# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/21a57826-5edc-4b57-9698-f2b99791d4ff/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 Lu2SO2 / P-3m1 (164) / materials id 12673](https://mdr.nims.go.jp/datasets/4530b64d-4294-4f9b-8506-8ae379fb52aa) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:09:49]-------------------------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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 3.654995519550397 0.000000000000000 0.000000000000000 b -1.827497759775198 3.165318970648947 0.000000000000000 c 0.000000000000000 0.000000000000000 6.393198320000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.62949167087905 15.999 2 O 0.33333333333333 0.66666666666667 0.37050832912095 15.999 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *4 Lu 0.66666666666667 0.33333333333333 0.28360985638942 174.967 5 Lu 0.33333333333333 0.66666666666667 0.71639014361057 174.967-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.654995519550397 0.000000000000000 0.000000000000000 b -1.827497759775198 3.165318970648947 0.000000000000000 c 0.000000000000000 0.000000000000000 6.393198320000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.62949167087905 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.37050832912095 15.999 > 2 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 *4 Lu 0.66666666666667 0.33333333333333 0.28360985638942 174.967 > 4 5 Lu 0.33333333333333 0.66666666666667 0.71639014361057 174.967 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 10.964986558651191 0.000000000000000 0.000000000000000 b -5.482493279325594 9.495956911946841 0.000000000000000 c 0.000000000000000 0.000000000000000 12.786396640000000Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.31474583543952 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31474583543952 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31474583543952 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31474583543952 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31474583543952 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31474583543952 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31474583543952 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31474583543952 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31474583543952 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81474583543952 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81474583543952 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81474583543952 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81474583543952 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81474583543952 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81474583543952 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81474583543952 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81474583543952 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81474583543952 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18525416456048 15.999 > 2 20 O 0.44444444444444 0.22222222222222 0.18525416456048 15.999 > 2 21 O 0.77777777777778 0.22222222222222 0.18525416456048 15.999 > 2 22 O 0.11111111111111 0.55555555555556 0.18525416456048 15.999 > 2 23 O 0.44444444444444 0.55555555555556 0.18525416456048 15.999 > 2 24 O 0.77777777777778 0.55555555555556 0.18525416456048 15.999 > 2 25 O 0.11111111111111 0.88888888888889 0.18525416456048 15.999 > 2 26 O 0.44444444444444 0.88888888888889 0.18525416456048 15.999 > 2 27 O 0.77777777777778 0.88888888888889 0.18525416456048 15.999 > 2 28 O 0.11111111111111 0.22222222222222 0.68525416456048 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.68525416456048 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.68525416456048 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.68525416456048 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.68525416456048 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.68525416456048 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.68525416456048 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.68525416456048 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.68525416456048 15.999 > 2 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 3 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 3 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 3 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 3 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 3 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 3 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 3 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 3 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 3 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 3 *55 Lu 0.22222222222222 0.11111111111111 0.14180492819471 174.967 > 4 56 Lu 0.55555555555556 0.11111111111111 0.14180492819471 174.967 > 4 57 Lu 0.88888888888889 0.11111111111111 0.14180492819471 174.967 > 4 58 Lu 0.22222222222222 0.44444444444444 0.14180492819471 174.967 > 4 59 Lu 0.55555555555556 0.44444444444444 0.14180492819471 174.967 > 4 60 Lu 0.88888888888889 0.44444444444444 0.14180492819471 174.967 > 4 61 Lu 0.22222222222222 0.77777777777778 0.14180492819471 174.967 > 4 62 Lu 0.55555555555556 0.77777777777778 0.14180492819471 174.967 > 4 63 Lu 0.88888888888889 0.77777777777778 0.14180492819471 174.967 > 4 64 Lu 0.22222222222222 0.11111111111111 0.64180492819471 174.967 > 4 65 Lu 0.55555555555556 0.11111111111111 0.64180492819471 174.967 > 4 66 Lu 0.88888888888889 0.11111111111111 0.64180492819471 174.967 > 4 67 Lu 0.22222222222222 0.44444444444444 0.64180492819471 174.967 > 4 68 Lu 0.55555555555556 0.44444444444444 0.64180492819471 174.967 > 4 69 Lu 0.88888888888889 0.44444444444444 0.64180492819471 174.967 > 4 70 Lu 0.22222222222222 0.77777777777778 0.64180492819471 174.967 > 4 71 Lu 0.55555555555556 0.77777777777778 0.64180492819471 174.967 > 4 72 Lu 0.88888888888889 0.77777777777778 0.64180492819471 174.967 > 4 73 Lu 0.11111111111111 0.22222222222222 0.35819507180529 174.967 > 5 74 Lu 0.44444444444444 0.22222222222222 0.35819507180529 174.967 > 5 75 Lu 0.77777777777778 0.22222222222222 0.35819507180529 174.967 > 5 76 Lu 0.11111111111111 0.55555555555556 0.35819507180529 174.967 > 5 77 Lu 0.44444444444444 0.55555555555556 0.35819507180529 174.967 > 5 78 Lu 0.77777777777778 0.55555555555556 0.35819507180529 174.967 > 5 79 Lu 0.11111111111111 0.88888888888889 0.35819507180529 174.967 > 5 80 Lu 0.44444444444444 0.88888888888889 0.35819507180529 174.967 > 5 81 Lu 0.77777777777778 0.88888888888889 0.35819507180529 174.967 > 5 82 Lu 0.11111111111111 0.22222222222222 0.85819507180529 174.967 > 5 83 Lu 0.44444444444444 0.22222222222222 0.85819507180529 174.967 > 5 84 Lu 0.77777777777778 0.22222222222222 0.85819507180529 174.967 > 5 85 Lu 0.11111111111111 0.55555555555556 0.85819507180529 174.967 > 5 86 Lu 0.44444444444444 0.55555555555556 0.85819507180529 174.967 > 5 87 Lu 0.77777777777778 0.55555555555556 0.85819507180529 174.967 > 5 88 Lu 0.11111111111111 0.88888888888889 0.85819507180529 174.967 > 5 89 Lu 0.44444444444444 0.88888888888889 0.85819507180529 174.967 > 5 90 Lu 0.77777777777778 0.88888888888889 0.85819507180529 174.967 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2553868 -0.0000000 0.0000000 0.0000000 5.2553868 0.0000000 0.0000000 0.0000000 5.0983847-------------------------- Born effective charges -------------------------- 1 O -2.5785196 0.0000000 0.0000000 0.0000000 -2.5785196 0.0000000 0.0000000 0.0000000 -2.7068278 2 O -2.5785196 0.0000000 0.0000000 0.0000000 -2.5785196 0.0000000 0.0000000 0.0000000 -2.7068278 3 S -2.1518276 0.0000000 0.0000000 0.0000000 -2.1518276 0.0000000 0.0000000 0.0000000 -2.1990940 4 Lu 3.6544334 -0.0000000 0.0000000 0.0000000 3.6544334 0.0000000 0.0000000 0.0000000 3.8063748 5 Lu 3.6544334 -0.0000000 0.0000000 0.0000000 3.6544334 0.0000000 0.0000000 0.0000000 3.8063748----------------------------------------------------------------------------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: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.105Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.111--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), 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 00:09:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:09:52]-------------------------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): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.654995519550397 0.000000000000000 0.000000000000000 b -1.827497759775198 3.165318970648947 0.000000000000000 c 0.000000000000000 0.000000000000000 6.393198320000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.62949167087905 15.999 2 O 0.33333333333333 0.66666666666667 0.37050832912095 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Lu 0.66666666666667 0.33333333333333 0.28360985638942 174.967 5 Lu 0.33333333333333 0.66666666666667 0.71639014361057 174.967-------------------------------- supercell ---------------------------------Lattice vectors: a 10.964986558651191 0.000000000000000 0.000000000000000 b -5.482493279325594 9.495956911946841 0.000000000000000 c 0.000000000000000 0.000000000000000 12.786396640000000Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.31474583543952 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31474583543952 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31474583543952 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31474583543952 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31474583543952 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31474583543952 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31474583543952 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31474583543952 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31474583543952 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81474583543952 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81474583543952 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81474583543952 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81474583543952 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81474583543952 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81474583543952 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81474583543952 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81474583543952 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81474583543952 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18525416456048 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.18525416456048 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.18525416456048 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.18525416456048 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.18525416456048 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.18525416456048 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.18525416456048 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.18525416456048 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.18525416456048 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.68525416456048 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.68525416456048 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.68525416456048 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.68525416456048 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.68525416456048 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.68525416456048 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.68525416456048 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.68525416456048 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.68525416456048 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Lu 0.22222222222222 0.11111111111111 0.14180492819471 174.967 > 55 56 Lu 0.55555555555556 0.11111111111111 0.14180492819471 174.967 > 55 57 Lu 0.88888888888889 0.11111111111111 0.14180492819471 174.967 > 55 58 Lu 0.22222222222222 0.44444444444444 0.14180492819471 174.967 > 55 59 Lu 0.55555555555556 0.44444444444444 0.14180492819471 174.967 > 55 60 Lu 0.88888888888889 0.44444444444444 0.14180492819471 174.967 > 55 61 Lu 0.22222222222222 0.77777777777778 0.14180492819471 174.967 > 55 62 Lu 0.55555555555556 0.77777777777778 0.14180492819471 174.967 > 55 63 Lu 0.88888888888889 0.77777777777778 0.14180492819471 174.967 > 55 64 Lu 0.22222222222222 0.11111111111111 0.64180492819471 174.967 > 55 65 Lu 0.55555555555556 0.11111111111111 0.64180492819471 174.967 > 55 66 Lu 0.88888888888889 0.11111111111111 0.64180492819471 174.967 > 55 67 Lu 0.22222222222222 0.44444444444444 0.64180492819471 174.967 > 55 68 Lu 0.55555555555556 0.44444444444444 0.64180492819471 174.967 > 55 69 Lu 0.88888888888889 0.44444444444444 0.64180492819471 174.967 > 55 70 Lu 0.22222222222222 0.77777777777778 0.64180492819471 174.967 > 55 71 Lu 0.55555555555556 0.77777777777778 0.64180492819471 174.967 > 55 72 Lu 0.88888888888889 0.77777777777778 0.64180492819471 174.967 > 55 73 Lu 0.11111111111111 0.22222222222222 0.35819507180529 174.967 > 73 74 Lu 0.44444444444444 0.22222222222222 0.35819507180529 174.967 > 73 75 Lu 0.77777777777778 0.22222222222222 0.35819507180529 174.967 > 73 76 Lu 0.11111111111111 0.55555555555556 0.35819507180529 174.967 > 73 77 Lu 0.44444444444444 0.55555555555556 0.35819507180529 174.967 > 73 78 Lu 0.77777777777778 0.55555555555556 0.35819507180529 174.967 > 73 79 Lu 0.11111111111111 0.88888888888889 0.35819507180529 174.967 > 73 80 Lu 0.44444444444444 0.88888888888889 0.35819507180529 174.967 > 73 81 Lu 0.77777777777778 0.88888888888889 0.35819507180529 174.967 > 73 82 Lu 0.11111111111111 0.22222222222222 0.85819507180529 174.967 > 73 83 Lu 0.44444444444444 0.22222222222222 0.85819507180529 174.967 > 73 84 Lu 0.77777777777778 0.22222222222222 0.85819507180529 174.967 > 73 85 Lu 0.11111111111111 0.55555555555556 0.85819507180529 174.967 > 73 86 Lu 0.44444444444444 0.55555555555556 0.85819507180529 174.967 > 73 87 Lu 0.77777777777778 0.55555555555556 0.85819507180529 174.967 > 73 88 Lu 0.11111111111111 0.88888888888889 0.85819507180529 174.967 > 73 89 Lu 0.44444444444444 0.88888888888889 0.85819507180529 174.967 > 73 90 Lu 0.77777777777778 0.88888888888889 0.85819507180529 174.967 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2553868 -0.0000000 0.0000000 0.0000000 5.2553868 0.0000000 0.0000000 0.0000000 5.0983847-------------------------- Born effective charges -------------------------- 1 O -2.5785196 0.0000000 0.0000000 0.0000000 -2.5785196 0.0000000 0.0000000 0.0000000 -2.7068278 2 O -2.5785196 0.0000000 0.0000000 0.0000000 -2.5785196 0.0000000 0.0000000 0.0000000 -2.7068278 3 S -2.1518276 0.0000000 0.0000000 0.0000000 -2.1518276 0.0000000 0.0000000 0.0000000 -2.1990940 4 Lu 3.6544334 -0.0000000 0.0000000 0.0000000 3.6544334 0.0000000 0.0000000 0.0000000 3.8063748 5 Lu 3.6544334 -0.0000000 0.0000000 0.0000000 3.6544334 0.0000000 0.0000000 0.0000000 3.8063748----------------------------------------------------------------------------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[ 37, 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[ 55, 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: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 00:09:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:09:56]-------------------------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): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.654995519550397 0.000000000000000 0.000000000000000 b -1.827497759775198 3.165318970648947 0.000000000000000 c 0.000000000000000 0.000000000000000 6.393198320000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.62949167087905 15.999 2 O 0.33333333333333 0.66666666666667 0.37050832912095 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Lu 0.66666666666667 0.33333333333333 0.28360985638942 174.967 5 Lu 0.33333333333333 0.66666666666667 0.71639014361057 174.967-------------------------------- supercell ---------------------------------Lattice vectors: a 10.964986558651191 0.000000000000000 0.000000000000000 b -5.482493279325594 9.495956911946841 0.000000000000000 c 0.000000000000000 0.000000000000000 12.786396640000000Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.31474583543952 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31474583543952 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31474583543952 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31474583543952 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31474583543952 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31474583543952 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31474583543952 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31474583543952 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31474583543952 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81474583543952 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81474583543952 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81474583543952 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81474583543952 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81474583543952 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81474583543952 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81474583543952 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81474583543952 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81474583543952 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18525416456048 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.18525416456048 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.18525416456048 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.18525416456048 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.18525416456048 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.18525416456048 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.18525416456048 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.18525416456048 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.18525416456048 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.68525416456048 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.68525416456048 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.68525416456048 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.68525416456048 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.68525416456048 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.68525416456048 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.68525416456048 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.68525416456048 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.68525416456048 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Lu 0.22222222222222 0.11111111111111 0.14180492819471 174.967 > 55 56 Lu 0.55555555555556 0.11111111111111 0.14180492819471 174.967 > 55 57 Lu 0.88888888888889 0.11111111111111 0.14180492819471 174.967 > 55 58 Lu 0.22222222222222 0.44444444444444 0.14180492819471 174.967 > 55 59 Lu 0.55555555555556 0.44444444444444 0.14180492819471 174.967 > 55 60 Lu 0.88888888888889 0.44444444444444 0.14180492819471 174.967 > 55 61 Lu 0.22222222222222 0.77777777777778 0.14180492819471 174.967 > 55 62 Lu 0.55555555555556 0.77777777777778 0.14180492819471 174.967 > 55 63 Lu 0.88888888888889 0.77777777777778 0.14180492819471 174.967 > 55 64 Lu 0.22222222222222 0.11111111111111 0.64180492819471 174.967 > 55 65 Lu 0.55555555555556 0.11111111111111 0.64180492819471 174.967 > 55 66 Lu 0.88888888888889 0.11111111111111 0.64180492819471 174.967 > 55 67 Lu 0.22222222222222 0.44444444444444 0.64180492819471 174.967 > 55 68 Lu 0.55555555555556 0.44444444444444 0.64180492819471 174.967 > 55 69 Lu 0.88888888888889 0.44444444444444 0.64180492819471 174.967 > 55 70 Lu 0.22222222222222 0.77777777777778 0.64180492819471 174.967 > 55 71 Lu 0.55555555555556 0.77777777777778 0.64180492819471 174.967 > 55 72 Lu 0.88888888888889 0.77777777777778 0.64180492819471 174.967 > 55 73 Lu 0.11111111111111 0.22222222222222 0.35819507180529 174.967 > 73 74 Lu 0.44444444444444 0.22222222222222 0.35819507180529 174.967 > 73 75 Lu 0.77777777777778 0.22222222222222 0.35819507180529 174.967 > 73 76 Lu 0.11111111111111 0.55555555555556 0.35819507180529 174.967 > 73 77 Lu 0.44444444444444 0.55555555555556 0.35819507180529 174.967 > 73 78 Lu 0.77777777777778 0.55555555555556 0.35819507180529 174.967 > 73 79 Lu 0.11111111111111 0.88888888888889 0.35819507180529 174.967 > 73 80 Lu 0.44444444444444 0.88888888888889 0.35819507180529 174.967 > 73 81 Lu 0.77777777777778 0.88888888888889 0.35819507180529 174.967 > 73 82 Lu 0.11111111111111 0.22222222222222 0.85819507180529 174.967 > 73 83 Lu 0.44444444444444 0.22222222222222 0.85819507180529 174.967 > 73 84 Lu 0.77777777777778 0.22222222222222 0.85819507180529 174.967 > 73 85 Lu 0.11111111111111 0.55555555555556 0.85819507180529 174.967 > 73 86 Lu 0.44444444444444 0.55555555555556 0.85819507180529 174.967 > 73 87 Lu 0.77777777777778 0.55555555555556 0.85819507180529 174.967 > 73 88 Lu 0.11111111111111 0.88888888888889 0.85819507180529 174.967 > 73 89 Lu 0.44444444444444 0.88888888888889 0.85819507180529 174.967 > 73 90 Lu 0.77777777777778 0.88888888888889 0.85819507180529 174.967 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2553868 -0.0000000 0.0000000 0.0000000 5.2553868 0.0000000 0.0000000 0.0000000 5.0983847-------------------------- Born effective charges -------------------------- 1 O -2.5785196 0.0000000 0.0000000 0.0000000 -2.5785196 0.0000000 0.0000000 0.0000000 -2.7068278 2 O -2.5785196 0.0000000 0.0000000 0.0000000 -2.5785196 0.0000000 0.0000000 0.0000000 -2.7068278 3 S -2.1518276 0.0000000 0.0000000 0.0000000 -2.1518276 0.0000000 0.0000000 0.0000000 -2.1990940 4 Lu 3.6544334 -0.0000000 0.0000000 0.0000000 3.6544334 0.0000000 0.0000000 0.0000000 3.8063748 5 Lu 3.6544334 -0.0000000 0.0000000 0.0000000 3.6544334 0.0000000 0.0000000 0.0000000 3.8063748----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz)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 ... [ 16 16 8 ]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: 0.99, Number of G-points: 301, Lambda: 0.24Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/213) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 213Calculating 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 3.190 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/213) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( 20.402 11.779 -0.750) 23.570 0.636 ( 27.336 15.783 1.370) 31.595 0.998 ( 43.374 25.042 -0.480) 50.086 3.209 ( 1.597 0.922 0.370) 1.881 3.295 ( 8.950 5.167 -0.355) 10.341 5.598 ( -4.265 -2.462 0.109) 4.926 6.271 ( 1.728 0.998 0.135) 2.000 7.380 ( 2.808 1.621 -0.335) 3.260 7.679 ( 1.330 0.768 2.653) 3.065 11.965 ( -2.499 -1.443 0.986) 3.049 13.144 ( -25.362 -14.643 -4.664) 29.655 14.229 ( -0.369 -0.213 -0.948) 1.039 14.536 ( 13.466 7.775 28.757) 32.692 14.691 ( -5.283 -3.050 -15.317) 16.487 16.128 ( 6.821 3.938 -9.264) 12.160======================= Grid point 2 (3/213) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 20.632 11.912 -0.699) 23.834 1.235 ( 25.065 14.471 1.604) 28.987 1.967 ( 41.363 23.881 -0.917) 47.771 3.261 ( 2.967 1.713 0.854) 3.531 3.578 ( 15.349 8.862 -0.718) 17.738 5.460 ( -7.627 -4.404 0.888) 8.852 6.330 ( 3.444 1.988 0.255) 3.985 7.468 ( 4.669 2.696 -0.865) 5.461 7.721 ( 2.229 1.287 5.677) 6.233 11.875 ( -5.515 -3.184 1.623) 6.571 12.548 ( -25.678 -14.825 -2.598) 29.763 14.223 ( 0.034 0.020 -1.618) 1.619 14.309 ( -17.377 -10.033 13.362) 24.107 15.000 ( 16.342 9.435 1.103) 18.903 16.307 ( 8.159 4.710 -13.182) 16.203======================= Grid point 3 (4/213) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 20.394 11.774 -0.895) 23.566 1.772 ( 21.922 12.657 1.755) 25.374 2.866 ( 36.886 21.296 -2.838) 42.687 3.341 ( 3.929 2.268 1.515) 4.783 3.969 ( 18.398 10.622 -0.669) 21.255 5.265 ( -9.058 -5.230 3.082) 10.904 6.427 ( 4.964 2.866 0.358) 5.743 7.581 ( 4.948 2.857 -1.270) 5.853 7.777 ( 2.684 1.550 8.771) 9.303 11.711 ( -8.944 -5.164 1.700) 10.466 12.010 ( -20.934 -12.086 -0.820) 24.186 13.876 ( -20.121 -11.617 8.412) 24.710 14.238 ( 1.382 0.798 -1.827) 2.425 15.315 ( 11.258 6.500 3.718) 13.521 16.479 ( 6.666 3.849 -14.015) 15.990======================= Grid point 4 (5/213) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 19.097 11.026 -1.426) 22.098 2.234 ( 18.581 10.728 1.509) 21.508 3.436 ( 4.368 2.522 2.279) 5.534 3.604 ( 26.301 15.185 -8.286) 31.480 4.403 ( 19.647 11.343 1.235) 22.720 5.078 ( -6.224 -3.593 7.277) 10.227 6.552 ( 5.928 3.423 0.452) 6.860 7.676 ( 3.068 1.771 0.957) 3.669 7.847 ( 3.525 2.035 8.958) 9.839 11.472 ( -11.806 -6.816 1.299) 13.694 11.611 ( -13.851 -7.997 -0.088) 15.994 13.405 ( -20.955 -12.098 4.921) 24.692 14.289 ( 3.008 1.737 -1.613) 3.830 15.519 ( 6.762 3.904 4.273) 8.900 16.605 ( 4.316 2.492 -13.537) 14.425======================= Grid point 5 (6/213) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 16.334 9.430 -2.055) 18.973 2.622 ( 15.576 8.993 0.667) 17.998 3.535 ( 4.212 2.432 2.860) 5.642 3.976 ( 5.455 3.149 -12.925) 14.379 4.872 ( 21.047 12.151 3.314) 24.528 5.040 ( 3.717 2.146 10.708) 11.536 6.690 ( 5.970 3.447 0.523) 6.913 7.715 ( 0.454 0.262 5.958) 5.981 7.937 ( 4.212 2.432 5.019) 6.988 11.187 ( -12.780 -7.378 0.735) 14.775 11.382 ( -6.240 -3.603 -0.042) 7.206 12.931 ( -20.447 -11.805 2.168) 23.710 14.370 ( 3.951 2.281 -1.196) 4.716 15.634 ( 3.633 2.098 4.339) 6.035 16.678 ( 2.140 1.236 -12.091) 12.341======================= Grid point 6 (7/213) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( 12.001 6.929 -2.262) 14.041 2.949 ( 13.200 7.621 -0.556) 15.252 3.624 ( 3.404 1.965 2.818) 4.836 3.927 ( -7.222 -4.170 -7.715) 11.361 5.173 ( 7.649 4.416 2.635) 9.217 5.345 ( 17.903 10.336 6.981) 21.820 6.816 ( 4.897 2.827 0.505) 5.677 7.708 ( -0.776 -0.448 7.418) 7.472 8.028 ( 3.527 2.036 2.196) 4.627 10.910 ( -10.985 -6.342 0.291) 12.688 11.319 ( 0.433 0.250 0.020) 0.500 12.484 ( -18.416 -10.633 0.290) 21.267 14.459 ( 3.658 2.112 -0.759) 4.292 15.694 ( 1.740 1.004 3.747) 4.252 16.708 ( 0.696 0.402 -9.365) 9.400======================= Grid point 7 (8/213) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 6.361 3.673 -1.549) 7.507 3.230 ( 11.583 6.688 -1.373) 13.445 3.686 ( 1.936 1.118 1.809) 2.875 3.721 ( -10.085 -5.823 -2.306) 11.871 5.318 ( 4.620 2.668 1.170) 5.462 5.670 ( 9.975 5.759 3.188) 11.951 6.905 ( 2.780 1.605 0.325) 3.226 7.689 ( -0.750 -0.433 4.831) 4.908 8.092 ( 1.977 1.141 0.815) 2.424 10.707 ( -6.396 -3.693 0.068) 7.386 11.384 ( 4.635 2.676 0.283) 5.360 12.110 ( -13.711 -7.916 -0.546) 15.842 14.528 ( 2.179 1.258 -0.365) 2.543 15.720 ( 0.673 0.389 2.229) 2.361 16.716 ( 0.083 0.048 -5.186) 5.187======================= Grid point 8 (9/213) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 298Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.001 0.001 -0.000) 0.001 3.483 ( -0.001 -0.001 0.000) 0.001 3.708 ( 0.000 0.000 -0.000) 0.000 5.372 ( 0.000 0.000 -0.000) 0.000 5.785 ( 0.000 0.000 -0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 11.464 ( 0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 -0.000) 0.000 14.553 ( 0.000 0.000 -0.000) 0.000 15.727 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 -0.000) 0.000======================= Grid point 18 (10/213) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( 12.130 21.010 0.000) 24.260 1.081 ( 14.886 25.783 0.000) 29.771 1.709 ( 24.183 41.887 0.000) 48.366 3.249 ( 1.754 3.038 0.000) 3.508 3.485 ( 7.869 13.629 0.000) 15.737 5.504 ( -3.964 -6.866 0.000) 7.928 6.311 ( 1.759 3.047 0.000) 3.519 7.439 ( 2.436 4.220 0.000) 4.873 7.707 ( 1.137 1.969 0.000) 2.274 11.909 ( -2.566 -4.445 0.000) 5.133 12.718 ( -14.805 -25.643 0.000) 29.610 14.112 ( -4.901 -8.488 0.000) 9.801 14.501 ( -5.676 -9.832 0.000) 11.353 14.917 ( 11.428 19.794 0.000) 22.856 16.246 ( 4.168 7.220 0.000) 8.337======================= Grid point 19 (11/213) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 15.305 19.155 -0.410) 24.522 1.590 ( 17.404 20.092 0.942) 26.599 2.554 ( 29.564 33.493 -1.029) 44.686 3.324 ( 2.569 4.604 0.707) 5.319 3.812 ( 13.552 14.339 -0.452) 19.735 5.337 ( -6.710 -7.764 1.129) 10.323 6.391 ( 3.381 4.170 0.173) 5.371 7.538 ( 3.895 4.211 -0.646) 5.772 7.753 ( 1.909 1.850 4.176) 4.951 11.783 ( -6.008 -6.347 0.925) 8.789 12.208 ( -17.975 -18.338 -0.729) 25.689 13.880 ( -6.333 -20.488 3.486) 21.726 14.340 ( -6.238 0.794 0.664) 6.323 15.270 ( 8.444 15.890 2.416) 18.156 16.392 ( 6.236 3.595 -7.956) 10.729======================= Grid point 20 (12/213) =======================q-point: ( 0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( 15.715 17.791 -0.817) 23.752 2.059 ( 16.554 15.672 1.248) 22.829 3.326 ( 23.588 20.983 -3.277) 31.739 3.436 ( 5.885 10.260 0.463) 11.837 4.210 ( 16.561 13.344 0.166) 21.269 5.143 ( -6.793 -6.711 4.034) 10.367 6.506 ( 4.570 5.190 0.307) 6.922 7.643 ( 3.602 3.254 -0.488) 4.879 7.808 ( 2.692 1.398 7.242) 7.852 11.577 ( -9.181 -8.498 1.027) 12.553 11.775 ( -15.311 -11.031 -0.081) 18.871 13.508 ( -11.705 -21.889 4.122) 25.162 14.304 ( -1.120 3.485 -0.985) 3.790 15.514 ( 3.861 12.356 4.129) 13.588 16.519 ( 6.309 0.099 -11.182) 12.840======================= Grid point 21 (13/213) =======================q-point: ( 0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( 14.262 16.056 -1.389) 21.521 2.464 ( 14.762 12.173 0.907) 19.155 3.514 ( 3.010 4.969 2.224) 6.221 3.906 ( 12.220 14.518 -11.105) 21.987 4.642 ( 19.491 12.610 3.692) 23.506 5.021 ( -0.880 -1.651 7.952) 8.169 6.644 ( 4.943 5.836 0.417) 7.659 7.709 ( 1.219 1.556 3.303) 3.849 7.879 ( 4.232 1.045 5.763) 7.226 11.324 ( -10.762 -7.647 0.785) 13.225 11.466 ( -10.195 -6.845 0.051) 12.280 13.073 ( -14.499 -19.942 2.581) 24.791 14.353 ( 1.990 4.267 -1.228) 4.866 15.654 ( 0.518 9.030 4.833) 10.256 16.607 ( 5.206 -2.270 -11.783) 13.080======================= Grid point 22 (14/213) =======================q-point: ( 0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.490 ( 11.028 13.525 -1.871) 17.551 2.807 ( 12.956 9.460 0.022) 16.042 3.602 ( 2.236 3.394 2.461) 4.751 4.034 ( -5.085 3.618 -10.298) 12.042 5.093 ( 7.792 6.237 1.383) 10.077 5.117 ( 19.307 9.015 10.354) 23.690 6.782 ( 4.232 5.876 0.474) 7.257 7.720 ( -0.689 0.289 6.869) 6.910 7.965 ( 4.787 0.292 2.544) 5.429 11.056 ( -12.419 -5.769 0.464) 13.701 11.312 ( -1.898 -3.638 -0.046) 4.103 12.633 ( -14.955 -17.420 0.852) 22.974 14.443 ( 2.729 5.082 -1.006) 5.855 15.720 ( -1.158 5.997 4.683) 7.697 16.655 ( 3.813 -3.397 -10.432) 11.614======================= Grid point 23 (15/213) =======================q-point: ( 0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.758 ( 6.287 10.164 -1.799) 12.086 3.097 ( 11.478 7.157 -0.844) 13.552 3.640 ( 0.394 -1.838 1.272) 2.270 3.922 ( -10.345 5.412 -3.830) 12.287 5.256 ( 6.201 3.730 2.230) 7.572 5.513 ( 15.024 6.416 4.275) 16.886 6.896 ( 2.408 5.216 0.402) 5.759 7.703 ( -1.164 -0.146 6.232) 6.342 8.039 ( 4.031 -0.877 0.921) 4.227 10.813 ( -9.839 -3.496 0.177) 10.443 11.314 ( 4.169 -0.854 0.139) 4.258 12.233 ( -13.025 -14.165 -0.297) 19.246 14.534 ( 1.427 5.526 -0.656) 5.745 15.743 ( -1.486 3.491 3.487) 5.153 16.675 ( 2.725 -3.606 -7.241) 8.536======================= Grid point 24 (16/213) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.899 ( 0.493 6.427 -0.784) 6.494 3.341 ( 10.441 4.027 -0.905) 11.227 3.551 ( -5.392 -6.481 0.134) 8.432 3.849 ( -7.707 10.879 -0.048) 13.332 5.357 ( 2.417 1.125 0.608) 2.735 5.733 ( 6.301 0.534 1.418) 6.480 6.961 ( -0.285 3.915 0.161) 3.928 7.685 ( -0.617 0.035 2.453) 2.529 8.081 ( 2.503 -2.139 0.223) 3.300 10.671 ( -4.337 -0.100 0.039) 4.338 11.404 ( 5.618 -0.905 0.261) 5.697 11.942 ( -6.079 -8.509 -0.443) 10.466 14.591 ( -1.148 5.066 -0.232) 5.199 15.746 ( -1.170 2.039 1.302) 2.687 16.681 ( 2.142 -3.487 -2.600) 4.849======================= Grid point 35 (17/213) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 12.389 21.458 0.000) 24.778 1.992 ( 11.595 20.084 0.000) 23.191 3.218 ( 17.855 30.925 0.000) 35.709 3.445 ( 5.148 8.917 0.000) 10.297 4.128 ( 9.957 17.246 0.000) 19.914 5.169 ( -5.056 -8.757 0.000) 10.112 6.494 ( 3.555 6.157 0.000) 7.109 7.626 ( 2.605 4.512 0.000) 5.210 7.790 ( 1.092 1.891 0.000) 2.183 11.614 ( -6.205 -10.748 0.000) 12.410 11.863 ( -9.212 -15.956 0.000) 18.424 13.477 ( -11.787 -20.416 0.000) 23.575 14.341 ( 0.105 0.181 0.000) 0.209 15.562 ( 7.359 12.745 0.000) 14.717 16.450 ( 1.365 2.364 0.000) 2.730======================= Grid point 36 (18/213) =======================q-point: ( 0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( 12.615 19.963 -0.422) 23.618 2.370 ( 11.860 15.553 0.418) 19.563 3.513 ( 3.576 5.897 0.680) 6.930 3.869 ( 14.430 23.957 -4.412) 28.313 4.481 ( 13.522 13.771 1.787) 19.383 5.026 ( -2.732 -4.153 2.889) 5.749 6.629 ( 4.445 7.175 0.158) 8.442 7.704 ( 1.874 2.887 0.685) 3.510 7.830 ( 2.134 0.828 2.864) 3.666 11.387 ( -7.246 -9.972 0.268) 12.330 11.574 ( -10.168 -9.838 0.140) 14.149 13.071 ( -11.257 -21.919 1.118) 24.666 14.369 ( 1.277 3.562 -0.536) 3.822 15.758 ( 1.482 11.547 3.287) 12.097 16.490 ( 3.669 -2.805 -6.070) 7.627======================= Grid point 37 (19/213) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 10.512 17.806 -0.884) 20.696 2.703 ( 11.217 11.912 0.215) 16.364 3.602 ( 1.728 3.090 1.235) 3.749 4.167 ( -1.001 12.232 -9.620) 15.593 4.875 ( 18.413 9.643 8.031) 22.283 5.045 ( 4.789 5.177 2.414) 7.454 6.780 ( 4.227 7.750 0.285) 8.832 7.737 ( -0.370 1.146 4.386) 4.548 7.886 ( 3.975 -0.287 1.486) 4.254 11.181 ( -8.157 -6.757 0.341) 10.597 11.332 ( -6.958 -6.808 0.040) 9.735 12.663 ( -11.507 -20.918 0.741) 23.886 14.453 ( 2.804 5.987 -0.862) 6.667 15.844 ( -3.311 9.639 5.397) 11.532 16.523 ( 5.319 -5.976 -8.980) 12.027======================= Grid point 38 (20/213) =======================q-point: ( 0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.774 ( 6.577 14.584 -1.385) 16.059 2.990 ( 10.161 9.096 -0.043) 13.638 3.624 ( -0.242 -1.593 0.695) 1.755 4.169 ( -8.902 10.706 -5.663) 15.031 5.174 ( 8.707 3.382 5.670) 10.927 5.311 ( 15.314 8.417 1.932) 17.582 6.918 ( 2.773 7.674 0.332) 8.167 7.725 ( -1.410 0.026 5.957) 6.121 7.950 ( 4.431 -1.623 0.050) 4.719 10.955 ( -10.595 -4.599 0.270) 11.554 11.241 ( 1.486 -3.369 0.023) 3.682 12.275 ( -10.866 -18.292 -0.035) 21.276 14.570 ( 2.480 7.762 -0.881) 8.196 15.849 ( -5.063 6.545 5.179) 9.762 16.553 ( 5.416 -6.670 -8.173) 11.859======================= Grid point 39 (21/213) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.971 ( 1.584 11.032 -1.399) 11.233 3.224 ( 8.499 5.574 0.202) 10.166 3.565 ( -2.771 -4.562 -0.167) 5.340 4.129 ( -9.767 14.238 -1.599) 17.340 5.313 ( 4.517 1.960 1.774) 5.234 5.591 ( 10.802 1.318 1.828) 11.035 7.017 ( 0.199 6.867 0.228) 6.874 7.699 ( -1.090 -0.398 3.991) 4.156 7.999 ( 3.724 -2.949 -0.216) 4.756 10.766 ( -7.241 -1.458 0.128) 7.387 11.286 ( 5.858 -1.834 0.217) 6.142 11.949 ( -7.618 -14.082 -0.466) 16.017 14.674 ( -0.174 8.441 -0.598) 8.464 15.818 ( -4.104 3.922 3.077) 6.458 16.574 ( 4.579 -6.379 -4.688) 9.145======================= Grid point 40 (22/213) =======================q-point: ( 0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( -4.376 7.579 0.000) 8.752 3.357 ( 1.492 -2.585 -0.000) 2.984 3.484 ( 0.009 -0.016 -0.000) 0.019 4.117 ( -9.099 15.760 -0.000) 18.198 5.362 ( 0.312 -0.541 0.000) 0.625 5.691 ( 2.683 -4.647 0.000) 5.366 7.054 ( -3.056 5.294 0.000) 6.113 7.687 ( 0.035 -0.061 0.000) 0.071 8.016 ( 2.337 -4.048 -0.000) 4.674 10.695 ( -1.326 2.297 -0.000) 2.652 11.347 ( 2.614 -4.528 -0.000) 5.228 11.794 ( 3.621 -6.272 0.000) 7.242 14.716 ( -4.163 7.210 0.000) 8.326 15.800 ( -2.065 3.577 -0.000) 4.130 16.582 ( 3.708 -6.423 -0.000) 7.416======================= Grid point 53 (23/213) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 10.918 18.911 0.000) 21.836 2.665 ( 8.215 14.229 0.000) 16.430 3.602 ( 1.607 2.784 0.000) 3.215 4.258 ( 7.899 13.682 0.000) 15.799 4.743 ( 7.499 12.988 0.000) 14.998 5.030 ( 3.213 5.565 0.000) 6.426 6.783 ( 4.704 8.147 0.000) 9.408 7.749 ( 0.754 1.306 0.000) 1.508 7.845 ( 0.545 0.944 0.000) 1.090 11.209 ( -4.542 -7.867 0.000) 9.084 11.373 ( -5.980 -10.358 0.000) 11.961 12.651 ( -11.851 -20.527 0.000) 23.703 14.459 ( 3.319 5.749 0.000) 6.638 15.947 ( 4.107 7.113 0.000) 8.213 16.423 ( -1.968 -3.409 0.000) 3.936======================= Grid point 54 (24/213) =======================q-point: ( 0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( 7.938 15.514 -0.595) 17.437 2.934 ( 8.360 11.797 0.235) 14.460 3.614 ( -0.656 -1.840 0.142) 1.959 4.404 ( -3.317 11.760 -4.297) 12.952 5.008 ( 12.113 5.309 5.327) 14.258 5.215 ( 7.558 9.853 -0.312) 12.422 6.942 ( 4.014 8.451 0.126) 9.356 7.748 ( -1.268 -0.299 3.089) 3.352 7.874 ( 2.564 -0.490 -0.742) 2.714 11.053 ( -6.619 -6.611 0.124) 9.356 11.208 ( -2.523 -5.115 0.014) 5.704 12.264 ( -10.282 -19.200 0.022) 21.780 14.594 ( 4.059 8.232 -0.442) 9.188 16.019 ( -4.577 7.793 4.900) 10.280 16.381 ( 4.310 -8.045 -6.011) 10.928======================= Grid point 55 (25/213) =======================q-point: ( 0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.037 ( 4.370 11.266 -1.959) 12.241 3.172 ( 6.164 9.609 1.715) 11.544 3.557 ( -1.742 -4.456 -0.465) 4.807 4.436 ( -7.873 15.380 -2.782) 17.501 5.225 ( 8.644 1.753 3.797) 9.602 5.431 ( 8.871 3.495 0.171) 9.536 7.077 ( 1.885 8.259 0.150) 8.472 7.711 ( -1.496 -1.730 3.576) 4.245 7.914 ( 3.013 -1.654 -0.899) 3.553 10.869 ( -7.323 -4.209 0.144) 8.447 11.188 ( 3.160 -1.672 0.097) 3.576 11.929 ( -7.975 -16.439 -0.273) 18.273 14.745 ( 2.676 9.705 -0.634) 10.087 15.966 ( -7.782 5.173 4.858) 10.532 16.403 ( 6.766 -8.194 -5.817) 12.114======================= Grid point 56 (26/213) =======================q-point: ( 0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.176 ( -0.464 9.354 -2.068) 9.591 3.306 ( 2.223 2.366 2.859) 4.326 3.493 ( -1.141 -2.099 -1.199) 2.673 4.447 ( -9.648 17.209 -0.807) 19.746 5.334 ( 3.038 0.273 1.147) 3.258 5.562 ( 6.457 -4.174 0.246) 7.692 7.159 ( -1.618 7.297 0.054) 7.475 7.676 ( 0.033 -2.284 1.503) 2.734 7.939 ( 2.311 -2.608 -0.347) 3.502 10.749 ( -3.492 -0.446 0.062) 3.521 11.250 ( 4.480 -1.471 0.151) 4.718 11.692 ( -1.992 -11.663 -0.266) 11.835 14.853 ( -1.673 9.163 -0.338) 9.320 15.895 ( -4.924 4.001 1.808) 6.597 16.431 ( 5.531 -7.950 -2.115) 9.913======================= Grid point 70 (27/213) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.049 ( 5.570 9.647 0.000) 11.140 3.177 ( 6.992 12.111 0.000) 13.985 3.547 ( -2.512 -4.350 0.000) 5.023 4.615 ( 5.211 9.027 0.000) 10.423 5.118 ( 3.516 6.089 0.000) 7.031 5.377 ( 3.454 5.982 0.000) 6.907 7.104 ( 4.462 7.728 0.000) 8.924 7.715 ( -1.697 -2.939 0.000) 3.394 7.878 ( 0.457 0.791 0.000) 0.913 10.914 ( -4.124 -7.143 0.000) 8.248 11.152 ( -0.241 -0.418 0.000) 0.483 11.913 ( -9.349 -16.192 0.000) 18.697 14.770 ( 5.341 9.251 0.000) 10.682 16.137 ( 1.438 2.491 0.000) 2.877 16.227 ( -3.271 -5.665 0.000) 6.542======================= Grid point 71 (28/213) =======================q-point: ( 0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.206 ( 4.062 6.338 -1.532) 7.682 3.360 ( 0.212 8.238 3.314) 8.882 3.471 ( 0.038 -3.722 -1.972) 4.212 4.744 ( -4.082 15.092 -1.154) 15.677 5.246 ( 6.993 0.595 1.848) 7.257 5.444 ( 2.215 -2.195 -0.409) 3.145 7.237 ( 1.773 7.821 0.001) 8.020 7.647 ( -1.297 -4.713 0.919) 4.974 7.897 ( 1.083 -0.114 -0.267) 1.121 10.792 ( -3.412 -3.333 0.046) 4.770 11.184 ( 2.918 1.453 0.077) 3.260 11.634 ( -5.775 -13.226 -0.146) 14.433 14.937 ( 2.706 9.159 -0.249) 9.553 16.048 ( -8.601 2.981 3.156) 9.635 16.244 ( 7.064 -7.410 -3.255) 10.743======================= Grid point 72 (29/213) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.313 ( -0.181 0.314 0.000) 0.362 3.329 ( -2.575 4.459 -0.000) 5.149 3.487 ( -0.457 0.792 -0.000) 0.915 4.782 ( -9.205 15.944 -0.000) 18.411 5.327 ( 0.718 -1.244 0.000) 1.436 5.436 ( 4.498 -7.791 -0.000) 8.997 7.297 ( -3.727 6.455 -0.000) 7.454 7.605 ( 2.613 -4.526 0.000) 5.226 7.906 ( 0.460 -0.796 -0.000) 0.920 10.745 ( 0.016 -0.027 -0.000) 0.031 11.237 ( -0.138 0.239 -0.000) 0.276 11.498 ( 4.433 -7.677 0.000) 8.865 15.012 ( -3.606 6.246 0.000) 7.212 15.983 ( -2.909 5.038 -0.000) 5.818 16.269 ( 4.742 -8.213 -0.000) 9.484======================= Grid point 88 (30/213) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.306 ( 2.273 3.937 0.000) 4.546 3.382 ( -1.847 -3.199 0.000) 3.694 3.497 ( 1.824 3.159 0.000) 3.648 4.994 ( 4.916 8.514 0.000) 9.831 5.264 ( 1.206 2.088 0.000) 2.411 5.355 ( -3.478 -6.025 0.000) 6.957 7.381 ( 3.677 6.369 0.000) 7.354 7.539 ( -3.231 -5.596 0.000) 6.462 7.900 ( 0.115 0.200 0.000) 0.231 10.745 ( -0.740 -1.281 0.000) 1.479 11.247 ( 2.698 4.673 0.000) 5.396 11.413 ( -5.046 -8.739 0.000) 10.091 15.077 ( 2.387 4.135 0.000) 4.775 16.078 ( -0.067 -0.116 0.000) 0.134 16.140 ( -1.324 -2.293 0.000) 2.647======================= Grid point 271 (31/213) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( 0.000 0.000 30.554) 30.554 0.612 ( 0.000 -0.000 30.554) 30.554 0.979 ( -0.000 0.000 49.377) 49.377 3.144 ( 0.000 0.000 -4.676) 4.676 3.144 ( 0.000 -0.000 -4.676) 4.676 5.532 ( 0.000 0.000 -11.663) 11.663 6.248 ( -0.000 0.000 -0.311) 0.311 6.248 ( 0.000 -0.000 -0.311) 0.311 10.173 ( -0.000 -0.000 1.249) 1.249 12.019 ( 0.000 0.000 2.533) 2.533 12.019 ( 0.000 -0.000 2.533) 2.533 14.216 ( 0.000 0.000 -1.787) 1.787 14.216 ( 0.000 -0.000 -1.787) 1.787 14.808 ( -0.000 0.000 -0.317) 0.317 16.834 ( -0.000 -0.000 0.507) 0.507======================= Grid point 272 (32/213) =======================q-point: ( 0.06 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( 11.800 6.813 23.853) 27.470 0.759 ( 17.438 10.068 18.282) 27.197 1.449 ( 30.717 17.734 34.271) 49.320 3.171 ( 2.043 1.179 -4.217) 4.832 3.245 ( 8.926 5.154 -4.638) 11.303 5.485 ( -3.467 -2.001 -10.976) 11.683 6.270 ( 1.800 1.039 -0.246) 2.093 6.609 ( 22.206 12.821 -20.034) 32.540 8.895 ( -48.411 -27.950 43.940) 71.103 12.006 ( -2.034 -1.174 3.027) 3.831 12.767 ( 9.239 5.334 -18.940) 21.738 14.195 ( -0.921 -0.532 -2.367) 2.595 14.270 ( 6.985 4.033 -11.968) 14.432 14.920 ( 9.195 5.309 4.141) 11.396 16.421 ( -20.080 -11.593 18.950) 29.945======================= Grid point 273 (33/213) =======================q-point: ( 0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 16.706 9.645 15.192) 24.554 1.268 ( 24.223 13.985 5.071) 28.427 2.195 ( 33.299 19.225 20.061) 43.369 3.236 ( 3.658 2.112 -3.411) 5.429 3.533 ( 15.844 9.148 -3.591) 18.645 5.385 ( -5.067 -2.925 -8.121) 10.009 6.330 ( 3.471 2.004 -0.257) 4.016 7.061 ( 17.056 9.847 -20.261) 28.256 8.223 ( -16.149 -9.324 23.899) 30.313 11.921 ( -5.565 -3.213 2.848) 7.029 12.537 ( -19.619 -11.327 1.560) 22.708 14.181 ( -0.114 -0.066 -2.481) 2.485 14.251 ( -10.384 -5.995 -13.293) 17.902 15.230 ( 15.439 8.914 13.476) 22.348 16.177 ( -2.503 -1.445 1.754) 3.381======================= Grid point 274 (34/213) =======================q-point: ( 0.19 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 17.794 10.273 9.209) 22.516 1.801 ( 21.912 12.651 2.188) 25.396 2.915 ( 28.784 16.619 6.104) 33.793 3.335 ( 4.889 2.823 -2.172) 6.049 3.948 ( 20.231 11.680 -0.729) 23.372 5.271 ( -4.522 -2.611 -2.467) 5.775 6.427 ( 4.955 2.861 -0.344) 5.731 7.395 ( 12.415 7.168 -12.495) 19.017 8.005 ( -4.705 -2.717 9.239) 10.718 11.750 ( -9.405 -5.430 2.145) 11.070 12.065 ( -20.156 -11.637 5.883) 24.006 13.891 ( -19.326 -11.158 -6.626) 23.279 14.197 ( 1.623 0.937 -2.131) 2.838 15.526 ( 10.105 5.834 16.147) 19.922 16.218 ( 4.443 2.565 -11.296) 12.407======================= Grid point 275 (35/213) =======================q-point: ( 0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( 16.873 9.741 4.580) 20.014 2.255 ( 17.898 10.334 0.990) 20.691 3.454 ( 5.460 3.152 -0.549) 6.329 3.460 ( 18.160 10.484 -6.615) 21.988 4.438 ( 22.186 12.809 2.791) 25.770 5.207 ( -0.382 -0.220 5.191) 5.209 6.552 ( 5.895 3.403 -0.488) 6.824 7.631 ( 8.293 4.788 -5.412) 10.999 7.960 ( 0.090 0.052 2.273) 2.275 11.499 ( -12.349 -7.130 1.363) 14.324 11.659 ( -14.890 -8.596 4.681) 17.819 13.418 ( -21.540 -12.436 -3.749) 25.153 14.256 ( 3.436 1.984 -1.554) 4.261 15.698 ( 5.337 3.081 13.748) 15.066 16.329 ( 4.766 2.752 -13.792) 14.849======================= Grid point 276 (36/213) =======================q-point: ( 0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( 14.462 8.350 0.635) 16.711 2.619 ( 14.174 8.183 -0.913) 16.392 3.577 ( 5.130 2.962 1.204) 6.045 3.730 ( 5.843 3.373 -11.297) 13.158 4.910 ( 17.596 10.159 1.748) 20.393 5.286 ( 8.007 4.623 12.137) 15.258 6.689 ( 5.895 3.403 -0.673) 6.840 7.776 ( 4.506 2.601 -0.521) 5.229 7.984 ( 1.502 0.867 0.080) 1.736 11.204 ( -13.120 -7.575 0.918) 15.177 11.401 ( -7.566 -4.368 1.855) 8.931 12.927 ( -21.230 -12.257 -2.593) 24.651 14.347 ( 4.373 2.525 -1.008) 5.149 15.782 ( 2.230 1.288 10.328) 10.644 16.426 ( 3.806 2.198 -12.571) 13.317======================= Grid point 277 (37/213) =======================q-point: ( 0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 10.869 6.275 -2.517) 12.800 2.912 ( 11.748 6.783 -3.298) 13.961 3.680 ( 3.759 2.170 2.677) 5.100 3.761 ( -2.228 -1.286 -7.818) 8.231 5.200 ( 8.682 5.013 0.710) 10.051 5.552 ( 13.046 7.532 11.994) 19.256 6.812 ( 4.731 2.731 -0.912) 5.539 7.836 ( 0.667 0.385 4.154) 4.225 8.019 ( 1.530 0.883 -2.209) 2.828 10.922 ( -11.066 -6.389 0.908) 12.810 11.314 ( -0.274 -0.158 -0.515) 0.605 12.464 ( -19.019 -10.981 -2.253) 22.076 14.445 ( 4.011 2.316 -0.588) 4.669 15.807 ( 0.059 0.034 7.250) 7.251 16.509 ( 3.583 2.068 -10.007) 10.829======================= Grid point 278 (38/213) =======================q-point: ( 0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( 6.380 3.683 -4.399) 8.580 3.167 ( 10.856 6.268 -5.387) 13.644 3.660 ( -6.176 -3.566 -2.612) 7.595 3.741 ( 1.418 0.819 3.421) 3.792 5.343 ( 4.032 2.328 0.919) 4.745 5.791 ( 6.971 4.025 8.551) 11.744 6.896 ( 2.514 1.452 -1.213) 3.146 7.809 ( -2.706 -1.562 6.714) 7.406 8.050 ( 1.041 0.601 -4.675) 4.827 10.720 ( -6.352 -3.667 1.126) 7.421 11.370 ( 4.400 2.540 -1.653) 5.343 12.082 ( -13.750 -7.939 -2.225) 16.033 14.521 ( 2.480 1.432 -0.265) 2.876 15.791 ( -1.283 -0.740 4.632) 4.863 16.595 ( 3.960 2.286 -6.564) 7.999======================= Grid point 279 (39/213) =======================q-point: (-0.50 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( 1.211 0.699 -4.515) 4.727 3.387 ( 4.176 2.411 -8.902) 10.124 3.519 ( -1.615 -0.932 3.416) 3.892 3.741 ( -1.404 -0.811 3.032) 3.438 5.382 ( -0.754 -0.435 0.493) 1.001 5.847 ( -2.312 -1.335 6.141) 6.696 6.922 ( -0.271 -0.156 -1.503) 1.535 7.728 ( -4.036 -2.330 4.767) 6.667 8.057 ( -0.605 -0.349 -5.655) 5.698 10.645 ( -0.032 -0.018 1.239) 1.239 11.440 ( -0.551 -0.318 -2.235) 2.324 11.910 ( 0.873 0.504 -1.729) 2.001 14.553 ( 0.278 0.161 0.005) 0.321 15.755 ( -1.815 -1.048 2.635) 3.367 16.688 ( 4.175 2.410 -2.714) 5.532======================= Grid point 281 (40/213) =======================q-point: (-0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.785 ( -4.521 -2.610 -2.680) 5.869 3.226 ( -11.142 -6.433 -2.024) 13.024 3.681 ( -3.712 -2.143 1.324) 4.486 3.721 ( 12.092 6.981 -1.899) 14.091 5.305 ( -6.018 -3.474 -0.453) 6.963 5.685 ( -11.664 -6.734 4.959) 14.353 6.885 ( -2.923 -1.688 -1.653) 3.759 7.640 ( -3.406 -1.966 0.133) 3.935 8.019 ( -2.789 -1.610 -6.336) 7.108 10.717 ( 6.158 3.555 1.019) 7.183 11.361 ( -4.086 -2.359 -1.938) 5.101 12.100 ( 13.407 7.741 -1.533) 15.557 14.534 ( -1.901 -1.097 0.253) 2.209 15.712 ( -1.865 -1.077 1.410) 2.575 16.779 ( 3.623 2.092 1.024) 4.307======================= Grid point 282 (41/213) =======================q-point: (-0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.615 ( -10.370 -5.987 0.518) 11.985 2.942 ( -13.636 -7.872 -0.960) 15.774 3.582 ( -4.715 -2.722 -1.161) 5.567 3.993 ( 10.930 6.311 -2.161) 12.805 5.105 ( -11.637 -6.719 -2.554) 13.678 5.338 ( -17.813 -10.285 5.486) 21.288 6.794 ( -4.872 -2.813 -1.602) 5.849 7.584 ( -1.352 -0.781 -4.562) 4.822 7.929 ( -5.049 -2.915 -7.462) 9.469 10.912 ( 10.551 6.091 0.484) 12.192 11.314 ( 0.578 0.333 -0.428) 0.793 12.455 ( 16.980 9.804 -2.567) 19.775 14.472 ( -3.367 -1.944 0.490) 3.919 15.669 ( -2.057 -1.188 1.064) 2.603 16.846 ( 2.058 1.188 4.199) 4.824======================= Grid point 283 (42/213) =======================q-point: (-0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( -15.143 -8.743 3.921) 17.920 2.605 ( -15.977 -9.224 -0.536) 18.456 3.473 ( -4.708 -2.718 -3.225) 6.321 4.128 ( -3.267 -1.886 -1.718) 4.146 4.780 ( -15.721 -9.077 -0.441) 18.159 4.970 ( -10.989 -6.345 1.985) 12.844 6.670 ( -5.834 -3.368 -1.394) 6.879 7.583 ( 1.202 0.694 -6.562) 6.707 7.790 ( -7.097 -4.097 -9.518) 12.560 11.178 ( 12.289 7.095 -0.132) 14.191 11.404 ( 7.536 4.351 2.036) 8.937 12.855 ( 17.824 10.291 -5.093) 21.202 14.389 ( -3.680 -2.125 0.689) 4.305 15.612 ( -3.121 -1.802 1.644) 3.962 16.866 ( -0.414 -0.239 6.532) 6.549======================= Grid point 284 (43/213) =======================q-point: (-0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( -17.866 -10.315 7.183) 21.844 2.211 ( -18.734 -10.816 -0.026) 21.632 3.370 ( -4.319 -2.494 -4.335) 6.608 3.736 ( -27.675 -15.978 2.352) 32.043 4.401 ( -18.186 -10.499 2.480) 21.145 4.953 ( 7.119 4.110 -4.822) 9.530 6.536 ( -5.759 -3.325 -1.116) 6.743 7.573 ( -7.491 -4.325 -10.330) 13.473 7.674 ( 2.416 1.395 -6.267) 6.860 11.453 ( 11.504 6.642 -0.498) 13.293 11.666 ( 15.526 8.964 5.306) 18.697 13.256 ( 17.150 9.901 -9.288) 21.873 14.313 ( -2.878 -1.662 0.750) 3.407 15.515 ( -5.586 -3.225 3.068) 7.142 16.823 ( -3.372 -1.947 8.001) 8.899======================= Grid point 285 (44/213) =======================q-point: (-0.19 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -18.426 -10.638 10.982) 23.944 1.748 ( -21.795 -12.583 0.891) 25.182 3.014 ( -34.118 -19.698 10.039) 40.655 3.278 ( -3.695 -2.134 -4.783) 6.410 3.969 ( -19.081 -11.017 -0.164) 22.034 5.158 ( 9.388 5.420 -7.424) 13.139 6.414 ( -4.805 -2.774 -0.844) 5.612 7.336 ( -12.169 -7.026 -16.603) 21.751 7.814 ( 9.102 5.255 4.448) 11.413 11.690 ( 9.076 5.240 -0.324) 10.485 12.105 ( 22.483 12.980 8.578) 27.341 13.626 ( 14.953 8.633 -15.016) 22.882 14.262 ( -1.560 -0.901 0.516) 1.874 15.348 ( -9.142 -5.278 5.127) 11.736 16.714 ( -5.987 -3.456 8.981) 11.333======================= Grid point 286 (45/213) =======================q-point: (-0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -16.940 -9.780 16.381) 25.514 1.225 ( -23.586 -13.618 4.274) 27.569 2.219 ( -35.018 -20.218 20.548) 45.357 3.204 ( -2.729 -1.576 -4.921) 5.844 3.559 ( -16.212 -9.360 -2.481) 18.884 5.351 ( 7.248 4.184 -9.771) 12.865 6.321 ( -3.302 -1.907 -0.615) 3.862 7.019 ( -15.908 -9.185 -21.707) 28.436 8.123 ( 19.746 11.400 21.780) 31.532 11.863 ( 6.132 3.540 0.446) 7.094 12.640 ( 22.198 12.816 6.944) 26.556 13.916 ( 9.777 5.645 -20.315) 23.241 14.239 ( -0.582 -0.336 -0.087) 0.677 15.110 ( -11.007 -6.355 7.124) 14.571 16.570 ( -5.697 -3.289 11.118) 12.919======================= Grid point 287 (46/213) =======================q-point: (-0.06 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( -16.479 -9.514 18.197) 26.328 0.773 ( -12.265 -7.081 24.387) 28.201 1.451 ( -31.087 -17.948 34.032) 49.465 3.157 ( -1.366 -0.788 -4.888) 5.137 3.259 ( -9.534 -5.505 -3.990) 11.710 5.480 ( 4.064 2.347 -11.215) 12.158 6.265 ( -1.601 -0.924 -0.437) 1.900 6.597 ( -20.908 -12.071 -19.707) 31.164 8.866 ( 50.980 29.434 44.017) 73.504 11.971 ( 3.387 1.955 1.544) 4.204 12.853 ( -14.577 -8.416 -18.300) 24.864 14.079 ( 7.018 4.052 -9.654) 12.604 14.229 ( -0.413 -0.238 -0.939) 1.053 14.903 ( -6.521 -3.765 3.621) 8.356 16.553 ( 7.777 4.490 16.653) 18.920======================= Grid point 289 (47/213) =======================q-point: ( 0.06 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( 8.704 17.210 17.457) 26.013 1.103 ( 14.989 22.565 6.967) 27.971 1.996 ( 18.934 34.078 23.785) 45.668 3.206 ( 2.907 2.629 -4.361) 5.863 3.449 ( 7.287 14.725 -3.416) 16.781 5.404 ( -2.379 -6.122 -9.733) 11.742 6.307 ( 2.050 2.864 -0.362) 3.541 6.934 ( 11.640 17.077 -22.162) 30.303 8.298 ( -10.563 -25.192 28.714) 39.632 11.926 ( -0.771 -6.020 1.681) 6.297 12.717 ( -14.094 -14.034 0.687) 19.901 14.011 ( 1.765 -14.080 -9.948) 17.330 14.313 ( 3.719 -0.634 -8.654) 9.440 15.093 ( 11.452 11.643 8.485) 18.404 16.379 ( -13.293 6.415 10.548) 18.142======================= Grid point 290 (48/213) =======================q-point: ( 0.12 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 12.666 17.550 11.674) 24.591 1.607 ( 18.295 19.257 2.480) 26.677 2.678 ( 23.153 28.081 11.384) 38.134 3.300 ( 3.939 4.374 -3.194) 6.697 3.786 ( 13.922 15.918 -1.640) 21.211 5.291 ( -3.059 -6.456 -5.600) 9.077 6.390 ( 3.531 4.059 -0.312) 5.389 7.274 ( 11.462 10.924 -16.069) 22.559 8.015 ( -3.595 -10.278 12.532) 16.602 11.809 ( -5.057 -7.807 1.586) 9.436 12.269 ( -18.109 -15.879 6.467) 24.938 13.836 ( -1.932 -22.423 -7.283) 23.655 14.287 ( -4.108 1.469 -4.911) 6.569 15.433 ( 12.347 10.931 11.141) 19.901 16.287 ( -6.878 9.374 -1.695) 11.750======================= Grid point 291 (49/213) =======================q-point: ( 0.19 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 13.262 17.139 7.150) 22.820 2.080 ( 16.764 15.031 1.413) 22.560 3.280 ( 18.065 18.485 -1.862) 25.914 3.426 ( 4.669 7.274 -1.832) 8.835 4.225 ( 18.667 15.958 2.051) 24.644 5.194 ( -0.954 -4.895 0.988) 5.084 6.506 ( 4.611 5.133 -0.374) 6.910 7.537 ( 8.968 6.843 -8.593) 14.181 7.928 ( 1.077 -4.545 3.468) 5.817 11.601 ( -8.948 -9.480 1.199) 13.091 11.836 ( -16.186 -11.309 5.886) 20.604 13.502 ( -9.813 -23.324 -4.604) 25.719 14.268 ( -0.876 3.794 -2.499) 4.627 15.688 ( 5.487 9.647 12.743) 16.898 16.305 ( -0.014 4.783 -9.821) 10.924======================= Grid point 292 (50/213) =======================q-point: ( 0.25 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 11.747 16.021 3.336) 20.145 2.472 ( 13.974 11.366 0.105) 18.013 3.532 ( 4.850 4.435 -0.725) 6.611 3.688 ( 7.324 12.214 -10.258) 17.551 4.712 ( 19.269 14.510 3.621) 24.391 5.192 ( 5.047 -1.084 8.437) 9.891 6.643 ( 4.915 5.799 -0.516) 7.619 7.714 ( 5.920 3.427 -3.052) 7.490 7.937 ( 3.134 -2.044 0.279) 3.752 11.338 ( -10.817 -8.534 0.563) 13.789 11.503 ( -11.498 -7.481 3.465) 14.148 13.072 ( -14.428 -20.667 -2.780) 25.358 14.324 ( 2.366 4.470 -1.540) 5.287 15.819 ( -0.174 8.264 11.631) 14.269 16.364 ( 3.749 0.325 -12.267) 12.831======================= Grid point 293 (51/213) =======================q-point: ( 0.31 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 8.722 13.930 -0.002) 16.435 2.788 ( 11.579 8.917 -1.901) 14.738 3.634 ( 3.249 1.676 0.288) 3.667 3.826 ( -1.214 7.436 -9.164) 11.864 5.098 ( 10.915 8.502 0.607) 13.849 5.373 ( 14.166 4.078 12.814) 19.532 6.780 ( 4.120 5.821 -0.723) 7.168 7.811 ( 2.936 0.858 0.962) 3.206 7.976 ( 3.017 -1.424 -0.463) 3.368 11.065 ( -12.221 -6.230 0.451) 13.725 11.319 ( -3.105 -4.089 0.736) 5.187 12.622 ( -15.547 -17.649 -2.015) 23.606 14.423 ( 3.172 5.124 -0.957) 6.102 15.858 ( -2.952 5.595 8.803) 10.840 16.436 ( 5.195 -1.297 -11.010) 12.243======================= Grid point 294 (52/213) =======================q-point: ( 0.38 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( 4.890 10.750 -2.674) 12.108 3.054 ( 10.157 7.714 -3.665) 13.270 3.654 ( -0.328 -3.706 -0.403) 3.742 3.846 ( -4.671 8.872 -2.453) 10.322 5.289 ( 5.613 3.731 0.910) 6.801 5.660 ( 12.409 3.294 9.635) 16.052 6.890 ( 2.180 5.118 -0.999) 5.652 7.828 ( -0.799 -1.140 5.304) 5.484 8.011 ( 2.797 -1.435 -2.968) 4.323 10.823 ( -9.666 -3.732 0.732) 10.388 11.305 ( 3.708 -0.857 -1.005) 3.936 12.210 ( -13.556 -14.073 -1.924) 19.634 14.521 ( 1.886 5.474 -0.573) 5.818 15.839 ( -3.664 2.646 5.821) 7.369 16.517 ( 5.748 -1.143 -8.041) 9.950======================= Grid point 295 (53/213) =======================q-point: ( 0.44 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 0.618 7.310 -4.003) 8.357 3.288 ( 8.986 5.415 -5.094) 11.663 3.562 ( -4.360 -4.575 1.335) 6.459 3.850 ( -5.557 9.117 0.754) 10.704 5.373 ( 1.688 0.599 0.648) 1.905 5.817 ( 4.254 -1.451 6.770) 8.126 6.949 ( -0.584 3.808 -1.305) 4.068 7.772 ( -3.376 -2.122 5.884) 7.108 8.036 ( 1.697 -1.847 -4.536) 5.183 10.681 ( -4.180 -0.357 0.937) 4.299 11.390 ( 5.094 -0.818 -1.636) 5.412 11.919 ( -5.774 -7.987 -1.847) 10.027 14.585 ( -0.690 5.068 -0.266) 5.122 15.795 ( -3.280 0.780 3.380) 4.774 16.608 ( 5.989 -0.859 -4.418) 7.492======================= Grid point 296 (54/213) =======================q-point: (-0.50 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( -4.509 4.089 -3.316) 6.932 3.324 ( -6.703 -5.861 -3.368) 9.520 3.563 ( 6.933 2.320 1.718) 7.510 3.842 ( -5.728 10.916 -0.229) 12.330 5.353 ( -3.070 -2.470 -0.090) 3.942 5.769 ( -5.339 -6.298 5.111) 9.711 6.943 ( -3.498 2.194 -1.512) 4.398 7.686 ( -3.921 -1.812 2.590) 5.036 8.026 ( -0.434 -2.507 -5.167) 5.759 10.679 ( 2.288 3.317 0.880) 4.124 11.381 ( -2.234 -4.978 -1.957) 5.797 11.934 ( 10.677 1.411 -1.260) 10.844 14.593 ( -3.439 3.682 0.043) 5.038 15.749 ( -2.686 0.552 1.594) 3.172 16.700 ( 5.832 -1.269 -0.671) 6.006======================= Grid point 297 (55/213) =======================q-point: (-0.44 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( -10.383 0.828 -0.769) 10.444 3.093 ( -11.928 -6.568 -1.204) 13.669 3.627 ( -1.083 -1.526 0.235) 1.886 3.943 ( 3.749 12.942 -2.082) 13.634 5.216 ( -8.440 -5.561 -1.562) 10.227 5.520 ( -14.080 -9.442 4.945) 17.660 6.876 ( -5.845 0.675 -1.518) 6.076 7.615 ( -2.800 -0.511 -2.219) 3.609 7.970 ( -2.973 -3.040 -5.926) 7.294 10.817 ( 7.786 6.263 0.480) 10.004 11.301 ( -0.687 -3.391 -1.120) 3.636 12.221 ( 17.837 4.173 -1.510) 18.381 14.544 ( -5.240 1.716 0.317) 5.523 15.714 ( -2.712 1.566 0.585) 3.186 16.776 ( 4.997 -2.543 2.727) 6.235======================= Grid point 298 (56/213) =======================q-point: (-0.38 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( -15.906 -2.117 2.499) 16.240 2.797 ( -15.095 -6.539 -0.658) 16.464 3.553 ( -5.395 -0.204 -2.209) 5.833 4.132 ( 3.623 6.751 -2.599) 8.090 4.953 ( -14.009 -8.345 -2.385) 16.479 5.148 ( -16.836 -7.987 5.164) 19.337 6.764 ( -7.217 -0.439 -1.342) 7.354 7.588 ( -0.655 1.165 -5.785) 5.938 7.865 ( -5.611 -3.203 -7.354) 9.789 11.049 ( 10.899 7.300 -0.170) 13.119 11.321 ( 5.173 0.624 0.836) 5.278 12.593 ( 20.374 4.121 -3.001) 21.002 14.458 ( -5.550 0.122 0.443) 5.569 15.682 ( -3.893 2.834 0.553) 4.847 16.814 ( 3.339 -4.539 5.326) 7.753======================= Grid point 299 (57/213) =======================q-point: (-0.31 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( -19.824 -3.964 5.601) 20.978 2.448 ( -18.332 -6.365 -0.174) 19.406 3.454 ( -6.223 0.453 -3.701) 7.255 4.026 ( -18.815 -8.020 -2.554) 20.612 4.616 ( -16.810 -7.056 4.124) 18.691 4.922 ( -1.447 1.245 -1.942) 2.723 6.629 ( -7.497 -1.003 -1.067) 7.638 7.610 ( 0.527 1.641 -6.055) 6.296 7.723 ( -6.928 -1.856 -9.476) 11.884 11.311 ( 11.906 5.624 -0.527) 13.178 11.502 ( 12.281 5.868 3.537) 14.063 12.985 ( 21.016 3.055 -5.842) 22.025 14.368 ( -4.512 -0.299 0.264) 4.530 15.627 ( -6.511 3.541 1.571) 7.576 16.795 ( 0.988 -7.007 6.851) 9.849======================= Grid point 300 (58/213) =======================q-point: (-0.25 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -21.638 -4.446 8.727) 23.752 2.042 ( -22.159 -5.767 0.449) 22.902 3.341 ( -9.256 -2.409 -3.111) 10.058 3.458 ( -29.886 -9.291 2.352) 31.385 4.219 ( -20.502 -7.309 1.972) 21.855 5.050 ( 8.634 5.133 -4.961) 11.203 6.495 ( -6.759 -0.987 -0.783) 6.876 7.492 ( -11.026 -2.867 -12.554) 16.953 7.740 ( 4.937 4.674 -1.434) 6.948 11.564 ( 11.528 4.372 -0.333) 12.333 11.844 ( 19.290 8.149 6.714) 21.990 13.364 ( 20.213 1.863 -9.653) 22.477 14.307 ( -2.715 0.694 -0.561) 2.858 15.518 ( -10.569 3.502 3.537) 11.682 16.707 ( -1.598 -9.748 7.299) 12.282======================= Grid point 301 (59/213) =======================q-point: (-0.19 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -21.469 -3.684 12.530) 25.130 1.580 ( -26.067 -3.784 1.798) 26.402 2.712 ( -37.647 -9.410 12.652) 40.816 3.274 ( -5.512 1.155 -4.390) 7.141 3.801 ( -20.262 -5.321 -1.123) 20.979 5.249 ( 8.738 3.570 -7.507) 12.060 6.384 ( -5.297 -0.476 -0.546) 5.346 7.243 ( -15.307 -1.734 -17.780) 23.525 7.931 ( 11.789 5.909 10.444) 16.822 11.776 ( 8.639 3.381 0.261) 9.281 12.303 ( 25.220 5.221 8.582) 27.147 13.708 ( 17.385 2.669 -12.686) 21.686 14.292 ( -0.937 2.616 -2.929) 4.037 15.331 ( -15.029 3.330 6.259) 16.617 16.552 ( -3.227 -12.708 7.324) 15.018======================= Grid point 306 (60/213) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 10.823 20.363 9.021) 24.762 1.996 ( 12.596 19.531 1.105) 23.267 3.242 ( 11.368 25.672 1.013) 28.094 3.418 ( 6.461 9.790 -2.689) 12.034 4.140 ( 11.198 19.381 1.953) 22.469 5.141 ( -0.503 -8.398 -2.764) 8.855 6.490 ( 3.804 6.004 -0.401) 7.119 7.477 ( 6.968 9.381 -11.407) 16.330 7.842 ( 1.886 -7.123 2.158) 7.678 11.619 ( -5.274 -11.258 0.389) 12.438 11.934 ( -10.223 -17.177 6.880) 21.140 13.405 ( -7.409 -20.816 -6.862) 23.136 14.311 ( -0.188 1.560 -2.624) 3.059 15.626 ( 11.556 8.064 5.656) 15.184 16.469 ( -9.865 8.196 1.773) 12.947======================= Grid point 307 (61/213) =======================q-point: ( 0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 10.817 19.777 6.146) 23.365 2.377 ( 11.948 14.863 0.552) 19.077 3.494 ( 5.013 5.639 -2.822) 8.055 3.733 ( 6.479 20.384 -8.430) 22.990 4.560 ( 16.180 17.389 5.705) 24.428 5.092 ( 3.193 -4.947 3.456) 6.827 6.627 ( 4.561 7.079 -0.379) 8.430 7.653 ( 5.437 4.483 -5.643) 9.028 7.845 ( 4.168 -3.263 -1.272) 5.444 11.394 ( -7.259 -10.700 0.309) 12.933 11.617 ( -10.770 -11.037 4.140) 15.967 13.047 ( -9.429 -22.176 -3.399) 24.335 14.343 ( 0.988 4.325 -1.868) 4.814 15.861 ( 6.900 7.012 6.564) 11.826 16.386 ( -6.261 3.481 -3.924) 8.169======================= Grid point 308 (62/213) =======================q-point: ( 0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 8.299 18.247 3.563) 20.360 2.698 ( 10.573 11.519 -0.683) 15.651 3.599 ( 2.866 1.781 -1.974) 3.909 3.952 ( -0.583 14.668 -10.689) 18.159 4.995 ( 14.248 13.632 3.391) 20.008 5.170 ( 10.287 -0.998 9.583) 14.095 6.778 ( 4.221 7.695 -0.483) 8.790 7.756 ( 4.095 0.491 -2.880) 5.031 7.898 ( 3.960 -1.335 0.185) 4.183 11.178 ( -7.973 -7.506 -0.644) 10.969 11.356 ( -7.891 -7.425 2.286) 11.074 12.654 ( -11.308 -20.907 -1.619) 23.824 14.431 ( 2.747 6.420 -1.288) 7.101 15.987 ( -1.342 7.964 8.741) 11.901 16.340 ( 1.059 -2.539 -9.079) 9.486======================= Grid point 309 (63/213) =======================q-point: ( 0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( 4.309 14.624 0.499) 15.254 2.976 ( 9.387 10.496 -1.330) 14.143 3.622 ( 0.356 -2.525 -1.183) 2.811 4.040 ( -4.648 13.699 -6.375) 15.809 5.233 ( 5.733 4.928 0.956) 7.620 5.443 ( 16.022 2.899 9.758) 18.983 6.914 ( 2.629 7.626 -0.691) 8.096 7.806 ( 2.072 -1.522 0.477) 2.615 7.942 ( 2.920 -1.525 0.666) 3.361 10.956 ( -10.097 -5.018 -0.239) 11.278 11.242 ( 0.677 -3.520 0.131) 3.587 12.263 ( -11.384 -18.058 -1.093) 21.374 14.551 ( 2.633 7.897 -0.924) 8.375 15.975 ( -7.048 5.707 7.136) 11.540 16.380 ( 6.852 -4.150 -8.694) 11.821======================= Grid point 310 (64/213) =======================q-point: ( 0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.931 ( 0.786 10.897 -2.236) 11.152 3.218 ( 7.166 8.747 -1.080) 11.358 3.570 ( -1.970 -4.450 0.503) 4.892 4.078 ( -6.884 14.310 -2.923) 16.146 5.342 ( 3.138 1.557 0.788) 3.591 5.678 ( 9.880 -1.544 6.564) 11.962 7.009 ( -0.070 6.823 -0.971) 6.892 7.791 ( -1.185 -2.665 4.276) 5.176 7.974 ( 2.727 -1.978 -1.515) 3.694 10.769 ( -6.967 -1.862 0.153) 7.213 11.280 ( 5.575 -1.565 -0.766) 5.841 11.932 ( -8.010 -13.636 -1.217) 15.862 14.660 ( 0.240 8.451 -0.688) 8.482 15.893 ( -6.546 2.503 4.098) 8.118 16.469 ( 7.624 -3.569 -5.437) 10.021======================= Grid point 311 (65/213) =======================q-point: ( 0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.007 ( -3.348 8.498 -2.939) 9.595 3.342 ( -0.554 -0.758 -1.906) 2.124 3.516 ( 1.162 0.608 3.194) 3.453 4.093 ( -8.019 15.189 -1.965) 17.288 5.364 ( -0.666 -1.534 -0.072) 1.674 5.739 ( 1.621 -6.161 4.746) 7.945 7.041 ( -3.331 5.362 -1.188) 6.423 7.727 ( -2.849 -2.452 3.826) 5.364 7.989 ( 1.467 -2.512 -2.563) 3.877 10.698 ( -1.165 1.795 0.216) 2.151 11.336 ( 1.911 -4.299 -1.073) 4.826 11.784 ( 4.123 -5.531 -0.999) 6.970 14.712 ( -3.580 7.360 -0.358) 8.193 15.818 ( -4.280 1.732 1.749) 4.937 16.561 ( 7.277 -3.914 -2.020) 8.506======================= Grid point 313 (66/213) =======================q-point: (-0.50 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( -9.149 6.009 -1.116) 11.003 3.211 ( -8.503 -5.237 -1.319) 10.074 3.588 ( 3.421 0.470 2.323) 4.162 4.123 ( -6.067 16.195 -2.216) 17.435 5.283 ( -5.364 -4.667 -1.257) 7.220 5.615 ( -7.218 -8.591 4.286) 12.011 7.002 ( -6.250 3.520 -1.198) 7.272 7.659 ( -2.797 -0.905 0.230) 2.949 7.970 ( -0.647 -2.793 -3.096) 4.220 10.765 ( 4.909 4.960 -0.022) 6.978 11.272 ( -1.256 -5.427 -1.087) 5.675 11.949 ( 15.782 -0.074 -0.525) 15.791 14.681 ( -6.831 4.565 0.066) 8.217 15.785 ( -2.653 3.421 -0.142) 4.332 16.635 ( 6.592 -5.347 1.323) 8.591======================= Grid point 314 (67/213) =======================q-point: (-0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( -15.150 2.764 1.903) 15.517 2.980 ( -12.532 -4.626 -0.953) 13.393 3.609 ( -0.776 -0.561 -0.518) 1.089 4.205 ( -1.983 12.603 -2.911) 13.086 5.087 ( -10.540 -7.064 -1.791) 12.814 5.345 ( -14.121 -7.322 4.890) 16.641 6.903 ( -8.133 1.820 -1.042) 8.399 7.622 ( -1.642 1.186 -3.816) 4.320 7.912 ( -3.112 -2.463 -3.927) 5.583 10.947 ( 9.107 6.264 -0.578) 11.068 11.241 ( 2.961 -2.280 0.078) 3.738 12.265 ( 20.084 0.543 -0.984) 20.115 14.581 ( -7.846 1.594 0.234) 8.010 15.786 ( -2.996 5.883 -1.119) 6.696 16.676 ( 5.440 -7.558 4.020) 10.143======================= Grid point 315 (68/213) =======================q-point: (-0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -19.774 0.165 4.533) 20.288 2.695 ( -15.981 -3.554 -0.332) 16.375 3.562 ( -4.583 0.704 -2.717) 5.374 4.212 ( -8.758 -0.134 -7.107) 11.280 4.825 ( -12.980 -2.675 4.990) 14.161 5.042 ( -12.613 -2.701 1.870) 13.034 6.768 ( -8.846 0.637 -0.807) 8.905 7.627 ( -0.117 2.710 -5.824) 6.425 7.819 ( -5.498 -1.107 -5.392) 7.780 11.167 ( 10.183 3.764 -1.040) 10.906 11.354 ( 10.188 2.883 2.173) 10.809 12.629 ( 21.805 0.196 -2.509) 21.949 14.461 ( -6.671 -0.128 -0.093) 6.673 15.785 ( -5.189 7.456 -0.650) 9.107 16.668 ( 3.637 -10.009 5.337) 11.912======================= Grid point 316 (69/213) =======================q-point: (-0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( -22.441 -1.116 6.803) 23.476 2.365 ( -19.471 -1.809 0.331) 19.558 3.472 ( -6.915 1.008 -3.410) 7.776 3.858 ( -24.627 -7.902 -6.114) 26.577 4.523 ( -20.379 -1.748 6.432) 21.441 4.990 ( 3.448 4.831 -0.745) 5.982 6.622 ( -8.432 0.118 -0.569) 8.452 7.626 ( -5.160 0.396 -7.021) 8.722 7.748 ( -1.153 4.003 -4.859) 6.400 11.384 ( 12.465 1.958 -0.143) 12.619 11.614 ( 15.043 4.040 4.117) 16.111 13.009 ( 22.124 0.697 -4.811) 22.652 14.363 ( -4.139 -0.534 -1.021) 4.296 15.743 ( -8.704 7.425 1.569) 11.548 16.600 ( 1.088 -11.974 4.655) 12.893======================= Grid point 324 (70/213) =======================q-point: ( 0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( 10.001 18.627 5.399) 21.821 2.661 ( 8.198 13.874 -0.217) 16.116 3.575 ( 2.428 2.609 -2.794) 4.529 4.118 ( 0.725 17.304 -11.444) 20.759 4.872 ( 13.806 11.752 10.323) 20.863 5.043 ( 5.155 2.900 1.387) 6.075 6.779 ( 4.915 8.019 -0.432) 9.415 7.689 ( 3.396 -0.838 -5.190) 6.259 7.831 ( 3.773 1.904 -1.961) 4.659 11.201 ( -4.714 -8.678 -0.867) 9.913 11.397 ( -6.165 -11.001 2.394) 12.836 12.633 ( -10.631 -19.881 -1.774) 22.615 14.449 ( 2.692 6.502 -0.912) 7.096 15.948 ( 9.777 1.716 0.288) 9.931 16.446 ( -11.195 2.637 1.989) 11.672======================= Grid point 325 (71/213) =======================q-point: ( 0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 5.599 14.354 2.484) 15.606 2.939 ( 9.132 13.355 0.719) 16.195 3.598 ( -0.159 -1.583 -1.890) 2.471 4.257 ( -2.711 15.699 -9.123) 18.358 5.154 ( 10.537 -0.321 6.458) 12.363 5.237 ( 10.010 10.352 3.920) 14.924 6.939 ( 4.059 8.416 -0.416) 9.353 7.734 ( 3.475 -2.257 -3.681) 5.543 7.895 ( 2.157 0.684 1.926) 2.972 11.039 ( -6.133 -6.859 -1.428) 9.311 11.221 ( -3.204 -5.702 1.201) 6.650 12.261 ( -10.265 -18.745 -0.355) 21.375 14.581 ( 3.594 8.740 -0.778) 9.483 16.103 ( 4.869 2.706 2.358) 6.049 16.285 ( -6.860 -2.036 -2.526) 7.588======================= Grid point 326 (72/213) =======================q-point: ( 0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.009 ( 2.539 10.050 -1.100) 10.424 3.213 ( 6.690 12.951 2.997) 14.882 3.552 ( -1.450 -4.226 -0.396) 4.485 4.345 ( -5.623 16.735 -5.849) 18.598 5.291 ( 5.344 1.073 2.160) 5.863 5.478 ( 10.779 0.338 4.661) 11.748 7.073 ( 1.717 8.309 -0.521) 8.501 7.751 ( 1.756 -3.891 -0.322) 4.281 7.926 ( 1.473 -0.116 2.681) 3.061 10.862 ( -6.913 -4.574 -0.859) 8.334 11.189 ( 2.903 -1.632 -0.022) 3.330 11.924 ( -8.487 -15.999 -0.150) 18.111 14.730 ( 2.495 9.962 -0.785) 10.299 16.066 ( -10.073 3.236 4.672) 11.565 16.283 ( 8.767 -5.288 -5.666) 11.702======================= Grid point 327 (73/213) =======================q-point: ( 0.38 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.123 ( 0.189 8.375 -2.884) 8.859 3.376 ( -1.292 5.537 3.723) 6.796 3.498 ( 1.132 -1.477 1.644) 2.483 4.397 ( -7.990 17.510 -3.943) 19.647 5.350 ( 1.110 -0.624 0.220) 1.292 5.600 ( 6.829 -6.178 3.489) 9.848 7.152 ( -1.877 7.465 -0.683) 7.728 7.720 ( -0.103 -4.535 2.319) 5.094 7.946 ( 1.235 -0.711 1.431) 2.019 10.743 ( -3.269 -0.932 -0.670) 3.465 11.250 ( 4.240 -1.224 -0.159) 4.416 11.686 ( -2.147 -11.077 -0.382) 11.289 14.841 ( -1.304 9.356 -0.740) 9.475 15.935 ( -7.292 1.928 1.975) 7.797 16.381 ( 8.270 -5.302 -2.692) 10.186======================= Grid point 328 (74/213) =======================q-point: (-0.56 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.172 ( -4.526 8.028 -2.409) 9.526 3.290 ( -6.618 -3.368 0.939) 7.485 3.550 ( 1.921 1.478 4.618) 5.216 4.424 ( -8.882 17.351 -3.032) 19.727 5.311 ( -3.065 -3.919 -1.204) 5.119 5.591 ( 0.447 -8.045 3.071) 8.623 7.151 ( -5.736 5.433 -0.680) 7.930 7.675 ( -0.558 -2.738 1.383) 3.118 7.949 ( 0.257 -1.374 0.590) 1.517 10.741 ( 2.245 2.294 -0.757) 3.298 11.244 ( -1.375 -4.333 -0.431) 4.566 11.696 ( 11.349 -3.559 0.058) 11.894 14.853 ( -6.506 6.189 -0.332) 8.986 15.873 ( -3.325 4.156 -0.347) 5.334 16.455 ( 7.256 -6.837 0.189) 9.971======================= Grid point 329 (75/213) =======================q-point: (-0.50 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( -12.567 3.110 2.995) 13.288 3.132 ( -9.092 -0.808 -2.511) 9.467 3.582 ( 2.032 -1.062 2.243) 3.207 4.432 ( -8.323 13.436 -3.338) 16.154 5.174 ( -6.968 -5.522 -1.083) 8.957 5.464 ( -6.997 -5.886 3.466) 9.779 7.069 ( -8.299 2.900 -0.573) 8.810 7.653 ( -0.592 0.403 -1.729) 1.871 7.927 ( -1.180 -1.434 -0.003) 1.857 10.857 ( 7.275 3.826 -1.048) 8.286 11.185 ( 0.150 -3.133 -0.204) 3.144 11.934 ( 17.850 -1.094 0.289) 17.886 14.752 ( -9.519 2.257 0.018) 9.783 15.893 ( -1.690 7.558 -2.353) 8.094 16.491 ( 6.189 -9.109 2.918) 11.392======================= Grid point 330 (76/213) =======================q-point: (-0.44 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.850 ( -16.817 0.410 4.008) 17.293 2.924 ( -14.119 -0.556 -0.696) 14.147 3.598 ( 0.418 -0.485 -1.327) 1.473 4.368 ( -9.305 1.404 -7.547) 12.063 5.006 ( -8.827 1.597 4.231) 9.918 5.246 ( -12.988 -2.818 3.181) 13.665 6.935 ( -9.402 1.082 -0.511) 9.478 7.662 ( -0.349 2.907 -4.484) 5.355 7.883 ( -2.863 -0.405 -0.781) 2.995 11.035 ( 8.961 2.292 -1.555) 9.380 11.220 ( 6.523 -0.042 1.132) 6.621 12.260 ( 20.828 -0.456 -0.353) 20.836 14.596 ( -9.251 -0.130 -0.195) 9.254 15.941 ( -3.164 9.313 -2.683) 10.195 16.486 ( 5.011 -11.191 4.182) 12.955======================= Grid point 341 (77/213) =======================q-point: ( 0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.055 ( 2.976 9.753 0.066) 10.197 3.199 ( 9.769 11.207 2.697) 15.109 3.555 ( -2.610 -2.118 0.751) 3.444 4.543 ( 2.430 12.461 -6.644) 14.330 5.160 ( 7.529 1.388 3.410) 8.381 5.398 ( 2.663 5.747 2.220) 6.712 7.101 ( 4.617 7.816 -0.224) 9.080 7.683 ( 1.603 -2.689 -2.279) 3.872 7.914 ( 0.651 1.116 2.654) 2.952 10.899 ( -3.955 -7.170 -1.490) 8.323 11.155 ( -0.335 -0.770 0.261) 0.880 11.919 ( -9.446 -15.822 0.541) 18.435 14.766 ( 4.733 9.586 -0.383) 10.698 16.074 ( 9.342 -4.296 -3.976) 11.024 16.287 ( -12.154 1.259 3.678) 12.761======================= Grid point 342 (78/213) =======================q-point: ( 0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( 1.723 7.245 -1.577) 7.613 3.430 ( 6.536 4.136 2.395) 8.097 3.482 ( -4.066 1.354 4.533) 6.238 4.679 ( -3.535 16.376 -5.296) 17.570 5.286 ( 6.628 -1.192 1.918) 7.002 5.448 ( 2.177 -3.461 0.873) 4.181 7.237 ( 1.614 8.106 -0.042) 8.265 7.659 ( 0.449 -5.294 0.279) 5.320 7.933 ( 0.557 0.674 3.771) 3.871 10.779 ( -3.250 -3.637 -1.415) 5.078 11.186 ( 3.042 1.563 0.152) 3.423 11.638 ( -6.177 -12.899 0.517) 14.311 14.927 ( 2.397 9.356 -0.708) 9.684 16.091 ( -7.854 -0.880 0.269) 7.907 16.192 ( 6.295 -3.271 -0.969) 7.161======================= Grid point 343 (79/213) =======================q-point: ( 0.38 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.261 ( 0.509 5.364 -2.728) 6.039 3.377 ( -4.705 -2.280 1.959) 5.583 3.555 ( 0.428 3.929 7.077) 8.106 4.743 ( -8.040 16.602 -3.871) 18.848 5.318 ( -1.741 -2.837 -0.874) 3.441 5.450 ( 6.075 -8.057 1.310) 10.176 7.297 ( -3.897 6.919 0.004) 7.941 7.619 ( 1.985 -5.321 1.246) 5.814 7.943 ( -0.045 0.168 3.599) 3.603 10.730 ( 0.144 -0.369 -1.454) 1.507 11.240 ( -0.467 0.318 0.292) 0.636 11.502 ( 4.580 -7.246 0.407) 8.582 15.004 ( -3.250 6.348 -0.753) 7.171 15.982 ( -5.061 3.290 -0.026) 6.036 16.263 ( 6.965 -6.450 -0.509) 9.506======================= Grid point 345 (80/213) =======================q-point: (-0.56 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.223 ( -6.583 -2.693 -0.589) 7.137 3.323 ( -5.312 6.583 0.084) 8.459 3.549 ( -0.810 -1.789 6.113) 6.421 4.717 ( -10.828 9.358 -3.989) 14.857 5.223 ( -3.979 -3.011 -0.435) 5.009 5.463 ( 1.339 -4.102 1.516) 4.574 7.237 ( -7.950 2.666 0.043) 8.386 7.634 ( 2.835 -0.797 -0.111) 2.947 7.934 ( -0.791 -0.282 3.117) 3.228 10.777 ( 4.687 1.129 -1.478) 5.042 11.183 ( -2.867 -1.578 0.007) 3.272 11.643 ( 14.375 -1.591 0.763) 14.483 14.935 ( -8.940 1.905 -0.402) 9.150 15.991 ( -0.820 7.654 -2.394) 8.061 16.297 ( 5.709 -8.817 1.913) 10.677======================= Grid point 359 (81/213) =======================q-point: ( 0.31 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.297 ( 1.093 4.720 -0.883) 4.924 3.377 ( 0.292 -3.440 -0.237) 3.460 3.589 ( 1.167 3.258 8.762) 9.421 4.952 ( 4.271 9.341 -4.229) 11.108 5.265 ( 3.153 0.248 0.091) 3.164 5.352 ( -4.993 -5.554 -0.350) 7.477 7.387 ( 3.715 6.665 0.603) 7.654 7.548 ( -2.811 -5.534 0.844) 6.264 7.945 ( 0.224 0.400 4.440) 4.464 10.727 ( -0.781 -1.389 -1.778) 2.387 11.252 ( 2.901 4.803 0.447) 5.629 11.421 ( -5.201 -8.731 0.719) 10.188 15.068 ( 2.219 4.074 -0.848) 4.716 16.066 ( 2.953 -0.287 -0.998) 3.130 16.146 ( -4.301 -2.057 0.466) 4.790======================= Grid point 542 (82/213) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 213Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 0.000 -0.000 27.037) 27.037 1.179 ( 0.000 0.000 27.037) 27.037 1.915 ( 0.000 0.000 45.874) 45.874 3.011 ( 0.000 0.000 -8.723) 8.723 3.011 ( 0.000 -0.000 -8.723) 8.723 5.206 ( -0.000 0.000 -21.124) 21.124 6.241 ( 0.000 0.000 -0.441) 0.441 6.241 ( 0.000 -0.000 -0.441) 0.441 10.203 ( -0.000 -0.000 1.682) 1.682 12.084 ( 0.000 0.000 3.743) 3.743 12.084 ( 0.000 -0.000 3.743) 3.743 14.170 ( 0.000 0.000 -2.688) 2.688 14.170 ( 0.000 -0.000 -2.688) 2.688 14.800 ( 0.000 0.000 -0.442) 0.442 16.846 ( 0.000 0.000 0.711) 0.711======================= Grid point 543 (83/213) =======================q-point: ( 0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 6.312 3.644 26.747) 27.722 1.245 ( 6.240 3.602 24.804) 25.829 2.148 ( 17.472 10.087 34.919) 40.328 3.047 ( 2.617 1.511 -8.278) 8.813 3.126 ( 10.478 6.049 -6.692) 13.826 5.186 ( -1.373 -0.792 -19.272) 19.337 6.262 ( 1.773 1.023 -0.485) 2.104 6.401 ( 13.051 7.535 -5.220) 15.948 9.402 ( -46.057 -26.591 13.940) 54.978 12.073 ( -2.270 -1.311 3.421) 4.310 12.566 ( 19.159 11.062 -3.329) 22.372 14.105 ( -4.444 -2.565 -6.622) 8.377 14.145 ( -0.914 -0.527 -2.523) 2.735 14.945 ( 12.984 7.496 -0.009) 14.992 16.657 ( -14.386 -8.306 7.091) 18.062======================= Grid point 544 (84/213) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( 10.965 6.331 19.693) 23.412 1.502 ( 16.181 9.342 18.240) 26.111 2.588 ( 19.434 11.220 16.144) 27.644 3.130 ( 4.662 2.692 -7.289) 9.062 3.476 ( 19.678 11.361 -0.181) 22.723 5.160 ( -0.585 -0.338 -14.528) 14.543 6.321 ( 3.365 1.943 -0.622) 3.935 6.764 ( 17.476 10.090 -10.652) 22.818 8.549 ( -27.704 -15.995 10.271) 33.598 11.976 ( -6.311 -3.643 2.439) 7.684 12.611 ( -11.747 -6.782 5.949) 14.812 13.966 ( -9.113 -5.261 -14.670) 18.054 14.136 ( 0.280 0.162 -1.923) 1.950 15.357 ( 20.558 11.869 1.084) 23.763 16.332 ( -12.101 -6.986 10.965) 17.762======================= Grid point 545 (85/213) =======================q-point: ( 0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 12.846 7.417 13.834) 20.283 1.912 ( 18.463 10.660 10.093) 23.588 2.996 ( 16.115 9.304 -0.450) 18.613 3.257 ( 6.359 3.671 -5.673) 9.279 3.986 ( 24.038 13.878 5.710) 28.338 5.172 ( 1.971 1.138 -7.460) 7.799 6.415 ( 4.777 2.758 -0.851) 5.582 7.156 ( 16.250 9.382 -11.227) 21.866 8.105 ( -12.444 -7.184 1.334) 14.430 11.786 ( -10.231 -5.907 1.308) 11.886 12.217 ( -20.060 -11.581 9.196) 24.921 13.677 ( -15.643 -9.032 -13.687) 22.663 14.163 ( 2.185 1.262 -1.161) 2.777 15.780 ( 15.533 8.968 4.119) 18.403 16.133 ( -5.625 -3.247 6.456) 9.158======================= Grid point 546 (86/213) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 12.489 7.211 8.112) 16.546 2.303 ( 15.332 8.852 4.762) 18.333 3.318 ( 12.086 6.978 -8.568) 16.376 3.414 ( 7.257 4.190 -3.496) 9.080 4.523 ( 22.017 12.712 5.830) 26.083 5.265 ( 6.497 3.751 0.504) 7.519 6.535 ( 5.672 3.275 -1.155) 6.651 7.484 ( 12.089 6.980 -8.931) 16.572 7.939 ( -2.813 -1.624 -4.093) 5.225 11.519 ( -12.823 -7.404 0.600) 14.819 11.774 ( -17.656 -10.194 6.593) 21.427 13.280 ( -18.711 -10.803 -9.417) 23.569 14.234 ( 3.919 2.263 -0.556) 4.559 16.016 ( 0.940 0.542 17.172) 17.206 16.091 ( 5.950 3.435 -9.849) 12.008======================= Grid point 547 (87/213) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.282 ( 10.674 6.163 2.878) 12.657 2.605 ( 11.329 6.541 0.155) 13.083 3.541 ( 7.273 4.199 -8.293) 11.803 3.578 ( 6.929 4.000 -1.074) 8.073 4.948 ( 14.730 8.504 1.966) 17.122 5.479 ( 12.006 6.932 7.147) 15.597 6.666 ( 5.649 3.262 -1.490) 6.691 7.694 ( 6.524 3.767 -6.973) 10.265 7.946 ( 2.529 1.460 -4.098) 5.032 11.219 ( -13.107 -7.567 0.547) 15.145 11.446 ( -10.634 -6.140 2.510) 12.533 12.841 ( -19.511 -11.265 -5.663) 23.231 14.335 ( 4.696 2.711 -0.217) 5.426 15.982 ( -1.940 -1.120 6.501) 6.876 16.247 ( 5.974 3.449 -2.385) 7.298======================= Grid point 548 (88/213) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( 8.014 4.627 -1.465) 9.369 2.834 ( 9.072 5.238 -3.974) 11.204 3.647 ( 2.127 1.228 -3.856) 4.572 3.719 ( 5.176 2.988 1.150) 6.086 5.205 ( 8.425 4.864 -0.251) 9.732 5.765 ( 11.804 6.815 9.158) 16.421 6.784 ( 4.478 2.586 -1.803) 5.476 7.806 ( 3.719 2.147 -6.515) 7.803 8.000 ( 1.221 0.705 -0.219) 1.426 10.942 ( -10.745 -6.204 0.980) 12.446 11.300 ( -2.232 -1.289 -0.832) 2.708 12.405 ( -18.328 -10.581 -3.464) 21.445 14.438 ( 4.217 2.435 -0.067) 4.870 15.934 ( -2.298 -1.327 4.184) 4.954 16.370 ( 5.071 2.928 -2.594) 6.405======================= Grid point 549 (89/213) =======================q-point: ( 0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( 4.881 2.818 -4.470) 7.194 3.029 ( 8.070 4.659 -7.778) 12.138 3.647 ( -1.744 -1.007 1.125) 2.307 3.804 ( 2.119 1.224 2.795) 3.715 5.345 ( 3.873 2.236 -0.701) 4.527 5.970 ( 5.560 3.210 8.881) 10.958 6.863 ( 2.298 1.327 -2.032) 3.342 7.869 ( 1.721 0.993 -4.749) 5.148 7.982 ( -2.716 -1.568 1.910) 3.672 10.747 ( -6.061 -3.499 1.502) 7.158 11.327 ( 3.700 2.136 -2.509) 4.955 12.031 ( -13.608 -7.856 -2.755) 15.953 14.518 ( 2.626 1.516 -0.010) 3.032 15.878 ( -2.596 -1.499 3.603) 4.688 16.489 ( 5.485 3.167 -3.537) 7.254======================= Grid point 550 (90/213) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( 1.431 0.826 -5.741) 5.974 3.178 ( 3.656 2.111 -11.266) 12.031 3.605 ( -0.427 -0.246 4.893) 4.918 3.810 ( -1.711 -0.988 3.589) 4.096 5.378 ( -1.082 -0.625 -0.821) 1.495 6.003 ( -2.823 -1.630 8.935) 9.511 6.885 ( -0.370 -0.214 -2.108) 2.150 7.848 ( -5.023 -2.900 6.369) 8.614 7.914 ( -1.694 -0.978 -7.803) 8.045 10.676 ( -0.053 -0.030 1.723) 1.724 11.388 ( -0.690 -0.398 -2.800) 2.911 11.864 ( 1.158 0.669 -2.806) 3.108 14.553 ( 0.395 0.228 0.006) 0.456 15.819 ( -2.526 -1.458 3.559) 4.602 16.620 ( 5.992 3.459 -3.880) 7.932======================= Grid point 552 (91/213) =======================q-point: (-0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( -2.400 -1.385 -4.922) 5.648 3.136 ( -6.891 -3.979 -7.054) 10.634 3.689 ( 7.218 4.167 -0.584) 8.355 3.729 ( -5.228 -3.018 3.231) 6.847 5.292 ( -6.528 -3.769 -0.819) 7.582 5.844 ( -10.953 -6.324 10.095) 16.182 6.847 ( -2.862 -1.653 -2.005) 3.866 7.695 ( -7.258 -4.190 5.073) 9.797 7.867 ( -3.121 -1.802 -8.314) 9.062 10.743 ( 5.780 3.337 1.487) 6.837 11.317 ( -3.196 -1.845 -2.359) 4.380 12.056 ( 13.167 7.602 -2.815) 15.463 14.537 ( -1.805 -1.042 -0.007) 2.084 15.766 ( -2.118 -1.223 3.645) 4.390 16.755 ( 5.581 3.222 -3.332) 7.255======================= Grid point 553 (92/213) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( -6.751 -3.898 -1.717) 7.982 2.916 ( -11.695 -6.752 -1.777) 13.620 3.584 ( -7.084 -4.090 1.378) 8.295 3.863 ( 6.523 3.766 -9.362) 12.016 5.090 ( -10.539 -6.085 0.549) 12.182 5.520 ( -16.970 -9.798 11.879) 22.915 6.760 ( -4.679 -2.702 -1.768) 5.685 7.549 ( -4.920 -2.840 1.153) 5.796 7.764 ( -5.913 -3.414 -8.459) 10.870 10.927 ( 10.020 5.785 0.963) 11.610 11.303 ( 2.626 1.516 -0.654) 3.102 12.394 ( 15.763 9.101 -3.314) 18.501 14.476 ( -3.305 -1.908 -0.062) 3.817 15.722 ( -1.798 -1.038 3.896) 4.415 16.864 ( 3.824 2.208 -2.219) 4.942======================= Grid point 554 (93/213) =======================q-point: (-0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( -11.068 -6.390 3.490) 13.248 2.618 ( -14.303 -8.258 2.093) 16.648 3.422 ( -6.879 -3.972 -1.695) 8.122 3.903 ( -4.978 -2.874 -17.284) 18.215 4.872 ( -7.199 -4.156 5.398) 9.912 5.095 ( -19.362 -11.179 10.977) 24.907 6.641 ( -5.572 -3.217 -1.462) 6.598 7.491 ( 0.068 0.039 -2.111) 2.113 7.598 ( -8.452 -4.880 -9.155) 13.382 11.182 ( 11.930 6.888 0.532) 13.786 11.453 ( 10.724 6.191 2.694) 12.672 12.752 ( 15.242 8.800 -5.006) 18.298 14.394 ( -3.709 -2.141 -0.207) 4.287 15.677 ( -2.299 -1.327 4.487) 5.214 16.920 ( 0.897 0.518 -1.026) 1.458======================= Grid point 555 (94/213) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -13.784 -7.958 9.353) 18.461 2.264 ( -16.777 -9.686 5.992) 20.278 3.278 ( -5.719 -3.302 -4.709) 8.110 3.616 ( -18.609 -10.744 -13.766) 25.520 4.549 ( -22.312 -12.882 11.847) 28.357 4.897 ( 2.359 1.362 -1.307) 3.021 6.513 ( -5.488 -3.168 -1.138) 6.438 7.356 ( -11.542 -6.664 -9.946) 16.629 7.591 ( 7.819 4.514 -2.417) 9.347 11.454 ( 11.599 6.697 0.566) 13.406 11.798 ( 19.471 11.242 7.479) 23.695 13.077 ( 13.055 7.537 -8.394) 17.254 14.315 ( -3.099 -1.789 -0.525) 3.617 15.605 ( -4.399 -2.540 5.381) 7.400 16.901 ( -2.529 -1.460 -0.051) 2.921======================= Grid point 556 (95/213) =======================q-point: (-0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( -13.953 -8.056 15.038) 22.039 1.859 ( -18.352 -10.596 10.956) 23.856 3.134 ( -22.539 -13.013 -0.734) 26.036 3.161 ( -4.477 -2.585 -6.828) 8.564 4.017 ( -23.474 -13.553 6.758) 27.935 4.996 ( 5.073 2.929 -8.673) 10.466 6.397 ( -4.570 -2.638 -0.843) 5.344 7.062 ( -14.132 -8.159 -10.810) 19.574 7.879 ( 17.936 10.356 2.624) 20.877 11.699 ( 9.707 5.605 1.213) 11.274 12.320 ( 25.196 14.547 12.598) 31.705 13.341 ( 10.119 5.842 -13.566) 17.904 14.256 ( -2.039 -1.177 -1.070) 2.586 15.462 ( -8.390 -4.844 5.802) 11.292 16.812 ( -4.989 -2.880 0.995) 5.846======================= Grid point 557 (96/213) =======================q-point: (-0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( -15.489 -8.942 18.724) 25.893 1.492 ( -11.708 -6.760 20.460) 24.524 2.618 ( -22.306 -12.878 16.653) 30.672 3.074 ( -3.112 -1.797 -8.085) 8.848 3.514 ( -19.812 -11.438 -0.178) 22.877 5.103 ( 4.109 2.372 -15.015) 15.747 6.309 ( -3.129 -1.806 -0.618) 3.665 6.722 ( -15.259 -8.810 -9.696) 20.112 8.443 ( 32.451 18.736 11.428) 39.175 11.891 ( 7.085 4.090 2.273) 8.491 12.814 ( 12.323 7.115 10.378) 17.612 13.578 ( 13.099 7.562 -14.611) 21.030 14.220 ( -1.236 -0.714 -1.761) 2.267 15.218 ( -12.665 -7.312 3.976) 15.155 16.708 ( -2.918 -1.684 3.298) 4.714======================= Grid point 558 (97/213) =======================q-point: (-0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( -5.499 -3.175 26.703) 27.448 1.272 ( -7.218 -4.168 25.064) 26.414 2.148 ( -17.697 -10.217 34.968) 40.501 3.022 ( -1.434 -0.828 -8.675) 8.832 3.150 ( -11.463 -6.618 -6.369) 14.689 5.178 ( 2.368 1.367 -19.327) 19.519 6.256 ( -1.493 -0.862 -0.484) 1.790 6.397 ( -12.118 -6.996 -4.862) 14.813 9.381 ( 48.460 27.979 14.419) 57.785 12.021 ( 4.253 2.455 3.277) 5.904 12.656 ( -25.629 -14.797 -3.703) 29.824 13.962 ( 16.457 9.501 -4.203) 19.462 14.195 ( -1.041 -0.601 -2.382) 2.668 14.933 ( -10.697 -6.176 0.417) 12.359 16.734 ( 5.485 3.166 4.508) 7.774======================= Grid point 560 (98/213) =======================q-point: ( 0.06 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( 7.846 12.608 20.985) 25.708 1.420 ( 6.228 12.099 21.519) 25.460 2.472 ( 11.182 20.767 21.461) 31.889 3.083 ( 4.003 2.787 -7.967) 9.342 3.379 ( 8.701 18.328 -2.085) 20.396 5.146 ( 0.081 -3.178 -16.223) 16.531 6.298 ( 2.136 2.735 -0.552) 3.514 6.643 ( 10.309 15.302 -9.271) 20.649 8.694 ( -17.304 -36.863 13.031) 42.757 11.969 ( -0.383 -7.485 2.585) 7.928 12.767 ( -9.330 0.870 4.426) 10.364 13.801 ( 4.008 -20.691 -10.210) 23.419 14.204 ( -1.034 2.125 -3.873) 4.537 15.188 ( 13.220 14.725 2.184) 19.909 16.560 ( -14.086 0.478 7.060) 15.763======================= Grid point 561 (99/213) =======================q-point: ( 0.12 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 8.652 14.090 16.031) 23.030 1.751 ( 14.660 15.145 12.887) 24.705 2.867 ( 12.511 16.204 4.511) 20.962 3.203 ( 5.441 4.846 -6.570) 9.811 3.796 ( 16.959 20.183 4.444) 26.734 5.131 ( 1.910 -2.508 -10.426) 10.892 6.380 ( 3.447 4.016 -0.679) 5.336 7.000 ( 13.966 12.942 -11.417) 22.201 8.179 ( -10.508 -19.075 4.621) 22.262 11.841 ( -5.058 -9.267 1.504) 10.664 12.437 ( -18.462 -12.504 10.172) 24.509 13.634 ( -0.442 -21.473 -12.394) 24.797 14.199 ( -1.881 3.005 -3.616) 5.064 15.589 ( 16.760 10.241 3.919) 20.028 16.340 ( -14.620 6.559 6.330) 17.229======================= Grid point 562 (100/213) =======================q-point: ( 0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 8.946 15.178 10.955) 20.746 2.152 ( 14.623 13.122 6.905) 20.826 3.203 ( 10.820 10.974 -7.085) 16.961 3.361 ( 6.015 7.155 -4.789) 10.503 4.313 ( 19.763 18.518 7.076) 27.992 5.175 ( 5.561 -0.789 -3.004) 6.369 6.493 ( 4.373 5.154 -0.900) 6.819 7.346 ( 12.856 9.351 -10.146) 18.859 7.936 ( -2.581 -8.879 -2.255) 9.518 11.619 ( -9.071 -10.480 0.576) 13.872 11.982 ( -18.688 -12.433 8.511) 24.005 13.352 ( -7.994 -20.400 -9.909) 24.046 14.222 ( 0.943 3.682 -1.841) 4.223 15.918 ( 12.611 4.833 6.270) 14.890 16.195 ( -10.706 7.501 1.908) 13.210======================= Grid point 563 (101/213) =======================q-point: ( 0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.243 ( 7.223 15.480 6.162) 18.160 2.489 ( 11.455 9.723 2.298) 15.200 3.444 ( 8.095 5.030 -8.534) 12.793 3.546 ( 5.591 9.595 -4.098) 11.837 4.790 ( 16.035 13.750 4.266) 21.550 5.321 ( 11.233 2.006 4.400) 12.229 6.625 ( 4.587 5.846 -1.197) 7.527 7.603 ( 8.660 4.649 -7.631) 12.443 7.893 ( 3.334 -2.297 -4.627) 6.148 11.344 ( -10.819 -9.720 -0.046) 14.544 11.588 ( -14.413 -8.973 4.754) 17.631 12.977 ( -13.055 -18.267 -6.344) 23.332 14.300 ( 3.333 4.357 -0.761) 5.539 16.079 ( -4.585 5.487 12.770) 14.636 16.153 ( 5.457 1.811 -7.574) 9.509======================= Grid point 564 (102/213) =======================q-point: ( 0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 4.192 14.523 1.971) 15.244 2.744 ( 8.873 7.697 -2.042) 11.923 3.586 ( 5.094 0.915 -4.735) 7.015 3.719 ( 3.159 9.484 -2.368) 10.273 5.110 ( 9.526 7.626 0.444) 12.211 5.587 ( 14.904 3.887 8.654) 17.667 6.757 ( 3.755 5.867 -1.519) 7.130 7.743 ( 5.330 1.109 -6.589) 8.547 7.962 ( 4.010 0.430 -1.897) 4.457 11.071 ( -11.184 -7.045 0.048) 13.218 11.337 ( -6.134 -5.068 1.073) 8.029 12.562 ( -15.058 -16.055 -3.692) 22.319 14.410 ( 3.671 5.070 -0.263) 6.265 16.013 ( -6.271 3.281 4.276) 8.269 16.283 ( 6.956 0.314 -1.831) 7.200======================= Grid point 565 (103/213) =======================q-point: ( 0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.667 ( 1.158 11.771 -1.496) 11.922 2.958 ( 7.373 7.855 -5.620) 12.151 3.636 ( 1.334 -1.748 -0.641) 2.290 3.835 ( 0.137 8.126 0.450) 8.140 5.291 ( 5.522 3.578 -0.621) 6.609 5.848 ( 11.236 1.400 8.705) 14.282 6.861 ( 1.824 5.168 -1.798) 5.768 7.826 ( 3.819 -0.042 -5.537) 6.726 7.998 ( -0.106 -0.602 1.668) 1.777 10.839 ( -8.822 -4.241 0.777) 9.819 11.279 ( 2.173 -0.992 -1.533) 2.838 12.165 ( -13.782 -13.171 -2.492) 19.226 14.514 ( 2.178 5.390 -0.084) 5.815 15.937 ( -5.051 0.968 3.172) 6.042 16.402 ( 6.742 0.403 -2.673) 7.264======================= Grid point 566 (104/213) =======================q-point: ( 0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( -1.401 8.716 -3.792) 9.608 3.142 ( 4.856 6.705 -8.948) 12.191 3.612 ( -0.983 -1.912 3.565) 4.163 3.881 ( -3.199 6.394 2.036) 7.434 5.371 ( 1.516 0.248 -0.852) 1.757 5.972 ( 3.814 -3.003 8.281) 9.599 6.915 ( -0.858 3.925 -1.950) 4.466 7.862 ( 0.705 -1.765 -1.051) 2.172 7.950 ( -3.585 -1.266 0.112) 3.804 10.703 ( -3.618 -0.976 1.235) 3.945 11.348 ( 4.356 -0.272 -2.359) 4.961 11.875 ( -5.981 -7.345 -2.407) 9.773 14.582 ( -0.445 4.947 -0.057) 4.967 15.862 ( -3.907 -0.379 3.136) 5.024 16.526 ( 7.253 0.610 -3.519) 8.085======================= Grid point 567 (105/213) =======================q-point: (-0.50 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.790 ( -4.408 6.219 -4.335) 8.769 3.199 ( -3.295 -0.399 -8.709) 9.320 3.620 ( 2.979 1.608 3.806) 5.094 3.857 ( -6.272 6.361 1.693) 9.092 5.343 ( -3.369 -2.999 -0.926) 4.604 5.914 ( -4.694 -7.119 8.778) 12.238 6.908 ( -3.637 2.460 -1.915) 4.790 7.778 ( -6.314 -3.685 6.344) 9.680 7.896 ( -2.136 -0.894 -7.503) 7.852 10.701 ( 2.489 2.474 1.232) 3.719 11.337 ( -2.384 -4.163 -2.316) 5.327 11.896 ( 10.513 2.131 -2.421) 10.996 14.593 ( -3.214 3.583 -0.074) 4.814 15.799 ( -2.859 -0.470 3.228) 4.338 16.658 ( 7.474 0.205 -3.446) 8.233======================= Grid point 568 (106/213) =======================q-point: (-0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.732 ( -8.299 3.782 -2.612) 9.487 3.047 ( -10.042 -4.773 -3.621) 11.693 3.649 ( -2.655 -2.394 1.787) 3.997 3.865 ( -0.494 10.390 -4.654) 11.395 5.197 ( -8.412 -5.592 -0.384) 10.109 5.681 ( -12.444 -9.646 10.344) 18.839 6.843 ( -5.870 1.094 -1.716) 6.213 7.627 ( -6.835 -2.545 3.420) 8.055 7.828 ( -4.495 -1.860 -7.852) 9.237 10.830 ( 7.690 5.221 0.787) 9.329 11.275 ( 0.434 -2.129 -1.418) 2.595 12.180 ( 16.799 4.713 -2.467) 17.621 14.546 ( -5.092 1.601 -0.121) 5.339 15.756 ( -2.288 0.559 3.340) 4.087 16.777 ( 6.684 -1.198 -2.563) 7.258======================= Grid point 569 (107/213) =======================q-point: (-0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( -12.714 1.037 1.456) 12.840 2.791 ( -13.507 -5.648 0.140) 14.641 3.526 ( -7.646 -1.742 -0.401) 7.852 3.949 ( -1.448 3.731 -13.471) 14.053 4.978 ( -9.532 -4.352 2.915) 10.876 5.317 ( -18.078 -10.176 11.415) 23.678 6.735 ( -7.177 0.057 -1.437) 7.319 7.521 ( -3.437 -0.047 -0.572) 3.485 7.703 ( -7.627 -2.370 -8.411) 11.599 11.049 ( 10.842 6.094 0.135) 12.438 11.341 ( 7.576 2.523 1.093) 8.060 12.528 ( 18.033 4.331 -3.389) 18.853 14.459 ( -5.494 -0.242 -0.285) 5.507 15.728 ( -2.741 2.031 3.726) 5.052 16.853 ( 4.733 -3.602 -1.361) 6.102======================= Grid point 570 (108/213) =======================q-point: (-0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( -16.288 -1.389 6.780) 17.697 2.478 ( -16.555 -5.662 3.600) 17.863 3.379 ( -7.884 -0.551 -3.556) 8.667 3.805 ( -13.755 -7.030 -16.836) 22.849 4.804 ( -15.563 -4.605 11.519) 19.903 4.931 ( -8.657 -2.646 3.137) 9.580 6.606 ( -7.427 -0.512 -1.141) 7.531 7.487 ( -6.472 -2.091 -6.925) 9.706 7.559 ( -1.836 2.801 -5.281) 6.253 11.306 ( 12.392 5.202 0.012) 13.440 11.590 ( 15.621 7.597 4.965) 18.066 12.867 ( 17.079 3.070 -5.726) 18.273 14.364 ( -4.543 -1.277 -0.703) 4.772 15.693 ( -4.773 3.190 4.575) 7.341 16.860 ( 1.995 -6.769 -0.266) 7.061======================= Grid point 571 (109/213) =======================q-point: (-0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( -17.613 -2.697 12.076) 21.525 2.113 ( -19.683 -5.157 7.449) 21.668 3.245 ( -7.640 -0.937 -6.148) 9.851 3.408 ( -20.645 -8.834 -8.666) 24.070 4.332 ( -25.571 -8.488 9.826) 28.678 4.960 ( 3.128 4.639 -4.227) 7.013 6.478 ( -6.692 -0.579 -0.872) 6.773 7.256 ( -14.313 -2.978 -10.485) 17.991 7.712 ( 11.089 7.193 -1.137) 13.266 11.566 ( 11.993 4.539 0.537) 12.834 12.014 ( 23.413 9.478 9.833) 27.105 13.167 ( 14.808 2.466 -9.763) 17.907 14.286 ( -2.895 -1.351 -1.498) 3.529 15.614 ( -8.848 3.697 5.560) 11.085 16.787 ( -0.596 -10.305 0.727) 10.348======================= Grid point 572 (110/213) =======================q-point: (-0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( -16.731 -3.390 16.711) 23.889 1.722 ( -20.382 -2.564 13.199) 24.417 2.915 ( -22.476 -7.591 4.572) 24.160 3.160 ( -6.855 1.654 -6.936) 9.891 3.816 ( -25.346 -6.220 4.559) 26.493 5.064 ( 3.601 3.690 -10.948) 12.101 6.371 ( -5.237 -0.206 -0.672) 5.284 6.959 ( -17.448 -1.735 -11.013) 20.706 8.081 ( 23.396 8.807 5.288) 25.552 11.794 ( 9.590 3.940 1.447) 10.468 12.520 ( 24.846 3.417 12.964) 28.232 13.440 ( 13.263 6.673 -13.952) 20.374 14.238 ( -1.493 -0.983 -2.701) 3.239 15.450 ( -14.821 3.751 5.265) 16.169 16.652 ( -0.631 -13.185 2.736) 13.481======================= Grid point 577 (111/213) =======================q-point: ( 0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 8.222 17.574 12.771) 23.228 2.075 ( 11.351 17.030 7.853) 21.921 3.192 ( 5.176 14.620 -6.896) 16.973 3.337 ( 6.653 10.508 -5.768) 13.709 4.238 ( 13.006 23.695 8.330) 28.284 5.065 ( 4.297 -3.975 -4.872) 7.616 6.479 ( 3.869 5.928 -0.700) 7.113 7.251 ( 9.917 12.103 -10.685) 18.947 7.850 ( -0.682 -13.592 -0.899) 13.638 11.628 ( -5.168 -12.044 0.475) 13.115 12.108 ( -12.646 -19.592 10.242) 25.469 13.236 ( -3.902 -18.178 -9.693) 20.967 14.255 ( -0.278 3.180 -2.765) 4.223 15.741 ( 12.842 5.200 5.307) 14.837 16.510 ( -14.127 8.936 2.156) 16.855======================= Grid point 578 (112/213) =======================q-point: ( 0.19 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.295 ( 7.952 18.877 9.185) 22.448 2.414 ( 10.260 13.139 3.955) 17.133 3.385 ( 5.367 6.809 -8.752) 12.319 3.570 ( 5.343 14.280 -7.595) 17.034 4.691 ( 13.966 19.157 7.359) 24.824 5.145 ( 8.971 -2.072 1.670) 9.357 6.615 ( 4.394 7.126 -0.817) 8.412 7.507 ( 8.353 6.496 -8.457) 13.546 7.789 ( 4.280 -5.178 -4.136) 7.889 11.394 ( -7.655 -11.742 -0.362) 14.022 11.724 ( -12.882 -13.587 6.198) 19.722 12.952 ( -7.479 -19.441 -5.886) 21.645 14.306 ( 1.639 5.096 -1.719) 5.622 15.975 ( 10.872 1.044 4.004) 11.633 16.358 ( -13.236 7.869 1.404) 15.463======================= Grid point 579 (113/213) =======================q-point: ( 0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( 4.505 18.949 6.790) 20.627 2.685 ( 8.506 10.625 -0.346) 13.615 3.514 ( 4.494 2.177 -6.491) 8.190 3.784 ( 3.017 14.067 -6.363) 15.731 5.044 ( 8.795 11.321 1.977) 14.471 5.348 ( 15.252 0.950 7.699) 17.112 6.762 ( 3.881 7.836 -1.037) 8.806 7.655 ( 5.636 0.749 -6.376) 8.543 7.874 ( 6.567 0.620 -3.095) 7.287 11.158 ( -7.871 -8.748 -1.321) 11.842 11.412 ( -9.884 -8.817 3.119) 13.607 12.606 ( -10.624 -18.680 -3.080) 21.709 14.409 ( 3.287 6.755 -0.775) 7.552 16.140 ( 8.883 -1.173 0.963) 9.012 16.213 ( -11.351 5.569 1.922) 12.789======================= Grid point 580 (114/213) =======================q-point: ( 0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 0.618 13.119 2.456) 13.361 2.942 ( 6.613 14.542 -1.920) 16.090 3.580 ( 2.819 -1.421 -2.640) 4.115 3.943 ( -0.186 13.064 -3.558) 13.541 5.238 ( 5.416 5.083 -0.347) 7.435 5.627 ( 14.831 0.095 8.261) 16.977 6.894 ( 2.194 7.844 -1.290) 8.247 7.744 ( 4.996 -0.705 -4.991) 7.097 7.971 ( 3.237 0.555 0.582) 3.335 10.945 ( -8.632 -5.814 -0.892) 10.445 11.246 ( -1.589 -3.999 0.305) 4.314 12.236 ( -11.715 -16.533 -1.579) 20.324 14.539 ( 2.925 7.952 -0.288) 8.477 16.077 ( -9.076 2.507 0.828) 9.452 16.269 ( 7.839 -1.389 -0.052) 7.962======================= Grid point 581 (115/213) =======================q-point: ( 0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( -1.512 10.439 -0.644) 10.568 3.171 ( 2.853 13.831 -3.884) 14.646 3.588 ( 1.077 -2.794 1.662) 3.425 4.034 ( -3.666 12.001 -1.521) 12.640 5.340 ( 2.763 1.252 -0.906) 3.166 5.819 ( 9.496 -4.273 7.113) 12.610 6.984 ( -0.495 7.143 -1.472) 7.310 7.806 ( 3.384 -2.018 -2.795) 4.831 7.988 ( -1.276 -0.128 2.762) 3.045 10.771 ( -5.991 -2.798 -0.080) 6.612 11.260 ( 4.649 -0.921 -1.223) 4.894 11.906 ( -8.804 -12.631 -1.321) 15.453 14.651 ( 0.452 8.302 -0.189) 8.316 15.955 ( -6.915 0.617 1.716) 7.152 16.389 ( 8.019 -1.620 -2.143) 8.457======================= Grid point 582 (116/213) =======================q-point: ( 0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.951 ( -4.020 9.390 -2.097) 10.428 3.269 ( -3.403 4.895 -5.545) 8.142 3.598 ( 1.924 1.275 4.766) 5.295 4.060 ( -6.676 11.869 -1.136) 13.665 5.352 ( -0.920 -2.188 -1.118) 2.623 5.859 ( 2.279 -8.154 6.791) 10.853 7.013 ( -3.633 5.858 -1.488) 7.052 7.803 ( -0.752 -4.015 2.059) 4.574 7.943 ( -3.479 0.525 -0.523) 3.557 10.702 ( -0.543 0.629 0.176) 0.850 11.311 ( 1.081 -3.367 -1.386) 3.798 11.758 ( 3.923 -4.394 -1.531) 6.086 14.706 ( -3.274 7.188 -0.251) 7.903 15.859 ( -4.520 0.188 2.193) 5.027 16.511 ( 8.337 -2.191 -2.849) 9.078======================= Grid point 584 (117/213) =======================q-point: (-0.50 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( -7.851 8.455 -1.774) 11.674 3.167 ( -8.599 -2.386 -3.234) 9.491 3.648 ( 0.704 0.819 3.339) 3.509 4.061 ( -7.064 13.341 -3.444) 15.484 5.263 ( -5.331 -4.873 -0.770) 7.263 5.740 ( -5.491 -9.826 7.676) 13.624 6.976 ( -6.433 4.193 -1.322) 7.792 7.708 ( -5.118 -3.394 4.309) 7.502 7.888 ( -3.812 0.289 -4.780) 6.121 10.764 ( 5.172 3.605 -0.063) 6.305 11.248 ( -1.192 -4.297 -1.244) 4.630 11.930 ( 15.250 1.105 -1.258) 15.341 14.678 ( -6.570 4.467 -0.276) 7.950 15.808 ( -2.546 1.672 2.232) 3.776 16.624 ( 8.022 -3.708 -2.363) 9.149======================= Grid point 585 (118/213) =======================q-point: (-0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( -12.909 6.460 1.026) 14.472 2.959 ( -11.609 -3.891 -0.998) 12.284 3.611 ( -3.922 -1.833 0.626) 4.374 4.075 ( -6.042 9.395 -9.023) 14.359 5.093 ( -8.253 -3.956 1.570) 9.286 5.489 ( -12.638 -9.051 9.053) 17.989 6.882 ( -8.259 2.492 -1.091) 8.696 7.594 ( -4.978 -0.780 1.231) 5.187 7.807 ( -5.914 0.123 -6.240) 8.598 10.933 ( 9.040 4.694 -0.782) 10.216 11.244 ( 4.562 -0.679 0.244) 4.618 12.240 ( 18.506 1.491 -1.477) 18.625 14.580 ( -7.863 1.335 -0.374) 7.985 15.800 ( -1.999 4.149 2.280) 5.139 16.703 ( 6.686 -6.305 -1.249) 9.274======================= Grid point 586 (119/213) =======================q-point: (-0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( -17.429 3.107 5.483) 18.533 2.701 ( -14.328 -3.254 1.253) 14.746 3.504 ( -6.463 -0.835 -2.990) 7.170 3.970 ( -11.662 -2.118 -14.778) 18.944 4.961 ( -5.786 3.401 5.538) 8.701 5.141 ( -18.120 -7.148 8.796) 21.373 6.751 ( -8.896 1.164 -0.905) 9.018 7.537 ( -2.210 1.410 -2.929) 3.931 7.691 ( -8.070 1.647 -6.874) 10.728 11.144 ( 10.990 3.147 -1.185) 11.493 11.408 ( 12.470 3.929 3.028) 13.420 12.574 ( 18.932 0.900 -2.859) 19.168 14.451 ( -7.025 -0.799 -0.794) 7.114 15.811 ( -3.185 6.336 2.896) 7.660 16.720 ( 4.379 -9.746 -0.097) 10.685======================= Grid point 587 (120/213) =======================q-point: (-0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( -19.611 -0.024 9.524) 21.801 2.404 ( -17.570 -1.600 4.169) 18.129 3.380 ( -7.819 0.050 -6.137) 9.940 3.658 ( -17.648 -6.645 -12.805) 22.794 4.703 ( -24.086 -3.648 10.751) 26.627 4.989 ( -0.295 6.438 0.378) 6.456 6.609 ( -8.427 0.439 -0.768) 8.473 7.462 ( -9.983 0.378 -8.708) 13.253 7.659 ( 2.228 6.367 -3.831) 7.757 11.379 ( 13.322 2.223 -0.356) 13.511 11.722 ( 18.711 4.435 6.374) 20.258 12.901 ( 18.065 1.473 -5.741) 19.012 14.336 ( -4.895 -1.602 -1.633) 5.403 15.804 ( -6.139 7.724 4.181) 10.716 16.656 ( 1.532 -13.552 0.823) 13.664======================= Grid point 595 (121/213) =======================q-point: ( 0.19 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 7.979 15.380 7.266) 18.788 2.667 ( 8.486 14.513 2.164) 16.950 3.490 ( 2.197 4.288 -6.024) 7.714 3.885 ( 3.192 16.444 -11.283) 20.197 5.045 ( 5.944 14.938 4.350) 16.656 5.109 ( 12.429 0.223 7.346) 14.439 6.767 ( 4.951 8.041 -0.697) 9.469 7.578 ( 4.028 1.017 -5.468) 6.867 7.765 ( 7.484 2.540 -4.477) 9.083 11.176 ( -5.363 -9.963 -1.543) 11.420 11.459 ( -7.119 -12.804 3.571) 15.079 12.588 ( -9.076 -17.589 -2.570) 19.958 14.429 ( 2.728 7.309 -1.086) 7.877 15.966 ( 9.291 -1.664 1.613) 9.575 16.483 ( -13.153 4.524 1.367) 13.977======================= Grid point 596 (122/213) =======================q-point: ( 0.25 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.857 ( 3.765 9.656 0.257) 10.367 3.004 ( 8.404 18.389 6.324) 21.184 3.539 ( 0.758 0.699 -4.136) 4.263 4.084 ( 1.116 15.812 -8.111) 17.806 5.203 ( 5.168 3.877 0.655) 6.494 5.383 ( 13.045 3.398 8.217) 15.787 6.927 ( 3.836 8.695 -0.699) 9.529 7.655 ( 4.499 -0.237 -3.744) 5.858 7.906 ( 5.567 2.185 -1.153) 6.090 11.001 ( -5.569 -7.330 -2.298) 9.488 11.251 ( -4.597 -6.963 1.690) 8.513 12.251 ( -9.992 -17.133 -0.617) 19.844 14.567 ( 3.658 9.121 -0.533) 9.842 16.089 ( 7.941 -3.523 -2.350) 9.000 16.306 ( -11.499 3.334 3.303) 12.420======================= Grid point 597 (123/213) =======================q-point: ( 0.31 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.989 ( 1.430 8.306 -0.987) 8.485 3.299 ( 4.003 18.747 5.617) 19.975 3.535 ( 0.443 -2.922 -1.243) 3.206 4.228 ( -2.490 15.590 -5.807) 16.821 5.306 ( 3.280 1.744 -0.345) 3.731 5.589 ( 11.129 -3.926 5.859) 13.176 7.060 ( 1.281 8.851 -0.728) 8.973 7.719 ( 3.989 -1.913 -2.071) 4.885 7.988 ( 1.928 1.283 2.567) 3.458 10.836 ( -5.867 -5.261 -1.685) 8.058 11.188 ( 1.937 -1.612 0.016) 2.521 11.923 ( -9.197 -14.902 0.033) 17.511 14.718 ( 2.464 9.949 -0.347) 10.255 16.093 ( -6.673 -0.970 -2.736) 7.277 16.241 ( 4.869 -1.297 2.320) 5.547======================= Grid point 598 (124/213) =======================q-point: ( 0.38 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.075 ( -0.575 7.799 -1.807) 8.027 3.421 ( -6.359 5.932 0.377) 8.704 3.570 ( 4.423 4.980 5.870) 8.878 4.308 ( -6.002 15.712 -4.767) 17.481 5.340 ( 0.196 -1.201 -1.190) 1.702 5.684 ( 7.560 -9.137 4.558) 12.705 7.137 ( -2.346 8.207 -0.731) 8.567 7.744 ( 2.299 -4.211 0.086) 4.799 8.001 ( -1.698 1.429 3.809) 4.408 10.723 ( -2.513 -2.021 -1.264) 3.463 11.245 ( 3.816 -0.408 -0.327) 3.851 11.679 ( -2.950 -10.103 -0.230) 10.528 14.829 ( -1.168 9.137 -0.477) 9.224 15.961 ( -6.970 0.272 0.537) 6.996 16.338 ( 8.178 -3.531 -1.420) 9.020======================= Grid point 599 (125/213) =======================q-point: (-0.56 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.118 ( -3.322 7.012 -2.560) 8.170 3.311 ( -8.729 0.337 0.961) 8.789 3.662 ( -0.195 3.951 6.371) 7.500 4.340 ( -8.312 15.538 -5.214) 18.376 5.288 ( -3.005 -4.094 -1.104) 5.197 5.670 ( 2.069 -10.155 4.559) 11.322 7.137 ( -6.074 6.324 -0.633) 8.792 7.715 ( -0.423 -4.515 2.095) 4.996 7.967 ( -3.843 1.781 1.606) 4.530 10.720 ( 2.736 1.066 -1.260) 3.195 11.236 ( -2.046 -3.611 -0.400) 4.169 11.695 ( 11.255 -2.288 -0.144) 11.486 14.843 ( -6.094 6.072 -0.541) 8.619 15.880 ( -3.725 2.312 0.972) 4.490 16.439 ( 8.299 -5.126 -1.708) 9.903======================= Grid point 600 (126/213) =======================q-point: (-0.50 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.073 ( -7.684 1.087 -3.168) 8.382 3.154 ( -12.036 4.860 3.767) 13.515 3.642 ( -2.697 -1.638 3.602) 4.789 4.318 ( -10.011 10.398 -7.692) 16.356 5.176 ( -5.239 -2.546 0.987) 5.908 5.557 ( -4.864 -7.889 5.557) 10.806 7.058 ( -8.626 3.609 -0.505) 9.365 7.653 ( -2.793 -1.808 1.526) 3.661 7.910 ( -4.897 1.877 -1.468) 5.446 10.829 ( 7.339 2.630 -1.649) 7.968 11.182 ( 0.702 -2.196 -0.044) 2.306 11.939 ( 17.127 -0.151 0.105) 17.128 14.747 ( -9.342 2.106 -0.438) 9.586 15.877 ( -1.498 5.426 0.579) 5.658 16.512 ( 7.330 -7.503 -0.749) 10.516======================= Grid point 601 (127/213) =======================q-point: (-0.44 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.893 ( -11.229 -2.318 -0.772) 11.492 2.966 ( -17.163 5.063 5.930) 18.851 3.568 ( -3.083 -2.442 -1.698) 4.284 4.172 ( -13.068 -0.464 -11.076) 17.137 5.095 ( -4.946 4.929 3.802) 7.951 5.349 ( -12.253 -4.376 7.005) 14.777 6.924 ( -9.613 1.390 -0.559) 9.729 7.599 ( -2.948 1.450 -1.634) 3.669 7.838 ( -6.212 2.801 -3.555) 7.686 10.997 ( 9.100 1.618 -2.226) 9.507 11.248 ( 8.287 0.658 1.623) 8.470 12.251 ( 19.107 0.043 -0.564) 19.116 14.588 ( -9.543 -0.487 -0.574) 9.573 15.921 ( -1.483 7.777 0.543) 7.936 16.533 ( 5.368 -10.560 0.517) 11.857======================= Grid point 612 (128/213) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.039 ( 2.207 8.664 -1.530) 9.070 3.290 ( 11.801 8.620 6.134) 15.849 3.577 ( -2.583 4.663 1.600) 5.566 4.384 ( 3.367 13.891 -9.038) 16.911 5.220 ( 6.905 -0.599 2.317) 7.308 5.463 ( 1.462 3.441 4.053) 5.515 7.097 ( 4.738 8.258 -0.167) 9.522 7.652 ( 2.110 -0.156 -0.711) 2.232 7.953 ( 4.052 2.564 1.075) 4.914 10.859 ( -3.850 -7.080 -2.446) 8.422 11.163 ( -0.691 -1.546 0.547) 1.780 11.932 ( -9.223 -15.131 0.710) 17.734 14.757 ( 4.503 9.648 -0.458) 10.657 16.014 ( 7.003 -3.697 -1.907) 8.145 16.340 ( -10.729 0.108 1.599) 10.848======================= Grid point 613 (129/213) =======================q-point: ( 0.31 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( 0.932 7.443 -1.620) 7.674 3.455 ( 2.665 -3.701 0.763) 4.624 3.637 ( 0.553 13.172 10.136) 16.630 4.548 ( -1.907 16.381 -7.786) 18.237 5.309 ( 3.906 -1.305 0.274) 4.128 5.478 ( 3.240 -7.030 2.042) 8.006 7.237 ( 1.309 8.937 0.150) 9.034 7.663 ( 1.633 -3.912 0.230) 4.245 8.022 ( 1.237 2.065 4.705) 5.285 10.740 ( -2.899 -4.216 -2.371) 5.639 11.190 ( 3.066 1.922 0.248) 3.627 11.653 ( -6.763 -12.397 0.919) 14.151 14.913 ( 2.172 9.086 -0.681) 9.367 16.057 ( -0.867 -1.898 -2.546) 3.291 16.210 ( -0.780 -2.195 1.658) 2.859======================= Grid point 614 (130/213) =======================q-point: ( 0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.214 ( -1.063 6.046 -1.981) 6.451 3.402 ( -2.704 -3.113 0.882) 4.217 3.745 ( -1.936 7.596 11.643) 14.036 4.635 ( -7.185 16.241 -7.043) 19.105 5.296 ( -2.446 -3.161 -1.293) 4.201 5.481 ( 7.458 -10.314 1.676) 12.838 7.299 ( -4.345 7.855 0.245) 8.980 7.645 ( 2.371 -5.505 1.218) 6.117 8.036 ( -1.764 1.764 5.497) 6.036 10.692 ( 0.564 -1.148 -2.365) 2.688 11.248 ( -0.910 0.735 0.465) 1.258 11.514 ( 4.409 -6.508 0.680) 7.890 14.986 ( -2.992 6.093 -0.941) 6.853 15.981 ( -5.205 2.178 -0.105) 5.643 16.250 ( 7.186 -5.248 -0.766) 8.932======================= Grid point 616 (131/213) =======================q-point: (-0.56 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.186 ( -5.962 -0.539 -2.526) 6.498 3.354 ( -3.650 4.820 2.404) 6.506 3.705 ( -6.414 -0.387 9.429) 11.411 4.596 ( -11.698 7.132 -8.107) 15.920 5.226 ( -2.350 -0.013 0.648) 2.438 5.498 ( 3.382 -6.193 1.944) 7.320 7.240 ( -8.468 3.227 0.228) 9.065 7.645 ( 1.603 -1.870 1.072) 2.686 8.004 ( -3.659 1.638 3.731) 5.476 10.738 ( 4.983 0.587 -2.368) 5.549 11.185 ( -3.184 -1.232 0.208) 3.420 11.661 ( 14.283 -1.120 0.967) 14.360 14.924 ( -8.467 1.760 -0.728) 8.679 15.960 ( -1.825 5.693 -0.674) 6.016 16.314 ( 6.993 -7.089 -0.119) 9.959======================= Grid point 630 (132/213) =======================q-point: ( 0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.275 ( 1.637 5.288 -1.225) 5.670 3.376 ( -0.255 -3.754 0.116) 3.765 3.816 ( 2.045 4.533 13.825) 14.693 4.831 ( 4.386 9.960 -8.032) 13.526 5.268 ( 3.844 -1.671 0.133) 4.194 5.342 ( -6.543 -5.583 -0.639) 8.625 7.402 ( 3.937 7.143 0.860) 8.201 7.568 ( -2.663 -5.215 1.102) 5.958 8.057 ( 0.871 1.174 6.485) 6.647 10.680 ( -0.907 -1.622 -2.829) 3.385 11.264 ( 3.214 5.194 0.722) 6.151 11.439 ( -5.353 -8.819 1.094) 10.374 15.047 ( 2.016 3.781 -1.189) 4.446 16.046 ( 3.581 1.225 -0.854) 3.880 16.152 ( -4.867 -3.414 0.066) 5.946======================= Grid point 813 (133/213) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 0.000 0.000 19.370) 19.370 1.644 ( -0.000 -0.000 19.370) 19.370 2.736 ( 0.000 0.000 36.340) 36.340 2.820 ( -0.000 0.000 -9.886) 9.886 2.820 ( 0.000 0.000 -9.886) 9.886 4.745 ( 0.000 0.000 -24.145) 24.145 6.233 ( 0.000 0.000 -0.313) 0.313 6.233 ( 0.000 -0.000 -0.313) 0.313 10.232 ( -0.000 -0.000 1.135) 1.135 12.151 ( 0.000 0.000 2.781) 2.781 12.151 ( 0.000 -0.000 2.781) 2.781 14.121 ( 0.000 0.000 -2.034) 2.034 14.121 ( 0.000 -0.000 -2.034) 2.034 14.792 ( 0.000 0.000 -0.308) 0.308 16.859 ( -0.000 0.000 0.499) 0.499======================= Grid point 814 (134/213) =======================q-point: ( 0.06 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 3.823 2.207 18.637) 19.153 1.719 ( 5.971 3.448 20.878) 21.988 2.641 ( -1.170 -0.675 7.762) 7.879 2.863 ( 3.161 1.825 -9.757) 10.418 3.118 ( 18.791 10.849 12.681) 25.132 4.766 ( 1.992 1.150 -21.957) 22.077 6.253 ( 1.663 0.960 -0.439) 1.969 6.340 ( 9.142 5.278 -1.656) 10.686 9.568 ( -42.867 -24.749 4.500) 49.702 12.126 ( -3.158 -1.823 1.718) 4.031 12.567 ( 21.602 12.472 2.093) 25.032 13.989 ( -11.179 -6.454 -5.209) 13.920 14.107 ( -0.263 -0.152 -1.111) 1.152 14.940 ( 13.059 7.540 -0.368) 15.084 16.749 ( -8.817 -5.090 2.972) 10.605======================= Grid point 815 (135/213) =======================q-point: ( 0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 7.053 4.072 16.040) 17.989 1.915 ( 11.047 6.378 21.840) 25.292 2.693 ( 5.153 2.975 -5.412) 8.043 2.965 ( 5.781 3.338 -8.938) 11.156 3.613 ( 23.841 13.765 13.374) 30.606 4.842 ( 4.820 2.783 -16.743) 17.644 6.308 ( 3.188 1.840 -0.619) 3.732 6.620 ( 14.689 8.481 -4.570) 17.567 8.666 ( -33.418 -19.294 2.515) 38.670 12.006 ( -7.354 -4.246 0.478) 8.505 12.763 ( -5.563 -3.212 9.349) 11.343 13.685 ( -13.665 -7.889 -14.069) 21.140 14.114 ( 1.025 0.592 -0.119) 1.189 15.342 ( 19.834 11.451 -1.597) 22.958 16.528 ( -9.092 -5.249 8.461) 13.483======================= Grid point 816 (136/213) =======================q-point: ( 0.19 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 8.395 4.847 12.190) 15.575 2.196 ( 12.748 7.360 18.360) 23.533 2.861 ( 9.504 5.487 -12.718) 16.798 3.124 ( 8.055 4.650 -7.409) 11.891 4.165 ( 23.696 13.681 11.166) 29.552 4.988 ( 8.087 4.669 -10.867) 14.328 6.397 ( 4.536 2.619 -0.854) 5.306 6.975 ( 15.793 9.118 -6.929) 19.509 8.081 ( -18.046 -10.419 -3.086) 21.065 11.796 ( -10.922 -6.306 -0.368) 12.617 12.410 ( -21.800 -12.586 10.234) 27.173 13.394 ( -12.490 -7.211 -14.606) 20.526 14.157 ( 2.721 1.571 0.558) 3.191 15.736 ( 13.221 7.633 -4.553) 15.930 16.376 ( -3.791 -2.189 13.810) 14.487======================= Grid point 817 (137/213) =======================q-point: ( 0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 8.092 4.672 7.883) 12.225 2.458 ( 9.707 5.605 10.680) 15.483 3.120 ( 12.714 7.340 -11.121) 18.417 3.324 ( 9.320 5.381 -5.341) 12.014 4.652 ( 18.095 10.447 6.741) 21.955 5.222 ( 12.687 7.325 -4.901) 15.448 6.511 ( 5.391 3.113 -1.134) 6.328 7.313 ( 13.185 7.613 -7.753) 17.086 7.822 ( -5.240 -3.025 -7.271) 9.459 11.520 ( -12.928 -7.464 -0.540) 14.938 11.898 ( -21.295 -12.294 5.586) 25.216 13.088 ( -14.578 -8.416 -9.284) 19.224 14.236 ( 4.151 2.397 0.790) 4.858 15.923 ( 3.710 2.142 -6.829) 8.062 16.355 ( 1.312 0.757 16.130) 16.201======================= Grid point 818 (138/213) =======================q-point: ( 0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.349 ( 6.772 3.910 3.781) 8.686 2.642 ( 6.847 3.953 3.564) 8.672 3.402 ( 11.151 6.438 -5.496) 14.000 3.536 ( 9.002 5.197 -3.075) 10.840 4.979 ( 11.171 6.450 1.029) 12.940 5.557 ( 15.766 9.103 0.767) 18.221 6.636 ( 5.382 3.107 -1.415) 6.374 7.546 ( 6.935 4.004 -7.206) 10.773 7.823 ( 4.567 2.637 -8.201) 9.751 11.223 ( -12.742 -7.356 -0.155) 14.713 11.491 ( -13.765 -7.947 1.887) 16.006 12.731 ( -16.631 -9.602 -5.019) 19.849 14.340 ( 4.719 2.725 0.709) 5.495 15.954 ( -0.079 -0.046 -5.019) 5.020 16.397 ( 1.793 1.035 12.684) 12.852======================= Grid point 819 (139/213) =======================q-point: ( 0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( 4.967 2.868 0.307) 5.743 2.783 ( 5.692 3.286 -0.723) 6.612 3.601 ( 6.022 3.477 -1.111) 7.042 3.721 ( 6.943 4.009 -0.929) 8.071 5.189 ( 7.514 4.338 -1.421) 8.792 5.891 ( 12.689 7.326 3.363) 15.033 6.749 ( 4.295 2.480 -1.613) 5.215 7.661 ( 3.936 2.272 -6.909) 8.270 7.953 ( 5.259 3.037 -4.999) 7.866 10.957 ( -10.215 -5.898 0.466) 11.805 11.286 ( -4.231 -2.443 -0.526) 4.914 12.343 ( -16.967 -9.796 -2.564) 19.759 14.443 ( 4.151 2.396 0.496) 4.818 15.941 ( -0.866 -0.500 -2.430) 2.628 16.431 ( 1.414 0.817 7.533) 7.708======================= Grid point 820 (140/213) =======================q-point: ( 0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( 2.968 1.714 -2.282) 4.117 2.904 ( 4.759 2.747 -4.198) 6.915 3.682 ( 1.503 0.868 1.896) 2.570 3.842 ( 3.385 1.954 0.878) 4.006 5.321 ( 3.899 2.251 -1.573) 4.769 6.109 ( 6.092 3.517 4.720) 8.472 6.825 ( 2.259 1.304 -1.642) 3.083 7.733 ( 2.265 1.308 -6.565) 7.066 8.024 ( 0.607 0.351 0.162) 0.720 10.772 ( -5.695 -3.288 0.988) 6.650 11.282 ( 3.056 1.764 -1.812) 3.966 11.984 ( -13.511 -7.801 -1.729) 15.697 14.521 ( 2.530 1.461 0.253) 2.932 15.916 ( -1.350 -0.780 0.270) 1.582 16.473 ( 2.521 1.455 1.951) 3.504======================= Grid point 821 (141/213) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.619 ( 0.881 0.509 -3.788) 3.923 2.988 ( 2.175 1.256 -7.369) 7.785 3.692 ( -0.075 -0.043 3.547) 3.548 3.869 ( -1.084 -0.626 2.225) 2.553 5.358 ( -0.827 -0.477 -1.027) 1.402 6.160 ( -1.722 -0.994 6.271) 6.579 6.848 ( -0.254 -0.146 -1.479) 1.508 7.756 ( -0.405 -0.234 -6.374) 6.391 7.978 ( -4.465 -2.578 5.159) 7.294 10.706 ( -0.042 -0.024 1.199) 1.200 11.341 ( -0.452 -0.261 -1.765) 1.840 11.811 ( 0.806 0.465 -2.244) 2.429 14.553 ( 0.280 0.162 0.004) 0.323 15.880 ( -1.770 -1.022 2.409) 3.159 16.552 ( 4.308 2.487 -2.775) 5.696======================= Grid point 823 (142/213) =======================q-point: (-0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( -1.329 -0.767 -4.027) 4.310 2.984 ( -2.724 -1.573 -7.384) 8.026 3.697 ( 0.544 0.314 0.918) 1.113 3.793 ( -5.475 -3.161 3.003) 6.999 5.282 ( -5.744 -3.316 -0.063) 6.632 6.033 ( -9.240 -5.335 8.264) 13.496 6.814 ( -2.648 -1.529 -1.202) 3.285 7.708 ( -3.933 -2.271 -5.374) 7.036 7.838 ( -7.183 -4.147 7.212) 10.991 10.770 ( 5.491 3.170 1.095) 6.434 11.277 ( -2.629 -1.518 -1.524) 3.397 12.002 ( 13.220 7.633 -2.421) 15.456 14.534 ( -1.948 -1.124 -0.265) 2.264 15.839 ( -1.713 -0.989 3.577) 4.087 16.662 ( 5.081 2.933 -5.721) 8.195======================= Grid point 824 (143/213) =======================q-point: (-0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( -3.780 -2.182 -2.723) 5.145 2.869 ( -7.003 -4.043 -3.055) 8.645 3.629 ( -8.586 -4.957 2.903) 10.331 3.692 ( -1.955 -1.129 -7.006) 7.360 5.114 ( -8.206 -4.738 1.758) 9.637 5.747 ( -15.607 -9.011 10.190) 20.702 6.732 ( -4.438 -2.562 -0.923) 5.207 7.588 ( -5.736 -3.312 -1.250) 6.740 7.671 ( -7.577 -4.375 3.309) 9.354 10.946 ( 9.704 5.603 0.889) 11.241 11.290 ( 4.483 2.588 -0.612) 5.213 12.337 ( 15.348 8.861 -2.249) 17.865 14.470 ( -3.505 -2.023 -0.581) 4.088 15.804 ( -1.415 -0.817 4.202) 4.508 16.769 ( 4.026 2.324 -7.119) 8.502======================= Grid point 825 (144/213) =======================q-point: (-0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.440 ( -6.441 -3.719 0.487) 7.453 2.679 ( -9.449 -5.455 3.396) 11.427 3.418 ( -9.562 -5.521 1.363) 11.125 3.566 ( -9.559 -5.519 -15.344) 18.902 4.947 ( -5.858 -3.382 2.690) 7.279 5.333 ( -20.433 -11.797 11.507) 26.251 6.619 ( -5.334 -3.079 -0.694) 6.198 7.462 ( -8.467 -4.889 -4.179) 10.633 7.514 ( -2.209 -1.275 4.410) 5.095 11.197 ( 11.907 6.875 0.895) 13.778 11.498 ( 13.942 8.049 1.709) 16.189 12.675 ( 13.849 7.996 -2.509) 16.188 14.382 ( -4.016 -2.319 -0.989) 4.742 15.770 ( -1.751 -1.011 4.746) 5.159 16.833 ( 1.386 0.800 -7.510) 7.679======================= Grid point 826 (145/213) =======================q-point: (-0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( -8.657 -4.998 5.429) 11.375 2.441 ( -11.471 -6.623 11.293) 17.406 3.208 ( -8.561 -4.943 -1.704) 10.031 3.278 ( -14.506 -8.375 -18.792) 25.173 4.772 ( -18.829 -10.871 6.882) 22.805 4.905 ( -7.898 -4.560 4.385) 10.119 6.496 ( -5.266 -3.041 -0.505) 6.102 7.217 ( -12.233 -7.063 -3.983) 14.676 7.589 ( 8.718 5.033 2.419) 10.353 11.473 ( 12.042 6.952 1.321) 13.967 11.928 ( 23.637 13.647 5.053) 27.757 12.952 ( 10.118 5.841 -3.736) 12.266 14.294 ( -3.550 -2.050 -1.514) 4.370 15.710 ( -3.977 -2.296 5.217) 6.951 16.828 ( -1.781 -1.029 -7.131) 7.422======================= Grid point 827 (146/213) =======================q-point: (-0.19 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( -9.305 -5.372 10.788) 15.226 2.159 ( -12.907 -7.452 18.634) 23.861 2.960 ( -12.462 -7.195 -15.584) 21.212 3.034 ( -6.605 -3.813 -5.168) 9.213 4.222 ( -25.727 -14.854 11.790) 31.962 4.834 ( -1.958 -1.130 -7.193) 7.540 6.385 ( -4.392 -2.536 -0.354) 5.084 6.916 ( -13.891 -8.020 -4.231) 16.588 7.933 ( 21.897 12.642 3.187) 25.485 11.733 ( 10.507 6.066 2.102) 12.313 12.553 ( 30.067 17.359 9.408) 35.970 13.121 ( 4.513 2.606 -7.418) 9.065 14.224 ( -2.573 -1.486 -2.089) 3.632 15.565 ( -9.331 -5.387 4.678) 11.747 16.765 ( -3.157 -1.823 -5.361) 6.483======================= Grid point 828 (147/213) =======================q-point: (-0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -7.948 -4.589 15.204) 17.759 1.881 ( -10.760 -6.212 22.134) 25.383 2.733 ( -7.102 -4.100 -5.393) 9.815 2.909 ( -4.368 -2.522 -7.806) 9.294 3.642 ( -24.539 -14.168 12.639) 31.026 4.792 ( -1.713 -0.989 -15.522) 15.647 6.300 ( -3.022 -1.745 -0.262) 3.500 6.600 ( -13.288 -7.672 -3.459) 15.728 8.601 ( 36.642 21.155 5.422) 42.657 11.944 ( 7.874 4.546 2.881) 9.538 13.008 ( -3.873 -2.236 7.021) 8.325 13.348 ( 25.981 15.000 -6.926) 30.789 14.176 ( -1.673 -0.966 -2.513) 3.170 15.275 ( -15.505 -8.952 2.096) 18.026 16.721 ( 0.119 0.069 -1.501) 1.507======================= Grid point 829 (148/213) =======================q-point: (-0.06 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -5.243 -3.027 21.222) 22.068 1.708 ( -4.881 -2.818 18.142) 18.997 2.653 ( 0.413 0.239 8.784) 8.797 2.837 ( -1.963 -1.134 -9.306) 9.579 3.133 ( -19.351 -11.173 11.370) 25.071 4.759 ( -1.104 -0.637 -21.798) 21.835 6.248 ( -1.466 -0.846 -0.249) 1.711 6.340 ( -8.779 -5.068 -1.593) 10.261 9.557 ( 44.205 25.522 5.047) 51.292 12.087 ( 4.612 2.663 3.200) 6.212 12.630 ( -26.302 -15.185 -0.323) 30.372 13.904 ( 18.347 10.593 -1.508) 21.239 14.145 ( -1.170 -0.676 -2.538) 2.875 14.934 ( -12.067 -6.967 -0.060) 13.934 16.783 ( 4.682 2.703 1.085) 5.514======================= Grid point 831 (149/213) =======================q-point: ( 0.06 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 2.906 8.541 17.626) 19.800 1.838 ( 6.426 8.545 20.939) 23.510 2.676 ( 1.287 4.778 -2.074) 5.366 2.912 ( 4.548 3.798 -8.711) 10.535 3.481 ( 12.421 23.679 13.163) 29.803 4.798 ( 2.877 2.023 -17.907) 18.249 6.288 ( 1.959 2.711 -0.406) 3.370 6.526 ( 7.945 12.676 -3.414) 15.344 8.859 ( -20.645 -39.806 4.743) 45.091 12.017 ( -1.684 -7.949 2.017) 8.372 12.869 ( -3.051 10.867 5.098) 12.385 13.629 ( -2.475 -26.451 -6.946) 27.459 14.143 ( -1.471 2.088 -2.342) 3.466 15.207 ( 12.356 17.521 0.285) 21.441 16.656 ( -8.707 -2.739 3.028) 9.617======================= Grid point 832 (150/213) =======================q-point: ( 0.12 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 5.098 10.628 13.871) 18.203 2.082 ( 10.548 10.293 19.631) 24.548 2.793 ( 5.270 7.157 -11.224) 14.317 3.056 ( 6.459 6.117 -7.778) 11.816 3.976 ( 17.948 21.827 12.212) 30.785 4.900 ( 6.281 2.927 -12.411) 14.215 6.366 ( 3.199 4.021 -0.631) 5.177 6.832 ( 12.559 12.300 -5.807) 18.514 8.220 ( -16.139 -23.123 0.092) 28.198 11.862 ( -6.182 -9.779 0.495) 11.580 12.654 ( -19.475 -10.506 11.760) 25.059 13.375 ( -1.234 -19.241 -13.817) 23.720 14.151 ( 0.167 2.439 -1.220) 2.733 15.611 ( 14.051 13.676 -0.765) 19.623 16.483 ( -9.265 0.832 7.263) 11.802======================= Grid point 833 (151/213) =======================q-point: ( 0.19 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( 5.105 12.317 9.629) 16.447 2.363 ( 9.807 9.249 14.233) 19.604 2.997 ( 9.737 8.072 -13.409) 18.433 3.249 ( 7.647 8.064 -6.178) 12.715 4.482 ( 17.122 17.636 9.320) 26.288 5.076 ( 10.580 4.027 -7.057) 13.340 6.474 ( 4.027 5.203 -0.877) 6.637 7.169 ( 13.157 9.999 -7.313) 18.071 7.861 ( -6.613 -10.616 -4.825) 13.406 11.621 ( -9.562 -10.935 -0.355) 14.531 12.146 ( -22.167 -14.555 7.658) 27.602 13.148 ( -6.199 -15.519 -10.128) 19.541 14.203 ( 2.680 3.021 -0.074) 4.039 15.899 ( 6.514 7.799 -4.202) 10.996 16.378 ( -4.236 1.764 12.183) 13.019======================= Grid point 834 (152/213) =======================q-point: ( 0.25 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( 3.291 13.852 5.499) 15.263 2.580 ( 6.448 6.685 6.655) 11.427 3.266 ( 11.878 6.997 -8.445) 16.167 3.468 ( 7.672 9.232 -4.235) 12.728 4.870 ( 11.227 11.114 3.592) 16.200 5.355 ( 16.050 5.977 -1.084) 17.161 6.601 ( 4.180 5.941 -1.144) 7.354 7.450 ( 9.579 5.880 -7.113) 13.301 7.770 ( 2.525 -1.504 -7.495) 8.050 11.337 ( -10.671 -10.459 -0.566) 14.953 11.672 ( -17.612 -10.752 3.516) 20.933 12.850 ( -11.070 -14.566 -5.889) 19.220 14.298 ( 4.129 4.014 0.463) 5.778 15.994 ( -1.269 4.239 -6.321) 7.716 16.369 ( 1.157 0.382 13.804) 13.858======================= Grid point 835 (153/213) =======================q-point: ( 0.31 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 0.179 14.817 2.186) 14.979 2.732 ( 5.104 5.135 1.163) 7.333 3.503 ( 9.063 3.599 -2.911) 10.177 3.679 ( 5.954 9.197 -2.224) 11.180 5.109 ( 7.553 6.365 -0.683) 9.901 5.699 ( 16.356 5.029 2.647) 17.316 6.727 ( 3.365 6.024 -1.376) 7.036 7.607 ( 5.123 2.497 -6.233) 8.446 7.878 ( 6.906 2.900 -6.638) 10.008 11.068 ( -10.013 -7.817 -0.316) 12.707 11.357 ( -9.084 -5.946 0.810) 10.888 12.493 ( -13.898 -13.790 -3.010) 19.808 14.413 ( 3.885 4.964 0.555) 6.328 15.982 ( -3.004 2.197 -4.451) 5.802 16.398 ( 2.193 -0.926 10.098) 10.375======================= Grid point 836 (154/213) =======================q-point: ( 0.38 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( -2.778 13.696 0.062) 13.975 2.866 ( 4.421 5.467 -2.927) 7.616 3.639 ( 4.491 0.618 0.787) 4.601 3.839 ( 2.675 7.608 -0.331) 8.071 5.267 ( 5.277 3.300 -1.724) 6.458 5.976 ( 11.782 1.100 3.979) 12.485 6.827 ( 1.534 5.416 -1.485) 5.821 7.702 ( 3.430 2.022 -5.710) 6.961 7.998 ( 3.560 1.551 -2.533) 4.636 10.850 ( -7.725 -4.793 0.352) 9.098 11.252 ( 0.480 -1.162 -1.071) 1.651 12.123 ( -13.700 -12.024 -1.591) 18.297 14.518 ( 2.123 5.351 0.418) 5.772 15.947 ( -2.627 0.625 -1.644) 3.162 16.429 ( 2.879 -1.014 4.795) 5.684======================= Grid point 837 (155/213) =======================q-point: ( 0.44 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( -4.601 11.352 -1.325) 12.321 2.980 ( 2.163 5.364 -6.561) 8.747 3.683 ( 1.168 -0.446 3.126) 3.367 3.914 ( -1.390 5.310 1.153) 5.609 5.347 ( 1.769 0.225 -1.398) 2.266 6.109 ( 4.943 -3.517 5.096) 7.922 6.880 ( -1.000 4.274 -1.418) 4.613 7.759 ( 1.038 1.313 -5.470) 5.721 8.015 ( -1.943 -1.113 2.586) 3.420 10.724 ( -2.942 -1.634 0.795) 3.458 11.307 ( 3.971 0.374 -1.692) 4.333 11.834 ( -6.737 -6.902 -1.567) 9.771 14.583 ( -0.569 4.844 0.159) 4.880 15.905 ( -2.268 -0.518 1.086) 2.568 16.485 ( 4.614 -0.274 -0.452) 4.644======================= Grid point 838 (156/213) =======================q-point: (-0.50 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.723 ( -6.164 9.173 -2.168) 11.262 3.025 ( -1.996 2.426 -8.039) 8.631 3.691 ( 0.286 0.073 2.879) 2.894 3.895 ( -5.760 3.487 1.876) 6.990 5.326 ( -2.858 -2.726 -0.597) 3.994 6.074 ( -2.680 -7.463 6.724) 10.396 6.876 ( -3.650 2.880 -1.210) 4.804 7.757 ( -2.323 0.360 -5.605) 6.077 7.915 ( -6.487 -3.561 6.643) 9.945 10.723 ( 2.765 1.617 0.853) 3.315 11.299 ( -2.540 -3.443 -1.370) 4.493 11.849 ( 10.137 2.856 -2.155) 10.749 14.591 ( -3.316 3.400 -0.151) 4.752 15.862 ( -1.919 -0.707 2.885) 3.536 16.579 ( 6.165 0.157 -4.212) 7.468======================= Grid point 839 (157/213) =======================q-point: (-0.44 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( -7.978 7.075 -2.044) 10.857 2.956 ( -6.413 -1.279 -5.259) 8.392 3.674 ( -2.487 -2.444 0.170) 3.490 3.806 ( -8.016 4.123 -0.789) 9.048 5.202 ( -6.944 -4.356 0.904) 8.246 5.876 ( -10.046 -10.068 8.651) 16.647 6.815 ( -5.823 1.518 -0.963) 6.094 7.682 ( -6.597 -0.199 -4.215) 7.831 7.749 ( -7.180 -4.764 6.450) 10.764 10.844 ( 7.743 4.137 0.607) 8.799 11.250 ( 1.279 -0.908 -0.957) 1.838 12.134 ( 16.266 5.469 -2.005) 17.277 14.540 ( -5.206 1.359 -0.473) 5.401 15.829 ( -1.609 0.259 3.810) 4.144 16.687 ( 6.282 -0.569 -6.190) 8.837======================= Grid point 840 (158/213) =======================q-point: (-0.38 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.588 ( -10.112 4.758 -0.320) 11.180 2.796 ( -9.241 -3.235 0.011) 9.791 3.533 ( -8.786 -4.438 0.411) 9.852 3.698 ( -9.422 0.888 -10.052) 13.806 5.035 ( -7.408 -2.649 2.753) 8.335 5.540 ( -16.601 -11.328 10.204) 22.540 6.712 ( -7.105 0.422 -0.754) 7.157 7.558 ( -6.477 0.241 -1.308) 6.612 7.581 ( -7.575 -4.422 2.074) 9.013 11.054 ( 11.155 4.842 0.303) 12.164 11.359 ( 9.803 4.540 0.711) 10.826 12.472 ( 16.718 4.692 -2.022) 17.481 14.448 ( -5.692 -0.613 -0.845) 5.787 15.811 ( -1.963 1.849 4.425) 5.182 16.769 ( 4.735 -2.532 -6.863) 8.714======================= Grid point 841 (159/213) =======================q-point: (-0.31 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( -12.170 2.203 3.404) 12.828 2.585 ( -11.282 -3.931 6.652) 13.674 3.322 ( -10.126 -4.748 -3.089) 11.602 3.470 ( -14.815 -3.727 -14.469) 21.041 4.918 ( -5.975 0.726 1.572) 6.221 5.099 ( -20.998 -11.240 11.073) 26.265 6.588 ( -7.326 -0.243 -0.592) 7.354 7.368 ( -11.529 -4.070 -3.949) 12.848 7.534 ( 1.942 2.870 2.098) 4.051 11.311 ( 13.281 4.516 0.518) 14.038 11.677 ( 19.050 9.640 3.461) 21.629 12.779 ( 14.511 2.688 -2.824) 15.025 14.343 ( -4.852 -1.916 -1.335) 5.385 15.789 ( -3.918 3.182 5.018) 7.117 16.790 ( 2.128 -5.269 -6.612) 8.719======================= Grid point 842 (160/213) =======================q-point: (-0.25 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -13.063 -0.145 8.355) 15.507 2.332 ( -13.613 -4.067 14.248) 20.121 3.083 ( -11.347 -7.367 -13.438) 19.068 3.192 ( -12.916 -0.548 -7.961) 15.182 4.555 ( -26.394 -9.394 10.906) 30.064 4.884 ( -3.650 1.520 -3.100) 5.025 6.464 ( -6.570 -0.437 -0.468) 6.601 7.105 ( -14.530 -3.772 -4.697) 15.730 7.712 ( 13.969 6.686 1.431) 15.553 11.583 ( 13.060 4.180 1.158) 13.761 12.191 ( 28.103 11.617 7.174) 31.244 13.010 ( 10.265 0.856 -5.342) 11.603 14.251 ( -3.266 -2.330 -1.928) 4.451 15.719 ( -8.706 3.336 5.088) 10.621 16.741 ( -0.009 -7.757 -5.168) 9.321======================= Grid point 843 (161/213) =======================q-point: (-0.19 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( -11.955 -2.155 13.227) 17.959 2.056 ( -14.121 -2.139 19.779) 24.396 2.832 ( -9.683 -4.782 -11.879) 16.054 3.017 ( -8.591 1.151 -6.973) 11.125 4.000 ( -28.331 -6.828 12.228) 31.604 4.841 ( -3.609 1.826 -10.978) 11.700 6.360 ( -5.113 -0.220 -0.397) 5.133 6.808 ( -16.195 -2.400 -4.645) 17.018 8.156 ( 29.345 8.419 2.809) 30.658 11.828 ( 10.833 3.499 1.821) 11.529 12.788 ( 26.674 2.141 13.821) 30.118 13.176 ( 9.235 6.939 -12.789) 17.234 14.187 ( -1.763 -2.135 -2.426) 3.681 15.532 ( -16.703 1.909 3.197) 17.113 16.663 ( 1.222 -8.177 -1.429) 8.390======================= Grid point 848 (162/213) =======================q-point: ( 0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 5.551 14.079 10.425) 18.377 2.306 ( 8.749 11.967 14.975) 21.072 2.975 ( 3.477 11.194 -14.767) 18.854 3.209 ( 7.334 9.399 -6.361) 13.513 4.438 ( 11.778 24.224 10.825) 29.029 4.952 ( 7.155 2.187 -6.517) 9.922 6.465 ( 3.725 5.934 -0.576) 7.030 7.084 ( 9.381 12.696 -6.092) 16.920 7.825 ( -4.400 -15.864 -1.305) 16.515 11.636 ( -6.065 -12.723 0.381) 14.099 12.304 ( -15.586 -23.243 8.888) 29.363 13.052 ( -2.182 -13.214 -8.352) 15.784 14.210 ( 0.438 3.755 -1.689) 4.140 15.819 ( 10.560 6.859 2.654) 12.869 16.545 ( -9.913 4.610 1.290) 11.008======================= Grid point 849 (163/213) =======================q-point: ( 0.19 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.449 ( 5.247 15.624 6.248) 17.626 2.558 ( 6.670 10.902 9.902) 16.168 3.170 ( 7.264 9.105 -11.886) 16.641 3.444 ( 7.629 11.735 -5.376) 14.994 4.833 ( 8.922 17.041 6.715) 20.374 5.146 ( 13.182 3.245 -1.861) 13.702 6.599 ( 4.099 7.281 -0.738) 8.388 7.354 ( 9.208 8.409 -6.459) 14.043 7.700 ( 1.882 -5.013 -4.490) 6.988 11.384 ( -8.208 -12.553 -0.569) 15.009 11.836 ( -15.540 -16.399 4.722) 23.081 12.839 ( -6.161 -15.296 -5.054) 17.247 14.283 ( 2.803 5.239 -0.603) 5.973 16.004 ( 5.435 2.412 -0.636) 5.980 16.433 ( -7.346 3.506 5.547) 9.850======================= Grid point 850 (164/213) =======================q-point: ( 0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.684 ( 5.039 13.266 1.019) 14.228 2.744 ( 0.807 14.622 6.603) 16.064 3.382 ( 8.840 4.575 -5.677) 11.459 3.687 ( 6.194 12.659 -3.963) 14.639 5.071 ( 5.325 8.827 0.704) 10.333 5.453 ( 16.780 3.945 2.783) 17.460 6.742 ( 3.464 8.157 -0.888) 8.906 7.540 ( 5.894 3.458 -4.770) 8.333 7.780 ( 7.475 2.427 -6.190) 10.004 11.132 ( -7.795 -9.785 -1.124) 12.561 11.466 ( -11.922 -10.220 2.085) 15.841 12.547 ( -9.815 -15.696 -2.597) 18.693 14.403 ( 4.034 6.751 0.151) 7.866 16.056 ( -1.160 1.420 -4.756) 5.097 16.373 ( -1.843 0.209 9.143) 9.329======================= Grid point 851 (165/213) =======================q-point: ( 0.31 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.840 ( 1.896 6.734 1.415) 7.138 2.918 ( -1.887 22.065 0.007) 22.146 3.545 ( 6.969 0.712 -0.400) 7.017 3.888 ( 3.012 11.644 -2.269) 12.239 5.219 ( 4.480 4.594 -1.543) 6.599 5.747 ( 14.674 -0.366 3.655) 15.127 6.870 ( 1.748 8.336 -0.982) 8.574 7.654 ( 4.561 2.286 -3.571) 6.228 7.935 ( 6.199 2.992 -4.254) 8.091 10.925 ( -7.159 -6.603 -0.940) 9.784 11.252 ( -3.858 -4.505 0.249) 5.937 12.208 ( -11.684 -14.647 -1.064) 18.766 14.540 ( 3.167 7.898 0.445) 8.521 16.018 ( -3.998 1.140 -4.351) 6.018 16.365 ( 1.881 -2.214 7.199) 7.763======================= Grid point 852 (166/213) =======================q-point: ( 0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( -2.040 8.617 1.904) 9.057 3.076 ( -3.447 18.164 -5.159) 19.194 3.637 ( 3.868 -0.299 3.008) 4.909 4.012 ( -0.988 9.798 -0.856) 9.885 5.312 ( 2.768 1.102 -1.806) 3.483 5.931 ( 10.085 -5.628 3.873) 12.181 6.959 ( -0.878 7.775 -0.978) 7.885 7.738 ( 2.976 1.294 -3.062) 4.461 8.023 ( 1.106 1.393 -0.082) 1.781 10.766 ( -4.795 -3.777 -0.290) 6.111 11.237 ( 3.618 -0.341 -0.970) 3.761 11.886 ( -9.603 -11.567 -0.598) 15.045 14.653 ( 0.374 8.129 0.339) 8.145 15.955 ( -3.880 0.159 -1.352) 4.112 16.394 ( 4.251 -2.534 2.319) 5.465======================= Grid point 853 (167/213) =======================q-point: ( 0.44 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( -5.027 9.430 1.319) 10.768 3.141 ( -6.134 11.098 -6.899) 14.436 3.685 ( 1.272 1.437 3.576) 4.058 4.048 ( -5.098 8.199 -0.226) 9.657 5.328 ( -0.410 -2.061 -1.104) 2.374 5.977 ( 4.021 -9.603 4.660) 11.406 6.989 ( -3.896 6.556 -0.885) 7.678 7.775 ( 0.601 -0.216 -2.912) 2.981 7.995 ( -4.931 -0.246 3.796) 6.228 10.704 ( 0.221 -0.595 0.003) 0.635 11.287 ( 0.683 -2.324 -0.887) 2.580 11.730 ( 3.029 -3.432 -1.161) 4.722 14.703 ( -3.396 6.899 -0.033) 7.690 15.896 ( -2.797 -0.261 1.386) 3.132 16.461 ( 6.256 -2.251 -2.009) 6.945======================= Grid point 855 (168/213) =======================q-point: (-0.50 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.924 ( -7.878 9.060 0.365) 12.011 3.088 ( -8.833 4.621 -4.591) 10.975 3.698 ( -1.663 0.599 1.308) 2.199 4.008 ( -8.441 7.664 -1.645) 11.519 5.258 ( -4.179 -3.752 0.348) 5.627 5.882 ( -2.847 -11.332 6.093) 13.177 6.955 ( -6.603 4.871 -0.747) 8.240 7.752 ( -2.177 -1.937 -2.390) 3.769 7.864 ( -9.285 -0.499 4.870) 10.497 10.762 ( 5.519 2.158 -0.112) 5.927 11.229 ( -1.221 -3.213 -0.649) 3.498 11.904 ( 14.730 2.420 -1.290) 14.983 14.671 ( -6.639 4.209 -0.419) 7.872 15.861 ( -1.517 0.932 2.938) 3.435 16.553 ( 7.119 -2.816 -4.488) 8.874======================= Grid point 856 (169/213) =======================q-point: (-0.44 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.846 ( -10.488 6.874 -0.095) 12.541 2.947 ( -11.105 2.149 -0.302) 11.315 3.618 ( -6.063 -3.412 -0.655) 6.988 3.910 ( -11.136 5.349 -6.340) 13.886 5.133 ( -6.289 -1.892 2.360) 6.978 5.661 ( -10.006 -10.972 7.600) 16.681 6.864 ( -8.397 3.042 -0.626) 8.952 7.655 ( -5.699 -4.093 1.954) 7.283 7.705 ( -9.125 2.110 -0.895) 9.408 10.919 ( 9.152 3.035 -0.603) 9.661 11.250 ( 5.996 0.955 0.304) 6.079 12.212 ( 17.417 2.526 -1.173) 17.638 14.569 ( -8.056 1.129 -0.716) 8.166 15.862 ( -0.958 3.238 3.711) 5.017 16.635 ( 6.375 -4.671 -5.317) 9.526======================= Grid point 857 (170/213) =======================q-point: (-0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( -12.741 3.481 1.609) 13.306 2.759 ( -12.932 1.565 4.340) 13.730 3.441 ( -9.094 -5.219 -4.091) 11.255 3.712 ( -15.180 0.248 -9.712) 18.023 5.033 ( -5.524 2.690 2.545) 6.651 5.329 ( -16.954 -9.172 8.732) 21.162 6.736 ( -8.982 1.491 -0.559) 9.122 7.507 ( -7.767 -2.555 -1.271) 8.274 7.595 ( -5.916 3.225 -1.174) 6.839 11.124 ( 11.960 2.272 -0.730) 12.196 11.462 ( 14.824 5.109 2.199) 15.833 12.527 ( 16.805 1.269 -1.707) 16.939 14.433 ( -7.481 -1.044 -1.045) 7.626 15.884 ( -1.828 5.434 4.259) 7.142 16.668 ( 4.286 -7.457 -4.893) 9.896======================= Grid point 858 (171/213) =======================q-point: (-0.31 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.480 ( -15.218 0.666 6.036) 16.385 2.540 ( -13.538 0.358 9.192) 16.367 3.215 ( -11.085 -5.323 -11.128) 16.584 3.435 ( -15.580 -0.143 -7.820) 17.433 4.909 ( -22.601 -6.634 9.688) 25.469 4.988 ( -5.189 5.559 -0.917) 7.659 6.595 ( -8.427 0.525 -0.547) 8.461 7.320 ( -12.369 -0.491 -5.148) 13.407 7.611 ( 3.897 4.580 -0.839) 6.071 11.373 ( 14.462 1.835 -0.140) 14.578 11.838 ( 22.689 5.133 4.783) 23.749 12.804 ( 14.393 0.846 -3.654) 14.873 14.304 ( -5.612 -1.801 -1.445) 6.069 15.891 ( -4.907 6.512 4.379) 9.255 16.632 ( 1.794 -10.182 -3.060) 10.783======================= Grid point 866 (172/213) =======================q-point: ( 0.19 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.697 ( 4.811 9.807 1.947) 11.095 2.832 ( 10.005 15.499 8.225) 20.198 3.346 ( 1.987 8.804 -7.968) 12.040 3.706 ( 7.369 14.308 -6.539) 17.372 5.090 ( 3.549 6.498 1.391) 7.534 5.254 ( 11.393 10.098 5.721) 16.263 6.754 ( 4.894 8.242 -0.520) 9.600 7.492 ( 4.436 5.618 -3.157) 7.823 7.677 ( 7.079 2.480 -3.811) 8.414 11.148 ( -6.074 -10.918 -1.195) 12.550 11.522 ( -8.348 -14.847 2.571) 17.226 12.542 ( -7.998 -15.030 -1.883) 17.129 14.411 ( 3.375 7.670 -0.652) 8.405 16.004 ( 5.580 -1.846 1.912) 6.180 16.495 ( -9.207 2.246 0.049) 9.477======================= Grid point 867 (173/213) =======================q-point: ( 0.25 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.855 ( 3.573 7.822 -0.126) 8.600 3.150 ( 5.130 21.328 7.240) 23.100 3.450 ( 3.385 2.837 -4.104) 6.029 3.951 ( 4.725 13.718 -5.174) 15.404 5.205 ( 3.331 4.495 -0.408) 5.609 5.512 ( 11.494 2.098 4.531) 12.532 6.916 ( 3.594 9.217 -0.421) 9.902 7.603 ( 3.996 3.091 -1.354) 5.230 7.851 ( 7.789 4.574 -4.077) 9.910 10.959 ( -5.323 -7.866 -1.752) 9.658 11.280 ( -5.839 -8.060 1.128) 10.016 12.239 ( -9.581 -15.347 -0.478) 18.099 14.562 ( 4.166 9.142 -0.006) 10.046 16.047 ( 1.672 -1.965 -1.976) 3.250 16.375 ( -5.589 -0.291 3.560) 6.633======================= Grid point 868 (174/213) =======================q-point: ( 0.31 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( 1.790 7.145 -0.335) 7.373 3.381 ( -5.341 21.710 0.350) 22.360 3.544 ( 7.342 1.077 4.233) 8.543 4.129 ( 0.705 12.534 -4.087) 13.202 5.285 ( 2.088 2.000 -1.649) 3.328 5.683 ( 10.713 -6.030 3.357) 12.744 7.049 ( 0.878 9.642 -0.310) 9.687 7.688 ( 3.581 0.695 -0.895) 3.756 8.004 ( 4.377 4.137 -1.102) 6.123 10.803 ( -4.813 -5.898 -1.496) 7.758 11.189 ( 0.797 -1.648 -0.011) 1.831 11.926 ( -9.621 -13.749 0.249) 16.783 14.717 ( 2.616 9.673 0.232) 10.023 16.024 ( -2.817 -0.440 -3.494) 4.510 16.312 ( 0.552 -3.163 4.071) 5.185======================= Grid point 869 (175/213) =======================q-point: ( 0.38 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.055 ( -0.594 6.816 -0.316) 6.849 3.402 ( -7.388 8.217 -1.956) 11.222 3.702 ( 1.639 11.036 6.830) 13.082 4.222 ( -3.601 11.535 -3.736) 12.648 5.310 ( 0.274 -1.173 -1.661) 2.052 5.760 ( 8.441 -11.353 2.875) 14.436 7.127 ( -2.802 9.078 -0.260) 9.504 7.735 ( 2.554 -1.986 -0.670) 3.304 8.067 ( -1.407 3.185 2.297) 4.172 10.698 ( -1.620 -3.124 -1.145) 3.701 11.238 ( 3.476 0.494 -0.349) 3.528 11.678 ( -3.987 -9.269 0.119) 10.091 14.824 ( -1.232 8.651 -0.001) 8.739 15.957 ( -4.201 0.267 -0.829) 4.290 16.329 ( 5.167 -4.026 0.421) 6.564======================= Grid point 870 (176/213) =======================q-point: (-0.56 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.079 ( -3.793 5.104 -1.432) 6.518 3.329 ( -8.587 5.899 1.099) 10.476 3.775 ( -4.361 7.467 4.406) 9.705 4.236 ( -7.548 10.515 -4.837) 13.818 5.274 ( -1.814 -3.004 -0.206) 3.515 5.751 ( 4.248 -12.463 3.275) 13.568 7.128 ( -6.448 7.133 -0.261) 9.619 7.735 ( 0.716 -3.537 -0.053) 3.609 8.020 ( -7.070 2.508 3.455) 8.259 10.696 ( 3.335 -0.227 -1.057) 3.506 11.231 ( -2.540 -2.849 -0.076) 3.818 11.690 ( 10.793 -1.018 -0.321) 10.846 14.834 ( -6.049 5.718 -0.412) 8.334 15.906 ( -2.447 1.568 1.488) 3.265 16.395 ( 7.031 -4.344 -2.453) 8.621======================= Grid point 871 (177/213) =======================q-point: (-0.50 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( -7.094 1.050 -2.510) 7.597 3.235 ( -11.390 9.166 4.521) 15.303 3.700 ( -7.552 -1.069 1.439) 7.762 4.163 ( -11.171 6.521 -7.115) 14.763 5.205 ( -3.564 -0.576 1.899) 4.079 5.659 ( -1.953 -10.189 4.336) 11.244 7.051 ( -8.961 4.224 -0.257) 9.910 7.688 ( -2.327 -3.342 1.106) 4.220 7.896 ( -9.709 2.908 0.988) 10.183 10.799 ( 7.458 1.340 -1.306) 7.689 11.184 ( 1.213 -1.303 0.172) 1.789 11.938 ( 16.443 0.957 -0.190) 16.472 14.737 ( -9.327 2.080 -0.572) 9.573 15.908 ( -0.527 3.835 2.367) 4.538 16.469 ( 6.901 -5.548 -3.347) 9.466======================= Grid point 872 (178/213) =======================q-point: (-0.44 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( -9.027 -0.961 -0.978) 9.131 3.092 ( -16.509 8.536 6.541) 19.703 3.527 ( -7.582 -5.910 -2.921) 10.047 3.977 ( -14.608 0.838 -7.917) 16.637 5.152 ( -4.510 3.598 2.234) 6.186 5.483 ( -9.372 -5.635 5.716) 12.339 6.915 ( -9.919 1.599 -0.323) 10.052 7.596 ( -5.204 -1.442 0.786) 5.457 7.767 ( -9.027 3.892 -2.711) 10.197 10.957 ( 9.467 0.911 -1.624) 9.649 11.277 ( 9.857 1.215 1.197) 10.003 12.240 ( 17.597 0.530 -0.480) 17.611 14.576 ( -9.857 -0.326 -0.590) 9.880 15.954 ( 0.012 5.575 2.486) 6.104 16.510 ( 5.213 -7.504 -2.569) 9.491======================= Grid point 883 (179/213) =======================q-point: ( 0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.008 ( 2.858 7.578 -1.319) 8.206 3.407 ( 10.289 1.993 4.915) 11.576 3.620 ( 0.363 16.345 2.790) 16.585 4.212 ( 5.036 12.273 -7.859) 15.419 5.250 ( 4.393 0.396 0.877) 4.497 5.538 ( 0.203 0.453 3.094) 3.134 7.096 ( 4.909 8.740 0.034) 10.024 7.653 ( 1.169 1.645 0.553) 2.092 7.957 ( 6.820 5.992 -0.449) 9.090 10.813 ( -3.905 -7.012 -1.927) 8.254 11.174 ( -1.109 -2.219 0.468) 2.525 11.943 ( -8.746 -14.501 0.461) 16.940 14.750 ( 4.714 9.416 -0.254) 10.534 15.997 ( 3.438 -2.564 -0.104) 4.290 16.353 ( -7.367 -2.050 -0.046) 7.647======================= Grid point 884 (180/213) =======================q-point: ( 0.31 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.119 ( 1.329 7.354 -0.814) 7.517 3.461 ( 0.342 -3.402 -0.267) 3.429 3.854 ( 2.321 18.581 11.373) 21.908 4.385 ( 0.137 13.599 -8.477) 16.026 5.300 ( 0.993 -0.426 -1.060) 1.513 5.518 ( 4.124 -10.249 1.780) 11.190 7.242 ( 1.120 9.659 0.314) 9.729 7.668 ( 1.481 -2.751 0.307) 3.139 8.097 ( 2.733 4.895 2.553) 6.161 10.695 ( -2.568 -4.748 -1.951) 5.740 11.195 ( 2.899 2.323 0.161) 3.718 11.671 ( -7.100 -12.000 0.814) 13.967 14.903 ( 2.172 8.488 -0.282) 8.766 16.014 ( -0.471 -0.137 -1.852) 1.916 16.239 ( -1.318 -4.245 1.359) 4.648======================= Grid point 885 (181/213) =======================q-point: ( 0.38 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.185 ( -2.181 6.023 -1.011) 6.485 3.415 ( -0.963 -2.740 0.407) 2.933 3.986 ( -5.525 12.150 12.373) 18.200 4.473 ( -6.194 13.454 -9.285) 17.481 5.273 ( -1.573 -2.218 -0.918) 2.870 5.509 ( 8.339 -12.905 1.068) 15.402 7.305 ( -4.784 8.545 0.325) 9.798 7.662 ( 2.678 -4.933 0.510) 5.637 8.136 ( -2.843 3.240 4.198) 6.017 10.647 ( 1.045 -1.929 -1.925) 2.919 11.257 ( -1.144 1.298 0.369) 1.769 11.526 ( 3.944 -5.934 0.549) 7.146 14.970 ( -2.870 5.565 -0.587) 6.289 15.979 ( -3.733 2.243 -0.089) 4.356 16.236 ( 5.634 -5.185 -0.599) 7.681======================= Grid point 887 (182/213) =======================q-point: (-0.56 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.141 ( -6.545 0.832 -1.898) 6.865 3.403 ( -0.887 3.034 2.395) 3.966 3.898 ( -13.188 2.943 9.655) 16.607 4.414 ( -11.419 5.091 -9.927) 15.964 5.245 ( -0.835 1.416 1.272) 2.079 5.531 ( 5.922 -8.244 1.187) 10.219 7.245 ( -8.904 3.716 0.230) 9.650 7.665 ( 1.619 -2.515 0.789) 3.093 8.073 ( -7.272 2.315 3.112) 8.242 10.694 ( 5.321 -0.024 -1.886) 5.645 11.191 ( -3.451 -0.980 0.305) 3.600 11.677 ( 14.061 -0.455 0.568) 14.080 14.910 ( -8.103 1.765 -0.588) 8.314 15.962 ( -1.486 3.829 0.719) 4.170 16.297 ( 6.786 -5.113 -1.430) 8.617======================= Grid point 901 (183/213) =======================q-point: ( 0.31 0.31 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.254 ( 2.595 5.804 -0.780) 6.406 3.379 ( -1.432 -4.303 0.159) 4.538 4.105 ( 3.364 6.296 15.153) 16.751 4.641 ( 4.729 9.788 -11.317) 15.692 5.271 ( 2.904 -2.387 0.172) 3.763 5.329 ( -6.978 -6.289 -0.606) 9.413 7.417 ( 4.165 7.408 0.605) 8.520 7.586 ( -2.761 -4.996 0.686) 5.749 8.174 ( 1.623 2.384 4.816) 5.613 10.627 ( -1.050 -1.854 -2.267) 3.111 11.277 ( 3.420 5.626 0.570) 6.608 11.459 ( -5.375 -8.951 0.828) 10.473 15.026 ( 1.862 3.412 -0.832) 3.975 16.034 ( 2.917 2.354 -0.380) 3.768 16.150 ( -4.141 -4.417 -0.203) 6.058======================= Grid point 1084 (184/213) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 111Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -0.000 0.000 0.000) 0.000 1.858 ( -0.000 -0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 -0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 -0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 -0.000 0.000) 0.000 14.100 ( 0.000 -0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.789 ( 0.000 -0.000 0.000) 0.000 16.864 ( 0.000 -0.000 0.000) 0.000======================= Grid point 1086 (185/213) =======================q-point: ( 0.06 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 3.409 1.968 1.018) 4.066 1.947 ( 7.652 4.418 -0.999) 8.892 2.633 ( -3.912 -2.258 0.880) 4.602 2.733 ( 3.018 1.742 -1.010) 3.628 3.369 ( 15.840 9.145 0.283) 18.293 4.485 ( 4.109 2.373 -0.264) 4.753 6.247 ( 1.536 0.887 -0.134) 1.778 6.325 ( 8.050 4.648 0.025) 9.295 9.607 ( -42.511 -24.544 -0.291) 49.088 12.132 ( -4.169 -2.407 -1.131) 4.945 12.611 ( 24.460 14.122 1.832) 28.304 13.912 ( -16.185 -9.344 -2.358) 18.837 14.107 ( 0.641 0.370 1.091) 1.318 14.935 ( 12.655 7.306 -0.128) 14.613 16.785 ( -5.863 -3.385 0.840) 6.822======================= Grid point 1088 (186/213) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 5.707 3.295 1.848) 6.844 2.196 ( 13.879 8.013 -2.198) 16.176 2.568 ( -1.507 -0.870 2.533) 3.073 2.837 ( 6.068 3.504 -2.057) 7.303 3.814 ( 22.177 12.804 1.147) 25.633 4.615 ( 7.024 4.055 -1.883) 8.327 6.299 ( 3.046 1.758 -0.251) 3.526 6.573 ( 13.039 7.528 -0.491) 15.064 8.670 ( -36.426 -21.031 -1.754) 42.098 11.992 ( -8.015 -4.627 -1.788) 9.426 12.957 ( 2.677 1.545 9.413) 9.907 13.425 ( -22.798 -13.163 -11.710) 28.812 14.132 ( 1.614 0.932 1.780) 2.578 15.310 ( 17.846 10.304 -1.656) 20.674 16.658 ( -4.232 -2.443 4.903) 6.922======================= Grid point 1090 (187/213) =======================q-point: ( 0.19 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 6.504 3.755 2.482) 7.909 2.540 ( 8.687 5.015 -18.994) 21.480 2.591 ( 10.572 6.103 20.712) 24.042 3.007 ( 8.768 5.062 -3.052) 10.575 4.337 ( 22.618 13.059 3.161) 26.308 4.798 ( 9.141 5.277 -5.842) 12.064 6.385 ( 4.376 2.527 -0.349) 5.065 6.891 ( 14.351 8.285 -1.601) 16.648 8.006 ( -21.522 -12.426 -4.121) 25.191 11.773 ( -11.027 -6.366 -1.794) 12.858 12.587 ( -27.880 -16.097 6.110) 32.768 13.141 ( -6.349 -3.665 -9.498) 11.998 14.183 ( 2.872 1.658 1.918) 3.831 15.650 ( 10.899 6.293 -4.246) 13.283 16.613 ( 0.092 0.053 10.071) 10.071======================= Grid point 1092 (188/213) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( 6.032 3.483 2.817) 7.513 2.615 ( 3.448 1.991 -1.054) 4.119 2.994 ( 18.312 10.572 4.704) 21.662 3.229 ( 10.405 6.007 -3.641) 12.554 4.765 ( 13.107 7.567 4.292) 15.732 5.078 ( 16.817 9.709 -9.442) 21.592 6.495 ( 5.224 3.016 -0.436) 6.047 7.205 ( 12.778 7.377 -2.753) 15.009 7.681 ( -7.475 -4.316 -6.498) 10.803 11.501 ( -12.595 -7.272 -1.332) 14.604 11.970 ( -24.418 -14.098 1.066) 28.216 12.952 ( -10.634 -6.139 -3.888) 12.880 14.262 ( 3.988 2.303 1.644) 4.890 15.809 ( 3.846 2.220 -5.158) 6.806 16.635 ( 1.141 0.659 12.327) 12.397======================= Grid point 1094 (189/213) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( 4.778 2.759 2.659) 6.125 2.707 ( 4.435 2.561 1.487) 5.333 3.369 ( 13.828 7.984 3.676) 16.386 3.469 ( 10.346 5.973 -3.473) 12.441 4.982 ( 7.803 4.505 -0.834) 9.049 5.507 ( 18.769 10.836 -5.885) 22.457 6.617 ( 5.253 3.033 -0.496) 6.086 7.445 ( 7.536 4.351 -2.453) 9.040 7.649 ( 4.437 2.562 -8.719) 10.113 11.214 ( -12.242 -7.068 -0.749) 14.155 11.513 ( -15.214 -8.784 0.228) 17.569 12.664 ( -14.327 -8.272 -1.502) 16.612 14.359 ( 4.433 2.560 1.205) 5.259 15.860 ( 1.174 0.678 -4.547) 4.744 16.642 ( -0.730 -0.421 11.634) 11.665======================= Grid point 1096 (190/213) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 3.203 1.849 2.015) 4.212 2.807 ( 4.095 2.364 2.760) 5.475 3.606 ( 7.010 4.047 1.975) 8.332 3.686 ( 8.357 4.825 -2.595) 9.993 5.153 ( 7.181 4.146 -2.080) 8.549 5.888 ( 14.174 8.183 -3.787) 16.799 6.727 ( 4.281 2.472 -0.470) 4.965 7.571 ( 4.483 2.588 -1.723) 5.455 7.814 ( 8.091 4.671 -8.466) 12.608 10.958 ( -9.786 -5.650 -0.308) 11.304 11.282 ( -5.142 -2.969 0.158) 5.940 12.315 ( -15.808 -9.127 -0.140) 18.254 14.456 ( 3.854 2.225 0.764) 4.515 15.880 ( 0.743 0.429 -3.541) 3.643 16.604 ( -2.346 -1.355 9.245) 9.634======================= Grid point 1098 (191/213) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 1.584 0.915 1.069) 2.119 2.884 ( 2.464 1.422 2.275) 3.643 3.706 ( 2.265 1.308 0.332) 2.637 3.837 ( 4.679 2.702 -1.345) 5.568 5.292 ( 4.574 2.641 -1.148) 5.405 6.138 ( 7.526 4.345 -2.025) 8.923 6.805 ( 2.404 1.388 -0.298) 2.792 7.656 ( 2.773 1.601 -0.708) 3.279 7.971 ( 5.130 2.962 -5.343) 7.977 10.782 ( -5.460 -3.152 -0.083) 6.305 11.262 ( 2.638 1.523 -0.130) 3.049 11.971 ( -13.404 -7.739 0.486) 15.485 14.527 ( 2.248 1.298 0.368) 2.621 15.896 ( 0.652 0.376 -2.103) 2.233 16.549 ( -2.110 -1.218 5.305) 5.838======================= Grid point 1100 (192/213) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000======================= Grid point 1120 (193/213) =======================q-point: ( 0.06 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 3.510 6.080 0.000) 7.021 2.108 ( 6.760 11.708 0.000) 13.519 2.578 ( -1.362 -2.359 0.000) 2.724 2.805 ( 3.194 5.533 0.000) 6.389 3.680 ( 12.093 20.946 0.000) 24.186 4.573 ( 3.645 6.313 0.000) 7.290 6.284 ( 1.636 2.834 0.000) 3.273 6.494 ( 6.883 11.922 0.000) 13.767 8.903 ( -22.940 -39.733 0.000) 45.880 12.038 ( -4.084 -7.074 0.000) 8.168 12.927 ( 7.131 12.351 0.000) 14.262 13.555 ( -14.870 -25.755 0.000) 29.739 14.119 ( 0.551 0.954 0.000) 1.101 15.209 ( 10.915 18.906 0.000) 21.830 16.685 ( -3.227 -5.590 0.000) 6.455======================= Grid point 1122 (194/213) =======================q-point: ( 0.12 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 4.388 8.553 1.441) 9.721 2.401 ( 13.043 12.536 -3.529) 18.431 2.559 ( 0.560 0.411 3.910) 3.971 2.949 ( 5.834 7.755 -1.448) 9.812 4.149 ( 17.721 20.213 1.214) 26.909 4.722 ( 6.124 6.495 -2.232) 9.201 6.358 ( 2.915 4.127 -0.165) 5.055 6.770 ( 10.855 11.910 -0.632) 16.127 8.201 ( -20.355 -23.653 -1.747) 31.254 11.857 ( -7.661 -9.053 -0.981) 11.900 12.883 ( -24.156 -14.649 10.403) 30.105 13.108 ( 0.796 -12.615 -12.141) 17.526 14.151 ( 2.073 1.243 1.069) 2.643 15.581 ( 10.139 15.354 -2.015) 18.510 16.602 ( -0.966 -2.849 4.689) 5.571======================= Grid point 1124 (195/213) =======================q-point: ( 0.19 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 3.527 10.363 2.250) 11.175 2.591 ( 2.188 2.901 -3.750) 5.222 2.796 ( 17.103 11.856 5.602) 21.551 3.152 ( 7.771 9.499 -2.520) 12.529 4.634 ( 15.418 16.224 4.350) 22.800 4.919 ( 10.726 6.750 -7.508) 14.729 6.462 ( 3.746 5.317 -0.279) 6.510 7.077 ( 11.768 10.125 -1.790) 15.627 7.769 ( -10.495 -10.386 -4.175) 15.344 11.606 ( -10.033 -10.404 -1.086) 14.495 12.249 ( -25.563 -18.037 1.754) 31.336 12.996 ( -4.102 -9.997 -4.246) 11.610 14.217 ( 3.679 2.189 1.412) 4.508 15.812 ( 2.826 9.057 -4.518) 10.509 16.595 ( 2.245 -1.879 9.532) 9.971======================= Grid point 1126 (196/213) =======================q-point: ( 0.25 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 1.679 11.637 2.174) 11.957 2.674 ( 3.222 4.176 0.068) 5.275 3.194 ( 16.026 9.261 3.714) 18.878 3.393 ( 8.471 10.579 -2.630) 13.805 4.920 ( 6.186 7.891 1.292) 10.109 5.278 ( 19.276 9.901 -6.749) 22.697 6.586 ( 3.897 6.096 -0.360) 7.244 7.352 ( 9.681 7.232 -2.349) 12.310 7.625 ( -0.293 -0.846 -6.667) 6.727 11.324 ( -10.543 -10.238 -0.734) 14.715 11.711 ( -19.264 -12.076 0.177) 22.737 12.769 ( -9.465 -11.654 -1.959) 15.141 14.316 ( 4.387 3.568 1.292) 5.801 15.886 ( -1.126 4.733 -5.002) 6.978 16.614 ( 1.987 -2.637 11.046) 11.529======================= Grid point 1128 (197/213) =======================q-point: ( 0.31 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( -0.887 12.729 1.352) 12.831 2.775 ( 3.378 4.415 2.252) 5.998 3.495 ( 10.666 4.966 2.394) 12.007 3.634 ( 7.005 10.364 -1.738) 12.629 5.082 ( 6.038 5.331 -1.994) 8.298 5.685 ( 17.554 6.770 -4.188) 19.275 6.709 ( 3.135 6.253 -0.389) 7.006 7.529 ( 4.820 4.452 -1.295) 6.688 7.721 ( 7.638 4.367 -8.617) 12.316 11.060 ( -9.472 -7.918 -0.378) 12.351 11.366 ( -10.147 -6.421 0.068) 12.008 12.457 ( -12.841 -12.230 -0.549) 17.742 14.429 ( 3.745 4.790 0.983) 6.159 15.895 ( -1.313 2.364 -4.287) 5.069 16.600 ( 0.000 -3.593 9.956) 10.584======================= Grid point 1130 (198/213) =======================q-point: ( 0.38 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( -3.730 13.361 0.483) 13.880 2.867 ( 2.419 3.796 2.972) 5.393 3.660 ( 4.966 1.810 1.185) 5.417 3.820 ( 3.746 8.283 -1.371) 9.193 5.230 ( 5.742 3.342 -1.837) 6.893 5.991 ( 12.818 1.921 -2.653) 13.230 6.808 ( 1.429 5.720 -0.318) 5.905 7.636 ( 2.958 3.914 -0.547) 4.936 7.898 ( 7.113 3.816 -7.173) 10.799 10.852 ( -7.136 -4.988 -0.165) 8.708 11.241 ( -0.355 -1.394 -0.025) 1.439 12.110 ( -13.368 -11.282 0.322) 17.496 14.529 ( 1.804 5.283 0.617) 5.616 15.898 ( -0.328 1.061 -3.091) 3.284 16.552 ( -0.985 -3.744 7.125) 8.109======================= Grid point 1132 (199/213) =======================q-point: ( 0.44 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.705 ( -6.255 13.140 0.075) 14.553 2.924 ( 0.250 2.630 1.398) 2.989 3.718 ( 1.313 0.149 0.242) 1.344 3.921 ( -0.161 5.542 -0.553) 5.572 5.325 ( 2.669 0.594 -0.618) 2.804 6.152 ( 6.519 -2.969 -0.952) 7.226 6.865 ( -0.950 4.594 -0.125) 4.693 7.699 ( 0.478 2.566 -0.088) 2.612 8.013 ( 2.831 1.418 -2.810) 4.233 10.732 ( -2.579 -1.907 -0.041) 3.208 11.288 ( 3.976 0.675 -0.217) 4.039 11.822 ( -7.456 -6.890 0.429) 10.161 14.587 ( -0.926 4.717 0.213) 4.812 15.904 ( 0.122 0.272 -1.197) 1.233 16.508 ( 0.094 -2.833 2.660) 3.887======================= Grid point 1154 (200/213) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( 6.309 10.927 0.000) 12.617 2.593 ( 1.908 3.304 0.000) 3.815 2.689 ( 9.395 16.273 -0.000) 18.791 3.136 ( 6.329 10.962 0.000) 12.658 4.578 ( 12.923 22.383 -0.000) 25.846 4.859 ( 4.143 7.177 0.000) 8.287 6.459 ( 3.481 6.030 0.000) 6.963 7.023 ( 7.654 13.257 0.000) 15.307 7.811 ( -8.572 -14.847 0.000) 17.144 11.641 ( -7.274 -12.598 0.000) 14.547 12.405 ( -16.008 -27.727 0.000) 32.016 12.957 ( -4.139 -7.169 0.000) 8.278 14.193 ( 1.896 3.285 0.000) 3.793 15.845 ( 5.850 10.132 0.000) 11.700 16.557 ( -0.842 -1.458 0.000) 1.684======================= Grid point 1156 (201/213) =======================q-point: ( 0.19 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 3.909 12.728 1.257) 13.374 2.686 ( 2.450 7.787 -1.502) 8.301 3.030 ( 13.603 11.534 2.475) 18.005 3.374 ( 7.624 12.712 -0.972) 14.855 4.940 ( 3.265 13.069 3.998) 14.052 5.067 ( 15.766 9.315 -6.140) 19.314 6.590 ( 3.860 7.467 -0.108) 8.406 7.278 ( 8.328 9.923 -0.998) 12.993 7.629 ( -2.273 -3.395 -2.499) 4.789 11.375 ( -8.670 -12.529 -0.286) 15.239 11.887 ( -16.986 -18.179 0.073) 24.880 12.776 ( -6.087 -12.004 -0.985) 13.496 14.283 ( 3.919 4.725 0.628) 6.171 15.965 ( -0.521 5.691 -3.088) 6.496 16.546 ( 1.617 -2.795 5.459) 6.342======================= Grid point 1158 (202/213) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 2.786 10.972 0.752) 11.345 2.817 ( -0.128 13.715 -0.168) 13.717 3.349 ( 12.604 6.373 3.049) 14.449 3.634 ( 7.133 13.290 -0.715) 15.100 5.068 ( 2.515 6.963 -1.021) 7.474 5.450 ( 16.920 7.108 -3.255) 18.639 6.731 ( 3.205 8.486 -0.147) 9.072 7.487 ( 6.238 6.385 -0.433) 8.938 7.655 ( 4.568 3.840 -5.776) 8.305 11.119 ( -7.796 -9.996 -0.207) 12.679 11.486 ( -12.785 -10.856 -0.129) 16.773 12.515 ( -9.316 -13.762 -0.519) 16.626 14.413 ( 4.574 6.411 0.841) 7.920 15.969 ( -3.322 3.184 -4.318) 6.310 16.541 ( 1.651 -4.514 7.817) 9.176======================= Grid point 1160 (203/213) =======================q-point: ( 0.31 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.845 ( 2.339 8.624 -0.128) 8.937 2.937 ( -4.256 17.594 1.010) 18.129 3.574 ( 8.018 3.222 2.955) 9.132 3.857 ( 4.050 11.802 -0.378) 12.484 5.180 ( 3.977 4.312 -2.360) 6.323 5.761 ( 14.657 0.731 -2.304) 14.855 6.859 ( 1.492 8.794 -0.128) 8.921 7.623 ( 3.803 4.674 0.648) 6.060 7.817 ( 7.290 5.522 -7.258) 11.675 10.914 ( -6.620 -6.889 -0.162) 9.556 11.254 ( -4.721 -4.787 -0.082) 6.724 12.199 ( -11.350 -13.541 0.136) 17.669 14.553 ( 3.213 7.734 0.792) 8.413 15.937 ( -2.723 1.677 -3.947) 5.080 16.509 ( 0.530 -5.412 7.201) 9.023======================= Grid point 1162 (204/213) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.947 ( 0.803 6.140 -0.475) 6.210 3.014 ( -8.061 19.232 1.102) 20.882 3.690 ( 2.944 1.827 1.964) 3.983 3.998 ( 0.113 9.460 -0.405) 9.470 5.277 ( 3.634 1.292 -1.529) 4.148 5.958 ( 10.830 -5.290 -1.325) 12.126 6.948 ( -1.076 8.249 -0.074) 8.319 7.711 ( 1.871 2.952 0.546) 3.538 7.974 ( 4.617 4.248 -4.762) 7.876 10.762 ( -4.202 -4.177 -0.109) 5.926 11.225 ( 3.091 -0.210 -0.238) 3.108 11.885 ( -9.897 -11.089 0.528) 14.872 14.662 ( 0.060 7.966 0.508) 7.983 15.916 ( -1.205 0.786 -2.510) 2.893 16.463 ( 0.576 -5.173 4.420) 6.828======================= Grid point 1164 (205/213) =======================q-point: ( 0.44 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( -2.074 3.592 -0.000) 4.148 3.040 ( -11.023 19.093 0.000) 22.046 3.722 ( -0.454 0.786 0.000) 0.908 4.047 ( -4.005 6.938 0.000) 8.011 5.316 ( 0.799 -1.384 -0.000) 1.598 6.024 ( 5.613 -9.722 0.000) 11.226 6.980 ( -3.990 6.911 0.000) 7.980 7.742 ( -0.656 1.137 0.000) 1.313 8.037 ( -0.782 1.354 0.000) 1.563 10.703 ( 0.632 -1.094 0.000) 1.263 11.278 ( 0.964 -1.669 0.000) 1.927 11.718 ( 1.949 -3.377 0.000) 3.899 14.703 ( -3.812 6.603 0.000) 7.625 15.910 ( -0.325 0.563 0.000) 0.650 16.440 ( 2.331 -4.038 0.000) 4.663======================= Grid point 1190 (206/213) =======================q-point: ( 0.19 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( 4.251 7.364 0.000) 8.503 2.934 ( 8.844 15.318 -0.000) 17.688 3.243 ( 5.829 10.096 0.000) 11.658 3.640 ( 7.956 13.779 0.000) 15.911 5.104 ( 3.022 5.235 0.000) 6.045 5.312 ( 7.756 13.434 0.000) 15.512 6.749 ( 4.845 8.393 0.000) 9.691 7.460 ( 4.824 8.356 0.000) 9.648 7.637 ( 2.317 4.013 0.000) 4.634 11.135 ( -6.478 -11.220 0.000) 12.956 11.549 ( -9.048 -15.672 0.000) 18.097 12.522 ( -7.924 -13.725 0.000) 15.848 14.405 ( 4.291 7.432 0.000) 8.582 16.025 ( 0.311 0.539 0.000) 0.622 16.494 ( -1.400 -2.425 0.000) 2.800======================= Grid point 1192 (207/213) =======================q-point: ( 0.25 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 3.756 6.911 0.541) 7.884 3.200 ( -0.832 21.692 -3.212) 21.944 3.446 ( 10.589 3.720 4.208) 11.986 3.896 ( 6.034 12.791 0.138) 14.144 5.187 ( 1.171 4.929 -1.371) 5.249 5.550 ( 10.155 2.960 -0.819) 10.610 6.912 ( 3.536 9.538 0.016) 10.172 7.599 ( 3.872 4.622 0.514) 6.051 7.771 ( 5.721 7.837 -3.155) 10.203 10.940 ( -5.323 -8.082 -0.052) 9.677 11.290 ( -6.398 -8.422 -0.081) 10.577 12.235 ( -9.258 -14.472 0.030) 17.180 14.566 ( 4.800 8.829 0.400) 10.057 16.004 ( -2.712 0.523 -2.458) 3.697 16.446 ( -0.077 -4.940 3.677) 6.159======================= Grid point 1194 (208/213) =======================q-point: ( 0.31 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.980 ( 2.365 6.701 1.044) 7.182 3.326 ( -5.397 16.098 -4.452) 17.553 3.663 ( 6.132 9.032 5.373) 12.168 4.085 ( 2.137 10.850 0.365) 11.064 5.246 ( 1.541 2.326 -2.176) 3.538 5.710 ( 10.249 -5.817 -0.676) 11.804 7.047 ( 0.706 10.072 0.073) 10.097 7.687 ( 3.012 1.288 0.561) 3.324 7.951 ( 5.126 8.087 -3.675) 10.256 10.786 ( -4.428 -6.139 -0.106) 7.570 11.187 ( 0.210 -1.687 -0.157) 1.708 11.932 ( -9.531 -13.266 0.345) 16.339 14.726 ( 2.791 9.327 0.540) 9.750 15.961 ( -2.782 0.912 -2.949) 4.155 16.393 ( 0.536 -6.239 4.153) 7.514======================= Grid point 1196 (209/213) =======================q-point: ( 0.38 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.059 ( -0.802 5.858 0.674) 5.951 3.360 ( -5.588 10.818 -2.016) 12.342 3.801 ( -3.058 12.714 2.271) 13.272 4.181 ( -2.188 8.628 0.159) 8.903 5.282 ( 1.514 -0.629 -1.030) 1.937 5.787 ( 8.920 -11.695 -0.264) 14.710 7.125 ( -3.063 9.451 0.046) 9.935 7.729 ( 1.964 -1.293 0.189) 2.359 8.075 ( 0.646 5.788 -1.539) 6.024 10.685 ( -1.175 -3.553 -0.057) 3.742 11.233 ( 3.448 0.983 -0.224) 3.592 11.683 ( -4.652 -9.154 0.352) 10.274 14.827 ( -1.516 8.222 0.272) 8.365 15.935 ( -1.598 1.367 -1.378) 2.514 16.352 ( 2.042 -6.025 1.833) 6.620======================= Grid point 1224 (210/213) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 3.898 6.752 0.000) 7.797 3.456 ( 0.651 1.128 0.000) 1.303 3.660 ( 11.705 20.274 0.000) 23.410 4.122 ( 5.638 9.766 0.000) 11.276 5.258 ( 1.245 2.157 0.000) 2.491 5.570 ( -0.402 -0.697 0.000) 0.805 7.097 ( 5.116 8.860 0.000) 10.231 7.661 ( 0.968 1.677 0.000) 1.937 7.949 ( 5.480 9.492 0.000) 10.960 10.793 ( -4.027 -6.974 0.000) 8.053 11.179 ( -1.391 -2.408 0.000) 2.781 11.948 ( -8.293 -14.363 0.000) 16.586 14.748 ( 5.232 9.062 0.000) 10.464 15.998 ( -0.473 -0.819 0.000) 0.946 16.350 ( -2.720 -4.710 0.000) 5.439======================= Grid point 1226 (211/213) =======================q-point: ( 0.31 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( 2.002 6.935 0.554) 7.239 3.443 ( -1.361 -0.981 -1.548) 2.282 4.017 ( 3.364 22.562 1.398) 22.854 4.272 ( 1.527 7.776 0.619) 7.949 5.273 ( -0.753 0.537 -1.496) 1.758 5.540 ( 4.336 -11.028 0.360) 11.855 7.247 ( 1.117 9.847 0.079) 9.910 7.672 ( 1.234 -2.584 0.017) 2.863 8.114 ( 3.011 7.604 -0.803) 8.218 10.674 ( -2.467 -4.931 -0.042) 5.514 11.195 ( 2.671 2.562 -0.118) 3.703 11.681 ( -7.013 -11.997 0.195) 13.898 14.902 ( 2.325 7.982 0.202) 8.316 15.983 ( -1.548 1.567 -1.338) 2.578 16.267 ( -0.214 -6.454 1.532) 6.637======================= Grid point 1228 (212/213) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.175 ( -3.204 5.549 0.000) 6.407 3.419 ( 0.995 -1.723 0.000) 1.990 4.167 ( -11.406 19.755 -0.000) 22.811 4.324 ( -3.138 5.436 0.000) 6.277 5.263 ( 0.460 -0.797 -0.000) 0.921 5.520 ( 8.224 -14.245 0.000) 16.449 7.309 ( -5.030 8.712 0.000) 10.060 7.667 ( 2.648 -4.587 0.000) 5.297 8.180 ( -2.449 4.242 0.000) 4.898 10.626 ( 1.294 -2.241 0.000) 2.588 11.261 ( -0.976 1.690 0.000) 1.951 11.532 ( 3.403 -5.894 0.000) 6.806 14.965 ( -2.998 5.193 0.000) 5.996 15.978 ( -1.790 3.101 0.000) 3.581 16.230 ( 3.495 -6.053 0.000) 6.990======================= Grid point 1260 (213/213) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 8.27e-07 8.27e-07 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.246 ( 3.356 5.812 0.000) 6.712 3.381 ( -2.455 -4.252 0.000) 4.910 4.380 ( 1.666 2.885 -0.000) 3.331 4.405 ( 7.761 13.442 0.000) 15.522 5.273 ( -0.463 -0.802 0.000) 0.926 5.322 ( -4.690 -8.124 -0.000) 9.380 7.423 ( 4.296 7.441 0.000) 8.592 7.593 ( -2.838 -4.916 0.000) 5.677 8.225 ( 1.780 3.082 0.000) 3.559 10.603 ( -1.127 -1.952 0.000) 2.254 11.283 ( 3.388 5.869 0.000) 6.776 11.468 ( -5.242 -9.079 0.000) 10.483 15.018 ( 1.854 3.210 0.000) 3.707 16.031 ( 1.788 3.097 0.000) 3.576 16.147 ( -2.961 -5.129 0.000) 5.922=================== 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 3/30720 10.0 8967.853 8967.853 11152.158 -0.000 0.000 -0.000 3/30720 20.0 2038.010 2038.010 1833.489 -0.000 0.000 -0.000 3/30720 30.0 790.087 790.087 608.828 -0.000 0.000 -0.000 3/30720 40.0 416.523 416.523 296.832 -0.000 0.000 -0.000 3/30720 50.0 261.226 261.226 175.253 -0.000 0.000 -0.000 3/30720 60.0 182.713 182.713 116.893 -0.000 0.000 -0.000 3/30720 70.0 137.394 137.394 84.962 -0.000 0.000 -0.000 3/30720 80.0 108.576 108.576 65.634 -0.000 0.000 -0.000 3/30720 90.0 88.906 88.906 52.972 -0.000 0.000 -0.000 3/30720 100.0 74.766 74.766 44.155 -0.000 0.000 -0.000 3/30720 110.0 64.201 64.201 37.720 -0.000 0.000 -0.000 3/30720 120.0 56.066 56.066 32.848 -0.000 0.000 -0.000 3/30720 130.0 49.651 49.651 29.050 -0.000 0.000 -0.000 3/30720 140.0 44.489 44.489 26.017 -0.000 0.000 -0.000 3/30720 150.0 40.263 40.263 23.547 -0.000 0.000 -0.000 3/30720 160.0 36.751 36.751 21.501 -0.000 0.000 -0.000 3/30720 170.0 33.793 33.793 19.781 -0.000 0.000 -0.000 3/30720 180.0 31.273 31.273 18.317 -0.000 0.000 -0.000 3/30720 190.0 29.103 29.103 17.056 -0.000 0.000 -0.000 3/30720 200.0 27.217 27.217 15.961 -0.000 0.000 -0.000 3/30720 210.0 25.563 25.563 15.000 -0.000 0.000 -0.000 3/30720 220.0 24.103 24.103 14.151 -0.000 0.000 -0.000 3/30720 230.0 22.803 22.803 13.395 -0.000 0.000 -0.000 3/30720 240.0 21.640 21.640 12.718 -0.000 0.000 -0.000 3/30720 250.0 20.593 20.593 12.108 -0.000 0.000 -0.000 3/30720 260.0 19.645 19.645 11.555 -0.000 0.000 -0.000 3/30720 270.0 18.784 18.784 11.052 -0.000 0.000 -0.000 3/30720 280.0 17.997 17.997 10.593 -0.000 0.000 -0.000 3/30720 290.0 17.275 17.275 10.171 -0.000 0.000 -0.000 3/30720 300.0 16.611 16.611 9.783 -0.000 0.000 -0.000 3/30720 310.0 15.997 15.997 9.424 -0.000 0.000 -0.000 3/30720 320.0 15.429 15.429 9.092 -0.000 0.000 -0.000 3/30720 330.0 14.901 14.901 8.783 -0.000 0.000 -0.000 3/30720 340.0 14.409 14.409 8.495 -0.000 0.000 -0.000 3/30720 350.0 13.950 13.950 8.225 -0.000 0.000 -0.000 3/30720 360.0 13.520 13.520 7.973 -0.000 0.000 -0.000 3/30720 370.0 13.116 13.116 7.736 -0.000 0.000 -0.000 3/30720 380.0 12.737 12.737 7.514 -0.000 0.000 -0.000 3/30720 390.0 12.379 12.379 7.304 -0.000 0.000 -0.000 3/30720 400.0 12.042 12.042 7.106 -0.000 0.000 -0.000 3/30720 410.0 11.723 11.723 6.918 -0.000 0.000 -0.000 3/30720 420.0 11.421 11.421 6.741 -0.000 0.000 -0.000 3/30720 430.0 11.134 11.134 6.572 -0.000 0.000 -0.000 3/30720 440.0 10.862 10.862 6.412 -0.000 0.000 -0.000 3/30720 450.0 10.603 10.603 6.260 -0.000 0.000 -0.000 3/30720 460.0 10.357 10.357 6.115 -0.000 0.000 -0.000 3/30720 470.0 10.122 10.122 5.977 -0.000 0.000 -0.000 3/30720 480.0 9.898 9.898 5.845 -0.000 0.000 -0.000 3/30720 490.0 9.683 9.683 5.719 -0.000 0.000 -0.000 3/30720 500.0 9.478 9.478 5.598 -0.000 0.000 -0.000 3/30720 510.0 9.282 9.282 5.483 -0.000 0.000 -0.000 3/30720 520.0 9.094 9.094 5.372 -0.000 0.000 -0.000 3/30720 530.0 8.913 8.913 5.266 -0.000 0.000 -0.000 3/30720 540.0 8.740 8.740 5.163 -0.000 0.000 -0.000 3/30720 550.0 8.573 8.573 5.065 -0.000 0.000 -0.000 3/30720 560.0 8.413 8.413 4.971 -0.000 0.000 -0.000 3/30720 570.0 8.259 8.259 4.880 -0.000 0.000 -0.000 3/30720 580.0 8.110 8.110 4.792 -0.000 0.000 -0.000 3/30720 590.0 7.967 7.967 4.708 -0.000 0.000 -0.000 3/30720 600.0 7.829 7.829 4.626 -0.000 0.000 -0.000 3/30720 610.0 7.695 7.695 4.548 -0.000 0.000 -0.000 3/30720 620.0 7.567 7.567 4.472 -0.000 0.000 -0.000 3/30720 630.0 7.442 7.442 4.398 -0.000 0.000 -0.000 3/30720 640.0 7.322 7.322 4.327 -0.000 0.000 -0.000 3/30720 650.0 7.205 7.205 4.258 -0.000 0.000 -0.000 3/30720 660.0 7.092 7.092 4.192 -0.000 0.000 -0.000 3/30720 670.0 6.983 6.983 4.127 -0.000 0.000 -0.000 3/30720 680.0 6.877 6.877 4.065 -0.000 0.000 -0.000 3/30720 690.0 6.774 6.774 4.004 -0.000 0.000 -0.000 3/30720 700.0 6.674 6.674 3.945 -0.000 0.000 -0.000 3/30720 710.0 6.578 6.578 3.888 -0.000 0.000 -0.000 3/30720 720.0 6.484 6.484 3.833 -0.000 0.000 -0.000 3/30720 730.0 6.393 6.393 3.779 -0.000 0.000 -0.000 3/30720 740.0 6.304 6.304 3.727 -0.000 0.000 -0.000 3/30720 750.0 6.218 6.218 3.676 -0.000 0.000 -0.000 3/30720 760.0 6.134 6.134 3.626 -0.000 0.000 -0.000 3/30720 770.0 6.052 6.052 3.578 -0.000 0.000 -0.000 3/30720 780.0 5.973 5.973 3.531 -0.000 0.000 -0.000 3/30720 790.0 5.895 5.895 3.485 -0.000 0.000 -0.000 3/30720 800.0 5.820 5.820 3.441 -0.000 0.000 -0.000 3/30720 810.0 5.747 5.747 3.398 -0.000 0.000 -0.000 3/30720 820.0 5.675 5.675 3.355 -0.000 0.000 -0.000 3/30720 830.0 5.605 5.605 3.314 -0.000 0.000 -0.000 3/30720 840.0 5.537 5.537 3.274 -0.000 0.000 -0.000 3/30720 850.0 5.471 5.471 3.235 -0.000 0.000 -0.000 3/30720 860.0 5.406 5.406 3.196 -0.000 0.000 -0.000 3/30720 870.0 5.342 5.342 3.159 -0.000 0.000 -0.000 3/30720 880.0 5.281 5.281 3.122 -0.000 0.000 -0.000 3/30720 890.0 5.220 5.220 3.087 -0.000 0.000 -0.000 3/30720 900.0 5.161 5.161 3.052 -0.000 0.000 -0.000 3/30720 910.0 5.103 5.103 3.018 -0.000 0.000 -0.000 3/30720 920.0 5.047 5.047 2.984 -0.000 0.000 -0.000 3/30720 930.0 4.992 4.992 2.952 -0.000 0.000 -0.000 3/30720 940.0 4.938 4.938 2.920 -0.000 0.000 -0.000 3/30720 950.0 4.885 4.885 2.889 -0.000 0.000 -0.000 3/30720 960.0 4.833 4.833 2.858 -0.000 0.000 -0.000 3/30720 970.0 4.783 4.783 2.828 -0.000 0.000 -0.000 3/30720 980.0 4.733 4.733 2.799 -0.000 0.000 -0.000 3/30720 990.0 4.685 4.685 2.770 -0.000 0.000 -0.000 3/30720 1000.0 4.637 4.637 2.742 -0.000 0.000 -0.000 3/30720Thermal conductivity related properties were written into "kappa-m16168.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:10:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|