-- (199, 191), data: True-----Solver_atoms: 1 -- 80 / 80Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 160 - Time: 0.349Solver_block: 160 / 160 - Time: 0.216Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.573--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 550Number of blocks in projector: 554Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 199Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 180Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 118Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 53Use standard eigh solver.Tree of FC basis block matrices:- (550, 534), data: False|-- (53, 53), data: True|-- (118, 112), data: True|-- (180, 178), data: True|-- (199, 191), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:04:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:04:25]-------------------------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 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/nmm (129)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.541777800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.541777800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.50000000000000 0.81206783950321 137.327 2 Ba 0.50000000000000 0.00000000000000 0.18793216049679 137.327 3 H 0.18402079828259 0.00000000000000 0.62729450172941 1.008 4 H 0.81597920171741 0.00000000000000 0.62729450172941 1.008 5 H 0.50000000000000 0.68402079828259 0.62729450172941 1.008 6 H 0.50000000000000 0.31597920171741 0.62729450172941 1.008 7 H 0.31597920171741 0.50000000000000 0.37270549827059 1.008 8 H 0.68402079828259 0.50000000000000 0.37270549827059 1.008 9 H 0.00000000000000 0.81597920171741 0.37270549827059 1.008 10 H 0.00000000000000 0.18402079828259 0.37270549827059 1.008 11 H 0.50000000000000 0.00000000000000 0.49077639265775 1.008 12 H 0.00000000000000 0.50000000000000 0.50922360734225 1.008 13 Br 0.50000000000000 0.00000000000000 0.90543590643083 79.904 14 Br 0.00000000000000 0.50000000000000 0.09456409356917 79.904 15 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 16 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 17 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 18 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 19 O 0.50000000000000 0.00000000000000 0.57309515440023 15.999 20 O 0.00000000000000 0.50000000000000 0.42690484559977 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.083555600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.083555600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.25000000000000 0.81206783950321 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.81206783950321 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.81206783950321 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.81206783950321 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.18793216049679 137.327 > 5 6 Ba 0.75000000000000 0.00000000000000 0.18793216049679 137.327 > 5 7 Ba 0.25000000000000 0.50000000000000 0.18793216049679 137.327 > 5 8 Ba 0.75000000000000 0.50000000000000 0.18793216049679 137.327 > 5 9 H 0.09201039914130 0.00000000000000 0.62729450172941 1.008 > 9 10 H 0.59201039914130 0.00000000000000 0.62729450172941 1.008 > 9 11 H 0.09201039914130 0.50000000000000 0.62729450172941 1.008 > 9 12 H 0.59201039914130 0.50000000000000 0.62729450172941 1.008 > 9 13 H 0.40798960085870 0.00000000000000 0.62729450172941 1.008 > 13 14 H 0.90798960085870 0.00000000000000 0.62729450172941 1.008 > 13 15 H 0.40798960085870 0.50000000000000 0.62729450172941 1.008 > 13 16 H 0.90798960085870 0.50000000000000 0.62729450172941 1.008 > 13 17 H 0.25000000000000 0.34201039914130 0.62729450172941 1.008 > 17 18 H 0.75000000000000 0.34201039914130 0.62729450172941 1.008 > 17 19 H 0.25000000000000 0.84201039914130 0.62729450172941 1.008 > 17 20 H 0.75000000000000 0.84201039914130 0.62729450172941 1.008 > 17 21 H 0.25000000000000 0.15798960085870 0.62729450172941 1.008 > 21 22 H 0.75000000000000 0.15798960085870 0.62729450172941 1.008 > 21 23 H 0.25000000000000 0.65798960085870 0.62729450172941 1.008 > 21 24 H 0.75000000000000 0.65798960085870 0.62729450172941 1.008 > 21 25 H 0.15798960085870 0.25000000000000 0.37270549827059 1.008 > 25 26 H 0.65798960085870 0.25000000000000 0.37270549827059 1.008 > 25 27 H 0.15798960085870 0.75000000000000 0.37270549827059 1.008 > 25 28 H 0.65798960085870 0.75000000000000 0.37270549827059 1.008 > 25 29 H 0.34201039914130 0.25000000000000 0.37270549827059 1.008 > 29 30 H 0.84201039914130 0.25000000000000 0.37270549827059 1.008 > 29 31 H 0.34201039914130 0.75000000000000 0.37270549827059 1.008 > 29 32 H 0.84201039914130 0.75000000000000 0.37270549827059 1.008 > 29 33 H 0.00000000000000 0.40798960085870 0.37270549827059 1.008 > 33 34 H 0.50000000000000 0.40798960085870 0.37270549827059 1.008 > 33 35 H 0.00000000000000 0.90798960085870 0.37270549827059 1.008 > 33 36 H 0.50000000000000 0.90798960085870 0.37270549827059 1.008 > 33 37 H 0.00000000000000 0.09201039914130 0.37270549827059 1.008 > 37 38 H 0.50000000000000 0.09201039914130 0.37270549827059 1.008 > 37 39 H 0.00000000000000 0.59201039914130 0.37270549827059 1.008 > 37 40 H 0.50000000000000 0.59201039914130 0.37270549827059 1.008 > 37 41 H 0.25000000000000 0.00000000000000 0.49077639265775 1.008 > 41 42 H 0.75000000000000 0.00000000000000 0.49077639265775 1.008 > 41 43 H 0.25000000000000 0.50000000000000 0.49077639265775 1.008 > 41 44 H 0.75000000000000 0.50000000000000 0.49077639265775 1.008 > 41 45 H 0.00000000000000 0.25000000000000 0.50922360734225 1.008 > 45 46 H 0.50000000000000 0.25000000000000 0.50922360734225 1.008 > 45 47 H 0.00000000000000 0.75000000000000 0.50922360734225 1.008 > 45 48 H 0.50000000000000 0.75000000000000 0.50922360734225 1.008 > 45 49 Br 0.25000000000000 0.00000000000000 0.90543590643083 79.904 > 49 50 Br 0.75000000000000 0.00000000000000 0.90543590643083 79.904 > 49 51 Br 0.25000000000000 0.50000000000000 0.90543590643083 79.904 > 49 52 Br 0.75000000000000 0.50000000000000 0.90543590643083 79.904 > 49 53 Br 0.00000000000000 0.25000000000000 0.09456409356917 79.904 > 53 54 Br 0.50000000000000 0.25000000000000 0.09456409356917 79.904 > 53 55 Br 0.00000000000000 0.75000000000000 0.09456409356917 79.904 > 53 56 Br 0.50000000000000 0.75000000000000 0.09456409356917 79.904 > 53 57 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 > 57 58 O 0.50000000000000 0.00000000000000 0.67748620553719 15.999 > 57 59 O 0.00000000000000 0.50000000000000 0.67748620553719 15.999 > 57 60 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 > 57 61 O 0.25000000000000 0.25000000000000 0.67748620553719 15.999 > 61 62 O 0.75000000000000 0.25000000000000 0.67748620553719 15.999 > 61 63 O 0.25000000000000 0.75000000000000 0.67748620553719 15.999 > 61 64 O 0.75000000000000 0.75000000000000 0.67748620553719 15.999 > 61 65 O 0.25000000000000 0.25000000000000 0.32251379446281 15.999 > 65 66 O 0.75000000000000 0.25000000000000 0.32251379446281 15.999 > 65 67 O 0.25000000000000 0.75000000000000 0.32251379446281 15.999 > 65 68 O 0.75000000000000 0.75000000000000 0.32251379446281 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.32251379446281 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.32251379446281 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 > 69 73 O 0.25000000000000 0.00000000000000 0.57309515440023 15.999 > 73 74 O 0.75000000000000 0.00000000000000 0.57309515440023 15.999 > 73 75 O 0.25000000000000 0.50000000000000 0.57309515440023 15.999 > 73 76 O 0.75000000000000 0.50000000000000 0.57309515440023 15.999 > 73 77 O 0.00000000000000 0.25000000000000 0.42690484559977 15.999 > 77 78 O 0.50000000000000 0.25000000000000 0.42690484559977 15.999 > 77 79 O 0.00000000000000 0.75000000000000 0.42690484559977 15.999 > 77 80 O 0.50000000000000 0.75000000000000 0.42690484559977 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.1179268 0.0000000 0.0000000 0.0000000 3.1179268 0.0000000 0.0000000 0.0000000 2.8861475-------------------------- Born effective charges -------------------------- 1 Ba 2.6219389 0.0000000 0.0000000 0.0000000 2.6219389 0.0000000 0.0000000 0.0000000 2.3352134 2 Ba 2.6219389 0.0000000 0.0000000 0.0000000 2.6219389 0.0000000 0.0000000 0.0000000 2.3352134 3 H 1.3535407 0.0000000 -0.5989386 0.0000000 0.3156147 0.0000000 -0.5817677 0.0000000 0.5588339 4 H 1.3535407 0.0000000 0.5989386 0.0000000 0.3156147 0.0000000 0.5817677 0.0000000 0.5588339 5 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 -0.5989386 0.0000000 -0.5817677 0.5588339 6 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 0.5989386 0.0000000 0.5817677 0.5588339 7 H 1.3535407 0.0000000 -0.5989386 0.0000000 0.3156147 0.0000000 -0.5817677 0.0000000 0.5588339 8 H 1.3535407 0.0000000 0.5989386 0.0000000 0.3156147 0.0000000 0.5817677 0.0000000 0.5588339 9 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 -0.5989386 0.0000000 -0.5817677 0.5588339 10 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 0.5989386 0.0000000 0.5817677 0.5588339 11 H 0.3496702 0.0000000 0.0000000 0.0000000 0.3496702 0.0000000 0.0000000 0.0000000 0.2687278 12 H 0.3496702 0.0000000 0.0000000 0.0000000 0.3496702 0.0000000 0.0000000 0.0000000 0.2687278 13 Br -1.3076988 0.0000000 0.0000000 0.0000000 -1.3076988 0.0000000 0.0000000 0.0000000 -0.9413929 14 Br -1.3076988 0.0000000 0.0000000 0.0000000 -1.3076988 0.0000000 0.0000000 0.0000000 -0.9413929 15 O -1.9477671 0.0000000 0.0000000 0.0000000 -1.3174036 0.0000000 0.0000000 0.0000000 -1.3362345 16 O -1.3174036 0.0000000 0.0000000 0.0000000 -1.9477671 0.0000000 0.0000000 0.0000000 -1.3362345 17 O -1.9477671 0.0000000 0.0000000 0.0000000 -1.3174036 0.0000000 0.0000000 0.0000000 -1.3362345 18 O -1.3174036 0.0000000 0.0000000 0.0000000 -1.9477671 0.0000000 0.0000000 0.0000000 -1.3362345 19 O -1.7370504 0.0000000 0.0000000 0.0000000 -1.7370504 0.0000000 0.0000000 0.0000000 -1.2254149 20 O -1.7370504 0.0000000 0.0000000 0.0000000 -1.7370504 0.0000000 0.0000000 0.0000000 -1.2254149----------------------------------------------------------------------------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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000056 (zzz) 0.00000056 (zzz) 0.00000056 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000004 (zx) 0.00000004 (zx) 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 21:04:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:04:33]-------------------------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 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/nmm (129)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.541777800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.541777800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.50000000000000 0.81206783950321 137.327 2 Ba 0.50000000000000 0.00000000000000 0.18793216049679 137.327 3 H 0.18402079828259 0.00000000000000 0.62729450172941 1.008 4 H 0.81597920171741 0.00000000000000 0.62729450172941 1.008 5 H 0.50000000000000 0.68402079828259 0.62729450172941 1.008 6 H 0.50000000000000 0.31597920171741 0.62729450172941 1.008 7 H 0.31597920171741 0.50000000000000 0.37270549827059 1.008 8 H 0.68402079828259 0.50000000000000 0.37270549827059 1.008 9 H 0.00000000000000 0.81597920171741 0.37270549827059 1.008 10 H 0.00000000000000 0.18402079828259 0.37270549827059 1.008 11 H 0.50000000000000 0.00000000000000 0.49077639265775 1.008 12 H 0.00000000000000 0.50000000000000 0.50922360734225 1.008 13 Br 0.50000000000000 0.00000000000000 0.90543590643083 79.904 14 Br 0.00000000000000 0.50000000000000 0.09456409356917 79.904 15 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 16 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 17 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 18 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 19 O 0.50000000000000 0.00000000000000 0.57309515440023 15.999 20 O 0.00000000000000 0.50000000000000 0.42690484559977 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.083555600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.083555600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.841261480000000Atomic positions (fractional): 1 Ba 0.00000000000000 0.25000000000000 0.81206783950321 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.81206783950321 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.81206783950321 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.81206783950321 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.18793216049679 137.327 > 5 6 Ba 0.75000000000000 0.00000000000000 0.18793216049679 137.327 > 5 7 Ba 0.25000000000000 0.50000000000000 0.18793216049679 137.327 > 5 8 Ba 0.75000000000000 0.50000000000000 0.18793216049679 137.327 > 5 9 H 0.09201039914130 0.00000000000000 0.62729450172941 1.008 > 9 10 H 0.59201039914130 0.00000000000000 0.62729450172941 1.008 > 9 11 H 0.09201039914130 0.50000000000000 0.62729450172941 1.008 > 9 12 H 0.59201039914130 0.50000000000000 0.62729450172941 1.008 > 9 13 H 0.40798960085870 0.00000000000000 0.62729450172941 1.008 > 13 14 H 0.90798960085870 0.00000000000000 0.62729450172941 1.008 > 13 15 H 0.40798960085870 0.50000000000000 0.62729450172941 1.008 > 13 16 H 0.90798960085870 0.50000000000000 0.62729450172941 1.008 > 13 17 H 0.25000000000000 0.34201039914130 0.62729450172941 1.008 > 17 18 H 0.75000000000000 0.34201039914130 0.62729450172941 1.008 > 17 19 H 0.25000000000000 0.84201039914130 0.62729450172941 1.008 > 17 20 H 0.75000000000000 0.84201039914130 0.62729450172941 1.008 > 17 21 H 0.25000000000000 0.15798960085870 0.62729450172941 1.008 > 21 22 H 0.75000000000000 0.15798960085870 0.62729450172941 1.008 > 21 23 H 0.25000000000000 0.65798960085870 0.62729450172941 1.008 > 21 24 H 0.75000000000000 0.65798960085870 0.62729450172941 1.008 > 21 25 H 0.15798960085870 0.25000000000000 0.37270549827059 1.008 > 25 26 H 0.65798960085870 0.25000000000000 0.37270549827059 1.008 > 25 27 H 0.15798960085870 0.75000000000000 0.37270549827059 1.008 > 25 28 H 0.65798960085870 0.75000000000000 0.37270549827059 1.008 > 25 29 H 0.34201039914130 0.25000000000000 0.37270549827059 1.008 > 29 30 H 0.84201039914130 0.25000000000000 0.37270549827059 1.008 > 29 31 H 0.34201039914130 0.75000000000000 0.37270549827059 1.008 > 29 32 H 0.84201039914130 0.75000000000000 0.37270549827059 1.008 > 29 33 H 0.00000000000000 0.40798960085870 0.37270549827059 1.008 > 33 34 H 0.50000000000000 0.40798960085870 0.37270549827059 1.008 > 33 35 H 0.00000000000000 0.90798960085870 0.37270549827059 1.008 > 33 36 H 0.50000000000000 0.90798960085870 0.37270549827059 1.008 > 33 37 H 0.00000000000000 0.09201039914130 0.37270549827059 1.008 > 37 38 H 0.50000000000000 0.09201039914130 0.37270549827059 1.008 > 37 39 H 0.00000000000000 0.59201039914130 0.37270549827059 1.008 > 37 40 H 0.50000000000000 0.59201039914130 0.37270549827059 1.008 > 37 41 H 0.25000000000000 0.00000000000000 0.49077639265775 1.008 > 41 42 H 0.75000000000000 0.00000000000000 0.49077639265775 1.008 > 41 43 H 0.25000000000000 0.50000000000000 0.49077639265775 1.008 > 41 44 H 0.75000000000000 0.50000000000000 0.49077639265775 1.008 > 41 45 H 0.00000000000000 0.25000000000000 0.50922360734225 1.008 > 45 46 H 0.50000000000000 0.25000000000000 0.50922360734225 1.008 > 45 47 H 0.00000000000000 0.75000000000000 0.50922360734225 1.008 > 45 48 H 0.50000000000000 0.75000000000000 0.50922360734225 1.008 > 45 49 Br 0.25000000000000 0.00000000000000 0.90543590643083 79.904 > 49 50 Br 0.75000000000000 0.00000000000000 0.90543590643083 79.904 > 49 51 Br 0.25000000000000 0.50000000000000 0.90543590643083 79.904 > 49 52 Br 0.75000000000000 0.50000000000000 0.90543590643083 79.904 > 49 53 Br 0.00000000000000 0.25000000000000 0.09456409356917 79.904 > 53 54 Br 0.50000000000000 0.25000000000000 0.09456409356917 79.904 > 53 55 Br 0.00000000000000 0.75000000000000 0.09456409356917 79.904 > 53 56 Br 0.50000000000000 0.75000000000000 0.09456409356917 79.904 > 53 57 O 0.00000000000000 0.00000000000000 0.67748620553719 15.999 > 57 58 O 0.50000000000000 0.00000000000000 0.67748620553719 15.999 > 57 59 O 0.00000000000000 0.50000000000000 0.67748620553719 15.999 > 57 60 O 0.50000000000000 0.50000000000000 0.67748620553719 15.999 > 57 61 O 0.25000000000000 0.25000000000000 0.67748620553719 15.999 > 61 62 O 0.75000000000000 0.25000000000000 0.67748620553719 15.999 > 61 63 O 0.25000000000000 0.75000000000000 0.67748620553719 15.999 > 61 64 O 0.75000000000000 0.75000000000000 0.67748620553719 15.999 > 61 65 O 0.25000000000000 0.25000000000000 0.32251379446281 15.999 > 65 66 O 0.75000000000000 0.25000000000000 0.32251379446281 15.999 > 65 67 O 0.25000000000000 0.75000000000000 0.32251379446281 15.999 > 65 68 O 0.75000000000000 0.75000000000000 0.32251379446281 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.32251379446281 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.32251379446281 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.32251379446281 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.32251379446281 15.999 > 69 73 O 0.25000000000000 0.00000000000000 0.57309515440023 15.999 > 73 74 O 0.75000000000000 0.00000000000000 0.57309515440023 15.999 > 73 75 O 0.25000000000000 0.50000000000000 0.57309515440023 15.999 > 73 76 O 0.75000000000000 0.50000000000000 0.57309515440023 15.999 > 73 77 O 0.00000000000000 0.25000000000000 0.42690484559977 15.999 > 77 78 O 0.50000000000000 0.25000000000000 0.42690484559977 15.999 > 77 79 O 0.00000000000000 0.75000000000000 0.42690484559977 15.999 > 77 80 O 0.50000000000000 0.75000000000000 0.42690484559977 15.999 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.1179268 0.0000000 0.0000000 0.0000000 3.1179268 0.0000000 0.0000000 0.0000000 2.8861475-------------------------- Born effective charges -------------------------- 1 Ba 2.6219389 0.0000000 0.0000000 0.0000000 2.6219389 0.0000000 0.0000000 0.0000000 2.3352134 2 Ba 2.6219389 0.0000000 0.0000000 0.0000000 2.6219389 0.0000000 0.0000000 0.0000000 2.3352134 3 H 1.3535407 0.0000000 -0.5989386 0.0000000 0.3156147 0.0000000 -0.5817677 0.0000000 0.5588339 4 H 1.3535407 0.0000000 0.5989386 0.0000000 0.3156147 0.0000000 0.5817677 0.0000000 0.5588339 5 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 -0.5989386 0.0000000 -0.5817677 0.5588339 6 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 0.5989386 0.0000000 0.5817677 0.5588339 7 H 1.3535407 0.0000000 -0.5989386 0.0000000 0.3156147 0.0000000 -0.5817677 0.0000000 0.5588339 8 H 1.3535407 0.0000000 0.5989386 0.0000000 0.3156147 0.0000000 0.5817677 0.0000000 0.5588339 9 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 -0.5989386 0.0000000 -0.5817677 0.5588339 10 H 0.3156147 0.0000000 0.0000000 0.0000000 1.3535407 0.5989386 0.0000000 0.5817677 0.5588339 11 H 0.3496702 0.0000000 0.0000000 0.0000000 0.3496702 0.0000000 0.0000000 0.0000000 0.2687278 12 H 0.3496702 0.0000000 0.0000000 0.0000000 0.3496702 0.0000000 0.0000000 0.0000000 0.2687278 13 Br -1.3076988 0.0000000 0.0000000 0.0000000 -1.3076988 0.0000000 0.0000000 0.0000000 -0.9413929 14 Br -1.3076988 0.0000000 0.0000000 0.0000000 -1.3076988 0.0000000 0.0000000 0.0000000 -0.9413929 15 O -1.9477671 0.0000000 0.0000000 0.0000000 -1.3174036 0.0000000 0.0000000 0.0000000 -1.3362345 16 O -1.3174036 0.0000000 0.0000000 0.0000000 -1.9477671 0.0000000 0.0000000 0.0000000 -1.3362345 17 O -1.9477671 0.0000000 0.0000000 0.0000000 -1.3174036 0.0000000 0.0000000 0.0000000 -1.3362345 18 O -1.3174036 0.0000000 0.0000000 0.0000000 -1.9477671 0.0000000 0.0000000 0.0000000 -1.3362345 19 O -1.7370504 0.0000000 0.0000000 0.0000000 -1.7370504 0.0000000 0.0000000 0.0000000 -1.2254149 20 O -1.7370504 0.0000000 0.0000000 0.0000000 -1.7370504 0.0000000 0.0000000 0.0000000 -1.2254149----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000056 (zzz) 0.00000056 (zzz) 0.00000056 (zzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 11 11 4 ]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: 0.66, Number of G-points: 283, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/63) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63Calculating 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 0.822 ( 0.000 0.000 0.000) 0.000 0.822 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.571 ( -0.000 0.000 -0.000) 0.000 2.571 ( -0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 -0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 -0.000 0.000) 0.000 3.598 ( -0.000 0.000 -0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.833 ( -0.000 0.000 -0.000) 0.000 6.020 ( 0.000 0.000 -0.000) 0.000 6.020 ( -0.000 0.000 -0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 -0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 -0.000) 0.000 9.510 ( 0.000 0.000 -0.000) 0.000 9.584 ( -0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 11.689 ( -0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 -0.000) 0.000 13.806 ( 0.000 0.000 -0.000) 0.000 13.806 ( -0.000 -0.000 -0.000) 0.000 15.212 ( -0.000 0.000 -0.000) 0.000 15.212 ( -0.000 -0.000 -0.000) 0.000 26.622 ( 0.000 0.000 -0.000) 0.000 26.632 ( 0.000 0.000 -0.000) 0.000 27.247 ( 0.000 0.000 -0.000) 0.000 27.247 ( 0.000 0.000 -0.000) 0.000 29.167 ( -0.000 0.000 0.000) 0.000 29.167 ( 0.000 -0.000 0.000) 0.000 30.164 ( 0.000 0.000 0.000) 0.000 30.164 ( -0.000 0.000 0.000) 0.000 31.141 ( -0.000 0.000 0.000) 0.000 31.141 ( 0.000 0.000 0.000) 0.000 35.199 ( -0.000 0.000 -0.000) 0.000 35.461 ( 0.000 0.000 0.000) 0.000 45.956 ( 0.000 0.000 0.000) 0.000 46.571 ( -0.000 0.000 0.000) 0.000 49.321 ( -0.000 0.000 0.000) 0.000 49.453 ( 0.000 -0.000 -0.000) 0.000 78.823 ( 0.000 0.000 0.000) 0.000 78.823 ( 0.000 0.000 0.000) 0.000 78.827 ( 0.000 0.000 0.000) 0.000 78.827 ( 0.000 0.000 0.000) 0.000 81.128 ( 0.000 0.000 0.000) 0.000 81.168 ( -0.000 0.000 0.000) 0.000 89.554 ( 0.000 0.000 0.000) 0.000 90.156 ( 0.000 -0.000 0.000) 0.000 112.207 ( 0.000 0.000 0.000) 0.000 112.235 ( -0.000 0.000 -0.000) 0.000======================= Grid point 1 (2/63) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.236 ( 13.716 0.000 0.000) 13.716 0.462 ( 22.831 0.000 0.000) 22.831 0.803 ( 31.794 0.000 0.000) 31.794 0.925 ( 9.646 0.000 0.000) 9.646 1.223 ( 30.641 0.000 0.000) 30.641 2.047 ( 2.349 0.000 0.000) 2.349 2.588 ( 1.440 0.000 0.000) 1.440 2.768 ( 4.809 0.000 0.000) 4.809 2.899 ( -1.615 0.000 0.000) 1.615 2.906 ( -0.685 0.000 0.000) 0.685 3.069 ( 4.924 0.000 0.000) 4.924 3.281 ( -0.165 0.000 0.000) 0.165 3.390 ( -0.985 0.000 0.000) 0.985 3.592 ( -0.616 0.000 0.000) 0.616 3.927 ( 29.905 0.000 0.000) 29.905 4.088 ( 17.015 0.000 0.000) 17.015 5.021 ( -9.028 0.000 0.000) 9.028 5.670 ( -26.300 0.000 0.000) 26.300 5.838 ( 0.588 0.000 0.000) 0.588 6.018 ( -0.158 0.000 0.000) 0.158 6.055 ( 2.961 0.000 0.000) 2.961 6.311 ( 5.069 0.000 0.000) 5.069 7.407 ( -2.266 0.000 0.000) 2.266 7.410 ( -4.188 0.000 0.000) 4.188 9.502 ( -0.822 0.000 0.000) 0.822 9.573 ( -1.084 0.000 0.000) 1.084 9.734 ( 20.216 0.000 0.000) 20.216 10.632 ( 18.052 0.000 0.000) 18.052 11.572 ( -10.653 0.000 0.000) 10.653 11.778 ( -13.467 0.000 0.000) 13.467 13.837 ( 3.088 0.000 0.000) 3.088 14.612 ( 32.319 0.000 0.000) 32.319 15.186 ( -2.571 0.000 0.000) 2.571 15.477 ( 25.241 0.000 0.000) 25.241 26.571 ( -4.596 0.000 0.000) 4.596 26.592 ( -3.786 0.000 0.000) 3.786 27.304 ( 5.237 0.000 0.000) 5.237 28.617 ( 4.530 0.000 0.000) 4.530 29.136 ( -3.345 0.000 0.000) 3.345 29.143 ( -3.185 0.000 0.000) 3.185 30.108 ( -4.694 0.000 0.000) 4.694 30.252 ( 8.853 0.000 0.000) 8.853 31.041 ( -9.820 0.000 0.000) 9.820 31.206 ( 6.377 0.000 0.000) 6.377 35.175 ( -2.352 0.000 0.000) 2.352 35.412 ( -4.810 0.000 0.000) 4.810 46.024 ( 6.695 0.000 0.000) 6.695 46.671 ( 9.788 0.000 0.000) 9.788 49.243 ( -7.668 0.000 0.000) 7.668 49.422 ( -3.097 0.000 0.000) 3.097 78.823 ( 0.069 0.000 0.000) 0.069 78.828 ( 0.081 0.000 0.000) 0.081 79.139 ( 29.590 0.000 0.000) 29.590 81.135 ( -2.720 0.000 0.000) 2.720 81.150 ( 2.234 0.000 0.000) 2.234 82.031 ( 7.951 0.000 0.000) 7.951 89.468 ( -7.650 0.000 0.000) 7.650 90.147 ( -0.890 0.000 0.000) 0.890 112.203 ( -0.351 0.000 0.000) 0.351 112.232 ( -0.222 0.000 0.000) 0.222======================= Grid point 2 (3/63) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( 17.679 0.000 0.000) 17.679 0.909 ( 21.646 0.000 0.000) 21.646 1.171 ( 14.088 0.000 0.000) 14.088 1.202 ( 9.999 0.000 0.000) 9.999 1.814 ( 26.031 0.000 0.000) 26.031 2.203 ( 11.765 0.000 0.000) 11.765 2.616 ( 0.943 0.000 0.000) 0.943 2.786 ( -0.803 0.000 0.000) 0.803 2.854 ( -2.378 0.000 0.000) 2.378 2.877 ( -2.430 0.000 0.000) 2.430 3.245 ( 9.500 0.000 0.000) 9.500 3.284 ( 0.672 0.000 0.000) 0.672 3.370 ( -1.207 0.000 0.000) 1.207 3.577 ( -0.771 0.000 0.000) 0.771 4.511 ( 21.798 0.000 0.000) 21.798 4.637 ( 31.812 0.000 0.000) 31.812 4.833 ( -3.530 0.000 0.000) 3.530 5.132 ( -25.279 0.000 0.000) 25.279 5.856 ( 1.105 0.000 0.000) 1.105 6.013 ( -0.333 0.000 0.000) 0.333 6.113 ( 2.409 0.000 0.000) 2.409 6.362 ( 1.587 0.000 0.000) 1.587 7.373 ( 2.327 0.000 0.000) 2.327 7.394 ( 2.134 0.000 0.000) 2.134 9.479 ( -1.361 0.000 0.000) 1.361 9.543 ( -1.887 0.000 0.000) 1.887 10.201 ( 23.435 0.000 0.000) 23.435 11.010 ( 15.059 0.000 0.000) 15.059 11.328 ( -11.854 0.000 0.000) 11.854 11.501 ( -10.834 0.000 0.000) 10.834 13.927 ( 5.863 0.000 0.000) 5.863 15.110 ( -4.992 0.000 0.000) 4.992 15.422 ( 45.874 0.000 0.000) 45.874 16.143 ( 39.107 0.000 0.000) 39.107 26.462 ( -5.818 0.000 0.000) 5.818 26.494 ( -5.610 0.000 0.000) 5.610 27.438 ( 7.890 0.000 0.000) 7.890 28.705 ( 3.010 0.000 0.000) 3.010 28.992 ( -12.837 0.000 0.000) 12.837 29.025 ( -7.788 0.000 0.000) 7.788 30.029 ( -2.026 0.000 0.000) 2.026 30.511 ( 16.599 0.000 0.000) 16.599 30.777 ( -15.474 0.000 0.000) 15.474 31.382 ( 10.609 0.000 0.000) 10.609 35.105 ( -4.576 0.000 0.000) 4.576 35.274 ( -8.652 0.000 0.000) 8.652 46.220 ( 12.730 0.000 0.000) 12.730 46.947 ( 17.299 0.000 0.000) 17.299 49.024 ( -13.890 0.000 0.000) 13.890 49.328 ( -6.295 0.000 0.000) 6.295 78.825 ( 0.128 0.000 0.000) 0.128 78.830 ( 0.128 0.000 0.000) 0.128 79.875 ( 40.072 0.000 0.000) 40.072 81.083 ( -2.178 0.000 0.000) 2.178 81.223 ( 5.294 0.000 0.000) 5.294 82.209 ( 8.682 0.000 0.000) 8.682 89.310 ( -6.437 0.000 0.000) 6.437 90.124 ( -1.324 0.000 0.000) 1.324 112.195 ( -0.418 0.000 0.000) 0.418 112.226 ( -0.401 0.000 0.000) 0.401======================= Grid point 3 (4/63) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 19.965 0.000 0.000) 19.965 1.324 ( 19.694 0.000 0.000) 19.694 1.353 ( 7.926 0.000 0.000) 7.926 1.464 ( 14.740 0.000 0.000) 14.740 2.221 ( 14.270 0.000 0.000) 14.270 2.389 ( 4.450 0.000 0.000) 4.450 2.608 ( -1.972 0.000 0.000) 1.972 2.801 ( -5.322 0.000 0.000) 5.322 2.821 ( 5.301 0.000 0.000) 5.301 2.823 ( -0.413 0.000 0.000) 0.413 3.316 ( 2.588 0.000 0.000) 2.588 3.341 ( -1.568 0.000 0.000) 1.568 3.368 ( 2.085 0.000 0.000) 2.085 3.563 ( -0.650 0.000 0.000) 0.650 4.631 ( -5.072 0.000 0.000) 5.072 4.696 ( -11.075 0.000 0.000) 11.075 4.861 ( 5.834 0.000 0.000) 5.834 5.307 ( 19.873 0.000 0.000) 19.873 5.882 ( 1.466 0.000 0.000) 1.466 6.005 ( -0.551 0.000 0.000) 0.551 6.164 ( 3.901 0.000 0.000) 3.901 6.409 ( 2.836 0.000 0.000) 2.836 7.533 ( 12.292 0.000 0.000) 12.292 7.552 ( 15.600 0.000 0.000) 15.600 9.450 ( -1.407 0.000 0.000) 1.407 9.501 ( -2.187 0.000 0.000) 2.187 10.558 ( 10.128 0.000 0.000) 10.128 11.021 ( -10.020 0.000 0.000) 10.020 11.185 ( -0.378 0.000 0.000) 0.378 11.521 ( 8.479 0.000 0.000) 8.479 14.068 ( 8.057 0.000 0.000) 8.057 14.988 ( -7.107 0.000 0.000) 7.107 16.365 ( 46.686 0.000 0.000) 46.686 16.954 ( 39.700 0.000 0.000) 39.700 26.352 ( -4.928 0.000 0.000) 4.928 26.382 ( -5.315 0.000 0.000) 5.315 27.613 ( 9.528 0.000 0.000) 9.528 28.646 ( -20.079 0.000 0.000) 20.079 28.684 ( -6.093 0.000 0.000) 6.093 28.830 ( -11.349 0.000 0.000) 11.349 30.039 ( 2.516 0.000 0.000) 2.516 30.477 ( -13.034 0.000 0.000) 13.034 30.891 ( 20.557 0.000 0.000) 20.557 31.605 ( 10.907 0.000 0.000) 10.907 34.996 ( -6.187 0.000 0.000) 6.187 35.080 ( -10.321 0.000 0.000) 10.321 46.525 ( 17.564 0.000 0.000) 17.564 47.339 ( 21.128 0.000 0.000) 21.128 48.700 ( -18.143 0.000 0.000) 18.143 49.168 ( -9.718 0.000 0.000) 9.718 78.828 ( 0.161 0.000 0.000) 0.161 78.833 ( 0.122 0.000 0.000) 0.122 80.586 ( 27.506 0.000 0.000) 27.506 81.053 ( -0.843 0.000 0.000) 0.843 81.391 ( 12.684 0.000 0.000) 12.684 82.346 ( 4.463 0.000 0.000) 4.463 89.263 ( 2.449 0.000 0.000) 2.449 90.090 ( -2.311 0.000 0.000) 2.311 112.188 ( -0.232 0.000 0.000) 0.232 112.217 ( -0.506 0.000 0.000) 0.506======================= Grid point 4 (5/63) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 18.968 0.000 0.000) 18.968 1.556 ( 11.553 0.000 0.000) 11.553 1.689 ( 16.521 0.000 0.000) 16.521 1.746 ( 13.039 0.000 0.000) 13.039 2.399 ( 4.578 0.000 0.000) 4.578 2.401 ( -1.351 0.000 0.000) 1.351 2.536 ( -4.933 0.000 0.000) 4.933 2.665 ( -8.113 0.000 0.000) 8.113 2.824 ( -0.242 0.000 0.000) 0.242 2.944 ( 4.379 0.000 0.000) 4.379 3.314 ( -1.003 0.000 0.000) 1.003 3.332 ( -4.447 0.000 0.000) 4.447 3.383 ( 3.845 0.000 0.000) 3.845 3.547 ( -1.036 0.000 0.000) 1.036 4.599 ( 1.798 0.000 0.000) 1.798 4.600 ( 3.177 0.000 0.000) 3.177 4.897 ( -2.245 0.000 0.000) 2.245 5.409 ( -7.340 0.000 0.000) 7.340 5.913 ( 1.595 0.000 0.000) 1.595 5.991 ( -0.840 0.000 0.000) 0.840 6.284 ( 6.634 0.000 0.000) 6.634 6.446 ( 0.550 0.000 0.000) 0.550 7.855 ( 17.700 0.000 0.000) 17.700 7.923 ( 18.293 0.000 0.000) 18.293 9.427 ( -0.897 0.000 0.000) 0.897 9.459 ( -1.891 0.000 0.000) 1.891 10.645 ( 1.842 0.000 0.000) 1.842 10.830 ( -7.352 0.000 0.000) 7.352 11.284 ( 7.363 0.000 0.000) 7.363 11.625 ( 0.755 0.000 0.000) 0.755 14.245 ( 9.483 0.000 0.000) 9.483 14.828 ( -8.757 0.000 0.000) 8.757 17.229 ( 38.004 0.000 0.000) 38.004 17.646 ( 27.340 0.000 0.000) 27.340 26.271 ( -3.086 0.000 0.000) 3.086 26.290 ( -3.705 0.000 0.000) 3.705 27.819 ( 11.062 0.000 0.000) 11.062 28.267 ( -15.852 0.000 0.000) 15.852 28.462 ( -14.798 0.000 0.000) 14.798 28.582 ( -13.139 0.000 0.000) 13.139 30.104 ( 3.453 0.000 0.000) 3.453 30.289 ( -5.908 0.000 0.000) 5.908 31.301 ( 19.618 0.000 0.000) 19.618 31.783 ( 6.038 0.000 0.000) 6.038 34.869 ( -6.131 0.000 0.000) 6.131 34.885 ( -8.450 0.000 0.000) 8.450 46.912 ( 20.853 0.000 0.000) 20.853 47.757 ( 18.941 0.000 0.000) 18.941 48.322 ( -18.171 0.000 0.000) 18.171 48.938 ( -13.360 0.000 0.000) 13.360 78.832 ( 0.154 0.000 0.000) 0.154 78.835 ( 0.064 0.000 0.000) 0.064 80.930 ( 8.773 0.000 0.000) 8.773 81.045 ( -0.014 0.000 0.000) 0.014 81.728 ( 18.752 0.000 0.000) 18.752 82.376 ( -1.559 0.000 0.000) 1.559 89.402 ( 10.661 0.000 0.000) 10.661 90.019 ( -5.150 0.000 0.000) 5.150 112.186 ( 0.039 0.000 0.000) 0.039 112.206 ( -0.523 0.000 0.000) 0.523======================= Grid point 5 (6/63) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 11.475 0.000 0.000) 11.475 1.733 ( 3.593 0.000 0.000) 3.593 1.956 ( 8.513 0.000 0.000) 8.513 1.961 ( 7.232 0.000 0.000) 7.232 2.392 ( 1.354 0.000 0.000) 1.354 2.434 ( -1.022 0.000 0.000) 1.022 2.443 ( -2.773 0.000 0.000) 2.773 2.497 ( -7.500 0.000 0.000) 7.500 2.828 ( 2.198 0.000 0.000) 2.198 2.926 ( -5.589 0.000 0.000) 5.589 3.277 ( -0.067 0.000 0.000) 0.067 3.295 ( -1.087 0.000 0.000) 1.087 3.459 ( 3.472 0.000 0.000) 3.472 3.516 ( -2.187 0.000 0.000) 2.187 4.684 ( 5.970 0.000 0.000) 5.970 4.793 ( 10.503 0.000 0.000) 10.503 4.813 ( -1.253 0.000 0.000) 1.253 5.139 ( -17.219 0.000 0.000) 17.219 5.944 ( 1.474 0.000 0.000) 1.474 5.971 ( -1.179 0.000 0.000) 1.179 6.387 ( 3.567 0.000 0.000) 3.567 6.435 ( -1.481 0.000 0.000) 1.481 8.142 ( 9.132 0.000 0.000) 9.132 8.179 ( 5.854 0.000 0.000) 5.854 9.417 ( 0.035 0.000 0.000) 0.035 9.429 ( -1.085 0.000 0.000) 1.085 10.692 ( 2.588 0.000 0.000) 2.588 10.738 ( -2.495 0.000 0.000) 2.495 11.425 ( 6.904 0.000 0.000) 6.904 11.561 ( -6.058 0.000 0.000) 6.058 14.442 ( 10.056 0.000 0.000) 10.056 14.642 ( -9.785 0.000 0.000) 9.785 17.823 ( 19.880 0.000 0.000) 19.880 17.979 ( 4.782 0.000 0.000) 4.782 26.231 ( -0.844 0.000 0.000) 0.844 26.238 ( -1.507 0.000 0.000) 1.507 28.055 ( 12.476 0.000 0.000) 12.476 28.075 ( -2.294 0.000 0.000) 2.294 28.177 ( -11.445 0.000 0.000) 11.445 28.315 ( -13.350 0.000 0.000) 13.350 30.165 ( 2.619 0.000 0.000) 2.619 30.213 ( -2.470 0.000 0.000) 2.470 31.641 ( 13.496 0.000 0.000) 13.496 31.815 ( -3.457 0.000 0.000) 3.457 34.767 ( -2.937 0.000 0.000) 2.937 34.771 ( -3.054 0.000 0.000) 3.054 47.348 ( 22.280 0.000 0.000) 22.280 47.777 ( -18.711 0.000 0.000) 18.711 48.285 ( 16.284 0.000 0.000) 16.284 48.635 ( -16.784 0.000 0.000) 16.784 78.834 ( 0.104 0.000 0.000) 0.104 78.835 ( -0.022 0.000 0.000) 0.022 81.026 ( 2.148 0.000 0.000) 2.148 81.045 ( -0.196 0.000 0.000) 0.196 82.064 ( 14.055 0.000 0.000) 14.055 82.282 ( -7.785 0.000 0.000) 7.785 89.647 ( 12.627 0.000 0.000) 12.627 89.873 ( -9.494 0.000 0.000) 9.494 112.189 ( 0.281 0.000 0.000) 0.281 112.197 ( -0.447 0.000 0.000) 0.447======================= Grid point 12 (7/63) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.339 ( 9.913 9.913 0.000) 14.018 0.780 ( 17.627 17.627 0.000) 24.929 0.976 ( 15.828 15.828 0.000) 22.384 1.206 ( 14.512 14.512 0.000) 20.523 1.349 ( 18.533 18.533 0.000) 26.210 2.081 ( 4.815 4.815 0.000) 6.809 2.591 ( 0.730 0.730 0.000) 1.033 2.783 ( 0.373 0.373 0.000) 0.528 2.861 ( -2.481 -2.481 0.000) 3.509 2.926 ( 0.462 0.462 0.000) 0.653 3.133 ( 6.955 6.955 0.000) 9.836 3.376 ( -1.005 -1.005 0.000) 1.421 3.441 ( 7.562 7.562 0.000) 10.695 3.788 ( 9.291 9.291 0.000) 13.140 4.041 ( 19.360 19.360 0.000) 27.380 4.186 ( 13.355 13.355 0.000) 18.886 4.932 ( -8.151 -8.151 0.000) 11.528 5.482 ( -18.863 -18.863 0.000) 26.677 5.689 ( -6.797 -6.797 0.000) 9.613 5.907 ( -5.499 -5.499 0.000) 7.776 6.193 ( 7.798 7.798 0.000) 11.028 6.443 ( 6.933 6.933 0.000) 9.805 7.308 ( -6.979 -6.979 0.000) 9.869 7.356 ( -4.017 -4.017 0.000) 5.681 9.575 ( 3.129 3.129 0.000) 4.425 9.670 ( 3.783 3.783 0.000) 5.350 9.876 ( 16.326 16.326 0.000) 23.088 10.686 ( 11.040 11.040 0.000) 15.613 11.462 ( -9.978 -9.978 0.000) 14.111 11.644 ( -11.772 -11.772 0.000) 16.648 13.999 ( 9.362 9.362 0.000) 13.240 14.833 ( 24.827 24.827 0.000) 35.111 15.433 ( 10.796 10.796 0.000) 15.269 15.459 ( 10.949 10.949 0.000) 15.485 26.518 ( -4.804 -4.804 0.000) 6.794 26.550 ( -3.978 -3.978 0.000) 5.626 27.246 ( -0.739 -0.739 0.000) 1.046 28.776 ( 9.725 9.725 0.000) 13.753 29.011 ( -9.228 -9.228 0.000) 13.051 29.191 ( 0.846 0.846 0.000) 1.196 30.127 ( -0.093 -0.093 0.000) 0.131 30.291 ( 6.364 6.364 0.000) 9.000 31.051 ( -3.979 -3.979 0.000) 5.627 31.163 ( 0.919 0.919 0.000) 1.300 35.151 ( -2.406 -2.406 0.000) 3.402 35.368 ( -4.498 -4.498 0.000) 6.361 46.085 ( 6.252 6.252 0.000) 8.841 46.767 ( 9.428 9.428 0.000) 13.333 49.169 ( -7.282 -7.282 0.000) 10.298 49.393 ( -2.863 -2.863 0.000) 4.049 78.832 ( 0.396 0.396 0.000) 0.560 78.873 ( 2.432 2.432 0.000) 3.440 79.374 ( 24.320 24.320 0.000) 34.394 81.171 ( 2.096 2.096 0.000) 2.965 81.240 ( 3.295 3.295 0.000) 4.659 81.978 ( 1.334 1.334 0.000) 1.887 89.401 ( -5.872 -5.872 0.000) 8.304 90.142 ( -0.428 -0.428 0.000) 0.605 112.199 ( -0.307 -0.307 0.000) 0.434 112.230 ( -0.218 -0.218 0.000) 0.308======================= Grid point 13 (8/63) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 16.041 5.639 0.000) 17.004 1.101 ( 15.685 14.384 0.000) 21.282 1.233 ( 8.543 3.016 0.000) 9.060 1.410 ( 10.118 19.193 0.000) 21.697 1.839 ( 23.437 2.916 0.000) 23.618 2.258 ( 11.047 5.658 0.000) 12.412 2.612 ( 1.024 -0.258 0.000) 1.056 2.772 ( -0.262 -0.883 0.000) 0.921 2.809 ( -2.486 -2.638 0.000) 3.625 2.916 ( -1.530 1.892 0.000) 2.433 3.296 ( 6.980 4.289 0.000) 8.193 3.351 ( -1.533 -1.754 0.000) 2.330 3.518 ( 2.094 18.517 0.000) 18.635 3.842 ( 0.129 23.475 0.000) 23.475 4.582 ( 21.230 8.565 0.000) 22.892 4.661 ( 23.026 2.526 0.000) 23.165 4.768 ( 4.453 -5.098 0.000) 6.769 5.025 ( -22.899 -10.404 0.000) 25.152 5.624 ( -0.609 -16.333 0.000) 16.344 5.809 ( -4.405 -11.303 0.000) 12.131 6.336 ( 6.139 13.022 0.000) 14.397 6.539 ( 3.551 11.884 0.000) 12.404 7.218 ( -0.478 -12.658 0.000) 12.667 7.299 ( -0.398 -8.123 0.000) 8.132 9.598 ( 0.138 9.111 0.000) 9.112 9.690 ( -0.300 10.913 0.000) 10.917 10.299 ( 21.871 10.208 0.000) 24.136 11.000 ( 14.139 1.432 0.000) 14.212 11.237 ( -10.413 -7.981 0.000) 13.120 11.395 ( -9.576 -8.793 0.000) 13.001 14.152 ( 6.948 18.520 0.000) 19.780 15.358 ( -5.707 23.708 0.000) 24.385 15.540 ( 42.445 12.794 0.000) 44.331 16.103 ( 38.693 -3.935 0.000) 38.893 26.404 ( -6.032 -5.359 0.000) 8.069 26.447 ( -5.913 -4.471 0.000) 7.413 27.286 ( 3.608 -10.527 0.000) 11.128 28.749 ( -17.097 -16.065 0.000) 23.460 28.936 ( 5.776 17.442 0.000) 18.374 29.160 ( -4.176 5.332 0.000) 6.772 30.108 ( -0.367 7.206 0.000) 7.215 30.529 ( 16.268 2.377 0.000) 16.440 30.829 ( -14.609 4.820 0.000) 15.384 31.309 ( 10.669 -6.629 0.000) 12.561 35.079 ( -4.699 -2.582 0.000) 5.362 35.236 ( -8.391 -3.872 0.000) 9.242 46.271 ( 12.143 5.183 0.000) 13.203 47.033 ( 16.670 8.440 0.000) 18.685 48.960 ( -13.275 -6.290 0.000) 14.689 49.306 ( -5.860 -2.195 0.000) 6.257 78.844 ( 0.720 1.246 0.000) 1.439 78.899 ( 0.524 5.938 0.000) 5.961 80.017 ( 35.921 14.259 0.000) 38.648 81.219 ( -3.265 11.115 0.000) 11.585 81.239 ( 4.957 1.627 0.000) 5.217 82.108 ( 8.888 -7.875 0.000) 11.875 89.287 ( -4.016 -1.721 0.000) 4.369 90.132 ( -0.614 0.733 0.000) 0.956 112.192 ( -0.370 -0.218 0.000) 0.429 112.224 ( -0.394 -0.207 0.000) 0.445======================= Grid point 14 (9/63) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( 18.988 3.173 0.000) 19.251 1.354 ( 8.974 2.531 0.000) 9.324 1.449 ( 15.373 8.257 0.000) 17.450 1.630 ( 11.588 14.013 0.000) 18.183 2.207 ( 12.811 -1.135 0.000) 12.861 2.417 ( 3.345 2.637 0.000) 4.260 2.616 ( -1.032 0.284 0.000) 1.070 2.765 ( -2.351 -2.096 0.000) 3.150 2.826 ( 5.983 0.956 0.000) 6.059 2.869 ( -2.704 2.763 0.000) 3.867 3.318 ( -1.536 -2.121 0.000) 2.619 3.353 ( -1.382 0.568 0.000) 1.494 3.579 ( 3.980 20.536 0.000) 20.918 3.835 ( -0.693 24.809 0.000) 24.818 4.580 ( -4.513 -4.751 0.000) 6.553 4.632 ( -11.943 -6.479 0.000) 13.587 4.894 ( 5.727 4.588 0.000) 7.338 5.311 ( 19.213 0.803 0.000) 19.230 5.655 ( 2.924 -16.435 0.000) 16.693 5.733 ( -2.553 -15.849 0.000) 16.054 6.445 ( 5.367 16.742 0.000) 17.581 6.613 ( 3.654 14.663 0.000) 15.111 7.331 ( 11.856 -18.658 0.000) 22.106 7.381 ( 9.095 -13.089 0.000) 15.939 9.603 ( 0.665 12.357 0.000) 12.375 9.691 ( 0.684 14.989 0.000) 15.005 10.604 ( 6.242 3.573 0.000) 7.192 10.983 ( -10.367 -3.774 0.000) 11.033 11.151 ( 3.928 -1.373 0.000) 4.161 11.464 ( 10.379 -2.870 0.000) 10.769 14.298 ( 7.847 20.602 0.000) 22.046 15.221 ( -7.890 22.236 0.000) 23.594 16.429 ( 44.507 6.702 0.000) 45.009 16.909 ( 39.642 -4.360 0.000) 39.881 26.291 ( -5.086 -5.806 0.000) 7.718 26.329 ( -5.629 -5.081 0.000) 7.583 27.365 ( 3.895 -18.859 0.000) 19.257 28.345 ( -22.289 -21.045 0.000) 30.655 28.979 ( -1.998 23.024 0.000) 23.110 29.032 ( -8.033 11.207 0.000) 13.789 30.134 ( 2.692 9.019 0.000) 9.412 30.542 ( -12.502 6.383 0.000) 14.037 30.903 ( 20.235 1.348 0.000) 20.279 31.540 ( 11.481 -6.330 0.000) 13.110 34.967 ( -6.349 -2.867 0.000) 6.966 35.046 ( -10.121 -3.345 0.000) 10.659 46.563 ( 16.830 3.822 0.000) 17.258 47.411 ( 20.354 7.047 0.000) 21.539 48.650 ( -17.417 -4.967 0.000) 18.111 49.157 ( -9.127 -1.171 0.000) 9.202 78.859 ( 0.808 2.448 0.000) 2.578 78.903 ( 0.021 6.706 0.000) 6.706 80.660 ( 25.067 7.397 0.000) 26.135 81.157 ( -2.577 9.598 0.000) 9.938 81.397 ( 11.933 0.567 0.000) 11.947 82.260 ( 5.494 -7.804 0.000) 9.544 89.285 ( 4.290 2.398 0.000) 4.915 90.112 ( -1.563 2.166 0.000) 2.671 112.186 ( -0.205 -0.149 0.000) 0.253 112.215 ( -0.496 -0.191 0.000) 0.532======================= Grid point 15 (10/63) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 18.170 1.601 0.000) 18.240 1.559 ( 10.986 1.371 0.000) 11.071 1.760 ( 14.918 5.229 0.000) 15.808 1.862 ( 11.293 10.073 0.000) 15.132 2.364 ( 3.743 -2.870 0.000) 4.716 2.422 ( -1.460 2.023 0.000) 2.495 2.568 ( -3.295 2.231 0.000) 3.980 2.685 ( -5.455 0.592 0.000) 5.487 2.823 ( -2.323 0.504 0.000) 2.377 2.945 ( 3.239 0.255 0.000) 3.249 3.272 ( -4.956 -2.878 0.000) 5.731 3.296 ( -0.725 -1.738 0.000) 1.883 3.657 ( 3.591 21.605 0.000) 21.901 3.813 ( -1.555 24.006 0.000) 24.057 4.549 ( 3.982 -4.821 0.000) 6.253 4.562 ( 2.602 -2.990 0.000) 3.963 4.902 ( -3.406 1.343 0.000) 3.661 5.384 ( -8.686 -2.675 0.000) 9.089 5.698 ( 1.068 -15.490 0.000) 15.527 5.730 ( 0.563 -16.191 0.000) 16.201 6.560 ( 5.612 18.171 0.000) 19.018 6.667 ( 1.608 16.391 0.000) 16.470 7.627 ( 14.878 -24.096 0.000) 28.319 7.629 ( 13.454 -18.948 0.000) 23.239 9.632 ( 2.293 16.172 0.000) 16.334 9.715 ( 1.330 19.502 0.000) 19.548 10.640 ( 0.957 -1.176 0.000) 1.516 10.800 ( -6.587 -2.907 0.000) 7.200 11.309 ( 8.504 4.194 0.000) 9.482 11.598 ( 2.137 -0.614 0.000) 2.223 14.466 ( 8.922 20.419 0.000) 22.283 15.047 ( -9.356 20.829 0.000) 22.834 17.255 ( 36.345 2.797 0.000) 36.452 17.604 ( 27.773 -3.971 0.000) 28.056 26.207 ( -3.167 -6.074 0.000) 6.851 26.231 ( -3.949 -5.633 0.000) 6.879 27.432 ( 2.714 -26.955 0.000) 27.091 27.912 ( -19.527 -24.787 0.000) 31.555 28.865 ( -7.956 17.688 0.000) 19.394 28.866 ( -7.957 28.383 0.000) 29.478 30.198 ( 3.338 9.092 0.000) 9.686 30.364 ( -5.419 7.283 0.000) 9.078 31.305 ( 19.027 0.313 0.000) 19.029 31.733 ( 6.903 -5.003 0.000) 8.525 34.837 ( -6.242 -3.134 0.000) 6.984 34.854 ( -8.398 -3.045 0.000) 8.933 46.935 ( 20.038 2.245 0.000) 20.163 47.812 ( 17.692 5.294 0.000) 18.467 48.288 ( -16.952 -3.293 0.000) 17.269 48.939 ( -12.669 0.111 0.000) 12.670 78.875 ( 0.711 3.713 0.000) 3.781 78.901 ( -0.187 6.455 0.000) 6.458 80.975 ( 8.132 4.499 0.000) 9.294 81.118 ( -1.345 6.999 0.000) 7.127 81.714 ( 17.724 -1.297 0.000) 17.772 82.311 ( -0.600 -6.172 0.000) 6.201 89.450 ( 11.431 4.797 0.000) 12.397 90.055 ( -4.483 3.562 0.000) 5.726 112.185 ( 0.044 -0.122 0.000) 0.129 112.205 ( -0.512 -0.170 0.000) 0.539======================= Grid point 16 (11/63) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 10.614 0.385 0.000) 10.621 1.721 ( 3.106 0.163 0.000) 3.110 2.022 ( 9.967 4.701 0.000) 11.020 2.057 ( 6.658 8.210 0.000) 10.570 2.371 ( -2.550 -3.415 0.000) 4.262 2.374 ( -3.197 0.499 0.000) 3.236 2.530 ( 0.929 5.562 0.000) 5.639 2.588 ( -3.684 5.229 0.000) 6.396 2.785 ( 0.516 -3.768 0.000) 3.803 2.885 ( -7.408 -3.891 0.000) 8.368 3.242 ( 1.634 -2.057 0.000) 2.627 3.278 ( -1.348 -1.467 0.000) 1.992 3.722 ( 2.893 22.255 0.000) 22.442 3.774 ( -2.307 22.840 0.000) 22.956 4.663 ( 6.643 -1.198 0.000) 6.750 4.758 ( 15.447 -3.563 0.000) 15.853 4.799 ( -6.384 -0.053 0.000) 6.384 5.103 ( -17.339 -3.342 0.000) 17.658 5.709 ( 0.404 -16.988 0.000) 16.993 5.722 ( -0.866 -17.211 0.000) 17.232 6.647 ( 2.871 18.357 0.000) 18.580 6.678 ( -0.442 17.774 0.000) 17.780 7.835 ( 5.836 -24.420 0.000) 25.108 7.840 ( 5.442 -26.527 0.000) 27.079 9.686 ( 2.670 19.750 0.000) 19.930 9.724 ( -0.813 21.379 0.000) 21.395 10.683 ( 2.706 -1.124 0.000) 2.930 10.725 ( -1.826 -1.355 0.000) 2.274 11.451 ( 6.067 4.145 0.000) 7.348 11.563 ( -4.651 1.894 0.000) 5.021 14.654 ( 9.728 19.877 0.000) 22.130 14.852 ( -9.962 19.942 0.000) 22.292 17.819 ( 18.522 -0.213 0.000) 18.523 17.952 ( 5.752 -2.555 0.000) 6.294 26.166 ( -0.826 -6.150 0.000) 6.206 26.175 ( -1.640 -6.006 0.000) 6.226 27.483 ( 3.230 -31.156 0.000) 31.323 27.608 ( -10.325 -28.922 0.000) 30.710 28.735 ( -3.645 29.783 0.000) 30.006 28.740 ( -3.869 24.757 0.000) 25.057 30.256 ( 2.378 8.757 0.000) 9.075 30.297 ( -2.067 8.134 0.000) 8.392 31.630 ( 12.612 -1.213 0.000) 12.670 31.783 ( -2.442 -3.145 0.000) 3.981 34.735 ( -3.016 -3.071 0.000) 4.304 34.738 ( -3.033 -3.205 0.000) 4.413 47.354 ( 21.515 0.617 0.000) 21.524 47.775 ( -19.189 -0.391 0.000) 19.193 48.309 ( 16.786 2.396 0.000) 16.956 48.650 ( -16.101 1.512 0.000) 16.172 78.887 ( 0.529 4.849 0.000) 4.878 78.896 ( -0.349 5.779 0.000) 5.789 81.068 ( 2.362 4.133 0.000) 4.760 81.097 ( -0.992 5.067 0.000) 5.163 82.032 ( 13.244 -3.061 0.000) 13.593 82.235 ( -6.978 -4.557 0.000) 8.334 89.701 ( 12.573 5.334 0.000) 13.658 89.922 ( -9.017 4.719 0.000) 10.177 112.188 ( 0.274 -0.126 0.000) 0.301 112.195 ( -0.436 -0.146 0.000) 0.459======================= Grid point 24 (12/63) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( 12.080 12.080 0.000) 17.084 1.308 ( 5.162 5.162 0.000) 7.300 1.376 ( 12.106 12.106 0.000) 17.121 1.750 ( 11.702 11.702 0.000) 16.549 1.969 ( 10.984 10.984 0.000) 15.533 2.398 ( 6.620 6.620 0.000) 9.362 2.611 ( 0.123 0.123 0.000) 0.174 2.761 ( -2.074 -2.074 0.000) 2.933 2.778 ( 2.314 2.314 0.000) 3.273 2.937 ( 0.108 0.108 0.000) 0.153 3.306 ( -2.437 -2.437 0.000) 3.447 3.372 ( 2.163 2.163 0.000) 3.058 3.824 ( 10.243 10.243 0.000) 14.486 4.281 ( 13.893 13.893 0.000) 19.647 4.576 ( -8.257 -8.257 0.000) 11.677 4.731 ( -15.648 -15.648 0.000) 22.129 4.900 ( 18.639 18.639 0.000) 26.360 4.927 ( 21.729 21.729 0.000) 30.729 5.354 ( -8.728 -8.728 0.000) 12.343 5.602 ( -9.331 -9.331 0.000) 13.196 6.581 ( 11.029 11.029 0.000) 15.598 6.747 ( 8.676 8.676 0.000) 12.270 6.983 ( -8.522 -8.522 0.000) 12.051 7.136 ( -6.601 -6.601 0.000) 9.336 9.747 ( 5.269 5.269 0.000) 7.451 9.859 ( 5.634 5.634 0.000) 7.968 10.562 ( 11.633 11.633 0.000) 16.452 11.046 ( -3.928 -3.928 0.000) 5.555 11.096 ( -2.259 -2.259 0.000) 3.194 11.291 ( 5.273 5.273 0.000) 7.458 14.514 ( 15.688 15.688 0.000) 22.187 15.946 ( 11.748 11.748 0.000) 16.615 15.967 ( 29.453 29.453 0.000) 41.653 16.036 ( 18.667 18.667 0.000) 26.399 26.273 ( -7.014 -7.014 0.000) 9.919 26.331 ( -6.699 -6.699 0.000) 9.474 27.112 ( -6.869 -6.869 0.000) 9.714 28.361 ( -22.533 -22.533 0.000) 31.867 29.227 ( 1.422 1.422 0.000) 2.011 29.257 ( 13.279 13.279 0.000) 18.779 30.262 ( 6.740 6.740 0.000) 9.532 30.652 ( 11.045 11.045 0.000) 15.619 30.894 ( -2.788 -2.788 0.000) 3.943 31.204 ( 0.982 0.982 0.000) 1.389 35.003 ( -5.037 -5.037 0.000) 7.124 35.121 ( -7.502 -7.502 0.000) 10.609 46.427 ( 10.331 10.331 0.000) 14.610 47.272 ( 14.933 14.933 0.000) 21.119 48.779 ( -11.615 -11.615 0.000) 16.426 49.239 ( -4.607 -4.607 0.000) 6.515 78.877 ( 2.056 2.056 0.000) 2.908 79.004 ( 3.894 3.894 0.000) 5.507 80.420 ( 24.128 24.128 0.000) 34.123 81.291 ( 3.806 3.806 0.000) 5.383 81.398 ( 4.172 4.172 0.000) 5.901 82.005 ( -0.287 -0.287 0.000) 0.406 89.276 ( 1.571 1.571 0.000) 2.221 90.152 ( 1.222 1.222 0.000) 1.728 112.187 ( -0.271 -0.271 0.000) 0.384 112.218 ( -0.373 -0.373 0.000) 0.528======================= Grid point 25 (13/63) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( 16.380 8.344 0.000) 18.383 1.438 ( 8.277 5.929 0.000) 10.181 1.614 ( 11.863 7.721 0.000) 14.154 1.922 ( 7.619 13.409 0.000) 15.422 2.193 ( 8.937 0.182 0.000) 8.939 2.474 ( 1.194 2.520 0.000) 2.789 2.612 ( -0.246 -0.529 0.000) 0.583 2.721 ( -2.316 -2.375 0.000) 3.318 2.875 ( 6.370 4.006 0.000) 7.525 2.918 ( -1.955 1.925 0.000) 2.744 3.265 ( -1.427 -2.851 0.000) 3.188 3.347 ( -4.923 -1.613 0.000) 5.180 3.969 ( 5.482 14.485 0.000) 15.487 4.355 ( -4.431 14.522 0.000) 15.183 4.453 ( -9.030 -10.402 0.000) 13.775 4.499 ( 2.507 4.831 0.000) 5.443 5.078 ( -2.558 10.719 0.000) 11.020 5.373 ( 12.063 5.421 0.000) 13.225 5.382 ( 8.176 -6.402 0.000) 10.384 5.442 ( -3.097 -11.650 0.000) 12.055 6.765 ( 7.681 14.896 0.000) 16.760 6.896 ( 6.678 12.498 0.000) 14.170 6.940 ( 4.459 -17.581 0.000) 18.138 7.094 ( 3.247 -13.932 0.000) 14.305 9.833 ( 4.136 9.434 0.000) 10.301 9.957 ( 4.957 10.217 0.000) 11.356 10.616 ( -3.122 -3.553 0.000) 4.730 10.869 ( -9.702 -7.370 0.000) 12.184 11.254 ( 14.252 12.956 0.000) 19.261 11.517 ( 11.960 8.886 0.000) 14.899 14.772 ( 10.720 24.066 0.000) 26.345 15.806 ( -9.830 33.531 0.000) 34.942 16.652 ( 36.802 16.024 0.000) 40.139 16.797 ( 39.573 -5.753 0.000) 39.989 26.142 ( -5.805 -8.307 0.000) 10.134 26.196 ( -6.454 -7.690 0.000) 10.040 26.993 ( -5.363 -17.454 0.000) 18.260 27.869 ( -25.778 -26.116 0.000) 36.696 29.226 ( -1.153 8.223 0.000) 8.304 29.439 ( 4.364 20.983 0.000) 21.432 30.367 ( 4.276 13.190 0.000) 13.866 30.718 ( -10.496 10.409 0.000) 14.782 30.956 ( 17.843 4.372 0.000) 18.371 31.368 ( 11.684 -9.893 0.000) 15.310 34.883 ( -6.729 -5.469 0.000) 8.671 34.948 ( -9.375 -6.390 0.000) 11.346 46.678 ( 14.585 7.658 0.000) 16.473 47.610 ( 18.198 12.455 0.000) 22.052 48.506 ( -15.376 -9.268 0.000) 17.954 49.119 ( -7.418 -2.672 0.000) 7.884 78.922 ( 2.370 3.680 0.000) 4.377 79.052 ( 1.087 7.084 0.000) 7.167 80.875 ( 18.483 13.538 0.000) 22.911 81.384 ( -3.724 11.459 0.000) 12.049 81.415 ( 9.601 1.333 0.000) 9.693 82.078 ( 5.301 -9.078 0.000) 10.512 89.374 ( 8.361 6.879 0.000) 10.827 90.172 ( 0.443 3.596 0.000) 3.624 112.183 ( -0.153 -0.197 0.000) 0.250 112.210 ( -0.468 -0.341 0.000) 0.579======================= Grid point 26 (14/63) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 16.629 5.920 0.000) 17.651 1.632 ( 10.045 5.920 0.000) 11.660 1.853 ( 11.967 3.792 0.000) 12.553 2.084 ( 8.580 10.823 0.000) 13.811 2.306 ( 2.679 -2.559 0.000) 3.705 2.476 ( -0.722 3.134 0.000) 3.216 2.597 ( -0.831 0.462 0.000) 0.950 2.653 ( -4.121 -3.457 0.000) 5.379 2.860 ( -4.093 2.814 0.000) 4.967 2.958 ( -1.024 0.961 0.000) 1.405 3.212 ( -5.603 -3.171 0.000) 6.438 3.251 ( -0.268 -2.563 0.000) 2.576 4.058 ( 3.581 13.535 0.000) 14.001 4.260 ( -4.077 9.770 0.000) 10.587 4.429 ( 6.515 -6.436 0.000) 9.157 4.593 ( 6.226 12.647 0.000) 14.097 5.003 ( -3.777 8.120 0.000) 8.956 5.264 ( -8.697 -10.588 0.000) 13.702 5.437 ( -2.171 -7.134 0.000) 7.456 5.506 ( -3.511 -2.961 0.000) 4.593 6.912 ( 6.704 15.933 0.000) 17.286 6.994 ( 3.408 14.612 0.000) 15.004 7.128 ( 11.216 -22.830 0.000) 25.436 7.224 ( 7.653 -19.254 0.000) 20.719 9.926 ( 4.941 11.665 0.000) 12.668 10.053 ( 3.719 12.605 0.000) 13.142 10.581 ( 0.976 -4.187 0.000) 4.299 10.720 ( -4.385 -4.818 0.000) 6.515 11.511 ( 10.075 15.809 0.000) 18.747 11.689 ( 4.720 10.549 0.000) 11.556 14.968 ( 9.368 27.372 0.000) 28.931 15.594 ( -11.122 31.521 0.000) 33.425 17.353 ( 31.239 7.490 0.000) 32.124 17.504 ( 29.098 -5.187 0.000) 29.556 26.048 ( -3.522 -9.184 0.000) 9.837 26.083 ( -4.614 -8.617 0.000) 9.775 26.897 ( -3.790 -25.684 0.000) 25.962 27.373 ( -22.496 -28.475 0.000) 36.290 29.202 ( -0.701 15.766 0.000) 15.782 29.428 ( -4.656 26.625 0.000) 27.029 30.443 ( 3.247 14.570 0.000) 14.927 30.564 ( -4.466 12.138 0.000) 12.934 31.314 ( 16.815 0.607 0.000) 16.826 31.587 ( 8.946 -9.306 0.000) 12.908 34.746 ( -6.432 -5.760 0.000) 8.634 34.767 ( -8.095 -5.581 0.000) 9.832 47.002 ( 17.564 4.502 0.000) 18.132 47.956 ( 12.014 8.381 0.000) 14.649 48.197 ( -11.297 -5.249 0.000) 12.457 48.939 ( -10.655 -0.233 0.000) 10.658 78.969 ( 2.228 5.359 0.000) 5.804 79.057 ( -0.400 8.194 0.000) 8.204 81.110 ( 6.234 8.844 0.000) 10.820 81.303 ( -3.771 10.688 0.000) 11.334 81.679 ( 15.036 -2.094 0.000) 15.182 82.151 ( 1.190 -9.125 0.000) 9.203 89.595 ( 12.898 9.596 0.000) 16.076 90.154 ( -2.617 6.036 0.000) 6.579 112.181 ( 0.047 -0.178 0.000) 0.184 112.200 ( -0.477 -0.298 0.000) 0.562======================= Grid point 27 (15/63) =======================q-point: ( 0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 9.930 4.846 0.000) 11.050 1.772 ( 2.250 4.957 0.000) 5.444 2.087 ( 10.937 1.300 0.000) 11.014 2.231 ( 1.491 6.986 0.000) 7.143 2.316 ( 1.688 -0.922 0.000) 1.923 2.424 ( -4.897 4.026 0.000) 6.339 2.621 ( 3.111 -3.753 0.000) 4.875 2.625 ( 4.313 3.513 0.000) 5.563 2.750 ( -6.462 2.689 0.000) 6.999 2.794 ( -11.523 -4.144 0.000) 12.245 3.201 ( 2.165 -2.175 0.000) 3.069 3.239 ( -1.223 -2.451 0.000) 2.739 4.125 ( 3.254 12.184 0.000) 12.611 4.189 ( -3.203 11.241 0.000) 11.688 4.659 ( 14.103 -5.910 0.000) 15.291 4.732 ( 6.559 9.621 0.000) 11.644 4.924 ( -3.898 15.099 0.000) 15.594 5.038 ( -13.814 -0.722 0.000) 13.833 5.376 ( -2.043 -15.127 0.000) 15.265 5.397 ( -4.355 -13.892 0.000) 14.558 7.012 ( 3.047 17.037 0.000) 17.307 7.035 ( 0.564 16.632 0.000) 16.642 7.302 ( 5.379 -24.947 0.000) 25.521 7.333 ( 2.289 -23.625 0.000) 23.735 10.017 ( 3.950 12.054 0.000) 12.684 10.075 ( -1.414 12.361 0.000) 12.442 10.642 ( 3.679 -2.765 0.000) 4.602 10.684 ( -0.647 -2.623 0.000) 2.701 11.653 ( 4.656 16.121 0.000) 16.780 11.715 ( -1.454 13.889 0.000) 13.965 15.160 ( 9.979 28.528 0.000) 30.223 15.370 ( -10.990 29.692 0.000) 31.661 17.829 ( 14.607 1.684 0.000) 14.704 17.893 ( 8.543 -2.595 0.000) 8.929 26.004 ( -0.818 -9.507 0.000) 9.542 26.016 ( -2.010 -9.282 0.000) 9.497 26.870 ( 2.030 -29.875 0.000) 29.943 27.013 ( -12.729 -30.128 0.000) 32.707 29.217 ( 2.539 22.689 0.000) 22.830 29.306 ( -6.141 27.086 0.000) 27.774 30.493 ( 1.721 14.183 0.000) 14.287 30.517 ( -1.066 13.168 0.000) 13.211 31.590 ( 9.916 -2.854 0.000) 10.318 31.687 ( 0.343 -6.441 0.000) 6.450 34.647 ( -2.887 -5.686 0.000) 6.377 34.649 ( -3.183 -5.420 0.000) 6.286 47.372 ( 19.113 1.182 0.000) 19.149 47.755 ( -18.686 -1.680 0.000) 18.762 48.383 ( 16.435 4.962 0.000) 17.168 48.692 ( -14.028 2.492 0.000) 14.248 79.010 ( 1.799 6.856 0.000) 7.088 79.040 ( -1.219 7.914 0.000) 8.008 81.189 ( 2.681 7.853 0.000) 8.298 81.239 ( -2.660 8.781 0.000) 9.175 81.950 ( 11.180 -4.914 0.000) 12.213 82.113 ( -5.056 -7.177 0.000) 8.779 89.854 ( 12.103 9.690 0.000) 15.504 90.054 ( -7.571 8.217 0.000) 11.173 112.184 ( 0.248 -0.203 0.000) 0.320 112.191 ( -0.399 -0.249 0.000) 0.470======================= Grid point 36 (16/63) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( 13.168 13.168 0.000) 18.622 1.590 ( 9.116 9.116 0.000) 12.891 1.762 ( 7.338 7.338 0.000) 10.378 2.131 ( 7.498 7.498 0.000) 10.604 2.226 ( 2.923 2.923 0.000) 4.134 2.513 ( 1.660 1.660 0.000) 2.348 2.602 ( -0.372 -0.372 0.000) 0.527 2.661 ( -3.821 -3.821 0.000) 5.404 2.939 ( 0.054 0.054 0.000) 0.077 2.964 ( 3.834 3.834 0.000) 5.422 3.219 ( -1.513 -1.513 0.000) 2.139 3.269 ( -6.318 -6.318 0.000) 8.934 4.149 ( 5.088 5.088 0.000) 7.195 4.276 ( -5.373 -5.373 0.000) 7.599 4.320 ( -4.109 -4.109 0.000) 5.810 4.762 ( 8.547 8.547 0.000) 12.087 5.072 ( -5.072 -5.072 0.000) 7.173 5.197 ( -10.298 -10.298 0.000) 14.563 5.537 ( 10.513 10.513 0.000) 14.868 5.585 ( 9.183 9.183 0.000) 12.987 6.681 ( -5.779 -5.779 0.000) 8.172 6.871 ( -5.972 -5.972 0.000) 8.446 7.040 ( 11.430 11.430 0.000) 16.165 7.126 ( 9.681 9.681 0.000) 13.691 9.986 ( 6.574 6.574 0.000) 9.297 10.123 ( 7.391 7.391 0.000) 10.453 10.524 ( -3.674 -3.674 0.000) 5.195 10.716 ( -7.079 -7.079 0.000) 10.011 11.583 ( 17.120 17.120 0.000) 24.212 11.758 ( 12.887 12.887 0.000) 18.225 15.194 ( 17.508 17.508 0.000) 24.760 16.309 ( 5.793 5.793 0.000) 8.192 16.866 ( 21.898 21.898 0.000) 30.969 17.068 ( 24.601 24.601 0.000) 34.790 25.982 ( -7.292 -7.292 0.000) 10.312 26.039 ( -7.532 -7.532 0.000) 10.651 26.671 ( -14.646 -14.646 0.000) 20.712 27.321 ( -27.838 -27.838 0.000) 39.368 29.370 ( 6.514 6.514 0.000) 9.213 29.778 ( 12.157 12.157 0.000) 17.192 30.608 ( 9.715 9.715 0.000) 13.738 30.882 ( 2.238 2.238 0.000) 3.166 31.098 ( 10.051 10.051 0.000) 14.214 31.232 ( 0.362 0.362 0.000) 0.512 34.755 ( -7.062 -7.062 0.000) 9.988 34.799 ( -8.151 -8.151 0.000) 11.527 46.867 ( 11.024 11.024 0.000) 15.590 47.891 ( 15.144 15.144 0.000) 21.417 48.286 ( -12.392 -12.392 0.000) 17.525 49.046 ( -4.761 -4.761 0.000) 6.732 79.000 ( 3.974 3.974 0.000) 5.620 79.161 ( 3.608 3.608 0.000) 5.103 81.155 ( 12.560 12.560 0.000) 17.762 81.466 ( 4.798 4.798 0.000) 6.785 81.543 ( 2.825 2.825 0.000) 3.994 81.954 ( -2.008 -2.008 0.000) 2.840 89.563 ( 11.771 11.771 0.000) 16.647 90.244 ( 3.193 3.193 0.000) 4.516 112.179 ( -0.125 -0.125 0.000) 0.177 112.202 ( -0.421 -0.421 0.000) 0.595======================= Grid point 37 (17/63) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 14.684 10.483 0.000) 18.042 1.783 ( 9.179 8.651 0.000) 12.613 1.915 ( 8.066 2.714 0.000) 8.510 2.264 ( 6.848 6.658 0.000) 9.551 2.272 ( 0.781 -0.697 0.000) 1.047 2.545 ( 0.667 3.830 0.000) 3.887 2.569 ( -4.896 -4.461 0.000) 6.623 2.600 ( 1.013 0.346 0.000) 1.071 2.916 ( -2.542 2.448 0.000) 3.529 2.964 ( -6.506 -1.267 0.000) 6.628 3.144 ( -2.936 -3.440 0.000) 4.523 3.201 ( -0.606 -2.254 0.000) 2.334 4.187 ( 0.919 2.797 0.000) 2.944 4.269 ( -1.142 -2.003 0.000) 2.305 4.321 ( 8.353 -3.916 0.000) 9.226 4.857 ( 1.681 6.210 0.000) 6.433 5.011 ( -0.666 -6.335 0.000) 6.370 5.030 ( -5.448 -10.702 0.000) 12.009 5.558 ( -7.229 13.238 0.000) 15.083 5.592 ( -8.505 7.761 0.000) 11.514 6.719 ( 7.019 -15.121 0.000) 16.670 6.856 ( 2.900 -13.425 0.000) 13.734 7.233 ( 7.607 12.930 0.000) 15.001 7.281 ( 5.785 12.154 0.000) 13.461 10.109 ( 5.504 7.670 0.000) 9.441 10.250 ( 4.065 8.601 0.000) 9.513 10.510 ( 2.488 -2.179 0.000) 3.307 10.618 ( -1.911 -5.181 0.000) 5.522 11.875 ( 11.384 18.544 0.000) 21.759 11.972 ( 7.813 15.621 0.000) 17.466 15.483 ( 12.150 22.662 0.000) 25.714 16.185 ( -11.336 23.407 0.000) 26.007 17.461 ( 29.101 3.480 0.000) 29.309 17.569 ( 23.268 14.052 0.000) 27.182 25.862 ( -4.553 -9.012 0.000) 10.097 25.906 ( -5.574 -8.654 0.000) 10.294 26.418 ( -10.012 -21.808 0.000) 23.996 26.794 ( -23.621 -28.627 0.000) 37.114 29.499 ( 6.688 14.106 0.000) 15.612 29.901 ( 0.014 19.919 0.000) 19.919 30.744 ( 4.218 14.457 0.000) 15.060 30.825 ( -3.552 13.210 0.000) 13.679 31.330 ( 11.706 1.081 0.000) 11.756 31.380 ( 9.956 -10.575 0.000) 14.524 34.615 ( -6.399 -7.061 0.000) 9.530 34.638 ( -7.349 -6.955 0.000) 10.118 47.114 ( 13.527 6.589 0.000) 15.046 48.006 ( -13.934 -6.433 0.000) 15.348 48.210 ( 14.804 9.332 0.000) 17.500 48.924 ( -7.498 -1.390 0.000) 7.626 79.077 ( 3.645 5.264 0.000) 6.403 79.200 ( 0.473 5.602 0.000) 5.622 81.313 ( 3.847 10.756 0.000) 11.424 81.510 ( -4.179 8.951 0.000) 9.878 81.640 ( 11.334 -1.435 0.000) 11.424 81.973 ( 1.705 -7.897 0.000) 8.079 89.824 ( 13.482 12.790 0.000) 18.583 90.282 ( 0.116 6.218 0.000) 6.219 112.178 ( 0.024 -0.144 0.000) 0.146 112.193 ( -0.417 -0.356 0.000) 0.548======================= Grid point 38 (18/63) =======================q-point: ( 0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 9.164 8.796 0.000) 12.702 1.906 ( 1.899 7.893 0.000) 8.118 2.083 ( 8.449 -1.163 0.000) 8.529 2.230 ( -5.309 -2.832 0.000) 6.017 2.413 ( 6.853 5.920 0.000) 9.056 2.505 ( -3.609 3.500 0.000) 5.027 2.525 ( 3.055 -4.170 0.000) 5.170 2.659 ( -0.012 0.474 0.000) 0.474 2.764 ( -6.589 1.057 0.000) 6.673 2.833 ( -5.548 4.500 0.000) 7.144 3.150 ( 1.653 -2.948 0.000) 3.380 3.183 ( -1.350 -3.074 0.000) 3.357 4.223 ( 2.073 1.641 0.000) 2.644 4.254 ( -0.909 0.111 0.000) 0.916 4.546 ( 12.927 -4.678 0.000) 13.747 4.776 ( -8.932 -4.402 0.000) 9.958 5.045 ( 3.499 -11.153 0.000) 11.689 5.045 ( 4.550 -7.908 0.000) 9.123 5.360 ( -10.403 12.146 0.000) 15.992 5.363 ( -9.295 16.011 0.000) 18.513 6.853 ( 5.029 -17.594 0.000) 18.298 6.900 ( 0.344 -16.987 0.000) 16.990 7.340 ( 3.044 13.856 0.000) 14.186 7.355 ( 1.540 13.588 0.000) 13.675 10.199 ( 3.639 7.604 0.000) 8.429 10.260 ( -2.149 7.844 0.000) 8.133 10.592 ( 4.146 -1.786 0.000) 4.514 10.626 ( 0.801 -2.902 0.000) 3.011 12.032 ( 4.481 19.591 0.000) 20.097 12.063 ( 1.357 18.601 0.000) 18.651 15.711 ( 11.178 24.594 0.000) 27.015 15.943 ( -12.109 24.984 0.000) 27.764 17.888 ( 11.938 3.306 0.000) 12.388 17.912 ( 9.176 7.260 0.000) 11.701 25.805 ( -0.996 -10.117 0.000) 10.166 25.823 ( -2.655 -9.736 0.000) 10.092 26.303 ( -0.565 -26.046 0.000) 26.052 26.422 ( -12.646 -28.156 0.000) 30.865 29.646 ( 8.042 20.201 0.000) 21.743 29.810 ( -7.607 22.964 0.000) 24.191 30.792 ( 0.931 14.918 0.000) 14.947 30.796 ( 0.015 13.928 0.000) 13.928 31.513 ( 5.544 -4.868 0.000) 7.378 31.530 ( 3.860 -9.060 0.000) 9.848 34.520 ( -2.519 -6.670 0.000) 7.130 34.527 ( -3.238 -6.416 0.000) 7.187 47.401 ( 15.005 1.745 0.000) 15.106 47.707 ( -15.356 -3.045 0.000) 15.655 48.500 ( 13.556 6.421 0.000) 15.000 48.743 ( -10.637 2.435 0.000) 10.912 79.143 ( 2.822 6.126 0.000) 6.745 79.187 ( -1.532 6.354 0.000) 6.536 81.368 ( 2.442 9.440 0.000) 9.750 81.427 ( -3.640 9.298 0.000) 9.985 81.849 ( 8.596 -4.745 0.000) 9.819 81.966 ( -2.970 -7.040 0.000) 7.641 90.072 ( 10.692 11.602 0.000) 15.778 90.233 ( -5.197 9.163 0.000) 10.535 112.180 ( 0.193 -0.203 0.000) 0.280 112.186 ( -0.335 -0.280 0.000) 0.436======================= Grid point 48 (19/63) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 12.301 12.301 0.000) 17.396 1.954 ( 7.720 7.720 0.000) 10.918 1.974 ( 3.405 3.405 0.000) 4.815 2.252 ( -2.353 -2.353 0.000) 3.327 2.362 ( 4.124 4.124 0.000) 5.832 2.500 ( -1.782 -1.782 0.000) 2.519 2.598 ( 0.277 0.277 0.000) 0.392 2.647 ( 4.868 4.868 0.000) 6.885 2.876 ( -7.200 -7.200 0.000) 10.182 2.946 ( 0.337 0.337 0.000) 0.476 3.093 ( -1.480 -1.480 0.000) 2.093 3.159 ( -2.077 -2.077 0.000) 2.938 4.257 ( 0.875 0.875 0.000) 1.238 4.264 ( 1.885 1.885 0.000) 2.666 4.296 ( 5.666 5.666 0.000) 8.013 4.812 ( -7.072 -7.072 0.000) 10.002 4.884 ( -5.296 -5.296 0.000) 7.490 4.923 ( -1.279 -1.279 0.000) 1.809 5.627 ( -5.925 -5.925 0.000) 8.379 5.673 ( -3.489 -3.489 0.000) 4.933 6.569 ( 0.063 0.063 0.000) 0.089 6.696 ( -2.720 -2.720 0.000) 3.846 7.453 ( 8.661 8.661 0.000) 12.248 7.480 ( 7.594 7.594 0.000) 10.740 10.251 ( 6.207 6.207 0.000) 8.778 10.416 ( 6.660 6.660 0.000) 9.418 10.511 ( 2.405 2.405 0.000) 3.402 10.528 ( -2.629 -2.629 0.000) 3.718 12.197 ( 12.892 12.892 0.000) 18.233 12.248 ( 10.977 10.977 0.000) 15.524 15.852 ( 14.504 14.504 0.000) 20.511 16.407 ( -0.371 -0.371 0.000) 0.525 17.709 ( 19.056 19.056 0.000) 26.949 17.884 ( 15.756 15.756 0.000) 22.283 25.698 ( -7.200 -7.200 0.000) 10.182 25.747 ( -7.117 -7.117 0.000) 10.065 26.050 ( -14.167 -14.167 0.000) 20.035 26.267 ( -22.745 -22.745 0.000) 32.167 29.771 ( 13.096 13.096 0.000) 18.521 30.192 ( 8.158 8.158 0.000) 11.537 30.980 ( 8.157 8.157 0.000) 11.536 31.032 ( 4.457 4.457 0.000) 6.303 31.238 ( 0.098 0.098 0.000) 0.139 31.361 ( 2.119 2.119 0.000) 2.996 34.480 ( -5.978 -5.978 0.000) 8.453 34.502 ( -6.301 -6.301 0.000) 8.911 47.264 ( 8.294 8.294 0.000) 11.729 47.836 ( -9.541 -9.541 0.000) 13.494 48.425 ( 10.908 10.908 0.000) 15.426 48.877 ( -3.476 -3.476 0.000) 4.915 79.174 ( 4.329 4.329 0.000) 6.123 79.275 ( 2.016 2.016 0.000) 2.851 81.489 ( 5.080 5.080 0.000) 7.184 81.616 ( 0.875 0.875 0.000) 1.237 81.656 ( 4.343 4.343 0.000) 6.141 81.869 ( -1.985 -1.985 0.000) 2.807 90.083 ( 12.393 12.393 0.000) 17.527 90.383 ( 3.346 3.346 0.000) 4.731 112.176 ( -0.037 -0.037 0.000) 0.052 112.186 ( -0.334 -0.334 0.000) 0.472======================= Grid point 49 (20/63) =======================q-point: ( 0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 6.957 9.474 0.000) 11.754 2.054 ( 4.042 0.933 0.000) 4.149 2.067 ( 3.495 5.439 0.000) 6.465 2.167 ( -5.426 -3.289 0.000) 6.345 2.468 ( 6.945 -0.540 0.000) 6.965 2.507 ( 2.477 2.793 0.000) 3.733 2.569 ( -3.044 3.268 0.000) 4.466 2.643 ( -8.515 -3.057 0.000) 9.047 2.817 ( 4.819 4.160 0.000) 6.366 2.916 ( -3.583 3.551 0.000) 5.045 3.086 ( 0.760 -3.311 0.000) 3.397 3.116 ( -2.064 -3.623 0.000) 4.169 4.280 ( 0.897 4.331 0.000) 4.423 4.283 ( 0.950 3.188 0.000) 3.327 4.507 ( 12.000 1.990 0.000) 12.164 4.686 ( -6.036 -3.818 0.000) 7.142 4.822 ( -0.218 -10.045 0.000) 10.047 4.880 ( -3.830 -6.250 0.000) 7.330 5.469 ( -4.954 -4.039 0.000) 6.392 5.519 ( -8.212 -2.364 0.000) 8.546 6.628 ( 3.609 -4.527 0.000) 5.790 6.675 ( -0.992 -5.291 0.000) 5.383 7.573 ( 3.231 9.099 0.000) 9.655 7.581 ( 2.396 8.771 0.000) 9.092 10.347 ( 3.627 6.663 0.000) 7.586 10.414 ( -3.288 6.758 0.000) 7.515 10.581 ( 3.022 0.826 0.000) 3.133 10.581 ( 3.349 -1.054 0.000) 3.511 12.376 ( 4.868 13.896 0.000) 14.724 12.392 ( 3.243 13.315 0.000) 13.704 16.094 ( 10.530 13.532 0.000) 17.146 16.290 ( -8.885 9.169 0.000) 12.768 18.051 ( 11.732 12.150 0.000) 16.890 18.115 ( 5.345 11.880 0.000) 13.027 25.593 ( -2.279 -11.380 0.000) 11.606 25.624 ( -4.761 -10.559 0.000) 11.582 25.876 ( -3.001 -15.033 0.000) 15.330 25.936 ( -9.550 -18.557 0.000) 20.870 30.021 ( 11.642 17.056 0.000) 20.651 30.209 ( -5.767 16.140 0.000) 17.139 31.047 ( 0.723 10.430 0.000) 10.455 31.061 ( 0.586 11.188 0.000) 11.203 31.344 ( 5.582 -8.691 0.000) 10.329 31.396 ( 0.323 -6.650 0.000) 6.658 34.395 ( -2.076 -5.454 0.000) 5.835 34.405 ( -2.959 -5.494 0.000) 6.240 47.442 ( 9.472 2.384 0.000) 9.768 47.638 ( -9.972 -3.690 0.000) 10.633 48.627 ( 9.043 5.957 0.000) 10.829 48.781 ( -6.241 1.100 0.000) 6.337 79.247 ( 2.871 4.213 0.000) 5.099 79.286 ( -0.833 3.396 0.000) 3.497 81.538 ( 1.612 6.683 0.000) 6.875 81.582 ( -2.709 5.360 0.000) 6.006 81.778 ( 5.741 -1.832 0.000) 6.026 81.851 ( -1.527 -3.976 0.000) 4.259 90.294 ( 8.210 9.924 0.000) 12.880 90.398 ( -2.099 6.734 0.000) 7.054 112.177 ( 0.106 -0.129 0.000) 0.167 112.180 ( -0.242 -0.234 0.000) 0.336======================= Grid point 60 (21/63) =======================q-point: ( 0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 0.835 0.835 0.000) 1.181 2.091 ( -2.590 -2.590 0.000) 3.662 2.184 ( 4.055 4.055 0.000) 5.735 2.189 ( 4.277 4.277 0.000) 6.049 2.467 ( 1.246 1.246 0.000) 1.763 2.545 ( -5.646 -5.646 0.000) 7.985 2.576 ( 3.755 3.755 0.000) 5.310 2.617 ( 0.447 0.447 0.000) 0.632 2.907 ( 4.374 4.374 0.000) 6.185 2.961 ( 0.265 0.265 0.000) 0.375 3.031 ( -1.668 -1.668 0.000) 2.359 3.041 ( -3.166 -3.166 0.000) 4.477 4.358 ( 3.084 3.084 0.000) 4.361 4.359 ( 2.736 2.736 0.000) 3.870 4.620 ( -2.131 -2.131 0.000) 3.014 4.653 ( 10.267 10.267 0.000) 14.520 4.658 ( -4.922 -4.922 0.000) 6.961 4.816 ( -2.653 -2.653 0.000) 3.752 5.298 ( -7.206 -7.206 0.000) 10.191 5.352 ( -10.122 -10.122 0.000) 14.314 6.615 ( 1.159 1.159 0.000) 1.639 6.633 ( -0.655 -0.655 0.000) 0.926 7.697 ( 3.229 3.229 0.000) 4.566 7.700 ( 2.985 2.985 0.000) 4.221 10.439 ( 2.651 2.651 0.000) 3.749 10.471 ( -0.550 -0.550 0.000) 0.778 10.611 ( 2.661 2.661 0.000) 3.763 10.619 ( 1.887 1.887 0.000) 2.668 12.568 ( 5.018 5.018 0.000) 7.096 12.573 ( 4.493 4.493 0.000) 6.354 16.279 ( 5.898 5.898 0.000) 8.341 16.353 ( -1.306 -1.306 0.000) 1.846 18.281 ( 8.062 8.062 0.000) 11.402 18.309 ( 5.356 5.356 0.000) 7.575 25.397 ( -5.726 -5.726 0.000) 8.097 25.418 ( -7.567 -7.567 0.000) 10.702 25.706 ( -3.326 -3.326 0.000) 4.703 25.716 ( -4.606 -4.606 0.000) 6.514 30.312 ( 11.141 11.141 0.000) 15.756 30.411 ( 2.702 2.702 0.000) 3.821 31.176 ( 2.107 2.107 0.000) 2.980 31.215 ( 3.165 3.165 0.000) 4.476 31.245 ( 0.172 0.172 0.000) 0.243 31.263 ( -5.197 -5.197 0.000) 7.350 34.318 ( -1.968 -1.968 0.000) 2.784 34.322 ( -2.388 -2.388 0.000) 3.378 47.497 ( 3.069 3.069 0.000) 4.340 47.564 ( -3.604 -3.604 0.000) 5.097 48.728 ( 3.937 3.937 0.000) 5.568 48.780 ( -1.263 -1.263 0.000) 1.786 79.310 ( 1.963 1.963 0.000) 2.776 79.324 ( 0.537 0.537 0.000) 0.760 81.614 ( 1.443 1.443 0.000) 2.040 81.628 ( -0.020 -0.020 0.000) 0.028 81.785 ( 1.804 1.804 0.000) 2.551 81.811 ( -0.767 -0.767 0.000) 1.085 90.447 ( 4.968 4.968 0.000) 7.026 90.483 ( 1.404 1.404 0.000) 1.986 112.175 ( -0.006 -0.006 0.000) 0.009 112.177 ( -0.128 -0.128 0.000) 0.181======================= Grid point 121 (22/63) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.126 ( 0.000 -0.000 4.832) 4.832 0.126 ( -0.000 0.000 4.832) 4.832 0.472 ( 0.000 0.000 19.307) 19.307 0.811 ( -0.000 0.000 -0.858) 0.858 0.811 ( 0.000 0.000 -0.858) 0.858 1.944 ( 0.000 -0.000 -8.252) 8.252 2.579 ( -0.000 -0.000 0.540) 0.540 2.579 ( -0.000 0.000 0.540) 0.540 2.902 ( 0.000 0.000 -0.736) 0.736 2.902 ( 0.000 0.000 -0.736) 0.736 3.040 ( -0.000 0.000 -0.239) 0.239 3.287 ( 0.000 0.000 0.252) 0.252 3.287 ( -0.000 0.000 0.252) 0.252 3.598 ( -0.000 -0.000 0.011) 0.011 3.598 ( 0.000 0.000 0.011) 0.011 3.684 ( 0.000 0.000 2.680) 2.680 5.831 ( -0.000 0.000 -0.086) 0.086 5.831 ( 0.000 0.000 -0.086) 0.086 6.021 ( 0.000 0.000 0.078) 0.078 6.021 ( 0.000 0.000 0.078) 0.078 6.064 ( 0.000 0.000 -1.583) 1.583 6.140 ( 0.000 0.000 1.191) 1.191 7.438 ( 0.000 0.000 -0.011) 0.011 7.466 ( 0.000 0.000 0.011) 0.011 9.510 ( -0.000 -0.000 -0.005) 0.005 9.510 ( 0.000 0.000 -0.005) 0.005 9.584 ( -0.000 -0.000 0.004) 0.004 9.584 ( 0.000 0.000 0.004) 0.004 11.701 ( -0.000 0.000 -0.004) 0.004 11.935 ( 0.000 0.000 0.009) 0.009 13.806 ( 0.000 0.000 0.001) 0.001 13.806 ( 0.000 0.000 0.001) 0.001 15.212 ( -0.000 0.000 -0.000) 0.000 15.212 ( 0.000 0.000 -0.000) 0.000 26.622 ( 0.000 0.000 -0.000) 0.000 26.632 ( 0.000 0.000 -0.000) 0.000 27.247 ( -0.000 0.000 -0.001) 0.001 27.247 ( -0.000 0.000 -0.001) 0.001 29.167 ( 0.000 0.000 0.000) 0.000 29.167 ( -0.000 0.000 0.000) 0.000 30.164 ( -0.000 0.000 -0.002) 0.002 30.164 ( 0.000 0.000 -0.002) 0.002 31.141 ( -0.000 0.000 0.002) 0.002 31.141 ( 0.000 0.000 0.002) 0.002 35.199 ( 0.000 0.000 0.000) 0.000 35.461 ( 0.000 0.000 -0.000) 0.000 45.956 ( 0.000 0.000 -0.000) 0.000 46.571 ( 0.000 0.000 0.000) 0.000 49.452 ( 0.000 0.000 -0.000) 0.000 49.453 ( 0.000 0.000 0.000) 0.000 78.823 ( 0.000 0.000 -0.000) 0.000 78.823 ( 0.000 0.000 -0.000) 0.000 78.827 ( 0.000 0.000 0.000) 0.000 78.827 ( 0.000 0.000 0.000) 0.000 81.128 ( -0.000 0.000 -0.020) 0.020 81.169 ( -0.000 0.000 0.020) 0.020 90.156 ( -0.000 0.000 0.001) 0.001 91.427 ( 0.000 0.000 -0.002) 0.002 112.235 ( -0.000 -0.000 0.000) 0.000 112.271 ( 0.000 0.000 0.000) 0.000======================= Grid point 122 (23/63) =======================q-point: ( 0.09 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.470 ( 21.514 0.000 0.545) 21.521 0.519 ( 5.748 0.000 16.796) 17.753 0.800 ( 30.657 0.000 -0.307) 30.658 0.922 ( 10.314 0.000 -0.257) 10.317 1.224 ( 31.026 0.000 0.050) 31.026 1.956 ( 3.572 0.000 -7.241) 8.075 2.591 ( 1.136 0.000 0.284) 1.171 2.688 ( 5.601 0.000 -3.945) 6.851 2.897 ( -1.515 0.000 -0.308) 1.546 2.901 ( -0.309 0.000 -0.412) 0.515 3.078 ( 5.530 0.000 0.711) 5.575 3.283 ( -0.320 0.000 0.111) 0.338 3.459 ( 1.354 0.000 3.698) 3.938 3.592 ( -0.601 0.000 0.030) 0.602 3.796 ( 21.708 0.000 -8.026) 23.144 3.983 ( 31.482 0.000 -1.162) 31.504 5.411 ( -25.426 0.000 19.466) 32.022 5.679 ( -27.050 0.000 0.592) 27.056 5.837 ( 0.592 0.000 -0.083) 0.598 5.994 ( 2.931 0.000 -5.306) 6.061 6.019 ( -0.160 0.000 0.076) 0.177 6.274 ( 6.183 0.000 -1.978) 6.492 7.406 ( -3.763 0.000 -0.147) 3.765 7.407 ( -2.679 0.000 -0.065) 2.679 9.502 ( -0.821 0.000 -0.004) 0.821 9.573 ( -1.085 0.000 0.003) 1.085 9.734 ( 20.221 0.000 0.005) 20.221 10.349 ( 40.028 0.000 -14.392) 42.536 11.576 ( -11.017 0.000 0.157) 11.019 11.776 ( -13.338 0.000 -0.085) 13.338 13.837 ( 3.088 0.000 0.001) 3.088 14.416 ( 45.093 0.000 -8.853) 45.954 15.186 ( -2.571 0.000 -0.000) 2.571 15.484 ( 25.465 0.000 0.231) 25.466 26.571 ( -4.596 0.000 0.000) 4.596 26.592 ( -3.786 0.000 -0.000) 3.786 27.304 ( 5.237 0.000 -0.001) 5.237 27.968 ( 38.881 0.000 -28.352) 48.120 29.136 ( -3.345 0.000 0.000) 3.345 29.167 ( -1.818 0.000 0.491) 1.883 30.108 ( -4.696 0.000 -0.003) 4.696 30.252 ( 8.853 0.000 -0.002) 8.853 31.038 ( -9.927 0.000 -0.103) 9.927 31.206 ( 6.377 0.000 0.002) 6.377 35.175 ( -2.352 0.000 0.000) 2.352 35.412 ( -4.810 0.000 0.000) 4.810 46.023 ( 6.657 0.000 -0.034) 6.657 46.671 ( 9.794 0.000 0.002) 9.794 49.307 ( -11.155 0.000 2.822) 11.506 49.422 ( -3.119 0.000 -0.025) 3.119 78.823 ( 0.069 0.000 -0.000) 0.069 78.828 ( 0.081 0.000 0.000) 0.081 79.182 ( 32.976 0.000 4.223) 33.245 80.305 ( 76.529 0.000 -63.571) 99.488 81.150 ( 2.250 0.000 -0.026) 2.250 81.235 ( 10.323 0.000 -3.396) 10.867 90.147 ( -0.914 0.000 0.010) 0.914 90.451 ( -59.251 0.000 36.415) 69.547 112.232 ( -0.239 0.000 0.013) 0.239 112.233 ( -2.056 0.000 1.332) 2.449======================= Grid point 123 (24/63) =======================q-point: ( 0.18 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( 13.123 0.000 11.525) 17.466 0.898 ( 20.990 0.000 -0.755) 21.003 1.182 ( 14.796 0.000 0.797) 14.817 1.184 ( 9.651 0.000 -1.790) 9.815 1.810 ( 25.346 0.000 -0.272) 25.347 2.149 ( 13.912 0.000 -4.168) 14.523 2.613 ( 0.700 0.000 -0.195) 0.727 2.734 ( 0.485 0.000 -3.574) 3.607 2.848 ( -2.806 0.000 -0.465) 2.844 2.879 ( -2.264 0.000 0.088) 2.265 3.249 ( 9.305 0.000 0.471) 9.317 3.284 ( 0.728 0.000 -0.006) 0.728 3.412 ( -2.901 0.000 2.769) 4.010 3.577 ( -0.833 0.000 0.005) 0.833 4.358 ( 26.772 0.000 -7.406) 27.777 4.637 ( 26.160 0.000 -0.297) 26.162 5.026 ( -12.172 0.000 8.761) 14.997 5.177 ( -17.576 0.000 5.503) 18.417 5.855 ( 1.114 0.000 -0.073) 1.116 6.014 ( -0.337 0.000 0.071) 0.345 6.072 ( 4.333 0.000 -3.570) 5.614 6.333 ( 1.103 0.000 -1.858) 2.161 7.370 ( 2.457 0.000 -0.175) 2.463 7.395 ( 2.159 0.000 0.078) 2.160 9.479 ( -1.360 0.000 -0.002) 1.360 9.543 ( -1.888 0.000 0.001) 1.888 10.201 ( 23.438 0.000 0.006) 23.438 10.953 ( 19.985 0.000 -4.009) 20.383 11.328 ( -11.909 0.000 0.021) 11.909 11.500 ( -11.039 0.000 -0.017) 11.039 13.927 ( 5.863 0.000 0.001) 5.863 15.110 ( -4.992 0.000 -0.000) 4.992 15.373 ( 49.387 0.000 -3.363) 49.502 16.149 ( 38.930 0.000 0.368) 38.932 26.462 ( -5.818 0.000 0.000) 5.818 26.494 ( -5.610 0.000 -0.000) 5.610 27.438 ( 7.890 0.000 -0.000) 7.890 28.485 ( 14.979 0.000 -14.034) 20.526 29.025 ( -7.788 0.000 0.000) 7.788 29.026 ( -13.071 0.000 1.370) 13.143 30.030 ( -1.883 0.000 0.082) 1.885 30.511 ( 16.600 0.000 -0.002) 16.600 30.771 ( -15.662 0.000 -0.376) 15.666 31.382 ( 10.609 0.000 0.001) 10.609 35.105 ( -4.576 0.000 0.000) 4.576 35.274 ( -8.652 0.000 0.000) 8.652 46.219 ( 12.732 0.000 -0.074) 12.732 46.947 ( 17.310 0.000 0.015) 17.310 49.044 ( -15.087 0.000 1.360) 15.149 49.328 ( -6.290 0.000 -0.038) 6.290 78.825 ( 0.128 0.000 -0.000) 0.128 78.830 ( 0.128 0.000 0.000) 0.128 79.969 ( 40.958 0.000 8.608) 41.852 80.958 ( 6.304 0.000 -13.902) 15.264 81.224 ( 5.488 0.000 0.079) 5.489 81.753 ( 29.721 0.000 -26.366) 39.731 89.609 ( -25.851 0.000 19.010) 32.088 90.124 ( -1.348 0.000 -0.015) 1.348 112.204 ( -0.982 0.000 0.646) 1.176 112.226 ( -0.401 0.000 0.000) 0.401======================= Grid point 124 (25/63) =======================q-point: ( 0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 17.661 0.000 7.438) 19.163 1.303 ( 19.265 0.000 -1.390) 19.315 1.336 ( 8.180 0.000 -1.872) 8.391 1.488 ( 15.211 0.000 1.530) 15.287 2.199 ( 13.274 0.000 -1.629) 13.374 2.370 ( 5.692 0.000 -1.392) 5.860 2.606 ( -1.711 0.000 -0.202) 1.723 2.787 ( 5.804 0.000 -2.428) 6.291 2.800 ( -5.658 0.000 -0.078) 5.659 2.806 ( -0.626 0.000 -1.313) 1.455 3.319 ( 2.774 0.000 0.241) 2.784 3.355 ( -1.382 0.000 1.374) 1.948 3.388 ( 2.127 0.000 1.068) 2.380 3.561 ( -0.780 0.000 -0.153) 0.795 4.613 ( -1.835 0.000 -1.267) 2.230 4.696 ( -9.581 0.000 0.019) 9.581 4.855 ( 2.853 0.000 -0.256) 2.864 5.376 ( 15.852 0.000 5.034) 16.633 5.881 ( 1.480 0.000 -0.057) 1.481 6.005 ( -0.561 0.000 0.061) 0.564 6.169 ( 5.735 0.000 0.466) 5.754 6.370 ( 2.961 0.000 -3.149) 4.323 7.533 ( 12.260 0.000 0.044) 12.260 7.551 ( 15.569 0.000 -0.072) 15.569 9.450 ( -1.406 0.000 -0.000) 1.406 9.501 ( -2.188 0.000 -0.001) 2.188 10.559 ( 10.139 0.000 0.021) 10.139 11.015 ( -9.387 0.000 -0.419) 9.396 11.184 ( -0.385 0.000 -0.009) 0.386 11.516 ( 8.790 0.000 -0.325) 8.796 14.068 ( 8.057 0.000 0.001) 8.057 14.988 ( -7.107 0.000 0.000) 7.107 16.354 ( 47.526 0.000 -0.858) 47.534 16.956 ( 39.547 0.000 0.148) 39.548 26.352 ( -4.928 0.000 0.000) 4.928 26.382 ( -5.315 0.000 -0.000) 5.315 27.613 ( 9.528 0.000 -0.000) 9.528 28.603 ( -4.967 0.000 -3.354) 5.993 28.680 ( -17.621 0.000 -0.136) 17.621 28.830 ( -11.349 0.000 0.000) 11.349 30.042 ( 2.532 0.000 0.239) 2.543 30.468 ( -13.089 0.000 -0.643) 13.105 30.891 ( 20.557 0.000 -0.001) 20.557 31.605 ( 10.906 0.000 0.001) 10.906 34.996 ( -6.187 0.000 0.000) 6.187 35.080 ( -10.321 0.000 0.000) 10.321 46.524 ( 17.580 0.000 -0.064) 17.580 47.339 ( 21.135 0.000 0.029) 21.135 48.706 ( -18.524 0.000 0.418) 18.529 49.168 ( -9.705 0.000 -0.023) 9.705 78.828 ( 0.161 0.000 -0.000) 0.161 78.833 ( 0.122 0.000 -0.000) 0.122 80.659 ( 24.930 0.000 6.431) 25.746 81.013 ( 1.327 0.000 -3.812) 4.036 81.404 ( 13.642 0.000 1.084) 13.685 82.173 ( 12.996 0.000 -12.844) 18.272 89.336 ( -3.187 0.000 5.217) 6.113 90.089 ( -2.334 0.000 -0.052) 2.335 112.191 ( -0.408 0.000 0.211) 0.459 112.217 ( -0.506 0.000 0.000) 0.506======================= Grid point 125 (26/63) =======================q-point: ( 0.36 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 16.678 0.000 4.277) 17.218 1.545 ( 11.855 0.000 -1.442) 11.943 1.662 ( 16.393 0.000 -1.516) 16.463 1.775 ( 13.065 0.000 1.619) 13.165 2.363 ( 4.007 0.000 -1.992) 4.475 2.400 ( -0.449 0.000 -0.771) 0.892 2.542 ( -4.509 0.000 0.432) 4.530 2.657 ( -8.312 0.000 -0.600) 8.334 2.792 ( -0.332 0.000 -2.001) 2.029 2.945 ( 6.841 0.000 -0.314) 6.848 3.315 ( -2.581 0.000 0.992) 2.765 3.363 ( -4.026 0.000 1.452) 4.279 3.388 ( 3.765 0.000 0.338) 3.780 3.543 ( -1.067 0.000 -0.299) 1.108 4.585 ( -0.429 0.000 -0.383) 0.576 4.620 ( 5.324 0.000 0.781) 5.381 4.870 ( -2.826 0.000 -1.850) 3.378 5.441 ( -7.776 0.000 2.263) 8.099 5.912 ( 1.613 0.000 -0.034) 1.613 5.991 ( -0.854 0.000 0.044) 0.855 6.301 ( 6.266 0.000 1.485) 6.439 6.423 ( 1.584 0.000 -2.022) 2.568 7.856 ( 17.709 0.000 0.046) 17.710 7.921 ( 18.269 0.000 -0.153) 18.270 9.427 ( -0.897 0.000 0.000) 0.897 9.459 ( -1.891 0.000 -0.002) 1.891 10.646 ( 1.830 0.000 0.017) 1.830 10.829 ( -7.291 0.000 -0.089) 7.292 11.284 ( 7.376 0.000 0.000) 7.376 11.624 ( 0.844 0.000 -0.003) 0.844 14.245 ( 9.483 0.000 0.001) 9.483 14.828 ( -8.757 0.000 0.000) 8.757 17.226 ( 38.197 0.000 -0.218) 38.198 17.646 ( 27.288 0.000 0.005) 27.288 26.271 ( -3.086 0.000 0.000) 3.086 26.290 ( -3.705 0.000 -0.000) 3.705 27.819 ( 11.062 0.000 -0.000) 11.062 28.274 ( -16.095 0.000 0.606) 16.107 28.447 ( -13.703 0.000 -1.225) 13.758 28.582 ( -13.139 0.000 0.000) 13.139 30.106 ( 3.364 0.000 0.182) 3.369 30.281 ( -5.709 0.000 -0.541) 5.734 31.301 ( 19.618 0.000 -0.001) 19.618 31.783 ( 6.038 0.000 0.000) 6.038 34.869 ( -6.131 0.000 0.000) 6.131 34.885 ( -8.450 0.000 0.000) 8.450 46.912 ( 20.870 0.000 -0.040) 20.870 47.758 ( 18.956 0.000 0.041) 18.956 48.323 ( -18.299 0.000 0.088) 18.299 48.938 ( -13.351 0.000 -0.006) 13.351 78.832 ( 0.154 0.000 -0.000) 0.154 78.835 ( 0.064 0.000 -0.000) 0.064 80.954 ( 7.087 0.000 2.034) 7.373 81.035 ( 0.927 0.000 -1.009) 1.370 81.749 ( 18.390 0.000 1.810) 18.478 82.314 ( 1.782 0.000 -4.847) 5.164 89.415 ( 9.399 0.000 0.954) 9.448 90.018 ( -5.155 0.000 -0.072) 5.156 112.187 ( -0.014 0.000 0.063) 0.064 112.206 ( -0.522 0.000 0.001) 0.522======================= Grid point 126 (27/63) =======================q-point: ( 0.45 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 9.875 0.000 0.791) 9.906 1.725 ( 3.661 0.000 -0.879) 3.765 1.936 ( 9.728 0.000 -0.874) 9.767 1.979 ( 5.797 0.000 0.705) 5.840 2.383 ( 0.793 0.000 -0.771) 1.106 2.410 ( -0.563 0.000 -1.860) 1.943 2.451 ( -3.063 0.000 0.700) 3.142 2.492 ( -6.912 0.000 -0.419) 6.925 2.826 ( 5.156 0.000 0.355) 5.168 2.969 ( -5.693 0.000 3.008) 6.439 3.263 ( -0.018 0.000 -0.657) 0.657 3.300 ( -2.460 0.000 -0.173) 2.466 3.460 ( 3.256 0.000 0.085) 3.257 3.513 ( -2.046 0.000 -0.212) 2.057 4.647 ( 5.586 0.000 -2.142) 5.983 4.772 ( -6.108 0.000 -2.573) 6.628 4.836 ( 15.103 0.000 2.289) 15.275 5.172 ( -16.902 0.000 2.251) 17.051 5.944 ( 1.493 0.000 -0.006) 1.493 5.971 ( -1.197 0.000 0.021) 1.197 6.392 ( 2.990 0.000 0.499) 3.032 6.429 ( -0.793 0.000 -0.558) 0.970 8.142 ( 9.067 0.000 0.002) 9.067 8.178 ( 5.921 0.000 -0.109) 5.922 9.417 ( 0.034 0.000 -0.000) 0.034 9.429 ( -1.084 0.000 -0.002) 1.084 10.692 ( 2.570 0.000 -0.006) 2.570 10.738 ( -2.472 0.000 -0.037) 2.472 11.426 ( 6.917 0.000 0.020) 6.917 11.562 ( -6.064 0.000 0.038) 6.064 14.442 ( 10.056 0.000 0.001) 10.056 14.642 ( -9.785 0.000 0.001) 9.785 17.822 ( 19.924 0.000 -0.068) 19.924 17.979 ( 4.768 0.000 -0.034) 4.768 26.231 ( -0.844 0.000 0.000) 0.844 26.238 ( -1.507 0.000 0.000) 1.507 28.055 ( 12.476 0.000 -0.000) 12.476 28.078 ( -2.531 0.000 0.189) 2.538 28.174 ( -11.091 0.000 -0.222) 11.093 28.315 ( -13.350 0.000 -0.000) 13.350 30.166 ( 2.491 0.000 0.017) 2.491 30.210 ( -2.276 0.000 -0.224) 2.287 31.641 ( 13.496 0.000 -0.000) 13.496 31.815 ( -3.457 0.000 0.000) 3.457 34.767 ( -2.937 0.000 0.000) 2.937 34.771 ( -3.054 0.000 0.000) 3.054 47.348 ( 22.299 0.000 -0.015) 22.299 47.778 ( -18.757 0.000 0.027) 18.757 48.285 ( 16.291 0.000 0.002) 16.291 48.635 ( -16.780 0.000 0.003) 16.780 78.834 ( 0.104 0.000 -0.000) 0.104 78.835 ( -0.022 0.000 -0.000) 0.022 81.031 ( 1.781 0.000 0.385) 1.822 81.047 ( 0.047 0.000 0.085) 0.097 82.070 ( 13.065 0.000 0.504) 13.075 82.265 ( -6.294 0.000 -1.356) 6.438 89.648 ( 12.421 0.000 0.071) 12.421 89.873 ( -9.468 0.000 -0.061) 9.469 112.189 ( 0.265 0.000 0.018) 0.266 112.197 ( -0.443 0.000 0.005) 0.443======================= Grid point 133 (28/63) =======================q-point: ( 0.09 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( 5.664 5.664 15.138) 17.126 0.802 ( 17.551 17.551 1.710) 24.879 0.954 ( 15.595 15.595 -1.732) 22.123 1.186 ( 14.266 14.266 -1.566) 20.235 1.369 ( 18.725 18.725 1.540) 26.526 1.994 ( 5.479 5.479 -6.907) 10.380 2.603 ( 0.971 0.971 0.967) 1.680 2.712 ( 1.281 1.281 -4.465) 4.818 2.865 ( -2.305 -2.305 0.300) 3.273 2.914 ( 0.368 0.368 -0.874) 1.017 3.137 ( 6.126 6.126 0.285) 8.669 3.436 ( -1.657 -1.657 3.845) 4.503 3.443 ( 7.518 7.518 0.116) 10.633 3.788 ( 9.296 9.296 0.034) 13.147 3.920 ( 17.829 17.829 -8.101) 26.483 4.121 ( 19.113 19.113 -1.274) 27.060 5.217 ( -15.688 -15.688 16.623) 27.723 5.486 ( -18.532 -18.532 0.161) 26.208 5.688 ( -6.786 -6.786 -0.069) 9.598 5.908 ( -5.501 -5.501 0.074) 7.781 6.144 ( 8.736 8.736 -4.189) 13.046 6.410 ( 7.519 7.519 -1.978) 10.815 7.308 ( -6.990 -6.990 -0.006) 9.886 7.356 ( -4.010 -4.010 -0.002) 5.671 9.575 ( 3.129 3.129 -0.005) 4.425 9.670 ( 3.784 3.784 0.005) 5.351 9.876 ( 16.328 16.328 0.010) 23.092 10.549 ( 19.215 19.215 -8.661) 28.521 11.463 ( -10.109 -10.109 0.085) 14.297 11.642 ( -11.665 -11.665 -0.118) 16.498 13.999 ( 9.363 9.363 0.002) 13.241 14.716 ( 30.417 30.417 -6.861) 43.561 15.433 ( 10.796 10.796 -0.001) 15.268 15.467 ( 10.949 10.949 0.360) 15.488 26.518 ( -4.804 -4.804 0.000) 6.794 26.550 ( -3.978 -3.978 -0.000) 5.626 27.246 ( -0.739 -0.739 -0.000) 1.046 28.358 ( 25.483 25.483 -23.512) 43.029 29.011 ( -9.229 -9.229 0.000) 13.051 29.223 ( 1.328 1.328 0.976) 2.117 30.127 ( -0.093 -0.093 -0.003) 0.132 30.291 ( 6.360 6.360 -0.002) 8.994 31.051 ( -3.978 -3.978 0.003) 5.626 31.162 ( 0.942 0.942 -0.043) 1.333 35.151 ( -2.385 -2.385 0.018) 3.374 35.366 ( -4.524 -4.524 -0.079) 6.398 46.085 ( 6.252 6.252 0.000) 8.841 46.767 ( 9.428 9.428 -0.000) 13.333 49.209 ( -8.900 -8.900 2.318) 12.799 49.393 ( -2.872 -2.872 -0.036) 4.061 78.832 ( 0.396 0.396 0.000) 0.560 78.873 ( 2.432 2.432 -0.000) 3.440 79.448 ( 26.514 26.514 6.888) 38.124 80.914 ( 40.262 40.262 -60.210) 82.869 81.171 ( 2.089 2.089 -0.030) 2.955 81.240 ( 3.302 3.302 0.030) 4.670 90.018 ( -31.519 -31.519 31.698) 54.697 90.142 ( -0.501 -0.501 0.067) 0.712 112.218 ( -1.093 -1.093 1.098) 1.896 112.230 ( -0.218 -0.218 0.000) 0.309======================= Grid point 134 (29/63) =======================q-point: ( 0.18 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 12.404 4.890 11.036) 17.308 1.106 ( 14.820 15.152 0.344) 21.197 1.217 ( 8.684 3.338 -1.585) 9.438 1.406 ( 10.970 17.887 -0.260) 20.985 1.838 ( 22.330 3.174 0.011) 22.555 2.200 ( 13.064 5.625 -4.511) 14.922 2.621 ( 0.540 0.661 0.665) 1.083 2.721 ( 0.470 -0.943 -3.533) 3.686 2.813 ( -2.672 -2.124 0.181) 3.418 2.904 ( -1.497 1.432 -0.824) 2.230 3.286 ( 7.091 3.334 -0.400) 7.846 3.386 ( -2.682 -2.300 2.295) 4.213 3.517 ( 2.057 18.571 -0.068) 18.685 3.846 ( 0.243 23.512 0.337) 23.515 4.433 ( 24.257 8.425 -6.627) 26.520 4.654 ( 21.371 2.032 -0.580) 21.475 4.939 ( -8.676 -7.393 6.178) 12.966 5.087 ( -12.046 -8.261 6.765) 16.098 5.614 ( -1.136 -15.676 -0.867) 15.741 5.814 ( -4.118 -11.771 0.446) 12.479 6.306 ( 7.334 13.832 -2.502) 15.855 6.516 ( 3.633 12.039 -1.491) 12.664 7.217 ( -0.492 -12.585 -0.097) 12.595 7.300 ( -0.345 -8.153 0.057) 8.161 9.598 ( 0.140 9.109 -0.004) 9.110 9.690 ( -0.299 10.919 0.002) 10.923 10.299 ( 21.879 10.219 0.014) 24.148 10.965 ( 16.919 3.024 -2.528) 17.372 11.237 ( -10.441 -7.996 0.008) 13.151 11.395 ( -9.667 -8.790 0.003) 13.066 14.151 ( 6.958 18.543 -0.029) 19.806 15.359 ( -5.670 23.748 0.062) 24.416 15.505 ( 44.709 13.928 -2.500) 46.895 16.107 ( 38.583 -4.084 0.259) 38.800 26.404 ( -6.035 -5.358 -0.004) 8.070 26.447 ( -5.913 -4.471 -0.000) 7.414 27.285 ( 3.547 -10.440 -0.093) 11.027 28.738 ( -6.095 -1.865 -3.676) 7.358 28.779 ( 3.483 6.487 -7.292) 10.363 29.190 ( -4.795 5.794 1.243) 7.623 30.109 ( -0.285 7.151 0.041) 7.157 30.529 ( 16.268 2.376 -0.003) 16.441 30.826 ( -14.798 5.049 -0.183) 15.637 31.309 ( 10.678 -6.635 0.001) 12.572 35.080 ( -4.700 -2.544 0.036) 5.344 35.235 ( -8.359 -3.938 -0.075) 9.240 46.271 ( 12.125 5.225 -0.027) 13.203 47.033 ( 16.679 8.432 0.007) 18.689 48.976 ( -14.094 -6.696 1.057) 15.640 49.306 ( -5.852 -2.193 -0.038) 6.250 78.844 ( 0.720 1.246 0.000) 1.439 78.899 ( 0.531 5.931 0.017) 5.955 80.118 ( 36.039 14.753 9.114) 39.994 81.148 ( -0.981 15.766 -8.739) 18.052 81.240 ( 5.104 1.690 -0.003) 5.376 81.718 ( 27.159 -2.580 -24.613) 36.743 89.505 ( -17.218 -8.411 14.486) 24.022 90.131 ( -0.637 0.721 -0.024) 0.963 112.199 ( -0.753 -0.410 0.503) 0.994 112.224 ( -0.394 -0.207 0.000) 0.445======================= Grid point 135 (30/63) =======================q-point: ( 0.27 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 16.725 3.267 7.413) 18.584 1.341 ( 8.765 2.286 -1.513) 9.184 1.439 ( 15.110 9.671 -0.764) 17.956 1.643 ( 12.397 12.992 1.009) 17.985 2.184 ( 11.925 -1.201 -1.663) 12.100 2.396 ( 4.671 2.627 -1.575) 5.586 2.616 ( -1.238 0.757 0.047) 1.452 2.756 ( -2.258 -2.053 -0.654) 3.121 2.788 ( 5.807 0.579 -2.779) 6.463 2.855 ( -3.099 2.426 -1.005) 4.062 3.335 ( -1.878 -1.973 1.335) 3.033 3.372 ( 0.458 -0.262 1.326) 1.427 3.573 ( 3.578 20.637 -0.502) 20.951 3.840 ( -0.739 25.212 0.353) 25.225 4.572 ( -4.007 -4.336 -0.522) 5.927 4.639 ( -10.166 -5.713 0.421) 11.669 4.883 ( 4.721 4.275 -0.747) 6.413 5.369 ( 15.729 -0.272 4.326) 16.316 5.639 ( 2.811 -16.299 -1.210) 16.584 5.746 ( -1.880 -16.158 0.942) 16.294 6.443 ( 6.548 16.919 -0.158) 18.142 6.586 ( 3.715 15.082 -1.996) 15.661 7.330 ( 11.834 -18.656 -0.068) 22.093 7.382 ( 9.054 -13.073 0.055) 15.902 9.603 ( 0.667 12.355 -0.001) 12.373 9.691 ( 0.675 14.986 -0.006) 15.001 10.604 ( 6.247 3.586 0.032) 7.203 10.979 ( -9.995 -3.630 -0.284) 10.638 11.151 ( 3.928 -1.375 -0.012) 4.162 11.461 ( 10.619 -2.747 -0.208) 10.970 14.298 ( 7.858 20.602 -0.007) 22.050 15.221 ( -7.907 22.249 0.013) 23.612 16.420 ( 45.137 6.933 -0.663) 45.671 16.911 ( 39.534 -4.413 0.103) 39.779 26.290 ( -5.085 -5.810 -0.006) 7.721 26.329 ( -5.629 -5.082 -0.000) 7.584 27.363 ( 3.891 -18.825 -0.137) 19.223 28.349 ( -22.262 -21.323 0.329) 30.828 28.922 ( 1.362 23.281 -3.695) 23.611 29.048 ( -8.582 11.974 0.659) 14.747 30.136 ( 2.721 8.921 0.150) 9.328 30.536 ( -12.615 6.612 -0.453) 14.249 30.903 ( 20.235 1.346 -0.003) 20.279 31.540 ( 11.478 -6.328 0.000) 13.107 34.967 ( -6.359 -2.835 0.029) 6.962 35.046 ( -10.099 -3.385 -0.038) 10.651 46.563 ( 16.832 3.849 -0.039) 17.266 47.411 ( 20.362 7.036 0.019) 21.543 48.654 ( -17.715 -5.061 0.342) 18.427 49.157 ( -9.115 -1.169 -0.022) 9.190 78.859 ( 0.808 2.448 -0.000) 2.577 78.903 ( 0.016 6.715 0.016) 6.715 80.734 ( 22.496 7.368 6.388) 24.519 81.123 ( -1.151 10.173 -3.267) 10.746 81.408 ( 12.792 0.413 0.934) 12.833 82.110 ( 12.725 -5.820 -11.284) 17.976 89.340 ( 0.039 0.914 4.021) 4.123 90.112 ( -1.583 2.159 -0.057) 2.678 112.189 ( -0.343 -0.194 0.174) 0.431 112.215 ( -0.496 -0.191 0.000) 0.532======================= Grid point 136 (31/63) =======================q-point: ( 0.36 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 15.808 1.516 4.137) 16.411 1.547 ( 11.204 1.312 -1.418) 11.369 1.742 ( 14.458 6.187 -1.135) 15.768 1.889 ( 11.693 9.549 1.691) 15.191 2.336 ( 4.142 -2.401 -1.856) 5.135 2.416 ( -1.257 1.768 -0.649) 2.265 2.569 ( -3.202 2.011 0.003) 3.781 2.669 ( -5.526 -0.271 -1.271) 5.677 2.790 ( -2.901 0.488 -1.918) 3.511 2.942 ( 6.372 0.217 -0.671) 6.411 3.288 ( -4.140 -2.019 1.775) 4.936 3.328 ( -2.962 -2.315 1.905) 4.215 3.647 ( 3.656 21.407 -0.791) 21.731 3.816 ( -1.640 24.433 0.258) 24.489 4.543 ( 0.818 -3.673 -0.227) 3.770 4.574 ( 5.519 -4.203 0.640) 6.966 4.881 ( -3.887 1.945 -1.460) 4.585 5.407 ( -8.905 -3.527 1.686) 9.725 5.684 ( 1.480 -15.913 -0.756) 15.999 5.748 ( 0.011 -15.486 1.115) 15.526 6.568 ( 5.526 18.053 0.710) 18.894 6.651 ( 2.333 16.653 -1.310) 16.867 7.625 ( 14.777 -23.830 -0.134) 28.040 7.629 ( 13.534 -19.221 0.028) 23.508 9.632 ( 2.294 16.172 0.002) 16.333 9.715 ( 1.326 19.495 -0.017) 19.540 10.640 ( 0.944 -1.174 0.020) 1.506 10.799 ( -6.542 -2.894 -0.078) 7.154 11.309 ( 8.517 4.201 0.005) 9.497 11.598 ( 2.192 -0.597 0.015) 2.272 14.466 ( 8.923 20.419 0.000) 22.284 15.047 ( -9.359 20.829 0.001) 22.835 17.253 ( 36.495 2.850 -0.173) 36.606 17.604 ( 27.735 -3.978 -0.001) 28.019 26.207 ( -3.166 -6.078 -0.004) 6.853 26.231 ( -3.949 -5.634 -0.001) 6.880 27.430 ( 2.742 -26.921 -0.116) 27.061 27.915 ( -19.630 -24.958 0.227) 31.753 28.850 ( -6.777 27.084 -0.793) 27.930 28.873 ( -8.347 19.264 0.186) 20.996 30.200 ( 3.279 9.033 0.128) 9.610 30.358 ( -5.284 7.401 -0.444) 9.104 31.304 ( 19.027 0.310 -0.003) 19.029 31.733 ( 6.902 -5.005 -0.003) 8.526 34.837 ( -6.250 -3.116 0.016) 6.984 34.854 ( -8.387 -3.062 -0.015) 8.928 46.934 ( 20.048 2.257 -0.029) 20.175 47.812 ( 17.712 5.286 0.035) 18.484 48.289 ( -17.064 -3.311 0.073) 17.383 48.939 ( -12.661 0.111 -0.006) 12.662 78.875 ( 0.710 3.713 -0.001) 3.780 78.901 ( -0.192 6.461 0.007) 6.464 81.002 ( 6.551 4.637 2.278) 8.343 81.106 ( -0.574 6.923 -1.203) 7.050 81.734 ( 17.403 -1.522 1.611) 17.544 82.255 ( 2.318 -5.532 -4.306) 7.384 89.460 ( 10.452 4.525 0.726) 11.413 90.054 ( -4.486 3.560 -0.073) 5.728 112.185 ( 0.000 -0.132 0.054) 0.143 112.205 ( -0.510 -0.170 0.001) 0.538======================= Grid point 137 (32/63) =======================q-point: ( 0.45 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 9.154 0.270 0.726) 9.187 1.713 ( 3.308 0.155 -0.825) 3.413 1.999 ( 10.387 4.866 -1.204) 11.534 2.073 ( 4.717 7.794 0.644) 9.133 2.354 ( -2.066 -2.960 -1.280) 3.830 2.370 ( -2.782 0.211 -0.400) 2.819 2.527 ( 0.382 4.954 -0.236) 4.974 2.578 ( -3.522 5.137 -0.717) 6.269 2.781 ( 4.373 -4.112 0.348) 6.013 2.940 ( -7.581 -2.645 3.751) 8.862 3.230 ( 1.166 -2.044 -0.662) 2.444 3.281 ( -2.608 -1.575 -0.273) 3.059 3.717 ( 3.257 22.011 -0.347) 22.253 3.775 ( -2.500 22.902 0.091) 23.038 4.628 ( 6.479 -1.006 -2.014) 6.859 4.765 ( -4.976 -0.287 -2.173) 5.437 4.796 ( 13.504 -2.983 2.094) 13.987 5.132 ( -16.882 -3.765 1.965) 17.408 5.704 ( 0.875 -17.131 -0.245) 17.156 5.728 ( -1.428 -16.984 0.349) 17.047 6.650 ( 2.565 18.299 0.264) 18.480 6.674 ( 0.001 17.848 -0.341) 17.851 7.835 ( 5.789 -24.471 -0.008) 25.146 7.839 ( 5.492 -26.486 -0.100) 27.050 9.686 ( 2.663 19.748 -0.002) 19.927 9.724 ( -0.807 21.374 -0.014) 21.390 10.683 ( 2.688 -1.120 -0.002) 2.912 10.724 ( -1.803 -1.350 -0.034) 2.253 11.451 ( 6.077 4.146 0.021) 7.357 11.563 ( -4.658 1.889 0.036) 5.027 14.654 ( 9.728 19.877 0.000) 22.130 14.852 ( -9.962 19.940 -0.000) 22.291 17.818 ( 18.556 -0.197 -0.055) 18.557 17.951 ( 5.742 -2.548 -0.029) 6.282 26.166 ( -0.825 -6.153 -0.002) 6.208 26.175 ( -1.641 -6.008 -0.001) 6.228 27.483 ( 3.292 -31.127 -0.050) 31.300 27.609 ( -10.421 -28.963 0.069) 30.781 28.733 ( -3.333 29.616 -0.131) 29.803 28.742 ( -4.050 24.967 0.107) 25.293 30.256 ( 2.274 8.742 0.003) 9.033 30.295 ( -1.906 8.166 -0.198) 8.388 31.630 ( 12.611 -1.216 -0.003) 12.670 31.783 ( -2.441 -3.148 -0.003) 3.984 34.735 ( -3.009 -3.075 -0.003) 4.303 34.738 ( -3.039 -3.199 0.006) 4.412 47.354 ( 21.530 0.621 -0.012) 21.539 47.775 ( -19.227 -0.397 0.023) 19.231 48.309 ( 16.792 2.397 0.002) 16.962 48.650 ( -16.098 1.511 0.002) 16.168 78.887 ( 0.530 4.848 -0.000) 4.877 78.896 ( -0.351 5.780 0.001) 5.790 81.075 ( 1.802 4.253 0.628) 4.662 81.096 ( -0.566 4.954 -0.153) 4.989 82.038 ( 12.354 -3.131 0.444) 12.752 82.219 ( -5.647 -4.400 -1.222) 7.262 89.701 ( 12.414 5.297 0.039) 13.497 89.921 ( -8.996 4.718 -0.062) 10.159 112.188 ( 0.261 -0.129 0.016) 0.291 112.195 ( -0.432 -0.147 0.005) 0.456======================= Grid point 145 (33/63) =======================q-point: ( 0.18 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( 10.617 10.617 9.789) 17.923 1.289 ( 5.207 5.207 -1.935) 7.613 1.393 ( 11.914 11.914 1.350) 16.902 1.725 ( 11.731 11.731 -1.875) 16.696 1.967 ( 10.043 10.043 -0.052) 14.203 2.356 ( 8.205 8.205 -3.235) 12.046 2.634 ( 0.385 0.385 1.793) 1.874 2.718 ( 1.227 1.227 -3.307) 3.734 2.776 ( -1.393 -1.393 -0.206) 1.980 2.921 ( -0.049 -0.049 -1.322) 1.324 3.328 ( -2.678 -2.678 1.564) 4.097 3.354 ( 2.087 2.087 -1.165) 3.173 3.826 ( 10.259 10.259 0.087) 14.509 4.281 ( 13.895 13.895 0.041) 19.651 4.573 ( -4.141 -4.141 -0.237) 5.861 4.694 ( -6.686 -6.686 -2.065) 9.679 4.881 ( 12.775 12.775 0.089) 18.066 5.049 ( 13.857 13.857 6.875) 20.768 5.354 ( -8.725 -8.725 -0.040) 12.339 5.603 ( -9.338 -9.338 0.060) 13.207 6.566 ( 11.741 11.741 -1.267) 16.653 6.729 ( 8.839 8.839 -1.285) 12.566 6.983 ( -8.538 -8.538 -0.052) 12.074 7.136 ( -6.586 -6.586 0.032) 9.314 9.747 ( 5.269 5.269 -0.006) 7.452 9.859 ( 5.634 5.634 0.006) 7.968 10.562 ( 11.653 11.653 0.039) 16.480 11.037 ( -2.967 -2.967 -0.622) 4.242 11.096 ( -2.273 -2.273 -0.012) 3.214 11.288 ( 5.079 5.079 -0.175) 7.185 14.514 ( 15.689 15.689 0.004) 22.187 15.943 ( 18.546 18.546 -0.253) 26.230 15.957 ( 23.359 23.359 -0.636) 33.041 16.036 ( 18.666 18.666 -0.004) 26.398 26.273 ( -7.014 -7.014 0.000) 9.919 26.331 ( -6.700 -6.700 -0.001) 9.475 27.112 ( -6.869 -6.869 0.001) 9.714 28.361 ( -22.534 -22.534 -0.001) 31.867 29.152 ( 15.011 15.011 -5.054) 21.822 29.265 ( 2.766 2.766 0.203) 3.917 30.262 ( 6.739 6.739 -0.004) 9.531 30.652 ( 11.046 11.046 -0.001) 15.621 30.894 ( -2.787 -2.787 0.004) 3.942 31.204 ( 0.991 0.991 -0.022) 1.401 35.004 ( -5.029 -5.029 0.076) 7.112 35.119 ( -7.492 -7.492 -0.118) 10.596 46.427 ( 10.331 10.331 0.000) 14.610 47.272 ( 14.933 14.933 -0.000) 21.119 48.786 ( -11.940 -11.940 0.530) 16.894 49.238 ( -4.599 -4.599 -0.030) 6.504 78.877 ( 2.056 2.056 0.000) 2.908 79.004 ( 3.894 3.894 -0.000) 5.506 80.520 ( 23.356 23.356 8.689) 34.154 81.290 ( 3.790 3.790 -0.065) 5.360 81.399 ( 4.189 4.189 0.065) 5.925 81.746 ( 8.501 8.501 -20.090) 23.413 89.368 ( -3.439 -3.439 6.553) 8.161 90.152 ( 1.203 1.203 -0.047) 1.702 112.191 ( -0.423 -0.423 0.258) 0.652 112.218 ( -0.373 -0.373 0.000) 0.528======================= Grid point 146 (34/63) =======================q-point: ( 0.27 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 14.328 8.014 7.567) 18.077 1.421 ( 8.457 5.910 -1.931) 10.497 1.623 ( 11.394 8.039 0.663) 13.961 1.913 ( 8.640 12.370 -0.656) 15.103 2.167 ( 8.119 -0.124 -1.980) 8.358 2.460 ( 2.007 3.075 -1.032) 3.815 2.629 ( -0.921 0.532 1.363) 1.729 2.713 ( -3.018 -2.580 -0.593) 4.015 2.831 ( 6.893 3.913 -3.412) 8.630 2.898 ( -2.136 1.734 -1.569) 3.167 3.283 ( -1.546 -2.822 1.267) 3.458 3.351 ( -2.903 -2.142 0.377) 3.627 3.967 ( 5.152 14.774 -0.142) 15.647 4.374 ( -3.757 15.944 1.466) 16.446 4.447 ( -6.152 -6.509 -0.560) 8.973 4.510 ( -1.202 -0.038 0.850) 1.473 5.071 ( -1.798 11.603 -0.497) 11.752 5.355 ( 8.639 -4.746 -0.573) 9.873 5.408 ( 1.417 -3.243 0.892) 3.650 5.461 ( 5.244 -6.366 1.722) 8.426 6.768 ( 8.563 15.098 0.248) 17.359 6.875 ( 6.374 12.951 -1.640) 14.527 6.939 ( 4.570 -17.934 -0.086) 18.507 7.096 ( 3.285 -13.768 0.127) 14.155 9.833 ( 4.138 9.433 -0.004) 10.301 9.957 ( 4.947 10.224 -0.002) 11.358 10.616 ( -3.136 -3.561 0.037) 4.745 10.867 ( -9.621 -7.307 -0.120) 12.082 11.254 ( 14.272 12.975 0.002) 19.289 11.517 ( 12.071 8.965 -0.047) 15.036 14.772 ( 10.721 24.071 0.001) 26.351 15.806 ( -9.865 33.531 0.024) 34.952 16.648 ( 37.086 16.227 -0.320) 40.482 16.797 ( 39.539 -5.794 0.028) 39.961 26.142 ( -5.808 -8.302 -0.003) 10.132 26.196 ( -6.454 -7.691 -0.001) 10.040 26.992 ( -5.383 -17.402 -0.028) 18.215 27.869 ( -25.746 -26.199 0.046) 36.733 29.236 ( -1.234 8.395 0.866) 8.529 29.406 ( 5.898 21.621 -2.514) 22.551 30.368 ( 4.303 13.134 0.029) 13.821 30.716 ( -10.619 10.587 -0.133) 14.996 30.956 ( 17.839 4.372 -0.005) 18.367 31.369 ( 11.688 -9.894 0.005) 15.313 34.884 ( -6.745 -5.455 0.069) 8.675 34.946 ( -9.342 -6.402 -0.083) 11.326 46.678 ( 14.579 7.671 -0.007) 16.474 47.610 ( 18.204 12.448 0.005) 22.053 48.508 ( -15.528 -9.364 0.194) 18.134 49.119 ( -7.408 -2.668 -0.017) 7.874 78.922 ( 2.369 3.680 0.000) 4.377 79.052 ( 1.091 7.072 0.009) 7.156 80.943 ( 16.144 12.964 5.671) 21.467 81.366 ( -3.333 12.197 -1.461) 12.728 81.422 ( 9.696 1.393 0.445) 9.806 81.971 ( 10.423 -7.058 -8.297) 15.076 89.400 ( 6.447 5.560 1.854) 8.713 90.171 ( 0.432 3.588 -0.069) 3.615 112.184 ( -0.224 -0.244 0.102) 0.347 112.210 ( -0.468 -0.341 0.000) 0.579======================= Grid point 147 (35/63) =======================q-point: ( 0.36 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 13.866 5.308 3.624) 15.283 1.622 ( 10.442 6.343 -1.131) 12.269 1.852 ( 11.443 4.348 -0.081) 12.241 2.094 ( 9.246 9.814 0.603) 13.497 2.283 ( 3.927 -2.436 -1.465) 4.848 2.467 ( -0.968 3.127 -0.570) 3.322 2.598 ( -1.851 -0.188 -0.102) 1.864 2.626 ( -4.475 -2.516 -1.965) 5.497 2.826 ( -4.677 2.683 -1.923) 5.725 2.963 ( 3.771 1.750 -0.319) 4.170 3.234 ( -6.058 -3.465 2.041) 7.271 3.271 ( -1.481 -3.151 1.154) 3.668 4.051 ( 3.429 13.930 -0.592) 14.358 4.264 ( -5.085 8.797 0.320) 10.166 4.445 ( 7.012 -6.137 1.283) 9.407 4.584 ( 5.881 13.200 -0.774) 14.472 4.998 ( -3.975 8.912 -0.355) 9.764 5.267 ( -8.407 -11.127 0.242) 13.948 5.420 ( -1.765 -7.189 -0.977) 7.466 5.534 ( -4.269 -3.277 1.714) 5.648 6.921 ( 6.511 16.113 0.782) 17.396 6.982 ( 4.048 14.990 -1.088) 15.565 7.124 ( 11.211 -23.330 -0.228) 25.885 7.225 ( 7.588 -19.165 0.046) 20.613 9.926 ( 4.941 11.664 -0.000) 12.667 10.052 ( 3.716 12.615 -0.013) 13.151 10.582 ( 0.967 -4.189 0.020) 4.299 10.720 ( -4.361 -4.805 -0.058) 6.489 11.511 ( 10.081 15.821 0.021) 18.760 11.689 ( 4.728 10.541 0.025) 11.553 14.968 ( 9.367 27.374 0.002) 28.932 15.594 ( -11.127 31.519 -0.000) 33.425 17.352 ( 31.313 7.542 -0.088) 32.208 17.504 ( 29.084 -5.189 -0.008) 29.543 26.048 ( -3.523 -9.182 -0.006) 9.835 26.083 ( -4.614 -8.618 -0.002) 9.775 26.897 ( -3.782 -25.639 -0.037) 25.917 27.374 ( -22.508 -28.540 0.060) 36.348 29.207 ( -0.929 15.755 0.420) 15.788 29.419 ( -3.969 26.775 -0.732) 27.077 30.444 ( 3.229 14.525 0.040) 14.880 30.560 ( -4.450 12.280 -0.235) 13.064 31.314 ( 16.815 0.604 -0.007) 16.825 31.587 ( 8.941 -9.300 -0.000) 12.900 34.747 ( -6.451 -5.749 0.041) 8.641 34.766 ( -8.070 -5.592 -0.039) 9.818 47.002 ( 17.565 4.512 -0.011) 18.135 47.956 ( 12.053 8.380 0.025) 14.680 48.198 ( -11.388 -5.277 0.038) 12.552 48.939 ( -10.649 -0.232 -0.005) 10.652 78.969 ( 2.228 5.360 -0.001) 5.804 79.057 ( -0.404 8.190 0.008) 8.200 81.136 ( 4.827 8.660 2.110) 10.137 81.293 ( -3.323 10.970 -0.909) 11.498 81.692 ( 14.849 -2.465 1.096) 15.092 82.111 ( 3.260 -8.355 -3.142) 9.503 89.599 ( 12.439 9.345 0.306) 15.561 90.153 ( -2.615 6.037 -0.074) 6.580 112.182 ( 0.021 -0.191 0.035) 0.195 112.200 ( -0.476 -0.298 0.001) 0.562======================= Grid point 148 (36/63) =======================q-point: ( 0.45 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 8.667 4.122 0.065) 9.598 1.763 ( 2.081 4.983 -0.787) 5.458 2.075 ( 10.587 2.021 -0.773) 10.806 2.236 ( -0.317 6.813 0.046) 6.820 2.304 ( 1.491 -1.386 -0.926) 2.237 2.409 ( -4.968 3.475 -0.828) 6.119 2.608 ( 2.968 1.077 -0.786) 3.254 2.633 ( 6.943 0.060 0.354) 6.952 2.719 ( -4.512 0.791 -0.774) 4.646 2.879 ( -11.331 -3.004 4.875) 12.696 3.191 ( 2.152 -1.868 -0.677) 2.929 3.241 ( -2.082 -2.342 -0.093) 3.135 4.117 ( 3.289 12.106 -0.644) 12.562 4.183 ( -3.411 10.454 -0.471) 11.006 4.670 ( 12.735 -3.710 0.985) 13.300 4.721 ( 6.974 8.694 -0.938) 11.185 4.916 ( -3.463 15.828 -0.488) 16.210 5.053 ( -13.236 -1.988 1.006) 13.422 5.370 ( -1.349 -15.255 -0.327) 15.318 5.407 ( -5.265 -13.627 0.609) 14.621 7.015 ( 2.765 17.104 0.266) 17.328 7.032 ( 0.914 16.755 -0.254) 16.782 7.301 ( 5.463 -25.069 -0.142) 25.657 7.332 ( 2.229 -23.666 -0.032) 23.770 10.017 ( 3.945 12.054 -0.004) 12.684 10.075 ( -1.410 12.367 -0.011) 12.448 10.642 ( 3.665 -2.762 0.004) 4.589 10.684 ( -0.625 -2.614 -0.024) 2.688 11.654 ( 4.654 16.121 0.022) 16.779 11.715 ( -1.458 13.876 0.022) 13.952 15.160 ( 9.978 28.528 -0.000) 30.222 15.370 ( -10.989 29.691 -0.002) 31.660 17.828 ( 14.624 1.700 -0.030) 14.723 17.893 ( 8.540 -2.587 -0.018) 8.923 26.004 ( -0.817 -9.507 -0.005) 9.542 26.016 ( -2.011 -9.282 -0.003) 9.498 26.870 ( 2.053 -29.857 -0.012) 29.928 27.013 ( -12.757 -30.148 0.027) 32.736 29.218 ( 2.391 22.684 0.132) 22.810 29.305 ( -5.925 27.106 -0.115) 27.746 30.493 ( 1.662 14.175 -0.018) 14.272 30.516 ( -0.976 13.216 -0.135) 13.253 31.590 ( 9.916 -2.856 -0.007) 10.319 31.687 ( 0.341 -6.440 -0.006) 6.449 34.647 ( -2.904 -5.677 0.015) 6.377 34.648 ( -3.165 -5.428 -0.008) 6.284 47.372 ( 19.120 1.186 -0.005) 19.157 47.755 ( -18.707 -1.686 0.013) 18.783 48.383 ( 16.437 4.961 0.002) 17.169 48.692 ( -14.025 2.491 0.001) 14.245 79.010 ( 1.800 6.856 -0.001) 7.089 79.040 ( -1.222 7.914 0.002) 8.008 81.197 ( 2.092 7.817 0.646) 8.118 81.238 ( -2.228 8.835 -0.153) 9.113 81.953 ( 10.535 -5.031 0.285) 11.678 82.101 ( -4.087 -6.978 -0.925) 8.140 89.854 ( 12.031 9.661 -0.015) 15.429 90.053 ( -7.559 8.219 -0.062) 11.167 112.185 ( 0.239 -0.206 0.011) 0.316 112.191 ( -0.397 -0.250 0.003) 0.469======================= Grid point 157 (37/63) =======================q-point: ( 0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 11.210 11.210 5.802) 16.882 1.581 ( 9.955 9.955 -1.159) 14.126 1.770 ( 7.123 7.123 0.645) 10.095 2.111 ( 7.638 7.638 -1.485) 10.903 2.192 ( 2.601 2.601 -2.563) 4.484 2.507 ( 1.678 1.678 -0.370) 2.402 2.636 ( -0.136 -0.136 2.599) 2.606 2.641 ( -4.591 -4.591 -1.597) 6.686 2.916 ( -0.100 -0.100 -1.890) 1.895 2.932 ( 5.274 5.274 -2.341) 7.818 3.237 ( -1.599 -1.599 1.286) 2.602 3.274 ( -5.734 -5.734 0.335) 8.116 4.151 ( 5.100 5.100 0.151) 7.214 4.287 ( -4.749 -4.749 0.859) 6.771 4.331 ( -5.199 -5.199 0.819) 7.398 4.762 ( 8.551 8.551 0.050) 12.093 5.071 ( -5.092 -5.092 -0.074) 7.202 5.198 ( -10.302 -10.302 0.036) 14.570 5.520 ( 10.860 10.860 -0.948) 15.387 5.610 ( 8.394 8.394 1.546) 11.971 6.680 ( -5.776 -5.776 -0.077) 8.169 6.872 ( -5.966 -5.966 0.071) 8.438 7.044 ( 11.597 11.597 0.327) 16.404 7.113 ( 9.889 9.889 -1.022) 14.023 9.986 ( 6.576 6.576 -0.002) 9.300 10.123 ( 7.390 7.390 0.003) 10.451 10.524 ( -3.680 -3.680 0.025) 5.204 10.715 ( -7.057 -7.057 -0.065) 9.980 11.583 ( 17.131 17.131 0.027) 24.227 11.758 ( 12.895 12.895 0.010) 18.236 15.194 ( 17.508 17.508 0.004) 24.760 16.309 ( 5.773 5.773 0.011) 8.164 16.866 ( 21.898 21.898 -0.006) 30.968 17.067 ( 24.688 24.688 -0.107) 34.914 25.982 ( -7.292 -7.292 0.001) 10.312 26.039 ( -7.532 -7.532 -0.001) 10.652 26.671 ( -14.645 -14.645 0.002) 20.711 27.321 ( -27.838 -27.838 -0.001) 39.369 29.378 ( 6.317 6.317 0.623) 8.955 29.760 ( 12.845 12.845 -1.315) 18.214 30.608 ( 9.714 9.714 -0.006) 13.738 30.882 ( 2.239 2.239 0.006) 3.166 31.098 ( 10.047 10.047 -0.007) 14.209 31.232 ( 0.366 0.366 -0.006) 0.518 34.756 ( -7.073 -7.073 0.071) 10.003 34.798 ( -8.134 -8.134 -0.077) 11.503 46.867 ( 11.024 11.024 0.000) 15.590 47.891 ( 15.144 15.144 -0.000) 21.417 48.288 ( -12.447 -12.447 0.082) 17.603 49.046 ( -4.756 -4.756 -0.010) 6.726 79.000 ( 3.974 3.974 0.000) 5.620 79.161 ( 3.608 3.608 -0.000) 5.103 81.207 ( 11.338 11.338 4.180) 16.570 81.465 ( 4.770 4.770 -0.129) 6.747 81.545 ( 2.853 2.853 0.130) 4.036 81.887 ( 0.271 0.271 -5.408) 5.422 89.570 ( 11.219 11.219 0.498) 15.874 90.243 ( 3.193 3.193 -0.075) 4.517 112.180 ( -0.152 -0.152 0.046) 0.221 112.202 ( -0.421 -0.421 0.000) 0.595======================= Grid point 158 (38/63) =======================q-point: ( 0.36 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 11.748 8.625 1.473) 14.648 1.792 ( 9.705 10.124 0.588) 14.037 1.919 ( 7.824 2.677 0.259) 8.274 2.241 ( 3.621 2.121 -2.166) 4.723 2.265 ( 6.636 3.340 -0.103) 7.430 2.507 ( -3.798 -2.952 -2.082) 5.242 2.555 ( -1.399 2.228 -0.908) 2.783 2.629 ( 0.049 0.854 1.616) 1.828 2.882 ( -3.462 2.670 -2.143) 4.869 2.991 ( -1.958 -0.096 1.310) 2.358 3.150 ( -4.072 -4.371 0.525) 5.997 3.214 ( -0.942 -2.407 0.941) 2.751 4.189 ( 0.590 3.090 0.236) 3.155 4.259 ( -1.466 -2.257 -0.627) 2.764 4.337 ( 8.075 -4.015 1.081) 9.082 4.857 ( 1.684 6.344 0.004) 6.563 5.011 ( -0.638 -6.426 -0.062) 6.458 5.030 ( -5.436 -10.667 0.050) 11.973 5.545 ( -7.083 13.409 -0.721) 15.182 5.607 ( -8.836 7.304 0.867) 11.497 6.718 ( 7.023 -15.101 -0.081) 16.654 6.857 ( 2.880 -13.495 0.091) 13.799 7.237 ( 7.519 13.028 0.338) 15.046 7.274 ( 6.077 12.260 -0.610) 13.697 10.109 ( 5.506 7.673 0.001) 9.444 10.250 ( 4.061 8.604 -0.002) 9.514 10.510 ( 2.482 -2.181 0.017) 3.305 10.617 ( -1.894 -5.168 -0.038) 5.504 11.875 ( 11.381 18.547 0.033) 21.761 11.972 ( 7.808 15.609 0.006) 17.453 15.483 ( 12.149 22.663 0.003) 25.714 16.185 ( -11.337 23.406 -0.004) 26.006 17.461 ( 29.099 3.481 -0.008) 29.307 17.569 ( 23.293 14.076 -0.032) 27.215 25.862 ( -4.555 -9.009 -0.001) 10.095 25.906 ( -5.575 -8.654 -0.002) 10.294 26.418 ( -10.013 -21.800 -0.001) 23.989 26.794 ( -23.616 -28.641 0.007) 37.122 29.503 ( 6.519 14.015 0.315) 15.460 29.895 ( 0.412 20.083 -0.476) 20.092 30.744 ( 4.216 14.445 -0.002) 15.048 30.824 ( -3.594 13.294 -0.061) 13.771 31.330 ( 11.705 1.079 -0.012) 11.755 31.380 ( 9.955 -10.574 0.008) 14.523 34.616 ( -6.418 -7.065 0.047) 9.545 34.638 ( -7.326 -6.951 -0.044) 10.099 47.114 ( 13.526 6.592 -0.001) 15.047 48.006 ( -13.955 -6.450 0.028) 15.374 48.210 ( 14.803 9.331 -0.000) 17.499 48.924 ( -7.495 -1.389 -0.004) 7.622 79.077 ( 3.645 5.264 -0.000) 6.403 79.200 ( 0.473 5.600 0.001) 5.620 81.335 ( 2.689 10.532 1.676) 10.998 81.507 ( -4.168 9.355 -0.260) 10.245 81.645 ( 11.400 -1.886 0.417) 11.563 81.946 ( 3.108 -7.371 -2.115) 8.274 89.824 ( 13.354 12.691 0.047) 18.422 90.281 ( 0.125 6.225 -0.067) 6.227 112.178 ( 0.012 -0.153 0.018) 0.155 112.193 ( -0.417 -0.356 0.001) 0.548======================= Grid point 159 (39/63) =======================q-point: ( 0.45 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 8.479 7.263 -1.551) 11.272 1.900 ( 0.131 8.153 -0.763) 8.190 2.081 ( 8.242 -0.909 -0.128) 8.293 2.234 ( -5.639 -2.888 0.256) 6.341 2.387 ( 4.951 5.301 -2.138) 7.562 2.493 ( -4.117 4.409 -0.103) 6.033 2.542 ( 8.950 -3.114 1.830) 9.652 2.686 ( 4.861 2.959 0.098) 5.692 2.764 ( -8.444 1.391 0.262) 8.561 2.840 ( -9.106 -0.023 1.089) 9.171 3.153 ( 1.986 -2.000 0.155) 2.823 3.190 ( -1.571 -2.661 0.525) 3.134 4.216 ( 1.658 1.760 -0.448) 2.459 4.241 ( -0.808 0.238 -0.959) 1.277 4.558 ( 12.619 -4.864 0.932) 13.556 4.781 ( -8.532 -4.421 0.337) 9.615 5.043 ( 4.342 -7.920 -0.049) 9.032 5.046 ( 3.812 -10.877 0.040) 11.526 5.353 ( -9.067 15.635 -0.336) 18.077 5.368 ( -10.886 12.177 0.198) 16.335 6.853 ( 5.070 -17.592 -0.046) 18.308 6.901 ( 0.290 -17.011 0.027) 17.013 7.342 ( 2.890 13.880 0.114) 14.178 7.353 ( 1.754 13.641 -0.193) 13.755 10.199 ( 3.636 7.607 0.000) 8.432 10.260 ( -2.147 7.846 -0.004) 8.134 10.593 ( 4.137 -1.786 0.006) 4.506 10.626 ( 0.816 -2.894 -0.012) 3.007 12.032 ( 4.469 19.590 0.021) 20.094 12.063 ( 1.363 18.595 0.006) 18.644 15.711 ( 11.177 24.595 0.001) 27.015 15.943 ( -12.107 24.985 -0.002) 27.764 17.888 ( 11.938 3.310 -0.009) 12.388 17.912 ( 9.181 7.267 -0.012) 11.709 25.805 ( -0.996 -10.115 -0.003) 10.164 25.822 ( -2.655 -9.736 -0.003) 10.091 26.303 ( -0.561 -26.043 0.001) 26.049 26.422 ( -12.649 -28.164 0.007) 30.874 29.648 ( 7.927 20.174 0.104) 21.675 29.809 ( -7.449 22.984 -0.082) 24.161 30.792 ( 0.904 14.919 -0.022) 14.946 30.795 ( 0.044 13.970 -0.066) 13.971 31.513 ( 5.548 -4.869 -0.009) 7.381 31.530 ( 3.853 -9.055 -0.001) 9.841 34.521 ( -2.537 -6.671 0.018) 7.137 34.527 ( -3.218 -6.417 -0.011) 7.178 47.401 ( 15.007 1.747 -0.001) 15.108 47.707 ( -15.364 -3.048 0.006) 15.664 48.500 ( 13.557 6.420 0.001) 15.000 48.743 ( -10.636 2.434 -0.000) 10.911 79.143 ( 2.822 6.126 -0.000) 6.745 79.187 ( -1.533 6.353 0.001) 6.536 81.375 ( 1.990 9.384 0.541) 9.608 81.427 ( -3.377 9.407 0.002) 9.995 81.850 ( 8.232 -4.885 0.077) 9.573 81.958 ( -2.358 -6.904 -0.654) 7.325 90.072 ( 10.675 11.600 -0.037) 15.764 90.233 ( -5.188 9.173 -0.053) 10.538 112.180 ( 0.188 -0.205 0.006) 0.279 112.186 ( -0.333 -0.280 0.002) 0.435======================= Grid point 169 (40/63) =======================q-point: ( 0.36 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 9.839 9.839 -1.560) 14.001 1.976 ( 3.300 3.300 0.125) 4.668 1.991 ( 8.321 8.321 2.097) 11.953 2.246 ( -1.336 -1.336 -0.389) 1.929 2.347 ( 4.297 4.297 -0.959) 6.152 2.439 ( -1.104 -1.104 -3.445) 3.782 2.637 ( 0.317 0.317 3.087) 3.120 2.645 ( 4.632 4.632 -1.002) 6.626 2.904 ( -7.872 -7.872 1.854) 11.285 2.918 ( 0.256 0.256 -2.317) 2.345 3.105 ( -0.361 -0.361 0.930) 1.060 3.171 ( -2.006 -2.006 0.886) 2.972 4.240 ( 1.159 1.159 -0.851) 1.847 4.265 ( 1.844 1.844 0.099) 2.610 4.316 ( 5.039 5.039 1.085) 7.208 4.812 ( -7.059 -7.059 -0.024) 9.983 4.883 ( -5.283 -5.283 -0.100) 7.471 4.925 ( -1.279 -1.279 0.139) 1.814 5.631 ( -5.994 -5.994 0.365) 8.485 5.667 ( -3.555 -3.555 -0.535) 5.056 6.569 ( 0.080 0.080 -0.041) 0.120 6.696 ( -2.736 -2.736 0.053) 3.870 7.456 ( 8.560 8.560 0.264) 12.109 7.476 ( 7.768 7.768 -0.353) 10.991 10.251 ( 6.210 6.210 0.006) 8.782 10.416 ( 6.658 6.658 -0.002) 9.416 10.511 ( 2.400 2.400 0.011) 3.394 10.528 ( -2.616 -2.616 -0.020) 3.699 12.198 ( 12.887 12.887 0.031) 18.225 12.248 ( 10.976 10.976 -0.005) 15.523 15.852 ( 14.503 14.503 0.003) 20.510 16.407 ( -0.369 -0.369 -0.003) 0.522 17.709 ( 19.056 19.056 -0.007) 26.949 17.884 ( 15.762 15.762 -0.011) 22.292 25.698 ( -7.200 -7.200 0.001) 10.182 25.747 ( -7.117 -7.117 -0.002) 10.065 26.050 ( -14.167 -14.167 0.002) 20.035 26.267 ( -22.745 -22.745 -0.001) 32.166 29.773 ( 13.010 13.010 0.173) 18.400 30.189 ( 8.305 8.305 -0.240) 11.748 30.980 ( 8.157 8.157 -0.008) 11.535 31.033 ( 4.457 4.457 0.006) 6.304 31.238 ( 0.098 0.098 -0.001) 0.138 31.361 ( 2.119 2.119 -0.014) 2.997 34.480 ( -5.990 -5.990 0.033) 8.471 34.501 ( -6.288 -6.288 -0.030) 8.893 47.264 ( 8.294 8.294 0.000) 11.730 47.836 ( -9.549 -9.549 0.010) 13.504 48.425 ( 10.908 10.908 -0.000) 15.426 48.877 ( -3.475 -3.475 -0.002) 4.914 79.174 ( 4.329 4.329 0.000) 6.123 79.275 ( 2.016 2.016 -0.000) 2.851 81.506 ( 4.558 4.558 1.289) 6.573 81.619 ( 0.921 0.921 0.210) 1.320 81.653 ( 4.297 4.297 -0.207) 6.081 81.852 ( -1.386 -1.386 -1.342) 2.375 90.082 ( 12.379 12.379 -0.025) 17.507 90.382 ( 3.357 3.357 -0.052) 4.748 112.176 ( -0.042 -0.042 0.008) 0.059 112.186 ( -0.334 -0.334 0.001) 0.472======================= Grid point 170 (41/63) =======================q-point: ( 0.45 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 7.550 8.186 -3.098) 11.559 2.057 ( 4.054 -0.157 -0.040) 4.057 2.066 ( -0.465 6.874 -1.055) 6.970 2.167 ( -5.521 -3.625 -0.003) 6.605 2.471 ( 7.322 1.107 -0.861) 7.455 2.503 ( 7.066 2.002 1.796) 7.560 2.591 ( -4.347 4.448 1.460) 6.388 2.686 ( -8.233 -4.555 3.022) 9.883 2.789 ( 4.084 3.748 -2.277) 5.993 2.887 ( -3.685 3.262 -2.457) 5.500 3.109 ( 0.752 -2.401 1.770) 3.076 3.134 ( -1.634 -3.072 1.251) 3.698 4.271 ( 1.391 3.782 -0.644) 4.081 4.280 ( 0.441 4.148 -0.265) 4.180 4.516 ( 11.580 1.746 0.631) 11.728 4.687 ( -5.840 -3.987 0.082) 7.071 4.822 ( -0.051 -10.050 -0.003) 10.050 4.883 ( -3.798 -6.212 0.211) 7.284 5.469 ( -5.256 -4.123 0.002) 6.680 5.514 ( -8.065 -2.355 -0.388) 8.411 6.628 ( 3.630 -4.510 -0.019) 5.789 6.675 ( -1.020 -5.294 0.019) 5.392 7.574 ( 3.130 9.062 0.078) 9.587 7.580 ( 2.514 8.821 -0.104) 9.173 10.347 ( 3.624 6.668 0.007) 7.589 10.414 ( -3.282 6.762 -0.001) 7.516 10.581 ( 3.068 0.560 0.003) 3.119 10.581 ( 3.303 -0.789 -0.002) 3.396 12.376 ( 4.857 13.894 0.018) 14.718 12.392 ( 3.253 13.316 0.002) 13.707 16.094 ( 10.529 13.532 0.002) 17.146 16.290 ( -8.884 9.170 0.000) 12.768 18.051 ( 11.732 12.150 -0.007) 16.890 18.115 ( 5.346 11.881 -0.007) 13.028 25.593 ( -2.280 -11.379 -0.000) 11.605 25.624 ( -4.760 -10.558 -0.001) 11.581 25.876 ( -3.001 -15.034 0.001) 15.331 25.936 ( -9.549 -18.558 0.001) 20.871 30.022 ( 11.574 17.028 0.060) 20.589 30.208 ( -5.672 16.159 -0.054) 17.125 31.047 ( 0.715 10.453 -0.019) 10.478 31.060 ( 0.579 11.193 -0.014) 11.208 31.344 ( 5.577 -8.692 0.004) 10.327 31.396 ( 0.331 -6.648 -0.008) 6.656 34.395 ( -2.090 -5.458 0.013) 5.844 34.404 ( -2.945 -5.491 -0.009) 6.230 47.442 ( 9.473 2.385 0.001) 9.768 47.638 ( -9.975 -3.691 0.003) 10.636 48.627 ( 9.043 5.957 -0.000) 10.829 48.781 ( -6.241 1.100 -0.000) 6.337 79.247 ( 2.871 4.213 -0.000) 5.099 79.286 ( -0.833 3.396 0.000) 3.497 81.544 ( 1.292 6.664 0.483) 6.805 81.584 ( -2.632 5.472 0.192) 6.075 81.776 ( 5.636 -1.978 -0.158) 5.975 81.844 ( -1.166 -3.912 -0.510) 4.114 90.294 ( 8.209 9.932 -0.031) 12.885 90.398 ( -2.091 6.745 -0.037) 7.062 112.177 ( 0.104 -0.130 0.003) 0.167 112.180 ( -0.241 -0.234 0.001) 0.336======================= Grid point 181 (42/63) =======================q-point: ( 0.45 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 0.822 0.822 -0.026) 1.163 2.089 ( -2.028 -2.028 -0.145) 2.872 2.122 ( 5.318 5.318 -3.253) 8.194 2.178 ( 1.652 1.652 -2.004) 3.078 2.460 ( 1.385 1.385 -0.445) 2.009 2.554 ( -6.460 -6.460 0.544) 9.152 2.602 ( 4.699 4.699 2.412) 7.069 2.654 ( 0.343 0.343 2.929) 2.969 2.879 ( 4.508 4.508 -2.430) 6.823 2.931 ( 0.245 0.245 -2.480) 2.504 3.062 ( -1.722 -1.722 2.342) 3.379 3.071 ( -2.567 -2.567 2.096) 4.192 4.354 ( 3.373 3.373 -0.325) 4.781 4.359 ( 2.691 2.691 -0.036) 3.806 4.620 ( -2.128 -2.128 -0.002) 3.009 4.657 ( -4.778 -4.778 -0.034) 6.757 4.657 ( 9.969 9.969 0.319) 14.102 4.818 ( -2.641 -2.641 0.182) 3.739 5.296 ( -7.360 -7.360 -0.161) 10.410 5.348 ( -10.073 -10.073 -0.342) 14.249 6.615 ( 1.165 1.165 -0.005) 1.648 6.634 ( -0.665 -0.665 0.007) 0.940 7.698 ( 3.198 3.198 0.015) 4.522 7.699 ( 3.015 3.015 -0.035) 4.264 10.439 ( 2.652 2.652 0.013) 3.751 10.472 ( -0.545 -0.545 0.009) 0.770 10.611 ( 2.661 2.661 -0.005) 3.763 10.619 ( 1.884 1.884 -0.003) 2.664 12.568 ( 5.014 5.014 0.013) 7.090 12.573 ( 4.497 4.497 0.007) 6.360 16.279 ( 5.898 5.898 0.002) 8.341 16.353 ( -1.305 -1.305 0.002) 1.846 18.281 ( 8.062 8.062 -0.007) 11.402 18.309 ( 5.356 5.356 -0.007) 7.574 25.397 ( -5.726 -5.726 0.000) 8.098 25.418 ( -7.567 -7.567 -0.000) 10.701 25.706 ( -3.326 -3.326 0.000) 4.704 25.716 ( -4.606 -4.606 -0.000) 6.514 30.312 ( 11.115 11.115 0.020) 15.719 30.410 ( 2.728 2.728 -0.021) 3.858 31.176 ( 2.108 2.108 0.007) 2.980 31.215 ( 3.165 3.165 -0.009) 4.475 31.245 ( 0.169 0.169 -0.008) 0.239 31.263 ( -5.189 -5.189 -0.001) 7.339 34.318 ( -1.973 -1.973 0.006) 2.791 34.322 ( -2.383 -2.383 -0.002) 3.371 47.497 ( 3.069 3.069 0.001) 4.340 47.564 ( -3.604 -3.604 0.001) 5.097 48.728 ( 3.937 3.937 -0.000) 5.568 48.780 ( -1.263 -1.263 -0.000) 1.786 79.310 ( 1.963 1.963 0.000) 2.776 79.324 ( 0.537 0.537 -0.000) 0.760 81.618 ( 1.327 1.327 0.370) 1.912 81.632 ( -0.007 -0.007 0.274) 0.275 81.782 ( 1.792 1.792 -0.269) 2.549 81.807 ( -0.651 -0.651 -0.363) 0.990 90.447 ( 4.971 4.971 -0.022) 7.030 90.483 ( 1.410 1.410 -0.024) 1.994 112.175 ( -0.007 -0.007 0.001) 0.010 112.177 ( -0.128 -0.128 0.001) 0.181======================= Grid point 242 (43/63) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.181 ( -0.000 -0.000 0.000) 0.000 0.181 ( -0.000 -0.000 0.000) 0.000 0.707 ( 0.000 0.000 0.000) 0.000 0.799 ( 0.000 0.000 0.000) 0.000 0.799 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.892 ( -0.000 0.000 0.000) 0.000 2.892 ( -0.000 -0.000 0.000) 0.000 3.037 ( -0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.599 ( -0.000 -0.000 0.000) 0.000 3.718 ( -0.000 -0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.046 ( -0.000 -0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 7.438 ( -0.000 -0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 13.806 ( 0.000 0.000 0.000) 0.000 13.806 ( 0.000 0.000 0.000) 0.000 15.212 ( -0.000 -0.000 0.000) 0.000 15.212 ( -0.000 0.000 0.000) 0.000 26.622 ( -0.000 0.000 0.000) 0.000 26.632 ( 0.000 0.000 0.000) 0.000 27.247 ( -0.000 -0.000 0.000) 0.000 27.247 ( -0.000 -0.000 0.000) 0.000 29.167 ( -0.000 -0.000 0.000) 0.000 29.167 ( 0.000 0.000 0.000) 0.000 30.164 ( -0.000 -0.000 0.000) 0.000 30.164 ( 0.000 0.000 0.000) 0.000 31.141 ( 0.000 0.000 0.000) 0.000 31.141 ( -0.000 0.000 0.000) 0.000 35.199 ( -0.000 -0.000 0.000) 0.000 35.461 ( -0.000 -0.000 0.000) 0.000 45.956 ( 0.000 0.000 0.000) 0.000 46.571 ( 0.000 0.000 0.000) 0.000 49.452 ( 0.000 0.000 0.000) 0.000 49.453 ( 0.000 0.000 0.000) 0.000 78.823 ( 0.000 0.000 0.000) 0.000 78.823 ( -0.000 -0.000 0.000) 0.000 78.827 ( 0.000 0.000 0.000) 0.000 78.827 ( 0.000 0.000 0.000) 0.000 81.128 ( -0.000 -0.000 0.000) 0.000 81.169 ( 0.000 0.000 0.000) 0.000 90.156 ( -0.000 -0.000 0.000) 0.000 91.427 ( 0.000 0.000 0.000) 0.000 112.235 ( 0.000 0.000 0.000) 0.000 112.271 ( 0.000 0.000 0.000) 0.000======================= Grid point 244 (44/63) =======================q-point: ( 0.09 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 0.477 ( 20.191 0.000 0.000) 20.191 0.737 ( 3.559 0.000 0.000) 3.559 0.788 ( 29.265 0.000 -0.000) 29.265 0.918 ( 11.011 0.000 0.000) 11.011 1.225 ( 31.429 0.000 0.000) 31.429 1.850 ( 5.194 0.000 0.000) 5.194 2.595 ( 0.815 0.000 0.000) 0.815 2.648 ( 3.878 0.000 0.000) 3.878 2.892 ( -1.292 0.000 0.000) 1.292 2.895 ( 0.078 0.000 0.000) 0.078 3.088 ( 5.888 0.000 0.000) 5.888 3.284 ( -0.469 0.000 0.000) 0.469 3.494 ( 7.403 0.000 0.000) 7.403 3.592 ( -0.587 0.000 0.000) 0.587 3.724 ( 13.476 0.000 0.000) 13.476 3.976 ( 32.217 0.000 0.000) 32.217 5.647 ( -21.362 0.000 0.000) 21.362 5.678 ( -32.231 0.000 0.000) 32.231 5.836 ( 0.596 0.000 0.000) 0.596 5.902 ( 4.093 0.000 0.000) 4.093 6.020 ( -0.162 0.000 0.000) 0.162 6.254 ( 6.314 0.000 0.000) 6.314 7.404 ( -4.341 0.000 0.000) 4.341 7.407 ( -2.193 0.000 0.000) 2.193 9.501 ( -0.820 0.000 0.000) 0.820 9.573 ( -1.087 0.000 0.000) 1.087 9.734 ( 20.226 0.000 0.000) 20.226 10.202 ( 42.887 0.000 0.000) 42.887 11.577 ( -11.059 0.000 0.000) 11.059 11.775 ( -13.341 0.000 0.000) 13.341 13.837 ( 3.088 0.000 0.000) 3.088 14.331 ( 44.785 0.000 0.000) 44.785 15.186 ( -2.571 0.000 0.000) 2.571 15.486 ( 25.700 0.000 0.000) 25.700 26.571 ( -4.596 0.000 0.000) 4.596 26.592 ( -3.786 0.000 0.000) 3.786 27.304 ( 5.237 0.000 0.000) 5.237 27.697 ( 35.248 0.000 0.000) 35.248 29.136 ( -3.345 0.000 0.000) 3.345 29.171 ( -1.282 0.000 0.000) 1.282 30.108 ( -4.698 0.000 0.000) 4.698 30.252 ( 8.853 0.000 0.000) 8.853 31.037 ( -10.031 0.000 0.000) 10.031 31.206 ( 6.377 0.000 0.000) 6.377 35.175 ( -2.352 0.000 0.000) 2.352 35.412 ( -4.810 0.000 0.000) 4.810 46.023 ( 6.619 0.000 0.000) 6.619 46.671 ( 9.797 0.000 0.000) 9.797 49.334 ( -10.782 0.000 0.000) 10.782 49.421 ( -3.139 0.000 0.000) 3.139 78.823 ( 0.069 0.000 0.000) 0.069 78.828 ( 0.081 0.000 0.000) 0.081 79.277 ( 39.649 0.000 0.000) 39.649 79.650 ( 63.935 0.000 0.000) 63.935 81.150 ( 2.243 0.000 0.000) 2.243 81.216 ( 5.654 0.000 0.000) 5.654 90.147 ( -0.898 0.000 0.000) 0.898 90.780 ( -52.058 0.000 0.000) 52.058 112.232 ( -0.222 0.000 0.000) 0.222 112.246 ( -1.906 0.000 0.000) 1.906======================= Grid point 246 (45/63) =======================q-point: ( 0.18 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 0.873 ( 10.326 0.000 0.000) 10.326 0.888 ( 20.439 0.000 0.000) 20.439 1.146 ( 8.835 0.000 0.000) 8.835 1.193 ( 15.399 0.000 0.000) 15.399 1.806 ( 24.589 0.000 0.000) 24.589 2.090 ( 16.524 0.000 0.000) 16.524 2.611 ( 0.462 0.000 0.000) 0.462 2.689 ( 0.985 0.000 0.000) 0.985 2.841 ( -3.155 0.000 0.000) 3.155 2.880 ( -2.103 0.000 0.000) 2.103 3.257 ( 9.299 0.000 0.000) 9.299 3.284 ( 0.785 0.000 0.000) 0.785 3.446 ( -4.279 0.000 0.000) 4.279 3.577 ( -0.894 0.000 0.000) 0.894 4.278 ( 28.848 0.000 0.000) 28.848 4.633 ( 25.044 0.000 0.000) 25.044 5.095 ( -23.190 0.000 0.000) 23.190 5.285 ( -9.209 0.000 0.000) 9.209 5.854 ( 1.122 0.000 0.000) 1.122 6.015 ( 6.692 0.000 0.000) 6.692 6.015 ( -0.342 0.000 0.000) 0.342 6.312 ( 0.456 0.000 0.000) 0.456 7.368 ( 2.554 0.000 0.000) 2.554 7.396 ( 2.191 0.000 0.000) 2.191 9.479 ( -1.358 0.000 0.000) 1.358 9.543 ( -1.890 0.000 0.000) 1.890 10.201 ( 23.440 0.000 0.000) 23.440 10.902 ( 23.826 0.000 0.000) 23.826 11.328 ( -11.944 0.000 0.000) 11.944 11.500 ( -11.193 0.000 0.000) 11.193 13.927 ( 5.863 0.000 0.000) 5.863 15.110 ( -4.991 0.000 0.000) 4.991 15.331 ( 51.801 0.000 0.000) 51.801 16.154 ( 38.878 0.000 0.000) 38.878 26.462 ( -5.818 0.000 0.000) 5.818 26.494 ( -5.610 0.000 0.000) 5.610 27.438 ( 7.890 0.000 0.000) 7.890 28.316 ( 22.622 0.000 0.000) 22.622 29.025 ( -7.788 0.000 0.000) 7.788 29.038 ( -12.983 0.000 0.000) 12.983 30.031 ( -1.760 0.000 0.000) 1.760 30.511 ( 16.600 0.000 0.000) 16.600 30.767 ( -15.889 0.000 0.000) 15.889 31.382 ( 10.609 0.000 0.000) 10.609 35.105 ( -4.576 0.000 0.000) 4.576 35.274 ( -8.652 0.000 0.000) 8.652 46.218 ( 12.720 0.000 0.000) 12.720 46.948 ( 17.321 0.000 0.000) 17.321 49.061 ( -15.858 0.000 0.000) 15.858 49.327 ( -6.287 0.000 0.000) 6.287 78.825 ( 0.128 0.000 0.000) 0.128 78.830 ( 0.128 0.000 0.000) 0.128 80.141 ( 41.343 0.000 0.000) 41.343 80.662 ( 27.954 0.000 0.000) 27.954 81.225 ( 5.727 0.000 0.000) 5.727 81.498 ( 24.720 0.000 0.000) 24.720 89.833 ( -36.008 0.000 0.000) 36.008 90.124 ( -1.363 0.000 0.000) 1.363 112.212 ( -1.338 0.000 0.000) 1.338 112.226 ( -0.400 0.000 0.000) 0.400======================= Grid point 248 (46/63) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 1.146 ( 16.336 0.000 0.000) 16.336 1.286 ( 19.078 0.000 0.000) 19.078 1.289 ( 7.676 0.000 -0.000) 7.676 1.506 ( 15.439 0.000 0.000) 15.439 2.178 ( 12.493 0.000 0.000) 12.493 2.351 ( 6.775 0.000 0.000) 6.775 2.603 ( -1.455 0.000 -0.000) 1.455 2.755 ( 7.178 0.000 -0.000) 7.178 2.789 ( -1.783 0.000 0.000) 1.783 2.799 ( -5.988 0.000 0.000) 5.988 3.323 ( 2.965 0.000 0.000) 2.965 3.378 ( -2.573 0.000 0.000) 2.573 3.397 ( 3.586 0.000 -0.000) 3.586 3.559 ( -0.916 0.000 0.000) 0.916 4.597 ( 0.831 0.000 0.000) 0.831 4.697 ( -8.491 0.000 0.000) 8.491 4.853 ( 0.333 0.000 0.000) 0.333 5.443 ( 12.036 0.000 0.000) 12.036 5.880 ( 1.493 0.000 0.000) 1.493 6.006 ( -0.569 0.000 0.000) 0.569 6.178 ( 8.998 0.000 0.000) 8.998 6.324 ( 1.990 0.000 0.000) 1.990 7.534 ( 12.218 0.000 0.000) 12.218 7.550 ( 15.550 0.000 0.000) 15.550 9.450 ( -1.405 0.000 0.000) 1.405 9.501 ( -2.189 0.000 0.000) 2.189 10.559 ( 10.150 0.000 0.000) 10.150 11.010 ( -8.757 0.000 0.000) 8.757 11.184 ( -0.392 0.000 0.000) 0.392 11.512 ( 9.064 0.000 0.000) 9.064 14.068 ( 8.057 0.000 0.000) 8.057 14.988 ( -7.107 0.000 0.000) 7.107 16.342 ( 48.306 0.000 0.000) 48.306 16.958 ( 39.414 0.000 0.000) 39.414 26.352 ( -4.928 0.000 0.000) 4.928 26.382 ( -5.315 0.000 0.000) 5.315 27.613 ( 9.528 0.000 0.000) 9.528 28.558 ( 1.746 0.000 0.000) 1.746 28.679 ( -20.995 0.000 -0.000) 20.995 28.830 ( -11.349 0.000 0.000) 11.349 30.045 ( 2.576 0.000 0.000) 2.576 30.460 ( -13.198 0.000 0.000) 13.198 30.891 ( 20.557 0.000 0.000) 20.557 31.605 ( 10.906 0.000 0.000) 10.906 34.996 ( -6.187 0.000 0.000) 6.187 35.080 ( -10.321 0.000 0.000) 10.321 46.523 ( 17.592 0.000 0.000) 17.592 47.339 ( 21.143 0.000 0.000) 21.143 48.711 ( -18.875 0.000 0.000) 18.875 49.168 ( -9.693 0.000 0.000) 9.693 78.828 ( 0.161 0.000 0.000) 0.161 78.833 ( 0.122 0.000 0.000) 0.122 80.782 ( 20.446 0.000 0.000) 20.446 80.928 ( 5.577 0.000 0.000) 5.577 81.422 ( 15.087 0.000 0.000) 15.087 81.999 ( 19.805 0.000 0.000) 19.805 89.404 ( -8.053 0.000 0.000) 8.053 90.089 ( -2.354 0.000 0.000) 2.354 112.193 ( -0.567 0.000 0.000) 0.567 112.217 ( -0.505 0.000 0.000) 0.505======================= Grid point 250 (47/63) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 1.478 ( 10.732 0.000 0.000) 10.732 1.484 ( 15.804 0.000 -0.000) 15.804 1.645 ( 16.540 0.000 0.000) 16.540 1.794 ( 12.813 0.000 0.000) 12.813 2.338 ( 4.757 0.000 0.000) 4.757 2.388 ( -0.879 0.000 0.000) 0.879 2.548 ( -3.953 0.000 0.000) 3.953 2.649 ( -8.642 0.000 0.000) 8.642 2.769 ( -0.032 0.000 0.000) 0.032 2.937 ( 8.578 0.000 0.000) 8.578 3.336 ( -1.956 0.000 0.000) 1.956 3.376 ( -5.412 0.000 0.000) 5.412 3.392 ( 3.694 0.000 0.000) 3.694 3.539 ( -1.104 0.000 0.000) 1.104 4.581 ( -1.633 0.000 0.000) 1.633 4.628 ( 6.371 0.000 0.000) 6.371 4.847 ( -3.283 0.000 0.000) 3.283 5.470 ( -8.271 0.000 0.000) 8.271 5.912 ( 1.630 0.000 0.000) 1.630 5.992 ( -0.867 0.000 0.000) 0.867 6.329 ( 5.529 0.000 0.000) 5.529 6.387 ( 3.002 0.000 -0.000) 3.002 7.857 ( 17.720 0.000 0.000) 17.720 7.919 ( 18.243 0.000 0.000) 18.243 9.427 ( -0.897 0.000 0.000) 0.897 9.459 ( -1.891 0.000 0.000) 1.891 10.646 ( 1.817 0.000 0.000) 1.817 10.828 ( -7.230 0.000 0.000) 7.230 11.284 ( 7.390 0.000 0.000) 7.390 11.624 ( 0.933 0.000 0.000) 0.933 14.245 ( 9.483 0.000 0.000) 9.483 14.828 ( -8.757 0.000 0.000) 8.757 17.223 ( 38.387 0.000 0.000) 38.387 17.646 ( 27.238 0.000 0.000) 27.238 26.271 ( -3.086 0.000 0.000) 3.086 26.290 ( -3.705 0.000 0.000) 3.705 27.819 ( 11.062 0.000 0.000) 11.062 28.283 ( -16.539 0.000 0.000) 16.539 28.429 ( -12.415 0.000 0.000) 12.415 28.582 ( -13.139 0.000 0.000) 13.139 30.109 ( 3.280 0.000 0.000) 3.280 30.274 ( -5.523 0.000 0.000) 5.523 31.301 ( 19.619 0.000 0.000) 19.619 31.783 ( 6.037 0.000 0.000) 6.037 34.869 ( -6.131 0.000 0.000) 6.131 34.885 ( -8.450 0.000 0.000) 8.450 46.911 ( 20.886 0.000 0.000) 20.886 47.758 ( 18.971 0.000 0.000) 18.971 48.324 ( -18.426 0.000 0.000) 18.426 48.937 ( -13.343 0.000 0.000) 13.343 78.832 ( 0.154 0.000 0.000) 0.154 78.835 ( 0.064 0.000 0.000) 0.064 81.000 ( 2.427 0.000 0.000) 2.427 81.004 ( 4.795 0.000 -0.000) 4.795 81.777 ( 17.752 0.000 0.000) 17.752 82.245 ( 5.389 0.000 0.000) 5.389 89.428 ( 8.173 0.000 0.000) 8.173 90.017 ( -5.159 0.000 0.000) 5.159 112.188 ( -0.066 0.000 0.000) 0.066 112.206 ( -0.521 0.000 0.000) 0.521======================= Grid point 252 (48/63) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 1.673 ( 7.248 0.000 0.000) 7.248 1.706 ( 4.976 0.000 -0.000) 4.976 1.926 ( 10.388 0.000 0.000) 10.388 1.987 ( 4.923 0.000 0.000) 4.923 2.371 ( -0.047 0.000 0.000) 0.047 2.384 ( -0.205 0.000 0.000) 0.205 2.463 ( -3.442 0.000 0.000) 3.442 2.484 ( -6.240 0.000 -0.000) 6.240 2.836 ( 7.874 0.000 0.000) 7.874 3.007 ( -4.378 0.000 0.000) 4.378 3.260 ( -2.178 0.000 0.000) 2.178 3.290 ( -2.663 0.000 -0.000) 2.663 3.461 ( 3.026 0.000 0.000) 3.026 3.510 ( -1.892 0.000 0.000) 1.892 4.622 ( 4.835 0.000 0.000) 4.835 4.739 ( -5.902 0.000 0.000) 5.902 4.863 ( 15.246 0.000 0.000) 15.246 5.200 ( -16.803 0.000 0.000) 16.803 5.944 ( 1.511 0.000 0.000) 1.511 5.971 ( -1.214 0.000 0.000) 1.214 6.402 ( 2.034 0.000 0.000) 2.034 6.419 ( 0.274 0.000 -0.000) 0.274 8.142 ( 9.000 0.000 0.000) 9.000 8.176 ( 5.990 0.000 0.000) 5.990 9.417 ( 0.033 0.000 0.000) 0.033 9.429 ( -1.083 0.000 0.000) 1.083 10.692 ( 2.552 0.000 0.000) 2.552 10.737 ( -2.448 0.000 0.000) 2.448 11.426 ( 6.931 0.000 0.000) 6.931 11.563 ( -6.070 0.000 0.000) 6.070 14.442 ( 10.056 0.000 0.000) 10.056 14.642 ( -9.785 0.000 0.000) 9.785 17.821 ( 19.967 0.000 0.000) 19.967 17.978 ( 4.755 0.000 0.000) 4.755 26.231 ( -0.844 0.000 0.000) 0.844 26.238 ( -1.507 0.000 0.000) 1.507 28.055 ( 12.476 0.000 0.000) 12.476 28.081 ( -2.788 0.000 0.000) 2.788 28.171 ( -10.716 0.000 0.000) 10.716 28.315 ( -13.350 0.000 0.000) 13.350 30.166 ( 2.355 0.000 0.000) 2.355 30.207 ( -2.076 0.000 -0.000) 2.076 31.641 ( 13.497 0.000 0.000) 13.497 31.815 ( -3.457 0.000 0.000) 3.457 34.767 ( -2.937 0.000 0.000) 2.937 34.771 ( -3.054 0.000 0.000) 3.054 47.347 ( 22.317 0.000 0.000) 22.317 47.778 ( -18.802 0.000 0.000) 18.802 48.286 ( 16.299 0.000 0.000) 16.299 48.635 ( -16.776 0.000 0.000) 16.776 78.834 ( 0.104 0.000 0.000) 0.104 78.835 ( -0.022 0.000 0.000) 0.022 81.037 ( 1.296 0.000 0.000) 1.296 81.048 ( 0.405 0.000 -0.000) 0.405 82.078 ( 11.898 0.000 0.000) 11.898 82.246 ( -4.625 0.000 0.000) 4.625 89.649 ( 12.215 0.000 0.000) 12.215 89.872 ( -9.442 0.000 -0.000) 9.442 112.190 ( 0.250 0.000 0.000) 0.250 112.197 ( -0.438 0.000 0.000) 0.438======================= Grid point 266 (49/63) =======================q-point: ( 0.09 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 0.773 ( 3.984 3.984 0.000) 5.635 0.827 ( 17.533 17.533 0.000) 24.796 0.923 ( 15.062 15.062 0.000) 21.301 1.164 ( 13.971 13.971 0.000) 19.757 1.392 ( 19.177 19.177 0.000) 27.121 1.893 ( 6.273 6.273 0.000) 8.871 2.617 ( 1.237 1.237 0.000) 1.750 2.659 ( 1.020 1.020 0.000) 1.442 2.869 ( -2.113 -2.113 0.000) 2.989 2.902 ( 0.246 0.246 0.000) 0.347 3.141 ( 5.502 5.502 0.000) 7.781 3.444 ( 7.476 7.476 0.000) 10.572 3.482 ( -1.513 -1.513 0.000) 2.140 3.789 ( 9.301 9.301 0.000) 13.154 3.831 ( 17.572 17.572 0.000) 24.851 4.111 ( 19.713 19.713 0.000) 27.879 5.424 ( -21.667 -21.667 0.000) 30.642 5.477 ( -15.459 -15.459 0.000) 21.862 5.687 ( -6.776 -6.776 0.000) 9.582 5.909 ( -5.504 -5.504 0.000) 7.784 6.080 ( 10.153 10.153 0.000) 14.358 6.388 ( 7.679 7.679 0.000) 10.859 7.308 ( -7.002 -7.002 0.000) 9.903 7.356 ( -4.003 -4.003 0.000) 5.661 9.575 ( 3.128 3.128 0.000) 4.424 9.670 ( 3.784 3.784 0.000) 5.352 9.876 ( 16.331 16.331 0.000) 23.096 10.448 ( 23.266 23.266 0.000) 32.903 11.464 ( -10.164 -10.164 0.000) 14.374 11.641 ( -11.632 -11.632 0.000) 16.449 13.999 ( 9.364 9.364 0.000) 13.242 14.639 ( 32.242 32.242 0.000) 45.597 15.433 ( 10.795 10.795 0.000) 15.267 15.470 ( 11.049 11.049 0.000) 15.626 26.518 ( -4.804 -4.804 0.000) 6.794 26.550 ( -3.978 -3.978 0.000) 5.626 27.246 ( -0.739 -0.739 0.000) 1.045 28.100 ( 29.457 29.457 0.000) 41.659 29.011 ( -9.229 -9.229 0.000) 13.051 29.232 ( 1.709 1.709 0.000) 2.416 30.127 ( -0.094 -0.094 0.000) 0.132 30.291 ( 6.357 6.357 0.000) 8.991 31.051 ( -3.978 -3.978 0.000) 5.626 31.161 ( 0.940 0.940 0.000) 1.329 35.151 ( -2.368 -2.368 0.000) 3.349 35.365 ( -4.562 -4.562 0.000) 6.452 46.085 ( 6.252 6.252 0.000) 8.841 46.767 ( 9.427 9.427 0.000) 13.332 49.234 ( -9.310 -9.310 0.000) 13.167 49.392 ( -2.881 -2.881 0.000) 4.074 78.832 ( 0.396 0.396 0.000) 0.560 78.873 ( 2.432 2.432 0.000) 3.440 79.589 ( 29.790 29.790 0.000) 42.130 80.207 ( 44.922 44.922 0.000) 63.529 81.170 ( 2.082 2.082 0.000) 2.944 81.240 ( 3.309 3.309 0.000) 4.680 90.142 ( -0.442 -0.442 0.000) 0.625 90.347 ( -35.652 -35.652 0.000) 50.419 112.230 ( -0.218 -0.218 0.000) 0.308 112.231 ( -1.289 -1.289 0.000) 1.823======================= Grid point 268 (50/63) =======================q-point: ( 0.18 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 10.119 4.479 0.000) 11.066 1.108 ( 13.584 14.843 0.000) 20.120 1.185 ( 8.639 4.842 0.000) 9.903 1.404 ( 12.047 16.393 0.000) 20.343 1.840 ( 20.881 3.679 0.000) 21.202 2.135 ( 15.592 5.451 0.000) 16.517 2.628 ( -0.042 1.503 0.000) 1.503 2.678 ( 1.135 -0.863 0.000) 1.426 2.815 ( -3.111 -1.870 0.000) 3.629 2.893 ( -1.380 0.816 0.000) 1.603 3.283 ( 7.395 2.547 0.000) 7.822 3.415 ( -3.706 -2.709 0.000) 4.590 3.516 ( 1.993 18.604 0.000) 18.711 3.851 ( 0.292 23.550 0.000) 23.552 4.363 ( 26.372 9.469 0.000) 28.020 4.646 ( 20.602 1.723 0.000) 20.674 4.988 ( -18.153 -9.556 0.000) 20.515 5.196 ( -4.665 -7.960 0.000) 9.226 5.599 ( -1.783 -14.730 0.000) 14.838 5.821 ( -3.837 -12.394 0.000) 12.975 6.268 ( 8.739 14.961 0.000) 17.326 6.499 ( 3.562 12.075 0.000) 12.590 7.216 ( -0.510 -12.524 0.000) 12.535 7.301 ( -0.296 -8.177 0.000) 8.182 9.598 ( 0.141 9.107 0.000) 9.108 9.690 ( -0.298 10.924 0.000) 10.928 10.299 ( 21.886 10.231 0.000) 24.159 10.932 ( 19.278 4.396 0.000) 19.773 11.237 ( -10.463 -8.007 0.000) 13.176 11.395 ( -9.739 -8.788 0.000) 13.118 14.151 ( 6.965 18.564 0.000) 19.828 15.360 ( -5.815 23.829 0.000) 24.529 15.473 ( 46.652 14.764 0.000) 48.932 16.110 ( 38.537 -4.191 0.000) 38.764 26.404 ( -6.038 -5.356 0.000) 8.072 26.447 ( -5.913 -4.471 0.000) 7.414 27.283 ( 3.487 -10.342 0.000) 10.914 28.627 ( 20.379 24.010 0.000) 31.492 28.754 ( -16.748 -16.684 0.000) 23.640 29.202 ( -4.903 5.847 0.000) 7.630 30.109 ( -0.215 7.114 0.000) 7.117 30.529 ( 16.268 2.374 0.000) 16.441 30.824 ( -14.976 5.214 0.000) 15.858 31.309 ( 10.685 -6.640 0.000) 12.580 35.080 ( -4.696 -2.508 0.000) 5.323 35.234 ( -8.340 -4.000 0.000) 9.250 46.270 ( 12.106 5.261 0.000) 13.199 47.034 ( 16.687 8.425 0.000) 18.693 48.989 ( -14.705 -6.999 0.000) 16.286 49.305 ( -5.846 -2.192 0.000) 6.243 78.844 ( 0.719 1.246 0.000) 1.439 78.899 ( 0.538 5.924 0.000) 5.949 80.289 ( 35.181 14.408 0.000) 38.017 80.922 ( 17.054 23.036 0.000) 28.662 81.240 ( 5.300 1.503 0.000) 5.509 81.475 ( 23.809 -2.239 0.000) 23.914 89.681 ( -25.623 -12.674 0.000) 28.586 90.131 ( -0.655 0.713 0.000) 0.968 112.206 ( -1.034 -0.550 0.000) 1.171 112.224 ( -0.393 -0.207 0.000) 0.445======================= Grid point 270 (51/63) =======================q-point: ( 0.27 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 15.512 3.668 0.000) 15.939 1.300 ( 7.609 1.624 -0.000) 7.780 1.429 ( 15.115 11.004 0.000) 18.696 1.657 ( 12.999 12.268 0.000) 17.873 2.162 ( 11.180 -1.321 0.000) 11.258 2.374 ( 5.958 2.582 0.000) 6.494 2.616 ( -1.393 1.236 0.000) 1.863 2.749 ( -3.743 -1.931 0.000) 4.211 2.750 ( 7.349 0.154 -0.000) 7.350 2.842 ( -3.581 1.992 0.000) 4.098 3.354 ( -2.253 -2.269 0.000) 3.197 3.389 ( 2.298 -0.786 -0.000) 2.429 3.565 ( 3.035 20.959 0.000) 21.178 3.845 ( -0.763 25.579 0.000) 25.591 4.566 ( -3.311 -3.835 0.000) 5.066 4.644 ( -8.711 -5.063 0.000) 10.075 4.874 ( 3.495 3.856 0.000) 5.204 5.429 ( 12.275 -0.978 0.000) 12.314 5.621 ( 3.180 -16.559 0.000) 16.862 5.759 ( -1.429 -16.406 0.000) 16.468 6.440 ( 8.361 17.205 0.000) 19.129 6.559 ( 3.245 15.492 0.000) 15.828 7.329 ( 11.813 -18.655 0.000) 22.081 7.383 ( 9.015 -13.056 0.000) 15.866 9.603 ( 0.670 12.354 0.000) 12.372 9.691 ( 0.666 14.983 0.000) 14.998 10.605 ( 6.251 3.599 0.000) 7.213 10.976 ( -9.625 -3.487 0.000) 10.238 11.151 ( 3.930 -1.376 0.000) 4.164 11.458 ( 10.839 -2.630 0.000) 11.154 14.298 ( 7.869 20.602 0.000) 22.054 15.221 ( -7.924 22.262 0.000) 23.630 16.412 ( 45.731 7.153 0.000) 46.287 16.912 ( 39.437 -4.462 0.000) 39.688 26.290 ( -5.085 -5.813 0.000) 7.723 26.329 ( -5.629 -5.082 0.000) 7.584 27.361 ( 3.889 -18.787 0.000) 19.186 28.354 ( -22.300 -21.709 0.000) 31.122 28.875 ( 4.419 24.631 0.000) 25.024 29.055 ( -8.917 11.711 0.000) 14.719 30.138 ( 2.764 8.829 0.000) 9.251 30.530 ( -12.753 6.821 0.000) 14.463 30.903 ( 20.235 1.343 0.000) 20.279 31.540 ( 11.475 -6.327 0.000) 13.104 34.968 ( -6.367 -2.803 0.000) 6.956 35.045 ( -10.079 -3.425 0.000) 10.645 46.562 ( 16.833 3.875 0.000) 17.273 47.411 ( 20.370 7.026 0.000) 21.548 48.659 ( -17.995 -5.149 0.000) 18.717 49.156 ( -9.103 -1.167 0.000) 9.178 78.859 ( 0.807 2.448 0.000) 2.577 78.903 ( 0.010 6.723 0.000) 6.723 80.846 ( 18.100 6.447 0.000) 19.214 81.055 ( 2.033 11.797 0.000) 11.971 81.423 ( 14.137 0.130 0.000) 14.138 81.956 ( 18.900 -4.082 0.000) 19.336 89.393 ( -3.756 -0.413 0.000) 3.779 90.111 ( -1.600 2.153 0.000) 2.682 112.191 ( -0.470 -0.237 0.000) 0.527 112.215 ( -0.496 -0.191 0.000) 0.531======================= Grid point 272 (52/63) =======================q-point: ( 0.36 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 10.187 0.710 0.000) 10.212 1.491 ( 14.680 2.013 -0.000) 14.818 1.728 ( 14.332 6.685 0.000) 15.815 1.909 ( 11.576 9.366 0.000) 14.890 2.314 ( 4.736 -2.071 0.000) 5.170 2.406 ( -0.976 1.815 0.000) 2.061 2.568 ( -3.122 1.678 0.000) 3.544 2.651 ( -5.489 -1.177 0.000) 5.614 2.769 ( -3.091 0.763 0.000) 3.184 2.929 ( 8.300 0.031 0.000) 8.300 3.317 ( -1.831 -1.690 0.000) 2.492 3.350 ( -6.146 -2.565 -0.000) 6.660 3.636 ( 3.841 21.341 0.000) 21.684 3.820 ( -1.714 24.847 0.000) 24.906 4.541 ( -0.575 -3.354 0.000) 3.403 4.581 ( 6.611 -4.540 0.000) 8.020 4.862 ( -4.267 2.438 0.000) 4.914 5.429 ( -9.180 -4.318 0.000) 10.145 5.676 ( 1.791 -16.045 0.000) 16.145 5.762 ( -0.452 -15.062 0.000) 15.068 6.581 ( 5.354 17.852 0.000) 18.637 6.630 ( 3.168 17.007 -0.000) 17.299 7.623 ( 14.834 -24.092 0.000) 28.292 7.630 ( 13.456 -18.965 0.000) 23.254 9.632 ( 2.295 16.171 0.000) 16.333 9.715 ( 1.322 19.487 0.000) 19.532 10.640 ( 0.930 -1.171 0.000) 1.496 10.798 ( -6.497 -2.882 0.000) 7.107 11.309 ( 8.530 4.209 0.000) 9.512 11.598 ( 2.247 -0.579 0.000) 2.321 14.466 ( 8.924 20.420 0.000) 22.285 15.047 ( -9.361 20.829 0.000) 22.836 17.250 ( 36.643 2.904 0.000) 36.758 17.604 ( 27.698 -3.984 0.000) 27.983 26.207 ( -3.165 -6.082 0.000) 6.856 26.231 ( -3.950 -5.634 0.000) 6.881 27.429 ( 2.771 -26.887 0.000) 27.030 27.918 ( -19.739 -25.135 0.000) 31.959 28.840 ( -5.934 28.681 0.000) 29.288 28.875 ( -8.400 17.950 0.000) 19.818 30.202 ( 3.224 8.969 0.000) 9.531 30.352 ( -5.161 7.522 0.000) 9.122 31.304 ( 19.027 0.308 0.000) 19.029 31.733 ( 6.901 -5.007 0.000) 8.526 34.837 ( -6.258 -3.097 0.000) 6.982 34.854 ( -8.376 -3.079 0.000) 8.924 46.934 ( 20.058 2.270 0.000) 20.186 47.813 ( 17.731 5.279 0.000) 18.500 48.290 ( -17.175 -3.330 0.000) 17.494 48.939 ( -12.653 0.112 0.000) 12.653 78.875 ( 0.710 3.712 0.000) 3.780 78.901 ( -0.197 6.466 0.000) 6.469 81.044 ( 4.383 4.097 0.000) 6.000 81.078 ( 0.729 7.529 -0.000) 7.564 81.759 ( 16.844 -1.826 0.000) 16.943 82.194 ( 5.492 -4.828 0.000) 7.312 89.470 ( 9.495 4.258 0.000) 10.406 90.054 ( -4.488 3.560 0.000) 5.728 112.186 ( -0.043 -0.143 0.000) 0.150 112.205 ( -0.509 -0.170 0.000) 0.537======================= Grid point 274 (53/63) =======================q-point: ( 0.45 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 6.730 -0.042 0.000) 6.730 1.695 ( 4.536 0.317 -0.000) 4.547 1.985 ( 10.647 4.730 0.000) 11.651 2.079 ( 3.424 7.520 0.000) 8.263 2.336 ( -1.621 -2.596 0.000) 3.060 2.364 ( -3.139 0.300 0.000) 3.153 2.524 ( -0.074 4.217 0.000) 4.217 2.569 ( -3.323 5.097 0.000) 6.085 2.792 ( 7.843 -4.009 0.000) 8.808 2.987 ( -5.872 -1.824 0.000) 6.149 3.227 ( -1.573 -2.287 0.000) 2.776 3.269 ( -3.012 -1.460 0.000) 3.347 3.712 ( 3.646 21.746 0.000) 22.050 3.776 ( -2.674 22.968 0.000) 23.123 4.604 ( 5.849 -0.801 0.000) 5.904 4.737 ( -5.941 0.511 0.000) 5.963 4.822 ( 14.639 -3.523 0.000) 15.057 5.157 ( -16.650 -4.115 0.000) 17.151 5.702 ( 1.190 -17.182 0.000) 17.223 5.732 ( -1.837 -16.848 0.000) 16.948 6.654 ( 2.091 18.211 0.000) 18.331 6.669 ( 0.612 17.951 -0.000) 17.961 7.835 ( 5.722 -24.439 0.000) 25.099 7.837 ( 5.563 -26.528 -0.000) 27.105 9.686 ( 2.657 19.746 0.000) 19.924 9.723 ( -0.800 21.369 0.000) 21.384 10.683 ( 2.670 -1.115 0.000) 2.894 10.724 ( -1.779 -1.346 0.000) 2.231 11.451 ( 6.087 4.147 0.000) 7.365 11.564 ( -4.666 1.885 0.000) 5.032 14.654 ( 9.727 19.877 0.000) 22.129 14.852 ( -9.962 19.939 0.000) 22.290 17.818 ( 18.590 -0.181 0.000) 18.591 17.951 ( 5.732 -2.542 0.000) 6.271 26.166 ( -0.824 -6.155 0.000) 6.210 26.175 ( -1.641 -6.009 0.000) 6.229 27.482 ( 3.354 -31.098 0.000) 31.278 27.610 ( -10.518 -29.004 0.000) 30.852 28.731 ( -3.117 29.803 0.000) 29.966 28.743 ( -4.134 24.822 0.000) 25.164 30.256 ( 2.163 8.725 0.000) 8.989 30.292 ( -1.740 8.200 -0.000) 8.382 31.629 ( 12.611 -1.219 0.000) 12.670 31.783 ( -2.441 -3.151 0.000) 3.986 34.735 ( -3.003 -3.078 0.000) 4.301 34.738 ( -3.044 -3.192 0.000) 4.411 47.354 ( 21.544 0.625 0.000) 21.553 47.775 ( -19.264 -0.402 0.000) 19.268 48.309 ( 16.797 2.397 0.000) 16.968 48.650 ( -16.094 1.510 0.000) 16.165 78.887 ( 0.530 4.848 0.000) 4.877 78.896 ( -0.353 5.781 0.000) 5.792 81.088 ( 0.729 4.033 0.000) 4.098 81.089 ( 0.371 5.181 -0.000) 5.194 82.044 ( 11.310 -3.221 0.000) 11.760 82.202 ( -4.161 -4.222 0.000) 5.928 89.702 ( 12.255 5.261 0.000) 13.336 89.920 ( -8.976 4.716 -0.000) 10.139 112.188 ( 0.247 -0.131 0.000) 0.280 112.195 ( -0.428 -0.147 0.000) 0.453======================= Grid point 290 (54/63) =======================q-point: ( 0.18 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 1.060 ( 10.163 10.163 0.000) 14.372 1.244 ( 4.603 4.603 0.000) 6.510 1.413 ( 11.681 11.681 0.000) 16.520 1.699 ( 11.813 11.813 0.000) 16.706 1.968 ( 8.805 8.805 0.000) 12.452 2.310 ( 10.170 10.170 0.000) 14.383 2.659 ( 0.698 0.698 0.000) 0.987 2.672 ( 1.744 1.744 0.000) 2.466 2.773 ( -2.479 -2.479 0.000) 3.505 2.901 ( -0.269 -0.269 0.000) 0.380 3.339 ( 2.464 2.464 0.000) 3.484 3.350 ( -3.268 -3.268 0.000) 4.622 3.827 ( 10.275 10.275 0.000) 14.531 4.282 ( 13.898 13.898 0.000) 19.654 4.570 ( -0.663 -0.663 0.000) 0.938 4.671 ( -3.840 -3.840 0.000) 5.431 4.885 ( 9.885 9.885 0.000) 13.979 5.133 ( 9.704 9.704 0.000) 13.724 5.353 ( -8.723 -8.723 0.000) 12.336 5.604 ( -9.346 -9.346 0.000) 13.217 6.547 ( 12.616 12.616 0.000) 17.842 6.713 ( 8.888 8.888 0.000) 12.569 6.982 ( -8.554 -8.554 0.000) 12.097 7.136 ( -6.571 -6.571 0.000) 9.292 9.746 ( 5.269 5.269 0.000) 7.452 9.859 ( 5.634 5.634 0.000) 7.968 10.563 ( 11.672 11.672 0.000) 16.507 11.029 ( -2.043 -2.043 0.000) 2.890 11.095 ( -2.282 -2.282 0.000) 3.227 11.286 ( 4.875 4.875 0.000) 6.894 14.514 ( 15.689 15.689 0.000) 22.188 15.938 ( 31.017 31.017 0.000) 43.865 15.951 ( 11.539 11.539 -0.000) 16.319 16.036 ( 18.665 18.665 0.000) 26.396 26.274 ( -7.013 -7.013 0.000) 9.919 26.331 ( -6.700 -6.700 0.000) 9.475 27.112 ( -6.868 -6.868 0.000) 9.713 28.361 ( -22.534 -22.534 0.000) 31.868 29.087 ( 19.703 19.703 0.000) 27.865 29.267 ( 0.844 0.844 0.000) 1.193 30.262 ( 6.739 6.739 0.000) 9.530 30.652 ( 11.047 11.047 0.000) 15.623 30.894 ( -2.787 -2.787 0.000) 3.941 31.204 ( 0.997 0.997 0.000) 1.409 35.005 ( -5.017 -5.017 0.000) 7.095 35.117 ( -7.489 -7.489 0.000) 10.590 46.427 ( 10.331 10.331 0.000) 14.610 47.272 ( 14.933 14.933 0.000) 21.119 48.793 ( -12.231 -12.231 0.000) 17.297 49.238 ( -4.591 -4.591 0.000) 6.493 78.877 ( 2.056 2.056 0.000) 2.908 79.004 ( 3.894 3.894 0.000) 5.506 80.669 ( 21.360 21.360 0.000) 30.207 81.289 ( 3.773 3.773 0.000) 5.336 81.400 ( 4.206 4.206 0.000) 5.948 81.449 ( 17.333 17.333 0.000) 24.512 89.453 ( -7.599 -7.599 0.000) 10.746 90.151 ( 1.188 1.188 0.000) 1.680 112.194 ( -0.557 -0.557 0.000) 0.788 112.218 ( -0.373 -0.373 0.000) 0.528======================= Grid point 292 (55/63) =======================q-point: ( 0.27 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 14.247 9.692 0.000) 17.231 1.355 ( 6.801 3.973 -0.000) 7.876 1.632 ( 10.811 8.478 0.000) 13.739 1.904 ( 9.743 11.195 0.000) 14.841 2.140 ( 7.351 -0.476 0.000) 7.367 2.446 ( 2.769 3.755 0.000) 4.666 2.649 ( -1.403 1.868 0.000) 2.336 2.704 ( -4.752 -2.938 0.000) 5.587 2.785 ( 8.706 3.819 -0.000) 9.507 2.875 ( -2.429 1.293 0.000) 2.752 3.299 ( -1.647 -2.800 0.000) 3.249 3.357 ( -1.241 -2.640 0.000) 2.917 3.965 ( 4.818 15.075 0.000) 15.826 4.396 ( -2.587 20.813 0.000) 20.974 4.436 ( -4.934 -8.143 0.000) 9.521 4.522 ( -3.643 -2.865 0.000) 4.634 5.064 ( -1.217 12.348 0.000) 12.408 5.349 ( 7.375 -7.004 0.000) 10.171 5.416 ( -3.400 -6.374 0.000) 7.224 5.486 ( 9.618 -2.557 0.000) 9.952 6.772 ( 10.040 15.431 0.000) 18.409 6.852 ( 5.562 13.129 0.000) 14.259 6.938 ( 4.629 -18.076 0.000) 18.659 7.098 ( 3.320 -13.646 0.000) 14.044 9.833 ( 4.141 9.432 0.000) 10.301 9.957 ( 4.937 10.231 0.000) 11.360 10.617 ( -3.150 -3.569 0.000) 4.760 10.865 ( -9.541 -7.243 0.000) 11.979 11.254 ( 14.292 12.995 0.000) 19.316 11.516 ( 12.180 9.043 0.000) 15.170 14.772 ( 10.721 24.077 0.000) 26.356 15.807 ( -9.901 33.531 0.000) 34.962 16.644 ( 37.361 16.427 0.000) 40.813 16.798 ( 39.510 -5.836 0.000) 39.938 26.142 ( -5.811 -8.297 0.000) 10.130 26.196 ( -6.455 -7.691 0.000) 10.041 26.992 ( -5.402 -17.349 0.000) 18.171 27.870 ( -25.715 -26.285 0.000) 36.772 29.250 ( -1.951 7.986 0.000) 8.221 29.370 ( 8.028 22.821 0.000) 24.192 30.368 ( 4.331 13.082 0.000) 13.781 30.714 ( -10.743 10.755 0.000) 15.201 30.956 ( 17.836 4.372 0.000) 18.364 31.369 ( 11.691 -9.894 0.000) 15.316 34.884 ( -6.760 -5.439 0.000) 8.676 34.945 ( -9.311 -6.416 0.000) 11.308 46.678 ( 14.574 7.683 0.000) 16.475 47.610 ( 18.210 12.441 0.000) 22.054 48.511 ( -15.675 -9.457 0.000) 18.307 49.119 ( -7.399 -2.664 0.000) 7.864 78.922 ( 2.369 3.680 0.000) 4.377 79.052 ( 1.096 7.060 0.000) 7.145 81.033 ( 12.403 11.732 0.000) 17.072 81.340 ( -3.494 14.788 0.000) 15.195 81.428 ( 11.319 0.444 0.000) 11.327 81.854 ( 15.824 -5.327 0.000) 16.697 89.424 ( 4.634 4.311 0.000) 6.329 90.170 ( 0.423 3.581 0.000) 3.606 112.185 ( -0.292 -0.290 0.000) 0.411 112.210 ( -0.468 -0.341 0.000) 0.579======================= Grid point 294 (56/63) =======================q-point: ( 0.36 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 9.338 3.381 0.000) 9.932 1.592 ( 12.549 8.053 -0.000) 14.911 1.851 ( 10.970 4.865 0.000) 12.000 2.098 ( 9.110 8.505 0.000) 12.463 2.268 ( 5.927 -2.107 0.000) 6.290 2.460 ( -0.811 3.510 0.000) 3.602 2.588 ( -5.410 -4.515 0.000) 7.047 2.606 ( -2.334 2.106 -0.000) 3.143 2.804 ( -4.554 2.362 0.000) 5.130 2.953 ( 6.519 2.346 0.000) 6.928 3.274 ( -1.301 -2.401 0.000) 2.731 3.274 ( -6.864 -4.989 -0.000) 8.486 4.042 ( 3.262 14.365 0.000) 14.731 4.268 ( -6.014 7.921 0.000) 9.945 4.463 ( 7.631 -6.486 0.000) 10.015 4.572 ( 5.371 14.303 0.000) 15.278 4.993 ( -4.143 9.652 0.000) 10.504 5.271 ( -8.145 -11.621 0.000) 14.191 5.408 ( -1.527 -7.412 0.000) 7.568 5.555 ( -4.864 -3.416 0.000) 5.944 6.936 ( 6.089 16.742 0.000) 17.815 6.961 ( 4.951 14.833 -0.000) 15.637 7.121 ( 11.178 -23.738 0.000) 26.239 7.225 ( 7.526 -19.080 0.000) 20.510 9.926 ( 4.942 11.662 0.000) 12.666 10.052 ( 3.714 12.625 0.000) 13.160 10.582 ( 0.958 -4.190 0.000) 4.298 10.719 ( -4.336 -4.791 0.000) 6.462 11.512 ( 10.087 15.832 0.000) 18.772 11.690 ( 4.736 10.534 0.000) 11.550 14.968 ( 9.366 27.375 0.000) 28.933 15.594 ( -11.132 31.517 0.000) 33.425 17.351 ( 31.386 7.594 0.000) 32.292 17.504 ( 29.070 -5.191 0.000) 29.530 26.048 ( -3.523 -9.180 0.000) 9.833 26.083 ( -4.615 -8.618 0.000) 9.776 26.896 ( -3.774 -25.595 0.000) 25.872 27.375 ( -22.520 -28.605 0.000) 36.406 29.213 ( -1.210 15.704 0.000) 15.751 29.409 ( -3.230 26.965 0.000) 27.158 30.444 ( 3.214 14.477 0.000) 14.830 30.557 ( -4.440 12.423 0.000) 13.193 31.313 ( 16.814 0.601 0.000) 16.825 31.587 ( 8.935 -9.294 0.000) 12.892 34.747 ( -6.470 -5.736 0.000) 8.647 34.765 ( -8.045 -5.604 0.000) 9.804 47.002 ( 17.566 4.522 0.000) 18.138 47.956 ( 12.092 8.379 0.000) 14.712 48.198 ( -11.479 -5.306 0.000) 12.646 48.939 ( -10.643 -0.231 0.000) 10.646 78.969 ( 2.227 5.360 0.000) 5.804 79.057 ( -0.408 8.186 0.000) 8.196 81.168 ( 3.103 8.180 0.000) 8.749 81.277 ( -2.642 11.562 0.000) 11.860 81.709 ( 14.516 -2.940 0.000) 14.811 82.066 ( 5.551 -7.501 0.000) 9.331 89.603 ( 11.984 9.097 0.000) 15.045 90.152 ( -2.611 6.039 0.000) 6.579 112.182 ( -0.005 -0.204 0.000) 0.204 112.200 ( -0.475 -0.298 0.000) 0.561======================= Grid point 296 (57/63) =======================q-point: ( 0.45 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 6.937 3.164 0.000) 7.625 1.750 ( 2.375 5.152 -0.000) 5.673 2.065 ( 10.365 2.490 0.000) 10.660 2.232 ( -0.396 6.743 0.000) 6.755 2.292 ( 0.078 -1.736 0.000) 1.738 2.399 ( -5.377 3.384 0.000) 6.353 2.600 ( 2.300 3.378 0.000) 4.086 2.633 ( 7.244 -0.274 0.000) 7.249 2.718 ( 0.042 -0.932 0.000) 0.933 2.939 ( -10.491 -3.030 0.000) 10.920 3.184 ( 1.075 -1.907 0.000) 2.189 3.236 ( -2.608 -1.823 0.000) 3.182 4.108 ( 3.354 12.054 0.000) 12.512 4.177 ( -3.641 9.702 0.000) 10.362 4.691 ( 12.030 -6.071 -0.000) 13.475 4.701 ( 6.736 12.458 0.000) 14.162 4.910 ( -2.817 16.172 0.000) 16.415 5.065 ( -12.858 -3.057 0.000) 13.216 5.366 ( -0.881 -15.354 0.000) 15.379 5.414 ( -5.952 -13.394 0.000) 14.657 7.019 ( 2.271 17.228 0.000) 17.377 7.028 ( 1.477 16.823 -0.000) 16.888 7.299 ( 5.545 -25.193 0.000) 25.796 7.332 ( 2.170 -23.704 0.000) 23.803 10.017 ( 3.941 12.055 0.000) 12.683 10.075 ( -1.406 12.373 0.000) 12.453 10.642 ( 3.651 -2.759 0.000) 4.576 10.683 ( -0.602 -2.606 0.000) 2.675 11.654 ( 4.651 16.121 0.000) 16.778 11.716 ( -1.461 13.862 0.000) 13.939 15.160 ( 9.976 28.528 0.000) 30.222 15.370 ( -10.989 29.691 0.000) 31.659 17.828 ( 14.641 1.716 0.000) 14.741 17.893 ( 8.537 -2.580 0.000) 8.918 26.004 ( -0.816 -9.507 -0.000) 9.542 26.016 ( -2.012 -9.283 0.000) 9.498 26.870 ( 2.076 -29.840 0.000) 29.912 27.014 ( -12.784 -30.167 0.000) 32.764 29.220 ( 2.234 22.675 0.000) 22.785 29.303 ( -5.699 27.130 0.000) 27.722 30.493 ( 1.600 14.165 0.000) 14.256 30.514 ( -0.884 13.265 -0.000) 13.294 31.589 ( 9.916 -2.859 0.000) 10.320 31.687 ( 0.339 -6.439 0.000) 6.448 34.648 ( -2.919 -5.677 0.000) 6.383 34.648 ( -3.149 -5.427 -0.000) 6.274 47.372 ( 19.127 1.190 0.000) 19.164 47.756 ( -18.727 -1.692 0.000) 18.803 48.383 ( 16.439 4.961 0.000) 17.171 48.692 ( -14.023 2.490 0.000) 14.242 79.010 ( 1.800 6.857 0.000) 7.089 79.040 ( -1.225 7.913 0.000) 8.008 81.207 ( 1.346 7.691 0.000) 7.808 81.235 ( -1.643 8.981 0.000) 9.130 81.957 ( 9.788 -5.174 0.000) 11.072 82.088 ( -3.015 -6.755 0.000) 7.397 89.853 ( 11.958 9.632 0.000) 15.355 90.052 ( -7.546 8.222 0.000) 11.160 112.185 ( 0.230 -0.210 0.000) 0.311 112.191 ( -0.394 -0.250 0.000) 0.467======================= Grid point 314 (58/63) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 1.462 ( 6.725 6.725 0.000) 9.511 1.545 ( 13.354 13.354 -0.000) 18.885 1.779 ( 6.874 6.874 0.000) 9.722 2.091 ( 7.839 7.839 0.000) 11.086 2.157 ( 2.263 2.263 0.000) 3.201 2.503 ( 2.068 2.068 0.000) 2.924 2.618 ( -5.714 -5.714 0.000) 8.081 2.673 ( 0.155 0.155 -0.000) 0.219 2.887 ( -0.339 -0.339 0.000) 0.479 2.901 ( 6.793 6.793 0.000) 9.606 3.254 ( -1.664 -1.664 0.000) 2.354 3.278 ( -5.288 -5.288 -0.000) 7.478 4.153 ( 5.111 5.111 0.000) 7.229 4.299 ( -3.820 -3.820 0.000) 5.403 4.341 ( -6.524 -6.524 0.000) 9.227 4.763 ( 8.554 8.554 0.000) 12.098 5.070 ( -5.113 -5.113 0.000) 7.230 5.198 ( -10.308 -10.308 0.000) 14.577 5.509 ( 11.053 11.053 0.000) 15.632 5.629 ( 7.743 7.743 0.000) 10.950 6.679 ( -5.773 -5.773 0.000) 8.165 6.873 ( -5.960 -5.960 0.000) 8.429 7.049 ( 11.895 11.895 0.000) 16.822 7.098 ( 9.976 9.976 0.000) 14.109 9.986 ( 6.579 6.579 0.000) 9.303 10.123 ( 7.388 7.388 0.000) 10.449 10.525 ( -3.687 -3.687 0.000) 5.214 10.715 ( -7.035 -7.035 0.000) 9.949 11.583 ( 17.142 17.142 0.000) 24.243 11.758 ( 12.902 12.902 0.000) 18.246 15.194 ( 17.508 17.508 0.000) 24.759 16.309 ( 5.752 5.752 0.000) 8.135 16.866 ( 21.897 21.897 0.000) 30.967 17.065 ( 24.775 24.775 0.000) 35.037 25.982 ( -7.292 -7.292 0.000) 10.312 26.039 ( -7.532 -7.532 0.000) 10.652 26.671 ( -14.645 -14.645 0.000) 20.711 27.321 ( -27.838 -27.838 0.000) 39.369 29.387 ( 6.056 6.056 0.000) 8.565 29.742 ( 13.592 13.592 0.000) 19.222 30.608 ( 9.713 9.713 0.000) 13.737 30.882 ( 2.239 2.239 0.000) 3.167 31.098 ( 10.043 10.043 0.000) 14.203 31.232 ( 0.370 0.370 0.000) 0.523 34.757 ( -7.084 -7.084 0.000) 10.018 34.797 ( -8.117 -8.117 0.000) 11.479 46.867 ( 11.024 11.024 0.000) 15.590 47.891 ( 15.144 15.144 0.000) 21.417 48.289 ( -12.502 -12.502 0.000) 17.680 49.046 ( -4.751 -4.751 0.000) 6.719 79.000 ( 3.974 3.974 0.000) 5.620 79.161 ( 3.608 3.608 0.000) 5.103 81.270 ( 9.599 9.599 0.000) 13.574 81.463 ( 4.747 4.747 0.000) 6.713 81.547 ( 2.877 2.877 0.000) 4.069 81.807 ( 3.053 3.053 0.000) 4.318 89.577 ( 10.676 10.676 0.000) 15.098 90.242 ( 3.194 3.194 0.000) 4.517 112.180 ( -0.180 -0.180 0.000) 0.254 112.202 ( -0.420 -0.420 0.000) 0.595======================= Grid point 316 (59/63) =======================q-point: ( 0.36 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 8.722 6.473 0.000) 10.862 1.798 ( 10.027 11.780 -0.000) 15.469 1.922 ( 7.529 2.682 0.000) 7.993 2.211 ( 4.123 2.158 0.000) 4.654 2.265 ( 8.900 2.781 0.000) 9.324 2.486 ( -6.281 -5.461 0.000) 8.323 2.538 ( 1.153 4.162 0.000) 4.319 2.652 ( -1.765 2.321 -0.000) 2.916 2.853 ( -3.116 2.286 0.000) 3.864 3.003 ( 1.230 1.456 0.000) 1.906 3.158 ( -5.115 -5.780 0.000) 7.718 3.227 ( -1.261 -2.260 -0.000) 2.588 4.193 ( 0.494 3.707 0.000) 3.740 4.251 ( -2.441 -2.704 0.000) 3.643 4.351 ( 8.234 -4.239 0.000) 9.262 4.857 ( 1.682 6.487 0.000) 6.701 5.010 ( -0.597 -6.498 0.000) 6.525 5.031 ( -5.436 -10.653 0.000) 11.960 5.537 ( -6.966 13.759 0.000) 15.422 5.617 ( -9.142 6.668 0.000) 11.315 6.716 ( 7.027 -15.081 0.000) 16.638 6.858 ( 2.860 -13.567 0.000) 13.866 7.243 ( 7.393 13.256 0.000) 15.178 7.264 ( 6.409 12.240 -0.000) 13.817 10.109 ( 5.507 7.676 0.000) 9.447 10.249 ( 4.057 8.606 0.000) 9.515 10.510 ( 2.476 -2.184 0.000) 3.302 10.617 ( -1.876 -5.155 0.000) 5.486 11.876 ( 11.378 18.551 0.000) 21.762 11.972 ( 7.803 15.596 0.000) 17.439 15.483 ( 12.148 22.663 0.000) 25.713 16.185 ( -11.338 23.404 0.000) 26.005 17.461 ( 29.097 3.483 0.000) 29.305 17.568 ( 23.317 14.100 0.000) 27.249 25.862 ( -4.557 -9.007 -0.000) 10.094 25.906 ( -5.575 -8.654 0.000) 10.294 26.418 ( -10.014 -21.792 0.000) 23.982 26.794 ( -23.611 -28.655 0.000) 37.130 29.508 ( 6.338 13.915 0.000) 15.290 29.888 ( 0.822 20.256 0.000) 20.272 30.744 ( 4.214 14.433 0.000) 15.036 30.823 ( -3.636 13.377 0.000) 13.862 31.330 ( 11.704 1.076 0.000) 11.754 31.380 ( 9.954 -10.572 0.000) 14.521 34.616 ( -6.438 -7.069 0.000) 9.562 34.637 ( -7.302 -6.947 0.000) 10.078 47.114 ( 13.525 6.595 0.000) 15.047 48.007 ( -13.976 -6.467 0.000) 15.400 48.210 ( 14.802 9.331 0.000) 17.498 48.924 ( -7.491 -1.387 0.000) 7.619 79.077 ( 3.645 5.265 0.000) 6.403 79.200 ( 0.473 5.597 0.000) 5.617 81.359 ( 1.365 10.228 0.000) 10.319 81.503 ( -4.192 9.900 0.000) 10.751 81.651 ( 11.466 -2.443 0.000) 11.723 81.916 ( 4.712 -6.801 0.000) 8.274 89.825 ( 13.226 12.592 0.000) 18.262 90.280 ( 0.134 6.233 0.000) 6.235 112.179 ( -0.000 -0.162 0.000) 0.162 112.193 ( -0.416 -0.356 0.000) 0.548======================= Grid point 318 (60/63) =======================q-point: ( 0.45 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 7.556 6.116 0.000) 9.721 1.886 ( -1.129 7.930 0.000) 8.010 2.080 ( 8.117 -0.683 0.000) 8.145 2.237 ( -6.207 -2.907 0.000) 6.854 2.360 ( 5.722 5.343 0.000) 7.828 2.493 ( -5.797 5.697 0.000) 8.127 2.577 ( 14.070 -3.148 0.000) 14.418 2.668 ( 3.821 3.625 0.000) 5.266 2.767 ( -5.170 3.836 0.000) 6.437 2.861 ( -12.687 -4.908 0.000) 13.604 3.155 ( 2.295 -1.037 0.000) 2.518 3.197 ( -1.795 -2.047 0.000) 2.722 4.211 ( 1.068 2.082 0.000) 2.340 4.227 ( -0.574 0.155 0.000) 0.594 4.571 ( 12.360 -5.062 0.000) 13.357 4.785 ( -8.141 -4.429 0.000) 9.267 5.043 ( 4.552 -7.023 0.000) 8.369 5.046 ( 3.709 -11.507 0.000) 12.090 5.349 ( -8.705 16.581 0.000) 18.727 5.370 ( -11.511 10.883 0.000) 15.841 6.852 ( 5.110 -17.590 0.000) 18.317 6.901 ( 0.237 -17.035 0.000) 17.036 7.344 ( 2.648 13.933 0.000) 14.182 7.349 ( 2.055 13.666 -0.000) 13.820 10.199 ( 3.633 7.611 0.000) 8.434 10.260 ( -2.146 7.848 0.000) 8.136 10.593 ( 4.128 -1.786 0.000) 4.497 10.626 ( 0.831 -2.887 0.000) 3.004 12.032 ( 4.458 19.589 0.000) 20.090 12.063 ( 1.369 18.588 0.000) 18.638 15.711 ( 11.175 24.595 0.000) 27.015 15.943 ( -12.106 24.986 0.000) 27.764 17.888 ( 11.938 3.313 0.000) 12.389 17.912 ( 9.187 7.275 0.000) 11.718 25.805 ( -0.996 -10.114 -0.000) 10.163 25.822 ( -2.656 -9.735 0.000) 10.091 26.303 ( -0.557 -26.040 0.000) 26.046 26.422 ( -12.651 -28.171 0.000) 30.882 29.649 ( 7.809 20.145 0.000) 21.606 29.808 ( -7.288 23.005 0.000) 24.132 30.792 ( 0.882 14.924 0.000) 14.950 30.794 ( 0.069 14.009 -0.000) 14.009 31.512 ( 5.552 -4.868 0.000) 7.384 31.530 ( 3.846 -9.051 0.000) 9.834 34.521 ( -2.557 -6.672 0.000) 7.146 34.527 ( -3.197 -6.417 0.000) 7.169 47.401 ( 15.009 1.749 0.000) 15.110 47.707 ( -15.372 -3.052 0.000) 15.672 48.500 ( 13.557 6.420 0.000) 15.000 48.743 ( -10.634 2.434 0.000) 10.909 79.143 ( 2.823 6.126 0.000) 6.745 79.187 ( -1.533 6.353 0.000) 6.535 81.382 ( 1.487 9.304 0.000) 9.422 81.427 ( -3.070 9.545 0.000) 10.027 81.851 ( 7.817 -5.046 0.000) 9.304 81.949 ( -1.688 -6.752 0.000) 6.960 90.071 ( 10.657 11.597 0.000) 15.750 90.232 ( -5.179 9.182 0.000) 10.542 112.180 ( 0.184 -0.208 0.000) 0.278 112.186 ( -0.332 -0.281 0.000) 0.435======================= Grid point 338 (61/63) =======================q-point: ( 0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 1.770 ( 8.227 8.227 0.000) 11.635 1.977 ( 3.191 3.191 0.000) 4.513 2.011 ( 7.430 7.430 0.000) 10.507 2.243 ( 0.053 0.053 0.000) 0.075 2.335 ( 4.488 4.488 0.000) 6.346 2.403 ( -0.260 -0.260 0.000) 0.368 2.626 ( 4.345 4.345 0.000) 6.145 2.683 ( 0.390 0.390 -0.000) 0.552 2.882 ( 0.126 0.126 0.000) 0.179 2.926 ( -8.385 -8.385 0.000) 11.858 3.117 ( 0.872 0.872 0.000) 1.234 3.183 ( -2.049 -2.049 -0.000) 2.897 4.231 ( 0.798 0.798 0.000) 1.129 4.267 ( 1.803 1.803 0.000) 2.550 4.328 ( 5.048 5.048 0.000) 7.139 4.811 ( -7.045 -7.045 0.000) 9.963 4.882 ( -5.281 -5.281 0.000) 7.469 4.927 ( -1.266 -1.266 0.000) 1.790 5.637 ( -6.396 -6.396 0.000) 9.045 5.658 ( -3.291 -3.291 -0.000) 4.654 6.568 ( 0.096 0.096 0.000) 0.136 6.697 ( -2.752 -2.752 0.000) 3.892 7.461 ( 8.385 8.385 0.000) 11.859 7.469 ( 8.015 8.015 -0.000) 11.335 10.251 ( 6.213 6.213 0.000) 8.786 10.416 ( 6.656 6.656 0.000) 9.414 10.511 ( 2.395 2.395 0.000) 3.387 10.528 ( -2.604 -2.604 0.000) 3.682 12.198 ( 12.882 12.882 0.000) 18.218 12.248 ( 10.975 10.975 0.000) 15.521 15.852 ( 14.503 14.503 0.000) 20.510 16.407 ( -0.367 -0.367 0.000) 0.519 17.709 ( 19.055 19.055 0.000) 26.948 17.884 ( 15.769 15.769 0.000) 22.301 25.698 ( -7.200 -7.200 -0.000) 10.182 25.747 ( -7.117 -7.117 0.000) 10.065 26.050 ( -14.168 -14.168 0.000) 20.036 26.267 ( -22.744 -22.744 0.000) 32.165 29.776 ( 12.922 12.922 0.000) 18.274 30.186 ( 8.455 8.455 0.000) 11.957 30.979 ( 8.156 8.156 0.000) 11.534 31.033 ( 4.458 4.458 0.000) 6.304 31.238 ( 0.097 0.097 0.000) 0.137 31.361 ( 2.119 2.119 0.000) 2.997 34.481 ( -6.002 -6.002 0.000) 8.488 34.501 ( -6.274 -6.274 0.000) 8.873 47.264 ( 8.294 8.294 0.000) 11.730 47.836 ( -9.556 -9.556 0.000) 13.515 48.425 ( 10.908 10.908 0.000) 15.426 48.877 ( -3.473 -3.473 0.000) 4.912 79.174 ( 4.329 4.329 0.000) 6.123 79.275 ( 2.016 2.016 0.000) 2.851 81.524 ( 3.943 3.943 0.000) 5.576 81.622 ( 0.929 0.929 0.000) 1.314 81.650 ( 4.290 4.290 0.000) 6.068 81.833 ( -0.695 -0.695 0.000) 0.982 90.082 ( 12.365 12.365 0.000) 17.487 90.381 ( 3.368 3.368 0.000) 4.764 112.176 ( -0.046 -0.046 0.000) 0.066 112.186 ( -0.334 -0.334 0.000) 0.472======================= Grid point 340 (62/63) =======================q-point: ( 0.45 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 7.359 7.674 0.000) 10.632 2.044 ( -3.223 7.308 0.000) 7.987 2.058 ( 4.876 -1.010 0.000) 4.980 2.167 ( -5.691 -3.842 0.000) 6.866 2.459 ( 7.701 2.352 0.000) 8.052 2.538 ( 10.424 1.507 0.000) 10.532 2.609 ( -5.977 4.936 0.000) 7.751 2.730 ( -3.530 -3.588 -0.000) 5.033 2.756 ( -0.565 0.990 0.000) 1.140 2.845 ( -3.790 3.648 0.000) 5.260 3.133 ( 0.627 -1.370 0.000) 1.507 3.150 ( -1.189 -2.765 -0.000) 3.010 4.263 ( 1.590 3.692 0.000) 4.020 4.276 ( 0.143 4.623 0.000) 4.626 4.524 ( 11.243 1.517 0.000) 11.345 4.688 ( -5.650 -4.151 0.000) 7.011 4.822 ( 0.116 -10.056 0.000) 10.057 4.886 ( -3.759 -6.174 0.000) 7.228 5.469 ( -5.609 -4.240 0.000) 7.031 5.508 ( -7.872 -2.313 0.000) 8.205 6.628 ( 3.650 -4.492 0.000) 5.788 6.676 ( -1.047 -5.298 0.000) 5.400 7.575 ( 2.959 8.996 0.000) 9.470 7.578 ( 2.702 8.900 -0.000) 9.301 10.347 ( 3.621 6.674 0.000) 7.593 10.414 ( -3.276 6.766 0.000) 7.517 10.581 ( 3.359 -1.049 -0.000) 3.519 10.581 ( 3.013 0.819 0.000) 3.122 12.377 ( 4.846 13.891 0.000) 14.712 12.392 ( 3.262 13.317 0.000) 13.710 16.094 ( 10.528 13.533 0.000) 17.146 16.290 ( -8.882 9.172 0.000) 12.768 18.051 ( 11.732 12.150 0.000) 16.890 18.115 ( 5.346 11.882 0.000) 13.030 25.593 ( -2.281 -11.377 -0.000) 11.603 25.624 ( -4.760 -10.557 0.000) 11.580 25.876 ( -3.002 -15.036 0.000) 15.332 25.936 ( -9.548 -18.560 0.000) 20.872 30.023 ( 11.506 16.999 0.000) 20.527 30.207 ( -5.576 16.178 0.000) 17.112 31.046 ( 0.707 10.477 -0.000) 10.501 31.060 ( 0.571 11.199 0.000) 11.213 31.344 ( 5.572 -8.692 0.000) 10.325 31.396 ( 0.338 -6.646 0.000) 6.654 34.395 ( -2.104 -5.462 0.000) 5.854 34.404 ( -2.930 -5.487 0.000) 6.220 47.442 ( 9.473 2.385 0.000) 9.769 47.638 ( -9.977 -3.693 0.000) 10.639 48.627 ( 9.044 5.957 0.000) 10.829 48.781 ( -6.240 1.100 -0.000) 6.336 79.247 ( 2.871 4.213 0.000) 5.099 79.286 ( -0.833 3.396 0.000) 3.497 81.551 ( 0.946 6.647 0.000) 6.714 81.587 ( -2.551 5.601 0.000) 6.155 81.774 ( 5.519 -2.144 0.000) 5.921 81.837 ( -0.771 -3.847 0.000) 3.923 90.293 ( 8.208 9.940 0.000) 12.891 90.397 ( -2.083 6.756 0.000) 7.069 112.177 ( 0.102 -0.132 0.000) 0.167 112.180 ( -0.241 -0.235 0.000) 0.336======================= Grid point 362 (63/63) =======================q-point: ( 0.45 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 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| 2.053 ( 0.809 0.809 0.000) 1.144 2.080 ( 6.480 6.480 0.000) 9.165 2.090 ( -2.828 -2.828 -0.000) 4.000 2.149 ( 0.938 0.938 0.000) 1.327 2.455 ( 1.498 1.498 0.000) 2.118 2.559 ( -7.400 -7.400 0.000) 10.465 2.643 ( 5.466 5.466 0.000) 7.730 2.699 ( 0.269 0.269 -0.000) 0.380 2.840 ( 4.534 4.534 0.000) 6.412 2.892 ( 0.223 0.223 0.000) 0.316 3.095 ( -1.980 -1.980 0.000) 2.800 3.097 ( -1.802 -1.802 -0.000) 2.548 4.350 ( 3.645 3.645 0.000) 5.155 4.358 ( 2.646 2.646 0.000) 3.743 4.620 ( -2.124 -2.124 0.000) 3.004 4.657 ( -4.857 -4.857 0.000) 6.869 4.661 ( 9.914 9.914 0.000) 14.020 4.821 ( -2.628 -2.628 0.000) 3.716 5.294 ( -7.526 -7.526 0.000) 10.643 5.343 ( -10.015 -10.015 0.000) 14.163 6.615 ( 1.171 1.171 0.000) 1.657 6.634 ( -0.674 -0.674 0.000) 0.954 7.698 ( 3.148 3.148 0.000) 4.453 7.699 ( 3.064 3.064 -0.000) 4.333 10.439 ( 2.653 2.653 0.000) 3.752 10.472 ( -0.539 -0.539 0.000) 0.762 10.611 ( 2.660 2.660 0.000) 3.762 10.619 ( 1.881 1.881 0.000) 2.660 12.568 ( 5.009 5.009 0.000) 7.084 12.573 ( 4.502 4.502 0.000) 6.367 16.279 ( 5.898 5.898 0.000) 8.340 16.353 ( -1.305 -1.305 0.000) 1.845 18.281 ( 8.062 8.062 0.000) 11.402 18.309 ( 5.355 5.355 0.000) 7.574 25.397 ( -5.726 -5.726 0.000) 8.098 25.418 ( -7.566 -7.566 0.000) 10.700 25.706 ( -3.326 -3.326 0.000) 4.704 25.716 ( -4.606 -4.606 0.000) 6.514 30.312 ( 11.089 11.089 0.000) 15.682 30.410 ( 2.755 2.755 0.000) 3.896 31.176 ( 2.108 2.108 0.000) 2.981 31.215 ( 3.164 3.164 0.000) 4.475 31.245 ( 0.167 0.167 -0.000) 0.236 31.263 ( -5.182 -5.182 0.000) 7.328 34.318 ( -1.979 -1.979 0.000) 2.798 34.322 ( -2.378 -2.378 0.000) 3.363 47.497 ( 3.069 3.069 0.000) 4.340 47.564 ( -3.605 -3.605 0.000) 5.098 48.728 ( 3.937 3.937 0.000) 5.568 48.780 ( -1.263 -1.263 -0.000) 1.786 79.310 ( 1.963 1.963 0.000) 2.776 79.324 ( 0.537 0.537 0.000) 0.760 81.624 ( 1.200 1.200 0.000) 1.698 81.636 ( 0.004 0.004 0.000) 0.006 81.778 ( 1.781 1.781 0.000) 2.519 81.802 ( -0.526 -0.526 -0.000) 0.744 90.447 ( 4.974 4.974 0.000) 7.034 90.483 ( 1.416 1.416 0.000) 2.002 112.175 ( -0.007 -0.007 0.000) 0.011 112.177 ( -0.128 -0.128 0.000) 0.181=================== 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 3/29040 10.0 6.455 6.455 0.896 0.000 0.000 0.000 3/29040 20.0 7.377 7.377 0.414 -0.000 -0.000 0.000 3/29040 30.0 6.294 6.294 0.288 -0.000 -0.000 0.000 3/29040 40.0 5.195 5.195 0.230 -0.000 -0.000 0.000 3/29040 50.0 4.390 4.390 0.194 -0.000 -0.000 0.000 3/29040 60.0 3.806 3.806 0.169 -0.000 -0.000 0.000 3/29040 70.0 3.367 3.367 0.149 -0.000 -0.000 0.000 3/29040 80.0 3.024 3.024 0.134 -0.000 -0.000 0.000 3/29040 90.0 2.749 2.749 0.121 -0.000 -0.000 0.000 3/29040 100.0 2.526 2.526 0.111 -0.000 -0.000 0.000 3/29040 110.0 2.341 2.341 0.102 -0.000 -0.000 0.000 3/29040 120.0 2.185 2.185 0.094 -0.000 -0.000 0.000 3/29040 130.0 2.052 2.052 0.087 -0.000 -0.000 0.000 3/29040 140.0 1.937 1.937 0.081 -0.000 -0.000 0.000 3/29040 150.0 1.836 1.836 0.076 -0.000 -0.000 0.000 3/29040 160.0 1.747 1.747 0.072 -0.000 -0.000 0.000 3/29040 170.0 1.667 1.667 0.068 -0.000 -0.000 0.000 3/29040 180.0 1.595 1.595 0.064 -0.000 -0.000 0.000 3/29040 190.0 1.530 1.530 0.061 -0.000 -0.000 0.000 3/29040 200.0 1.471 1.471 0.058 -0.000 -0.000 0.000 3/29040 210.0 1.416 1.416 0.055 -0.000 -0.000 0.000 3/29040 220.0 1.365 1.365 0.053 -0.000 -0.000 0.000 3/29040 230.0 1.318 1.318 0.051 -0.000 -0.000 0.000 3/29040 240.0 1.275 1.275 0.049 -0.000 -0.000 0.000 3/29040 250.0 1.234 1.234 0.047 -0.000 -0.000 0.000 3/29040 260.0 1.196 1.196 0.045 -0.000 -0.000 0.000 3/29040 270.0 1.160 1.160 0.044 -0.000 -0.000 0.000 3/29040 280.0 1.127 1.127 0.042 -0.000 -0.000 0.000 3/29040 290.0 1.095 1.095 0.041 -0.000 -0.000 0.000 3/29040 300.0 1.066 1.066 0.039 -0.000 -0.000 0.000 3/29040 310.0 1.037 1.037 0.038 -0.000 -0.000 0.000 3/29040 320.0 1.011 1.011 0.037 -0.000 -0.000 0.000 3/29040 330.0 0.985 0.985 0.036 -0.000 -0.000 0.000 3/29040 340.0 0.961 0.961 0.035 -0.000 -0.000 0.000 3/29040 350.0 0.939 0.939 0.034 -0.000 -0.000 0.000 3/29040 360.0 0.917 0.917 0.033 -0.000 -0.000 0.000 3/29040 370.0 0.896 0.896 0.032 -0.000 -0.000 0.000 3/29040 380.0 0.876 0.876 0.031 -0.000 -0.000 0.000 3/29040 390.0 0.857 0.857 0.031 -0.000 -0.000 0.000 3/29040 400.0 0.839 0.839 0.030 -0.000 -0.000 0.000 3/29040 410.0 0.822 0.822 0.029 -0.000 -0.000 0.000 3/29040 420.0 0.805 0.805 0.029 -0.000 -0.000 0.000 3/29040 430.0 0.789 0.789 0.028 -0.000 -0.000 0.000 3/29040 440.0 0.774 0.774 0.027 -0.000 -0.000 0.000 3/29040 450.0 0.759 0.759 0.027 -0.000 -0.000 0.000 3/29040 460.0 0.745 0.745 0.026 -0.000 -0.000 0.000 3/29040 470.0 0.731 0.731 0.026 -0.000 -0.000 0.000 3/29040 480.0 0.718 0.718 0.025 -0.000 -0.000 0.000 3/29040 490.0 0.705 0.705 0.025 -0.000 -0.000 0.000 3/29040 500.0 0.693 0.693 0.024 -0.000 -0.000 0.000 3/29040 510.0 0.681 0.681 0.024 -0.000 -0.000 0.000 3/29040 520.0 0.669 0.669 0.023 -0.000 -0.000 0.000 3/29040 530.0 0.658 0.658 0.023 -0.000 -0.000 0.000 3/29040 540.0 0.648 0.648 0.023 -0.000 -0.000 0.000 3/29040 550.0 0.637 0.637 0.022 -0.000 -0.000 0.000 3/29040 560.0 0.627 0.627 0.022 -0.000 -0.000 0.000 3/29040 570.0 0.617 0.617 0.021 -0.000 -0.000 0.000 3/29040 580.0 0.608 0.608 0.021 -0.000 -0.000 0.000 3/29040 590.0 0.599 0.599 0.021 -0.000 -0.000 0.000 3/29040 600.0 0.590 0.590 0.020 -0.000 -0.000 0.000 3/29040 610.0 0.581 0.581 0.020 -0.000 -0.000 0.000 3/29040 620.0 0.572 0.572 0.020 -0.000 -0.000 0.000 3/29040 630.0 0.564 0.564 0.020 -0.000 -0.000 0.000 3/29040 640.0 0.556 0.556 0.019 -0.000 -0.000 0.000 3/29040 650.0 0.549 0.549 0.019 -0.000 -0.000 0.000 3/29040 660.0 0.541 0.541 0.019 -0.000 -0.000 0.000 3/29040 670.0 0.534 0.534 0.018 -0.000 -0.000 0.000 3/29040 680.0 0.526 0.526 0.018 -0.000 -0.000 0.000 3/29040 690.0 0.520 0.520 0.018 -0.000 -0.000 0.000 3/29040 700.0 0.513 0.513 0.018 -0.000 -0.000 0.000 3/29040 710.0 0.506 0.506 0.018 -0.000 -0.000 0.000 3/29040 720.0 0.500 0.500 0.017 -0.000 -0.000 0.000 3/29040 730.0 0.493 0.493 0.017 -0.000 -0.000 0.000 3/29040 740.0 0.487 0.487 0.017 -0.000 -0.000 0.000 3/29040 750.0 0.481 0.481 0.017 -0.000 -0.000 0.000 3/29040 760.0 0.475 0.475 0.016 -0.000 -0.000 0.000 3/29040 770.0 0.470 0.470 0.016 -0.000 -0.000 0.000 3/29040 780.0 0.464 0.464 0.016 -0.000 -0.000 0.000 3/29040 790.0 0.459 0.459 0.016 -0.000 -0.000 0.000 3/29040 800.0 0.453 0.453 0.016 -0.000 -0.000 0.000 3/29040 810.0 0.448 0.448 0.016 -0.000 -0.000 0.000 3/29040 820.0 0.443 0.443 0.015 -0.000 -0.000 0.000 3/29040 830.0 0.438 0.438 0.015 -0.000 -0.000 0.000 3/29040 840.0 0.433 0.433 0.015 -0.000 -0.000 0.000 3/29040 850.0 0.428 0.428 0.015 -0.000 -0.000 0.000 3/29040 860.0 0.424 0.424 0.015 -0.000 -0.000 0.000 3/29040 870.0 0.419 0.419 0.015 -0.000 -0.000 0.000 3/29040 880.0 0.415 0.415 0.014 -0.000 -0.000 0.000 3/29040 890.0 0.410 0.410 0.014 -0.000 -0.000 0.000 3/29040 900.0 0.406 0.406 0.014 -0.000 -0.000 0.000 3/29040 910.0 0.402 0.402 0.014 -0.000 -0.000 0.000 3/29040 920.0 0.398 0.398 0.014 -0.000 -0.000 0.000 3/29040 930.0 0.394 0.394 0.014 -0.000 -0.000 0.000 3/29040 940.0 0.390 0.390 0.014 -0.000 -0.000 0.000 3/29040 950.0 0.386 0.386 0.013 -0.000 -0.000 0.000 3/29040 960.0 0.382 0.382 0.013 -0.000 -0.000 0.000 3/29040 970.0 0.378 0.378 0.013 -0.000 -0.000 0.000 3/29040 980.0 0.375 0.375 0.013 -0.000 -0.000 0.000 3/29040 990.0 0.371 0.371 0.013 -0.000 -0.000 0.000 3/29040 1000.0 0.368 0.368 0.013 -0.000 -0.000 0.000 3/29040Thermal conductivity related properties were written into "kappa-m11114.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:05:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|