# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0b36d237-008b-48f3-9b34-af5d659a7631/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 ErTlSe2 / R-3m (166) / materials id 570117](https://mdr.nims.go.jp/datasets/f15ec9da-6147-4891-aebf-faf61b166480) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:49:04]-------------------------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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.031809935897103 1.173066013432346 7.609926809999990 b -2.031809935897099 1.173066013432346 7.609926809999990 c 0.000000000000002 -2.346132026864696 7.609926809999990Atomic positions (fractional): *1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 *2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 *3 Se 0.73549289666667 0.73549289666667 0.73549289666667 78.960 4 Se 0.26450710333333 0.26450710333333 0.26450710333333 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.063619871794202 0.000000000000000 0.000000000000000 b -2.031809935897101 3.519198040297042 0.000000000000000 c 0.000000000000000 0.000000000000000 22.829780429999996Atomic positions (fractional): *1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 2 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 1 3 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 1 *4 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 2 5 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 6 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 2 *7 Se 0.66666666666667 0.33333333333333 0.06882623000000 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.26450710333333 78.960 > 4 9 Se 0.33333333333333 0.66666666666667 0.40215956333333 78.960 > 3 10 Se 0.66666666666667 0.33333333333333 0.59784043666667 78.960 > 4 11 Se 0.00000000000000 0.00000000000000 0.73549289666667 78.960 > 3 12 Se 0.33333333333333 0.66666666666667 0.93117377000000 78.960 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.190859615382607 0.000000000000000 0.000000000000000 b -6.095429807691303 10.557594120891126 0.000000000000000 c 0.000000000000000 0.000000000000000 22.829780429999996Atomic positions (fractional): *1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 2 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 1 3 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 1 4 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 1 5 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 1 6 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 1 7 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 1 8 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 1 9 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 1 11 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 1 12 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 1 13 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 1 14 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 1 15 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 1 16 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 1 17 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 1 18 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 1 19 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 1 20 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 1 21 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 1 22 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 1 23 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 1 24 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 1 25 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 1 26 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 1 27 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 1 *28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 2 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 2 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 2 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 2 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 2 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 2 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 2 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 2 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 2 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 2 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 2 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 2 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 2 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 2 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 2 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 2 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 2 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 2 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 2 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 2 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 2 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 2 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 2 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 2 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 2 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 2 *55 Se 0.22222222222222 0.11111111111111 0.06882623000000 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.06882623000000 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.06882623000000 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.06882623000000 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.06882623000000 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.06882623000000 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.06882623000000 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.06882623000000 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.06882623000000 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.26450710333333 78.960 > 4 65 Se 0.33333333333333 0.00000000000000 0.26450710333333 78.960 > 4 66 Se 0.66666666666667 0.00000000000000 0.26450710333333 78.960 > 4 67 Se 0.00000000000000 0.33333333333333 0.26450710333333 78.960 > 4 68 Se 0.33333333333333 0.33333333333333 0.26450710333333 78.960 > 4 69 Se 0.66666666666667 0.33333333333333 0.26450710333333 78.960 > 4 70 Se 0.00000000000000 0.66666666666667 0.26450710333333 78.960 > 4 71 Se 0.33333333333333 0.66666666666667 0.26450710333333 78.960 > 4 72 Se 0.66666666666667 0.66666666666667 0.26450710333333 78.960 > 4 73 Se 0.11111111111111 0.22222222222222 0.40215956333333 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.40215956333333 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.40215956333333 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.40215956333333 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.40215956333333 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.40215956333333 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.40215956333333 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.40215956333333 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.40215956333333 78.960 > 3 82 Se 0.22222222222222 0.11111111111111 0.59784043666667 78.960 > 4 83 Se 0.55555555555556 0.11111111111111 0.59784043666667 78.960 > 4 84 Se 0.88888888888889 0.11111111111111 0.59784043666667 78.960 > 4 85 Se 0.22222222222222 0.44444444444444 0.59784043666667 78.960 > 4 86 Se 0.55555555555556 0.44444444444444 0.59784043666667 78.960 > 4 87 Se 0.88888888888889 0.44444444444444 0.59784043666667 78.960 > 4 88 Se 0.22222222222222 0.77777777777778 0.59784043666667 78.960 > 4 89 Se 0.55555555555556 0.77777777777778 0.59784043666667 78.960 > 4 90 Se 0.88888888888889 0.77777777777778 0.59784043666667 78.960 > 4 91 Se 0.00000000000000 0.00000000000000 0.73549289666667 78.960 > 3 92 Se 0.33333333333333 0.00000000000000 0.73549289666667 78.960 > 3 93 Se 0.66666666666667 0.00000000000000 0.73549289666667 78.960 > 3 94 Se 0.00000000000000 0.33333333333333 0.73549289666667 78.960 > 3 95 Se 0.33333333333333 0.33333333333333 0.73549289666667 78.960 > 3 96 Se 0.66666666666667 0.33333333333333 0.73549289666667 78.960 > 3 97 Se 0.00000000000000 0.66666666666667 0.73549289666667 78.960 > 3 98 Se 0.33333333333333 0.66666666666667 0.73549289666667 78.960 > 3 99 Se 0.66666666666667 0.66666666666667 0.73549289666667 78.960 > 3 100 Se 0.11111111111111 0.22222222222222 0.93117377000000 78.960 > 4 101 Se 0.44444444444444 0.22222222222222 0.93117377000000 78.960 > 4 102 Se 0.77777777777778 0.22222222222222 0.93117377000000 78.960 > 4 103 Se 0.11111111111111 0.55555555555556 0.93117377000000 78.960 > 4 104 Se 0.44444444444444 0.55555555555556 0.93117377000000 78.960 > 4 105 Se 0.77777777777778 0.55555555555556 0.93117377000000 78.960 > 4 106 Se 0.11111111111111 0.88888888888889 0.93117377000000 78.960 > 4 107 Se 0.44444444444444 0.88888888888889 0.93117377000000 78.960 > 4 108 Se 0.77777777777778 0.88888888888889 0.93117377000000 78.960 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.8270423 -0.0000000 0.0000000 0.0000000 8.8270423 0.0000000 0.0000000 0.0000000 9.3942033-------------------------- Born effective charges -------------------------- 1 Er 4.3974816 0.0000000 0.0000000 0.0000000 4.3974816 0.0000000 0.0000000 0.0000000 2.6676318 2 Tl 1.7376214 0.0000000 0.0000000 0.0000000 1.7376214 0.0000000 0.0000000 0.0000000 3.3036294 3 Se -3.0675515 -0.0000000 0.0000000 0.0000000 -3.0675515 0.0000000 0.0000000 0.0000000 -2.9856306 4 Se -3.0675515 -0.0000000 0.0000000 0.0000000 -3.0675515 0.0000000 0.0000000 0.0000000 -2.9856306----------------------------------------------------------------------------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: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 195Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.116Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.123--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 195Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:49:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:49:08]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.031809935897103 1.173066013432346 7.609926809999990 b -2.031809935897099 1.173066013432346 7.609926809999990 c 0.000000000000002 -2.346132026864696 7.609926809999990Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73549289666667 0.73549289666667 0.73549289666667 78.960 4 Se 0.26450710333333 0.26450710333333 0.26450710333333 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.190859615382607 0.000000000000000 0.000000000000000 b -6.095429807691303 10.557594120891126 0.000000000000000 c 0.000000000000000 0.000000000000000 22.829780429999996Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 2 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 1 3 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 1 4 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 1 5 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 1 6 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 1 7 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 1 8 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 1 9 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 1 11 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 1 12 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 1 13 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 1 14 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 1 15 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 1 16 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 1 17 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 1 18 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 1 19 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 1 20 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 1 21 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 1 22 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 1 23 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 1 24 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 1 25 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 1 26 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 1 27 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.06882623000000 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.06882623000000 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.06882623000000 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.06882623000000 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.06882623000000 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.06882623000000 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.06882623000000 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.06882623000000 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.06882623000000 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26450710333333 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26450710333333 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26450710333333 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26450710333333 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26450710333333 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26450710333333 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26450710333333 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26450710333333 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26450710333333 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40215956333333 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40215956333333 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40215956333333 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40215956333333 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40215956333333 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40215956333333 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40215956333333 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40215956333333 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40215956333333 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59784043666667 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59784043666667 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59784043666667 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59784043666667 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59784043666667 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59784043666667 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59784043666667 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59784043666667 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59784043666667 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73549289666667 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73549289666667 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73549289666667 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73549289666667 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73549289666667 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73549289666667 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73549289666667 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73549289666667 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73549289666667 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.93117377000000 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.93117377000000 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.93117377000000 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.93117377000000 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.93117377000000 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.93117377000000 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.93117377000000 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.93117377000000 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.93117377000000 78.960 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.8270423 -0.0000000 0.0000000 0.0000000 8.8270423 0.0000000 0.0000000 0.0000000 9.3942033-------------------------- Born effective charges -------------------------- 1 Er 4.3974816 0.0000000 0.0000000 0.0000000 4.3974816 0.0000000 0.0000000 0.0000000 2.6676318 2 Tl 1.7376214 0.0000000 0.0000000 0.0000000 1.7376214 0.0000000 0.0000000 0.0000000 3.3036294 3 Se -3.0675515 -0.0000000 0.0000000 0.0000000 -3.0675515 0.0000000 0.0000000 0.0000000 -2.9856306 4 Se -3.0675515 -0.0000000 0.0000000 0.0000000 -3.0675515 0.0000000 0.0000000 0.0000000 -2.9856306----------------------------------------------------------------------------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[ 28, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 18:49:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:49:13]-------------------------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 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.031809935897103 1.173066013432346 7.609926809999990 b -2.031809935897099 1.173066013432346 7.609926809999990 c 0.000000000000002 -2.346132026864696 7.609926809999990Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73549289666667 0.73549289666667 0.73549289666667 78.960 4 Se 0.26450710333333 0.26450710333333 0.26450710333333 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.190859615382607 0.000000000000000 0.000000000000000 b -6.095429807691303 10.557594120891126 0.000000000000000 c 0.000000000000000 0.000000000000000 22.829780429999996Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 2 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 1 3 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 1 4 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 1 5 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 1 6 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 1 7 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 1 8 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 1 9 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 1 11 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 1 12 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 1 13 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 1 14 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 1 15 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 1 16 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 1 17 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 1 18 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 1 19 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 1 20 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 1 21 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 1 22 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 1 23 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 1 24 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 1 25 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 1 26 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 1 27 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.06882623000000 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.06882623000000 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.06882623000000 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.06882623000000 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.06882623000000 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.06882623000000 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.06882623000000 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.06882623000000 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.06882623000000 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26450710333333 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26450710333333 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26450710333333 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26450710333333 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26450710333333 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26450710333333 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26450710333333 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26450710333333 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26450710333333 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40215956333333 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40215956333333 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40215956333333 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40215956333333 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40215956333333 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40215956333333 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40215956333333 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40215956333333 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40215956333333 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59784043666667 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59784043666667 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59784043666667 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59784043666667 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59784043666667 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59784043666667 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59784043666667 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59784043666667 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59784043666667 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73549289666667 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73549289666667 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73549289666667 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73549289666667 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73549289666667 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73549289666667 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73549289666667 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73549289666667 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73549289666667 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.93117377000000 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.93117377000000 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.93117377000000 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.93117377000000 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.93117377000000 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.93117377000000 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.93117377000000 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.93117377000000 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.93117377000000 78.960 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.8270423 -0.0000000 0.0000000 0.0000000 8.8270423 0.0000000 0.0000000 0.0000000 9.3942033-------------------------- Born effective charges -------------------------- 1 Er 4.3974816 0.0000000 0.0000000 0.0000000 4.3974816 0.0000000 0.0000000 0.0000000 2.6676318 2 Tl 1.7376214 0.0000000 0.0000000 0.0000000 1.7376214 0.0000000 0.0000000 0.0000000 3.3036294 3 Se -3.0675515 -0.0000000 0.0000000 0.0000000 -3.0675515 0.0000000 0.0000000 0.0000000 -2.9856306 4 Se -3.0675515 -0.0000000 0.0000000 0.0000000 -3.0675515 0.0000000 0.0000000 0.0000000 -2.9856306----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]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: 0.87, Number of G-points: 301, Lambda: 0.27Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating 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 1.334 ( 0.000 0.000 0.000) 0.000 1.334 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.276 ( 13.368 7.718 -9.895) 18.335 0.309 ( 14.767 8.526 -14.264) 22.231 0.678 ( 24.815 14.327 17.285) 33.463 1.347 ( 1.205 0.696 0.025) 1.392 1.450 ( 4.385 2.531 -1.717) 5.346 2.084 ( -0.642 -0.371 7.351) 7.388 3.725 ( 0.704 0.407 -0.077) 0.817 3.936 ( -0.640 -0.370 0.447) 0.864 3.962 ( 1.708 0.986 -0.572) 2.054 4.815 ( -0.825 -0.476 -18.159) 18.183 4.885 ( -3.118 -1.800 7.140) 7.996 5.514 ( -2.784 -1.608 2.286) 3.945======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( 13.402 7.737 -7.837) 17.346 0.595 ( 13.207 7.625 -13.548) 20.399 1.184 ( 12.234 7.063 9.724) 17.150 1.394 ( 2.890 1.668 0.044) 3.337 1.655 ( 14.957 8.636 1.764) 17.361 2.090 ( 0.042 0.024 0.729) 0.730 3.747 ( 1.176 0.679 -0.291) 1.389 3.919 ( -0.856 -0.494 0.774) 1.255 4.020 ( 3.303 1.907 0.087) 3.815 4.727 ( -3.957 -2.284 -4.652) 6.520 4.785 ( -6.739 -3.891 6.661) 10.243 5.435 ( -3.291 -1.900 -5.979) 7.085======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 10.960 6.327 -5.469) 13.786 0.838 ( 10.962 6.329 -12.590) 17.853 1.337 ( 1.732 1.000 1.021) 2.245 1.494 ( 5.969 3.446 -0.102) 6.893 2.068 ( 6.917 3.993 -2.480) 8.363 2.134 ( 13.644 7.877 4.842) 16.482 3.774 ( 1.163 0.672 -0.511) 1.437 3.906 ( -0.383 -0.221 0.834) 0.944 4.113 ( 4.188 2.418 1.426) 5.042 4.534 ( -12.266 -7.082 6.185) 15.455 4.688 ( -2.256 -1.303 -1.331) 2.925 5.328 ( -3.844 -2.219 -8.293) 9.406======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 6.200 3.580 -3.231) 7.855 1.033 ( 8.925 5.153 -10.842) 14.958 1.330 ( -1.282 -0.740 -2.804) 3.171 1.677 ( 9.375 5.413 -0.556) 10.840 2.094 ( 0.351 0.203 0.602) 0.726 2.563 ( 16.703 9.643 0.848) 19.306 3.795 ( 0.755 0.436 -0.272) 0.913 3.909 ( 0.465 0.268 0.373) 0.654 4.175 ( -5.177 -2.989 -2.892) 6.641 4.266 ( -5.676 -3.277 7.244) 9.770 4.656 ( -0.312 -0.180 0.592) 0.693 5.207 ( -4.235 -2.445 -7.483) 8.939======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 2.871 1.658 -1.639) 3.698 1.177 ( 3.883 2.242 -5.823) 7.349 1.313 ( 3.255 1.879 -4.828) 6.118 1.900 ( 9.124 5.268 -0.800) 10.566 2.087 ( -1.873 -1.082 3.405) 4.034 2.891 ( 11.185 6.458 -1.572) 13.011 3.809 ( 0.501 0.289 0.230) 0.622 3.883 ( -12.545 -7.243 -3.891) 14.999 3.925 ( 0.809 0.467 -0.226) 0.961 4.295 ( 0.994 0.574 2.691) 2.926 4.684 ( 2.426 1.401 1.969) 3.424 5.088 ( -4.202 -2.426 -4.958) 6.937======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 1.166 0.673 -0.670) 1.504 1.171 ( -1.088 -0.628 -1.841) 2.229 1.478 ( 9.565 5.522 -3.565) 11.606 2.011 ( -5.555 -3.207 3.698) 7.404 2.072 ( 5.368 3.099 -0.572) 6.225 3.078 ( 5.315 3.069 -1.511) 6.321 3.628 ( -7.445 -4.299 -4.049) 9.503 3.820 ( 0.318 0.184 0.341) 0.502 3.941 ( 0.541 0.312 -0.336) 0.710 4.306 ( -0.201 -0.116 0.726) 0.762 4.771 ( 4.109 2.373 1.534) 4.987 4.980 ( -4.069 -2.349 -2.145) 5.165======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.629 ( -0.000 -0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 -0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 -0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.861 ( -0.000 -0.000 -0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.400 ( -0.000 14.474 15.330) 21.083 0.426 ( -0.000 19.981 0.695) 19.993 0.590 ( -0.000 25.799 7.311) 26.815 1.343 ( 0.000 1.292 -0.876) 1.561 1.444 ( 0.000 5.639 -2.493) 6.165 2.120 ( -0.000 -4.224 13.376) 14.027 3.727 ( -0.000 0.907 0.481) 1.026 3.929 ( 0.000 -0.998 -0.966) 1.389 3.965 ( -0.000 2.043 0.036) 2.043 4.713 ( 0.000 2.444 -28.268) 28.373 4.899 ( -0.000 -1.963 3.080) 3.652 5.556 ( -0.000 -4.656 8.434) 9.633======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( -4.679 13.366 11.449) 18.211 0.697 ( 2.702 21.918 -10.106) 24.286 1.065 ( 15.152 12.565 12.019) 23.063 1.377 ( 1.932 2.659 -0.360) 3.307 1.564 ( 6.735 10.463 -0.630) 12.460 2.104 ( -1.105 -1.062 3.565) 3.880 3.739 ( 0.184 0.895 0.393) 0.995 3.917 ( 0.200 -1.240 -0.606) 1.394 4.003 ( 1.547 2.961 0.035) 3.341 4.675 ( 2.237 -3.361 -13.150) 13.756 4.857 ( -3.044 -4.904 5.704) 8.115 5.475 ( -5.051 -2.601 -0.755) 5.731======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 7.564 7.684 2.189) 11.002 0.915 ( 2.543 17.399 -8.876) 19.697 1.304 ( 3.763 1.621 2.102) 4.605 1.467 ( 3.284 5.688 0.590) 6.594 1.928 ( 15.529 15.418 1.420) 21.929 2.093 ( 0.764 0.598 0.526) 1.104 3.756 ( 0.832 0.400 0.373) 0.995 3.909 ( 0.213 -0.522 0.008) 0.564 4.080 ( 3.171 3.340 0.847) 4.683 4.628 ( -0.745 -4.619 -3.980) 6.143 4.722 ( -7.056 -5.977 5.469) 10.743 5.345 ( -4.905 -2.880 -6.677) 8.771======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( 10.101 4.000 -2.907) 11.246 1.075 ( 1.706 11.312 -6.212) 13.018 1.329 ( -0.282 -0.844 -2.346) 2.509 1.617 ( 5.736 8.601 -0.217) 10.341 2.075 ( 1.364 0.023 -1.412) 1.963 2.405 ( 15.352 14.020 2.071) 20.894 3.774 ( 0.973 -0.246 0.060) 1.006 3.917 ( 0.191 1.149 0.245) 1.190 4.170 ( 2.620 1.978 0.578) 3.333 4.445 ( -12.733 -4.690 4.934) 14.438 4.632 ( 0.822 -3.428 -1.042) 3.676 5.210 ( -3.638 -4.234 -7.790) 9.584======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 8.873 2.007 -3.980) 9.930 1.170 ( 0.889 5.674 -3.534) 6.743 1.298 ( -0.487 0.493 -3.870) 3.931 1.826 ( 7.121 8.845 -0.536) 11.368 2.096 ( 0.957 -0.273 1.618) 1.900 2.770 ( 11.478 10.301 -0.711) 15.439 3.779 ( 0.420 -1.752 -1.042) 2.081 3.933 ( -0.818 1.916 0.419) 2.125 4.087 ( -11.966 -1.255 -2.367) 12.263 4.305 ( -1.221 0.986 4.055) 4.349 4.641 ( 3.139 -1.444 0.677) 3.521 5.087 ( -2.454 -5.095 -5.807) 8.106======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 4.554 0.832 -2.694) 5.357 1.180 ( -1.064 -0.187 -1.400) 1.768 1.368 ( 6.352 5.157 -3.089) 8.746 1.985 ( 2.784 0.067 1.456) 3.142 2.123 ( -0.102 6.199 0.796) 6.250 3.008 ( 6.747 5.565 -1.108) 8.816 3.696 ( -5.803 -4.729 -4.105) 8.538 3.877 ( -4.932 2.611 1.970) 5.918 3.983 ( -2.357 5.004 -1.365) 5.697 4.308 ( -0.290 -0.502 0.853) 1.031 4.711 ( 4.745 0.263 1.052) 4.868 4.986 ( -1.802 -4.988 -2.714) 5.958======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 0.505 -0.422 -1.645) 1.772 1.172 ( 0.268 0.684 -0.090) 0.740 1.540 ( 7.663 1.483 -1.952) 8.045 1.937 ( -3.299 -3.875 1.938) 5.446 2.205 ( -1.750 9.030 -0.723) 9.227 3.120 ( 2.430 1.364 0.108) 2.789 3.562 ( -3.409 -0.272 -0.920) 3.542 3.859 ( -2.080 2.811 1.210) 3.701 3.994 ( -2.222 4.932 -0.572) 5.440 4.297 ( 0.102 -1.018 -0.221) 1.047 4.806 ( 5.312 0.383 0.227) 5.330 4.898 ( -2.358 -4.501 -0.759) 5.138======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 1.345 0.142 0.411) 1.414 1.172 ( -0.807 -0.090 0.216) 0.840 1.550 ( -3.675 -6.083 0.104) 7.108 1.918 ( 3.601 0.518 -2.007) 4.154 2.207 ( -6.689 6.160 -0.220) 9.096 3.126 ( -2.013 -1.324 1.476) 2.826 3.588 ( 3.322 3.903 4.407) 6.760 3.854 ( -1.917 2.646 0.185) 3.273 3.997 ( -2.874 4.721 0.190) 5.530 4.295 ( 0.700 -0.635 -0.661) 1.154 4.800 ( -3.392 -4.216 -1.165) 5.535 4.905 ( 5.786 -0.298 0.833) 5.854======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -2.473 -2.792 1.834) 4.156 1.194 ( 1.725 0.382 1.676) 2.435 1.398 ( -5.992 -3.644 3.143) 7.685 1.966 ( 0.839 -2.303 -2.584) 3.561 2.113 ( -7.391 3.358 -1.152) 8.199 3.023 ( -8.141 -3.194 2.158) 9.007 3.747 ( 5.922 2.724 6.447) 9.168 3.861 ( 0.303 4.932 -1.451) 5.150 3.995 ( -2.791 5.332 1.298) 6.156 4.295 ( -0.093 -0.274 -1.797) 1.820 4.695 ( -2.793 -3.858 -2.391) 5.329 5.014 ( 6.514 -0.703 3.110) 7.253======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -4.992 -7.356 4.544) 9.985 1.200 ( -3.225 0.717 2.908) 4.401 1.337 ( -0.710 0.704 4.343) 4.457 1.832 ( -10.890 -1.890 0.589) 11.069 2.076 ( 0.655 -0.294 -2.641) 2.737 2.779 ( -15.568 -5.067 1.043) 16.405 3.793 ( -0.170 -1.061 1.837) 2.129 3.925 ( -0.767 1.726 -1.227) 2.252 4.115 ( 7.020 9.650 3.479) 12.430 4.265 ( -2.026 0.790 -4.274) 4.795 4.629 ( 0.375 -2.885 -1.879) 3.464 5.140 ( 6.926 -0.446 5.286) 8.724======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( -7.827 -10.239 5.911) 14.178 1.129 ( -8.232 2.893 5.061) 10.087 1.350 ( -0.797 -0.198 1.919) 2.087 1.621 ( -10.656 -0.869 0.524) 10.704 2.082 ( 0.860 -0.595 0.107) 1.051 2.387 ( -21.688 -6.343 -1.613) 22.654 3.777 ( -0.504 -1.354 0.561) 1.550 3.911 ( -1.027 0.645 -1.048) 1.603 4.163 ( -3.874 -1.455 -1.041) 4.267 4.405 ( 9.502 9.539 -3.307) 13.864 4.637 ( 3.353 -1.894 0.089) 3.852 5.275 ( 6.403 0.136 5.790) 8.633======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( -10.227 -9.721 5.038) 14.982 0.993 ( -13.866 4.512 7.157) 16.243 1.280 ( -6.765 -2.466 -2.664) 7.678 1.463 ( -6.576 -0.337 -0.234) 6.588 1.911 ( -22.793 -5.042 -1.816) 23.414 2.093 ( 0.009 -0.156 0.182) 0.239 3.755 ( -0.654 -0.980 0.156) 1.189 3.906 ( 0.367 0.193 -0.636) 0.759 4.074 ( -4.234 -0.743 -0.453) 4.323 4.628 ( 8.390 4.622 -4.320) 10.508 4.702 ( 5.183 -0.715 1.826) 5.542 5.396 ( 5.031 0.544 3.955) 6.422======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.352 ( -10.920 0.000 0.000) 10.920 0.759 ( -18.462 0.000 0.000) 18.462 0.993 ( -22.132 0.000 0.000) 22.132 1.379 ( -3.002 0.000 0.000) 3.002 1.567 ( -11.652 0.000 0.000) 11.652 2.085 ( -0.787 0.000 0.000) 0.787 3.737 ( -0.849 0.000 0.000) 0.849 3.920 ( 1.006 -0.000 -0.000) 1.006 4.003 ( -3.226 0.000 0.000) 3.226 4.769 ( 6.339 -0.000 -0.000) 6.339 4.800 ( 5.086 -0.000 -0.000) 5.086 5.479 ( 3.157 -0.000 -0.000) 3.157======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( -0.000 12.321 11.633) 16.945 0.804 ( -0.000 16.572 0.612) 16.583 1.091 ( -0.000 17.168 6.996) 18.539 1.383 ( 0.000 3.643 -1.153) 3.821 1.627 ( 0.000 15.017 -1.176) 15.063 2.112 ( -0.000 -1.580 2.386) 2.862 3.756 ( -0.000 1.456 0.524) 1.547 3.897 ( 0.000 -1.182 -1.334) 1.782 4.017 ( 0.000 2.936 -0.415) 2.965 4.567 ( 0.000 -4.142 -11.209) 11.949 4.840 ( -0.000 -6.009 3.688) 7.050 5.497 ( 0.000 -3.614 -0.053) 3.615======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( -8.764 13.049 11.535) 19.497 1.018 ( 2.248 13.737 -4.491) 14.627 1.279 ( 2.505 4.839 2.529) 6.008 1.471 ( 3.841 6.562 1.114) 7.684 1.892 ( 8.871 20.616 -0.003) 22.443 2.093 ( -0.355 -0.589 -0.297) 0.749 3.767 ( -0.448 1.530 1.125) 1.951 3.886 ( 0.680 -1.069 -1.473) 1.943 4.070 ( 2.344 3.301 0.005) 4.048 4.522 ( 2.916 -5.660 -5.607) 8.483 4.759 ( -2.812 -7.316 3.177) 8.458 5.403 ( -5.607 -3.248 -3.092) 7.179======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( -2.600 11.035 7.471) 13.577 1.145 ( 0.753 8.984 -3.735) 9.758 1.318 ( -0.106 0.728 -2.766) 2.862 1.626 ( 4.340 9.345 0.423) 10.312 2.051 ( 0.438 0.066 -2.274) 2.317 2.327 ( 12.357 18.221 1.447) 22.063 3.777 ( -0.680 1.190 1.462) 2.004 3.903 ( 2.331 0.332 -1.261) 2.671 4.152 ( 2.569 2.988 0.809) 4.022 4.501 ( 2.134 -5.748 -1.814) 6.394 4.617 ( -5.515 -6.359 2.098) 8.675 5.238 ( -6.898 -3.880 -5.442) 9.605======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 1.781 7.883 2.932) 8.597 1.206 ( -0.281 3.224 -1.343) 3.504 1.302 ( -0.491 1.715 -4.894) 5.209 1.814 ( 5.293 9.616 -0.125) 10.977 2.072 ( 2.117 0.739 0.817) 2.386 2.698 ( 10.298 14.010 -0.804) 17.406 3.773 ( -0.993 0.262 -0.205) 1.047 3.954 ( 1.728 2.501 -1.249) 3.286 4.186 ( -1.939 -0.352 -0.566) 2.050 4.412 ( -6.961 -1.056 2.559) 7.491 4.549 ( 3.959 -3.869 0.052) 5.536 5.067 ( -4.654 -5.527 -5.394) 9.017======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 3.279 5.148 0.561) 6.129 1.192 ( -1.158 -0.971 -0.761) 1.692 1.341 ( 2.266 4.654 -2.160) 5.610 1.951 ( 2.485 1.038 1.628) 3.147 2.169 ( 3.521 8.853 0.612) 9.547 2.956 ( 6.498 8.238 -1.185) 10.559 3.730 ( -3.434 -0.959 -3.452) 4.963 3.983 ( -2.115 2.618 -0.399) 3.389 4.096 ( -4.758 1.949 -1.163) 5.272 4.333 ( -3.413 0.385 1.314) 3.677 4.618 ( 5.588 -1.080 1.040) 5.786 4.941 ( -1.348 -6.206 -3.055) 7.047======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 0.741 1.238 -1.600) 2.155 1.177 ( 0.203 0.921 0.559) 1.097 1.445 ( 4.771 2.698 0.193) 5.485 1.947 ( -1.326 -3.189 2.271) 4.133 2.330 ( 0.676 12.736 -0.910) 12.786 3.091 ( 3.018 2.748 0.100) 4.082 3.628 ( -4.720 0.313 -3.383) 5.816 3.950 ( -3.591 3.003 1.866) 5.040 4.095 ( -1.381 6.059 -1.451) 6.381 4.284 ( -1.591 -1.760 0.073) 2.374 4.706 ( 5.138 -1.069 -0.476) 5.269 4.870 ( -0.087 -4.973 -0.313) 4.984======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.895 0.038 -0.879) 1.255 1.192 ( -0.743 1.231 0.520) 1.529 1.508 ( 1.336 -3.245 -0.761) 3.590 1.897 ( -1.008 -0.920 0.348) 1.409 2.406 ( -5.815 10.656 -1.076) 12.187 3.134 ( 0.536 -0.405 1.495) 1.639 3.606 ( 0.576 4.095 1.810) 4.514 3.932 ( -2.828 3.226 1.238) 4.465 4.126 ( -3.623 8.029 -0.125) 8.810 4.253 ( 1.584 -3.339 -0.552) 3.737 4.758 ( 3.030 -4.729 -1.710) 5.871 4.831 ( 0.714 -1.735 0.684) 1.997======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 2.106 0.309 -0.203) 2.138 1.168 ( -2.760 -1.031 1.637) 3.370 1.438 ( -2.771 -4.110 -0.617) 4.995 1.903 ( 1.867 -0.461 -1.985) 2.764 2.332 ( -11.127 5.484 -0.608) 12.420 3.110 ( -3.377 -1.183 1.935) 4.068 3.725 ( 4.235 5.670 6.047) 9.309 3.923 ( -2.024 4.091 -0.591) 4.602 4.124 ( -4.491 6.051 1.539) 7.691 4.269 ( 2.307 -0.609 -1.333) 2.733 4.689 ( -2.387 -5.645 -2.327) 6.556 4.886 ( 6.086 -2.034 1.235) 6.535======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( -5.371 -3.662 2.412) 6.934 1.207 ( 1.965 0.134 0.695) 2.088 1.377 ( -1.414 -0.343 1.516) 2.101 1.913 ( 0.209 -1.389 -2.058) 2.491 2.157 ( -11.047 1.505 -0.628) 11.167 2.983 ( -10.428 -1.771 1.473) 10.679 3.811 ( -0.949 0.700 4.492) 4.645 3.969 ( -0.170 5.733 -1.626) 5.961 4.136 ( 0.868 4.217 2.917) 5.201 4.296 ( -0.222 3.521 -2.215) 4.165 4.585 ( -1.206 -5.504 -2.493) 6.161 4.998 ( 8.402 -2.158 2.629) 9.064======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.928 ( -7.966 -3.774 2.391) 9.134 1.222 ( -0.937 0.337 0.535) 1.130 1.374 ( -0.553 0.545 2.048) 2.190 1.816 ( -10.100 -0.272 0.136) 10.105 2.055 ( -0.209 -0.377 -0.957) 1.050 2.710 ( -18.689 -1.914 0.318) 18.789 3.788 ( -1.843 -0.427 1.259) 2.272 3.956 ( -3.361 1.418 -0.986) 3.779 4.195 ( -0.420 -0.544 0.390) 0.790 4.375 ( 3.864 8.694 -1.133) 9.581 4.542 ( 3.073 -4.824 -0.731) 5.766 5.146 ( 8.880 -0.950 2.441) 9.259======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( -10.499 0.000 0.000) 10.499 1.178 ( -4.969 0.000 0.000) 4.969 1.353 ( -2.866 0.000 0.000) 2.866 1.619 ( -10.902 0.000 0.000) 10.902 2.076 ( 1.680 -0.000 -0.000) 1.680 2.312 ( -24.299 0.000 0.000) 24.299 3.762 ( -0.949 0.000 0.000) 0.949 3.915 ( -1.482 0.000 0.000) 1.482 4.144 ( -3.990 0.000 0.000) 3.990 4.523 ( 6.509 -0.000 -0.000) 6.509 4.594 ( 5.844 -0.000 -0.000) 5.844 5.292 ( 7.500 -0.000 -0.000) 7.500======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -0.000 6.403 5.080) 8.173 1.094 ( -0.000 11.479 0.282) 11.483 1.340 ( -0.000 5.358 4.165) 6.786 1.500 ( -0.000 8.553 0.285) 8.557 2.036 ( 0.000 17.558 -1.690) 17.640 2.092 ( 0.000 5.382 -0.257) 5.388 3.786 ( -0.000 1.107 0.173) 1.121 3.876 ( 0.000 0.121 -0.894) 0.902 4.067 ( 0.000 2.175 -1.250) 2.509 4.426 ( 0.000 -5.366 -1.388) 5.543 4.709 ( -0.000 -7.809 0.592) 7.832 5.412 ( 0.000 -3.900 -2.772) 4.785======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -4.255 6.525 4.742) 9.120 1.201 ( 0.416 6.576 -0.362) 6.599 1.355 ( -2.663 2.745 -1.236) 4.019 1.647 ( 4.234 9.796 0.885) 10.709 2.039 ( -0.173 -1.612 -2.317) 2.828 2.370 ( 6.324 22.879 0.481) 23.742 3.815 ( 0.911 2.114 1.706) 2.865 3.859 ( -0.387 -0.264 -1.983) 2.038 4.126 ( 3.903 2.244 -0.552) 4.536 4.390 ( 1.826 -5.607 1.038) 5.987 4.614 ( -1.857 -7.102 -1.062) 7.417 5.307 ( -5.784 -4.107 -3.524) 7.921======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( -2.348 6.555 4.056) 8.058 1.234 ( -1.344 1.017 0.618) 1.796 1.330 ( -1.454 3.272 -4.644) 5.864 1.824 ( 4.179 8.517 0.300) 9.491 2.045 ( 2.524 1.019 0.692) 2.808 2.699 ( 6.988 17.512 -0.971) 18.879 3.815 ( -2.313 1.808 0.091) 2.937 3.906 ( 4.342 0.779 -1.855) 4.786 4.202 ( 0.840 1.501 0.273) 1.741 4.388 ( 4.528 -4.947 1.285) 6.828 4.509 ( -2.547 -4.039 -0.900) 4.859 5.122 ( -8.254 -4.612 -3.826) 10.200======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -0.078 6.450 3.794) 7.483 1.197 ( -1.642 -1.598 -0.405) 2.326 1.352 ( 0.767 3.743 -1.851) 4.245 1.926 ( 1.876 0.617 1.821) 2.686 2.185 ( 6.109 9.903 1.158) 11.694 2.946 ( 4.882 10.744 -1.520) 11.898 3.784 ( -3.248 1.691 -2.648) 4.519 3.975 ( 3.644 0.283 -3.720) 5.215 4.163 ( -4.076 -1.377 0.149) 4.305 4.420 ( -2.105 0.992 0.134) 2.331 4.501 ( 6.310 -1.588 2.749) 7.064 4.928 ( -5.943 -5.253 -3.228) 8.563======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( -1.766 0.253 0.110) 1.788 1.190 ( 0.784 3.909 2.244) 4.575 1.414 ( 2.468 2.261 1.280) 3.584 1.940 ( -0.013 -1.831 2.449) 3.058 2.416 ( 5.135 13.581 0.292) 14.522 3.077 ( 2.092 4.077 -0.731) 4.640 3.712 ( -5.015 1.763 -4.854) 7.199 4.015 ( 1.367 0.676 -3.606) 3.916 4.092 ( -0.753 -2.140 0.992) 2.476 4.378 ( -5.485 3.728 1.800) 6.872 4.610 ( 5.320 -0.610 1.089) 5.465 4.812 ( -0.408 -4.716 -1.651) 5.013======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( -0.443 -0.104 -0.264) 0.525 1.233 ( -1.082 3.403 1.419) 3.843 1.462 ( 1.188 -1.522 1.102) 2.223 1.915 ( -1.428 -0.919 1.184) 2.070 2.599 ( -1.579 13.558 -0.580) 13.662 3.114 ( 1.118 -0.904 0.806) 1.648 3.659 ( -1.805 3.954 -1.674) 4.658 4.009 ( -2.122 2.074 -0.666) 3.041 4.110 ( 5.525 -4.720 -0.950) 7.329 4.323 ( -6.448 5.763 2.380) 8.969 4.663 ( 2.387 -2.267 -1.790) 3.747 4.792 ( 1.816 -2.807 0.307) 3.357======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 1.055 0.131 -0.174) 1.077 1.226 ( -3.211 1.432 1.164) 3.703 1.428 ( -1.250 -3.440 -1.003) 3.795 1.892 ( -0.777 0.054 -0.171) 0.798 2.591 ( -10.806 7.299 -0.948) 13.074 3.128 ( 0.835 -0.904 1.578) 2.001 3.736 ( 3.427 6.586 2.977) 7.999 3.992 ( -1.906 2.498 -1.294) 3.399 4.148 ( 4.679 -6.653 0.309) 8.140 4.305 ( -4.128 8.616 1.969) 9.754 4.637 ( 0.027 -5.536 -3.090) 6.340 4.804 ( 1.952 -1.338 0.715) 2.472======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -5.369 -0.886 0.894) 5.514 1.167 ( 2.404 0.113 0.015) 2.407 1.384 ( -0.421 -0.980 -0.526) 1.189 1.885 ( 0.324 -0.293 -0.803) 0.914 2.405 ( -14.102 1.868 -0.326) 14.229 3.104 ( -4.029 -0.334 0.876) 4.136 3.851 ( 0.308 2.575 3.542) 4.390 4.016 ( 1.424 6.236 -2.127) 6.741 4.134 ( 0.915 -5.300 1.465) 5.574 4.359 ( -0.930 8.350 1.437) 8.524 4.541 ( -1.841 -7.286 -3.089) 8.125 4.854 ( 5.489 -1.252 0.764) 5.681======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( -6.577 0.000 0.000) 6.577 1.210 ( 2.015 -0.000 -0.000) 2.015 1.381 ( 0.228 -0.000 -0.000) 0.228 1.891 ( 0.147 -0.000 -0.000) 0.147 2.170 ( -12.355 0.000 0.000) 12.355 2.970 ( -11.370 0.000 0.000) 11.370 3.833 ( -2.715 0.000 0.000) 2.715 4.037 ( -4.147 0.000 0.000) 4.147 4.156 ( 4.280 -0.000 -0.000) 4.280 4.421 ( -1.532 0.000 0.000) 1.532 4.450 ( 1.612 -0.000 -0.000) 1.612 4.980 ( 9.027 -0.000 -0.000) 9.027======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 1.571 -0.175) 1.581 1.268 ( -0.000 5.330 0.539) 5.357 1.406 ( 0.000 0.683 -1.527) 1.672 1.711 ( -0.000 10.865 0.670) 10.886 2.005 ( 0.000 -3.232 -2.086) 3.847 2.562 ( -0.000 23.616 0.741) 23.627 3.804 ( -0.000 0.705 0.393) 0.807 3.892 ( 0.000 1.644 -0.574) 1.741 4.088 ( 0.000 0.683 -0.411) 0.797 4.340 ( -0.000 -3.996 3.819) 5.527 4.552 ( 0.000 -6.051 -3.659) 7.071 5.305 ( 0.000 -4.813 -3.060) 5.703======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 0.107 1.119 -0.845) 1.406 1.288 ( -2.072 0.803 1.338) 2.594 1.374 ( -1.799 1.384 -4.522) 5.060 1.847 ( 2.456 8.090 0.266) 8.459 1.995 ( 3.310 -0.875 0.180) 3.428 2.809 ( 2.097 19.247 0.035) 19.361 3.835 ( 2.162 0.264 -1.169) 2.472 3.886 ( -1.784 2.505 0.727) 3.161 4.152 ( 5.490 0.528 0.123) 5.517 4.310 ( -0.368 -3.886 3.484) 5.232 4.485 ( -0.312 -3.166 -3.980) 5.096 5.193 ( -5.579 -5.169 -2.754) 8.088======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 1.749 0.791 -0.262) 1.937 1.242 ( -2.543 -0.038 0.946) 2.713 1.371 ( 0.057 2.158 -1.740) 2.773 1.912 ( 0.904 0.290 1.972) 2.188 2.148 ( 8.576 7.490 0.225) 11.389 3.005 ( 1.555 12.694 -0.609) 12.804 3.849 ( -1.537 2.260 -2.532) 3.726 3.898 ( 1.603 -0.629 -1.388) 2.212 4.215 ( -2.005 -0.167 -0.120) 2.016 4.318 ( 7.479 -3.043 1.389) 8.193 4.469 ( 0.721 0.841 -0.520) 1.224 5.007 ( -8.224 -4.751 -2.101) 9.728======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 0.313 -1.475 -0.095) 1.510 1.246 ( 0.235 4.120 2.502) 4.826 1.402 ( 1.429 1.138 1.164) 2.166 1.929 ( 0.602 -0.767 2.433) 2.621 2.406 ( 10.133 9.888 0.288) 14.161 3.110 ( -0.385 6.213 -0.611) 6.255 3.805 ( -4.638 2.492 -5.303) 7.473 3.915 ( 3.252 -3.439 -2.341) 5.280 4.146 ( -4.008 -0.456 0.393) 4.053 4.444 ( 5.747 0.634 -0.641) 5.817 4.512 ( 2.659 0.806 3.404) 4.394 4.826 ( -6.291 -3.041 -1.782) 7.211======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.490 -0.753 0.036) 0.899 1.300 ( -0.633 4.461 1.789) 4.848 1.434 ( 1.038 -1.378 2.088) 2.709 1.931 ( -0.507 -0.307 1.472) 1.587 2.687 ( 8.074 11.838 0.863) 14.355 3.110 ( -2.696 -0.445 -0.554) 2.788 3.733 ( -3.489 2.992 -4.585) 6.492 3.928 ( 4.351 -5.550 -2.029) 7.339 4.086 ( -2.829 0.213 1.067) 3.030 4.482 ( -3.342 4.324 2.504) 6.011 4.598 ( 4.384 -1.169 0.613) 4.578 4.733 ( -0.375 -2.046 -1.871) 2.798======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 0.012 -0.105 0.034) 0.111 1.315 ( -3.246 3.409 1.372) 4.903 1.411 ( -0.759 -3.171 -0.136) 3.263 1.915 ( -1.370 0.101 0.344) 1.416 2.841 ( -7.502 9.219 -0.205) 11.888 3.064 ( 4.076 -4.029 0.540) 5.757 3.754 ( 1.993 5.316 -0.140) 5.679 3.949 ( 5.783 -5.946 -2.427) 8.642 4.053 ( -1.472 -0.120 1.359) 2.007 4.471 ( -4.360 5.929 3.493) 8.146 4.590 ( -1.281 -3.588 -3.334) 5.063 4.754 ( 3.150 -1.037 0.207) 3.322======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 1.131 -0.000 -0.000) 1.131 1.250 ( -5.603 0.000 0.000) 5.603 1.383 ( -0.408 0.000 0.000) 0.408 1.892 ( -1.121 0.000 0.000) 1.121 2.665 ( -13.874 0.000 0.000) 13.874 3.123 ( 1.834 -0.000 -0.000) 1.834 3.849 ( 3.065 -0.000 -0.000) 3.065 4.019 ( 6.059 -0.000 -0.000) 6.059 4.038 ( 0.069 -0.000 -0.000) 0.069 4.471 ( -2.787 0.000 0.000) 2.787 4.503 ( -2.178 0.000 0.000) 2.178 4.792 ( 1.964 -0.000 -0.000) 1.964======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.014 -1.940) 1.940 1.293 ( 0.000 -3.898 -1.536) 4.189 1.380 ( 0.000 0.623 -4.968) 5.006 1.916 ( 0.000 8.716 -0.420) 8.726 1.936 ( -0.000 -2.856 1.271) 3.126 2.982 ( -0.000 16.506 0.320) 16.509 3.823 ( -0.000 0.832 0.421) 0.933 3.928 ( 0.000 1.937 -0.084) 1.939 4.101 ( -0.000 0.329 1.674) 1.706 4.297 ( -0.000 -2.759 3.048) 4.111 4.451 ( 0.000 -0.343 -5.056) 5.068 5.178 ( 0.000 -6.099 -2.187) 6.479======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( 0.938 -0.364 -1.528) 1.829 1.236 ( 0.628 -4.261 -2.745) 5.107 1.376 ( 0.274 0.585 -2.077) 2.175 1.911 ( -0.126 -0.735 2.033) 2.166 2.063 ( 7.101 5.715 -0.843) 9.154 3.122 ( -0.273 11.170 0.088) 11.174 3.843 ( 1.085 0.810 0.272) 1.382 3.930 ( -1.886 1.740 -0.851) 2.703 4.155 ( 5.057 -0.432 0.931) 5.160 4.264 ( -1.570 -2.125 1.087) 2.857 4.462 ( 1.178 2.889 -2.575) 4.045 5.065 ( -4.629 -5.996 -1.436) 7.710======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 1.643 -0.974 -0.008) 1.910 1.241 ( 3.212 -0.239 -0.196) 3.227 1.391 ( 1.133 0.434 -0.091) 1.216 1.918 ( 0.719 -0.417 1.931) 2.102 2.277 ( 11.490 4.781 -1.006) 12.485 3.197 ( -1.398 6.246 0.165) 6.403 3.865 ( 0.138 -0.503 1.910) 1.980 3.885 ( -3.801 1.582 -4.764) 6.296 4.204 ( -2.994 -0.519 -0.265) 3.050 4.275 ( 8.876 -1.644 0.104) 9.028 4.517 ( 1.301 3.066 0.093) 3.332 4.910 ( -6.272 -3.725 -0.558) 7.316======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.384 -0.676 0.053) 0.779 1.317 ( 3.347 1.748 0.585) 3.821 1.415 ( 0.784 -0.350 1.241) 1.510 1.933 ( 0.507 -0.050 1.041) 1.159 2.553 ( 14.617 3.982 -0.149) 15.150 3.193 ( -4.270 2.107 0.069) 4.762 3.799 ( -3.767 0.033 -3.943) 5.454 3.859 ( -0.848 -0.986 0.731) 1.492 4.143 ( -3.273 -0.028 0.043) 3.273 4.437 ( 9.973 -0.510 -0.068) 9.987 4.552 ( 0.138 0.996 1.163) 1.537 4.782 ( -5.473 -0.719 -0.591) 5.551======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -0.121 0.000 0.000) 0.121 1.376 ( 1.584 -0.000 -0.000) 1.584 1.401 ( -2.110 0.000 0.000) 2.110 1.935 ( -0.571 0.000 0.000) 0.571 2.838 ( 13.901 -0.000 -0.000) 13.901 3.082 ( -8.983 0.000 0.000) 8.983 3.761 ( 0.035 -0.000 -0.000) 0.035 3.845 ( 1.069 -0.000 -0.000) 1.069 4.092 ( -2.522 0.000 0.000) 2.522 4.554 ( -0.659 0.000 0.000) 0.659 4.573 ( 3.395 -0.000 -0.000) 3.395 4.704 ( -1.190 0.000 0.000) 1.190======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 0.000 -0.240 -1.566) 1.584 1.148 ( 0.000 -6.105 -4.708) 7.710 1.368 ( 0.000 -0.267 -1.248) 1.277 1.907 ( -0.000 -1.183 1.752) 2.114 2.050 ( 0.000 4.691 -0.678) 4.740 3.218 ( 0.000 6.872 -0.079) 6.872 3.838 ( 0.000 0.518 -0.037) 0.519 3.964 ( -0.000 1.369 0.405) 1.428 4.120 ( -0.000 0.628 1.005) 1.184 4.262 ( -0.000 -1.772 1.011) 2.040 4.484 ( 0.000 5.117 -2.494) 5.692 5.036 ( 0.000 -6.443 -0.972) 6.516======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 1.350 -0.850 -0.278) 1.619 1.144 ( 4.885 -2.029 -2.063) 5.678 1.371 ( 0.953 -0.155 -0.469) 1.073 1.907 ( 0.519 -0.393 1.010) 1.202 2.143 ( 6.635 2.228 -0.590) 7.024 3.263 ( -0.534 3.096 -0.015) 3.142 3.864 ( 1.751 0.594 0.753) 1.996 3.947 ( -3.105 0.593 -0.916) 3.292 4.153 ( 3.292 -0.090 0.224) 3.301 4.238 ( -1.410 -0.783 0.150) 1.620 4.534 ( 0.497 3.594 -0.810) 3.718 4.950 ( -2.931 -3.905 -0.294) 4.891======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 1.504 -0.000 -0.000) 1.504 1.237 ( 6.082 -0.000 -0.000) 6.082 1.394 ( 1.591 -0.000 -0.000) 1.591 1.921 ( 0.908 -0.000 -0.000) 0.908 2.322 ( 12.420 -0.000 -0.000) 12.420 3.260 ( -1.812 0.000 0.000) 1.812 3.871 ( -4.925 0.000 0.000) 4.925 3.883 ( -0.758 0.000 0.000) 0.758 4.197 ( -2.790 0.000 0.000) 2.790 4.257 ( 8.808 -0.000 -0.000) 8.808 4.556 ( 0.279 -0.000 -0.000) 0.279 4.866 ( -4.441 0.000 0.000) 4.441======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -0.000 0.000 0.000) 0.000 1.080 ( -0.000 0.000 0.000) 0.000 1.360 ( -0.000 0.000 0.000) 0.000 1.901 ( -0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 -0.000) 0.000 3.282 ( -0.000 0.000 0.000) 0.000 3.843 ( -0.000 0.000 0.000) 0.000 3.981 ( -0.000 0.000 0.000) 0.000 4.132 ( -0.000 0.000 0.000) 0.000 4.245 ( -0.000 0.000 0.000) 0.000 4.552 ( -0.000 0.000 0.000) 0.000 4.950 ( -0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.187 ( -0.000 0.000 19.726) 19.726 0.187 ( -0.000 0.000 19.726) 19.726 0.299 ( -0.000 0.000 31.768) 31.768 1.329 ( 0.000 -0.000 -0.928) 0.928 1.329 ( 0.000 -0.000 -0.928) 0.928 2.890 ( 0.000 -0.000 -4.690) 4.690 3.719 ( -0.000 0.000 0.512) 0.512 3.719 ( -0.000 0.000 0.512) 0.512 3.940 ( 0.000 -0.000 -0.592) 0.592 3.940 ( 0.000 -0.000 -0.592) 0.592 4.904 ( -0.000 0.000 0.994) 0.994 5.799 ( 0.000 -0.000 -0.180) 0.180======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.246 ( 9.049 5.225 4.465) 11.363 0.262 ( 7.543 4.355 6.526) 10.883 0.853 ( 22.148 12.787 19.307) 32.044 1.344 ( 1.366 0.789 -0.778) 1.759 1.423 ( 6.066 3.502 -3.257) 7.725 2.210 ( -11.291 -6.519 15.373) 20.157 3.726 ( 0.568 0.328 0.439) 0.790 3.937 ( -0.399 -0.230 -0.238) 0.518 3.955 ( 1.838 1.061 -0.789) 2.265 4.564 ( 14.776 8.531 -30.149) 34.642 4.917 ( -0.055 -0.032 1.867) 1.868 5.568 ( -10.346 -5.973 6.375) 13.541======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.500 ( 11.294 6.520 -5.574) 14.182 0.517 ( 12.679 7.320 -1.713) 14.740 1.266 ( 7.477 4.317 7.204) 11.244 1.392 ( 3.035 1.752 -0.443) 3.532 1.675 ( 16.950 9.786 2.635) 19.749 2.103 ( -2.089 -1.206 1.720) 2.962 3.746 ( 0.982 0.567 0.129) 1.141 3.923 ( -0.658 -0.380 0.065) 0.763 4.022 ( 3.846 2.221 0.460) 4.465 4.648 ( 1.407 0.813 -10.589) 10.713 4.858 ( -6.897 -3.982 7.297) 10.802 5.378 ( -6.147 -3.549 -5.707) 9.108======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( 10.388 5.997 -9.478) 15.287 0.796 ( 11.026 6.366 -2.789) 13.034 1.341 ( -0.083 -0.048 -0.266) 0.283 1.493 ( 5.947 3.434 -0.065) 6.868 2.038 ( 5.573 3.217 -3.778) 7.462 2.182 ( 14.246 8.225 5.377) 17.306 3.770 ( 1.072 0.619 -0.217) 1.257 3.911 ( -0.329 -0.190 0.249) 0.454 4.126 ( 4.215 2.434 1.365) 5.055 4.585 ( -9.109 -5.259 3.427) 11.062 4.681 ( -4.761 -2.749 0.913) 5.573 5.241 ( -3.678 -2.124 -9.919) 10.790======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 9.629 5.559 -10.046) 14.985 0.995 ( 6.635 3.831 -2.696) 8.122 1.305 ( -1.891 -1.091 -2.522) 3.336 1.673 ( 9.143 5.279 -0.160) 10.559 2.093 ( 1.851 1.069 -0.677) 2.242 2.573 ( 15.305 8.837 1.126) 17.709 3.793 ( 0.922 0.532 -0.099) 1.069 3.911 ( 0.296 0.171 0.093) 0.355 4.153 ( -6.585 -3.802 -1.749) 7.802 4.334 ( -6.578 -3.798 7.010) 10.336 4.654 ( 0.699 0.404 -1.045) 1.320 5.134 ( -3.148 -1.818 -7.760) 8.570======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 3.316 1.915 -2.075) 4.356 1.116 ( 6.775 3.912 -6.907) 10.436 1.277 ( 2.073 1.197 -2.733) 3.633 1.893 ( 9.012 5.203 -0.659) 10.427 2.111 ( -0.998 -0.576 1.613) 1.983 2.880 ( 10.754 6.209 -0.582) 12.431 3.813 ( 0.663 0.383 0.434) 0.880 3.857 ( -13.265 -7.659 -1.631) 15.404 3.923 ( 0.675 0.390 -0.233) 0.813 4.315 ( -0.128 -0.074 1.609) 1.616 4.696 ( 2.837 1.638 0.495) 3.313 5.044 ( -2.993 -1.728 -4.157) 5.406======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 1.542 0.890 -1.465) 2.306 1.152 ( -0.143 -0.083 -2.367) 2.373 1.442 ( 10.144 5.857 -3.909) 12.348 2.038 ( -5.664 -3.270 1.920) 6.816 2.065 ( 5.511 3.182 -0.860) 6.422 3.071 ( 5.585 3.224 0.072) 6.449 3.609 ( -6.793 -3.922 0.051) 7.844 3.826 ( 0.244 0.141 0.741) 0.793 3.938 ( 0.600 0.346 -0.255) 0.738 4.308 ( -0.492 -0.284 -0.295) 0.640 4.780 ( 4.010 2.315 0.347) 4.644 4.962 ( -3.398 -1.962 -1.613) 4.242======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 0.777 0.448 -0.429) 0.994 1.168 ( 0.365 0.211 -0.915) 1.007 1.611 ( 2.317 1.338 -3.742) 4.601 1.913 ( -2.332 -1.347 0.389) 2.721 2.133 ( 0.315 0.182 -0.521) 0.635 3.144 ( 0.456 0.263 1.514) 1.603 3.555 ( 1.345 0.776 4.881) 5.122 3.828 ( -0.239 -0.138 0.567) 0.631 3.947 ( 0.154 0.089 0.039) 0.181 4.299 ( -0.078 -0.045 -0.789) 0.794 4.863 ( -3.274 -1.890 -0.069) 3.781 4.887 ( 3.474 2.006 -0.828) 4.096======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -0.718 -0.415 -0.227) 0.860 1.187 ( 1.922 1.110 1.459) 2.657 1.504 ( -7.647 -4.415 1.772) 9.006 1.972 ( 4.898 2.828 -4.528) 7.245 2.076 ( -5.076 -2.931 0.143) 5.863 3.099 ( -5.131 -2.963 2.813) 6.559 3.683 ( 7.459 4.306 7.565) 11.464 3.820 ( -0.490 -0.283 0.201) 0.601 3.944 ( -0.478 -0.276 0.290) 0.623 4.295 ( -0.162 -0.093 -1.468) 1.480 4.751 ( -4.487 -2.591 -2.749) 5.866 5.001 ( 5.047 2.914 2.181) 6.223======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( -2.216 -1.279 0.906) 2.715 1.223 ( -1.086 -0.627 4.043) 4.233 1.364 ( -3.908 -2.256 5.671) 7.247 1.907 ( -9.024 -5.210 0.767) 10.449 2.048 ( 2.786 1.609 -4.769) 5.753 2.909 ( -11.883 -6.860 2.300) 13.912 3.809 ( -0.454 -0.262 0.040) 0.526 3.927 ( -0.961 -0.555 0.161) 1.122 3.928 ( 11.146 6.435 5.548) 14.015 4.268 ( -1.834 -1.059 -2.792) 3.505 4.659 ( -2.032 -1.173 -3.327) 4.071 5.133 ( 5.254 3.033 4.464) 7.532======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( -5.173 -2.987 3.039) 6.702 1.130 ( -7.392 -4.268 9.403) 12.699 1.358 ( 0.067 0.038 2.985) 2.986 1.684 ( -9.580 -5.531 0.905) 11.099 2.081 ( 1.171 0.676 -1.979) 2.397 2.557 ( -18.142 -10.474 -0.428) 20.953 3.798 ( -0.572 -0.330 0.255) 0.709 3.905 ( -0.755 -0.436 -0.457) 0.985 4.192 ( -3.330 -1.922 -3.975) 5.530 4.216 ( 11.936 6.891 1.373) 13.851 4.644 ( 1.281 0.739 -1.934) 2.435 5.270 ( 4.915 2.838 5.597) 7.971======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( -9.770 -5.641 6.720) 13.131 0.958 ( -10.163 -5.868 12.264) 16.974 1.324 ( -3.944 -2.277 -1.386) 4.760 1.495 ( -6.232 -3.598 0.177) 7.198 2.078 ( -18.433 -10.643 -1.112) 21.314 2.098 ( -2.407 -1.390 -1.692) 3.254 3.779 ( -1.158 -0.669 0.539) 1.442 3.896 ( 0.306 0.177 -1.119) 1.174 4.098 ( -3.594 -2.075 -1.694) 4.482 4.481 ( 10.677 6.165 -4.867) 13.255 4.699 ( 3.406 1.966 0.847) 4.023 5.392 ( 3.931 2.269 5.047) 6.788======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( -12.430 -7.176 11.028) 18.100 0.730 ( -12.728 -7.349 13.452) 19.924 1.099 ( -15.965 -9.217 -7.064) 19.742 1.391 ( -2.920 -1.686 -0.565) 3.419 1.640 ( -13.396 -7.734 -1.481) 15.539 2.093 ( -0.514 -0.297 1.294) 1.423 3.751 ( -1.279 -0.738 0.513) 1.563 3.909 ( 0.990 0.571 -1.221) 1.672 4.020 ( -2.850 -1.645 -0.083) 3.292 4.672 ( 7.339 4.237 -10.755) 13.692 4.801 ( 4.293 2.478 4.661) 6.804 5.481 ( 2.579 1.489 3.495) 4.591======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( 0.000 21.822 -4.978) 22.382 0.549 ( -0.000 12.652 15.902) 20.321 0.768 ( -0.000 17.412 23.610) 29.336 1.331 ( 0.000 1.259 -1.845) 2.233 1.418 ( 0.000 7.017 -2.793) 7.552 2.264 ( -0.000 -15.535 14.114) 20.989 3.733 ( -0.000 0.886 0.752) 1.162 3.918 ( 0.000 -1.160 -1.271) 1.721 3.962 ( 0.000 2.251 -0.737) 2.369 4.433 ( 0.000 17.597 -27.827) 32.924 4.918 ( -0.000 -0.362 1.732) 1.770 5.621 ( -0.000 -9.359 4.753) 10.497======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.539 ( -7.652 13.242 13.417) 20.345 0.614 ( 0.567 21.823 -4.980) 22.391 1.180 ( 11.120 7.758 11.393) 17.710 1.373 ( 2.758 3.289 -0.421) 4.313 1.560 ( 8.558 11.772 0.061) 14.554 2.140 ( -3.500 -4.571 3.573) 6.776 3.744 ( 0.065 1.025 0.792) 1.297 3.909 ( 0.721 -1.487 -1.092) 1.981 4.003 ( 1.854 3.192 0.030) 3.691 4.542 ( 5.720 1.918 -14.667) 15.859 4.900 ( -1.411 -4.077 3.832) 5.770 5.466 ( -8.024 -4.967 -1.139) 9.506======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 0.800 9.907 7.870) 12.678 0.838 ( 2.821 17.923 -7.063) 19.471 1.316 ( 2.126 -0.360 0.377) 2.189 1.472 ( 2.834 5.947 0.300) 6.595 1.932 ( 12.504 11.992 -0.633) 17.336 2.107 ( 3.392 2.439 2.446) 4.841 3.762 ( 0.434 0.841 0.840) 1.265 3.906 ( 0.726 -0.821 -0.713) 1.307 4.090 ( 3.528 3.385 1.256) 5.048 4.577 ( 2.691 -2.346 -6.454) 7.376 4.781 ( -7.475 -7.784 6.645) 12.674 5.275 ( -6.953 -2.384 -7.874) 10.772======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( 5.676 6.601 0.350) 8.713 1.017 ( 2.264 12.347 -5.853) 13.851 1.307 ( -0.801 -1.827 -2.333) 3.070 1.616 ( 5.553 8.434 -0.017) 10.098 2.057 ( 2.632 1.337 -2.188) 3.674 2.425 ( 14.214 12.294 2.126) 18.913 3.778 ( 0.517 -0.001 0.621) 0.808 3.915 ( 0.480 0.865 -0.595) 1.154 4.174 ( 1.445 1.357 0.388) 2.020 4.494 ( -10.882 -5.658 5.452) 13.422 4.617 ( 0.453 -3.094 -2.021) 3.723 5.133 ( -3.443 -2.980 -8.263) 9.434======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 7.386 4.145 -2.163) 8.742 1.134 ( 1.227 7.703 -4.017) 8.773 1.267 ( -0.375 -0.321 -2.540) 2.588 1.822 ( 7.030 8.878 -0.328) 11.329 2.106 ( 1.696 0.503 0.495) 1.837 2.766 ( 11.110 9.648 -0.263) 14.717 3.774 ( -0.204 -2.739 -0.026) 2.746 3.933 ( -0.176 2.002 -0.482) 2.066 4.071 ( -11.872 -1.259 -0.948) 11.976 4.338 ( -2.894 -0.374 2.687) 3.967 4.642 ( 3.811 -0.840 -0.501) 3.935 5.035 ( -1.434 -4.002 -4.877) 6.470======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 4.324 1.330 -2.465) 5.152 1.167 ( -0.798 1.108 -1.525) 2.047 1.342 ( 6.229 6.187 -2.234) 9.059 1.994 ( 3.611 2.043 0.479) 4.176 2.127 ( -0.906 4.495 -0.052) 4.586 3.003 ( 7.012 5.664 0.143) 9.015 3.671 ( -5.434 -5.622 -1.140) 7.901 3.898 ( -5.122 3.119 2.476) 6.488 3.969 ( -1.729 4.750 -1.501) 5.273 4.310 ( -0.755 -0.872 -0.449) 1.238 4.714 ( 4.707 0.111 -0.359) 4.722 4.965 ( -1.047 -4.128 -1.566) 4.538======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 1.381 -0.026 -2.143) 2.550 1.169 ( 0.092 1.178 -0.445) 1.262 1.516 ( 6.890 2.624 -3.049) 7.978 1.953 ( -3.836 -4.182 1.198) 5.800 2.194 ( -1.444 8.946 -1.491) 9.183 3.128 ( 2.758 1.660 1.618) 3.603 3.572 ( -1.216 -0.320 2.882) 3.145 3.876 ( -2.812 3.102 2.381) 4.817 3.987 ( -1.743 4.833 -0.894) 5.215 4.291 ( 0.091 -1.064 -1.037) 1.489 4.803 ( 5.636 -0.169 -1.047) 5.735 4.892 ( -2.538 -3.819 -0.302) 4.595======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 1.802 0.240 -1.134) 2.143 1.177 ( -0.169 0.633 0.616) 0.899 1.540 ( -1.908 -5.028 -2.239) 5.825 1.902 ( 1.655 -0.021 -1.375) 2.152 2.201 ( -6.286 6.125 -1.004) 8.834 3.147 ( -1.726 -1.287 2.746) 3.490 3.642 ( 4.747 3.764 6.859) 9.151 3.863 ( -2.704 2.480 1.883) 4.124 3.997 ( -2.502 4.963 -0.170) 5.561 4.285 ( 0.538 -0.698 -1.297) 1.569 4.783 ( -3.769 -4.376 -2.595) 6.331 4.914 ( 6.434 -0.056 1.034) 6.516======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( -1.641 -1.487 0.437) 2.257 1.212 ( 2.334 0.033 2.002) 3.075 1.424 ( -3.856 -3.935 2.150) 5.913 1.939 ( 2.139 -1.754 -3.115) 4.166 2.102 ( -8.807 3.355 -1.163) 9.496 3.047 ( -8.247 -3.628 2.777) 9.428 3.813 ( 4.855 2.001 7.415) 9.086 3.850 ( -0.390 3.874 -0.835) 3.982 4.008 ( -1.981 6.458 1.661) 6.956 4.276 ( -0.648 -0.541 -2.156) 2.315 4.666 ( -2.946 -3.670 -3.748) 6.016 5.041 ( 7.620 -0.525 2.724) 8.110======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( -3.784 -6.173 3.798) 8.176 1.226 ( -1.639 -0.787 2.622) 3.190 1.376 ( -0.754 -0.064 3.596) 3.675 1.837 ( -10.162 -2.045 0.498) 10.378 2.048 ( 1.036 0.714 -3.117) 3.362 2.789 ( -16.457 -5.611 1.133) 17.424 3.812 ( -1.581 -0.480 2.210) 2.759 3.911 ( -0.386 1.069 -1.810) 2.137 4.150 ( 6.539 9.995 3.693) 12.501 4.229 ( -3.073 -0.487 -2.976) 4.306 4.606 ( 0.980 -2.142 -3.053) 3.856 5.183 ( 7.798 -0.720 3.674) 8.650======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -6.590 -11.251 7.391) 14.988 1.169 ( -5.910 0.941 3.443) 6.904 1.363 ( -2.197 -0.747 0.834) 2.466 1.628 ( -10.887 -1.060 0.914) 10.977 2.077 ( 1.865 -0.027 -1.230) 2.234 2.375 ( -22.960 -6.290 -0.980) 23.826 3.785 ( -0.959 -1.459 1.199) 2.118 3.897 ( -0.740 0.709 -1.731) 2.011 4.150 ( -4.149 -0.515 -1.514) 4.446 4.384 ( 7.846 8.711 -1.153) 11.780 4.634 ( 4.374 -0.885 -0.710) 4.519 5.316 ( 6.898 -0.935 2.808) 7.506======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( -8.699 -13.681 10.059) 19.079 1.036 ( -11.885 -0.081 1.346) 11.961 1.265 ( -8.384 -1.141 -0.116) 8.462 1.464 ( -6.946 -0.274 0.482) 6.969 1.897 ( -22.935 -3.740 -1.097) 23.264 2.094 ( 0.370 -0.228 0.053) 0.438 3.759 ( -0.751 -1.209 0.687) 1.580 3.898 ( 0.432 0.758 -1.130) 1.428 4.071 ( -4.053 -0.267 -0.179) 4.065 4.576 ( 6.392 6.017 -5.946) 10.603 4.729 ( 6.411 -0.261 3.141) 7.144 5.416 ( 5.311 -1.586 0.331) 5.553======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 0.000 19.707 -6.164) 20.648 0.868 ( -0.000 9.865 10.525) 14.426 1.203 ( -0.000 11.278 14.181) 18.119 1.369 ( 0.000 4.218 -1.821) 4.594 1.621 ( -0.000 15.856 0.286) 15.859 2.129 ( -0.000 -4.648 1.053) 4.766 3.760 ( -0.000 1.307 0.453) 1.383 3.885 ( 0.000 -1.099 -1.193) 1.622 4.012 ( 0.000 2.852 -0.702) 2.937 4.466 ( 0.000 1.133 -9.998) 10.062 4.872 ( -0.000 -6.142 3.258) 6.952 5.484 ( 0.000 -5.190 -2.621) 5.815======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( -6.879 11.558 7.755) 15.526 0.972 ( 0.094 15.053 -3.609) 15.480 1.302 ( -0.367 2.487 2.041) 3.238 1.482 ( 4.023 6.636 0.982) 7.822 1.896 ( 8.036 18.547 0.854) 20.231 2.090 ( 0.729 -0.277 -0.311) 0.839 3.779 ( 0.077 1.793 1.337) 2.239 3.871 ( 0.587 -1.293 -1.627) 2.159 4.071 ( 3.032 3.118 0.306) 4.360 4.472 ( 3.060 -2.266 -5.104) 6.368 4.790 ( -2.096 -8.874 3.453) 9.750 5.361 ( -6.688 -3.248 -5.524) 9.263======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -4.286 9.970 7.151) 12.997 1.102 ( 0.437 11.495 -5.141) 12.599 1.295 ( -0.999 -0.774 -1.952) 2.326 1.629 ( 3.977 9.294 0.163) 10.110 2.029 ( 1.293 1.698 -2.361) 3.183 2.342 ( 11.776 16.093 1.661) 20.010 3.792 ( -1.119 1.143 1.648) 2.297 3.888 ( 2.726 0.045 -1.792) 3.262 4.161 ( 2.653 2.679 1.027) 3.908 4.484 ( 3.243 -3.979 -1.793) 5.437 4.640 ( -5.566 -8.425 2.607) 10.429 5.179 ( -7.683 -2.645 -7.000) 10.725======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -0.274 8.429 4.357) 9.492 1.187 ( -0.056 6.395 -2.821) 6.990 1.261 ( -0.343 0.166 -3.490) 3.511 1.813 ( 5.213 9.837 -0.072) 11.133 2.079 ( 2.634 1.912 0.734) 3.337 2.690 ( 10.111 13.125 -0.836) 16.589 3.775 ( -1.706 -0.710 0.531) 1.923 3.937 ( 2.021 1.848 -2.272) 3.558 4.180 ( -2.837 -0.455 -0.553) 2.926 4.437 ( -6.321 -2.556 2.511) 7.266 4.548 ( 4.203 -2.459 -0.163) 4.872 5.016 ( -4.225 -4.322 -5.466) 8.149======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( 1.173 5.888 2.376) 6.457 1.186 ( -1.092 -0.454 -0.637) 1.344 1.321 ( 3.255 6.299 -2.017) 7.371 1.963 ( 2.984 2.454 0.961) 3.981 2.174 ( 2.670 8.223 0.406) 8.655 2.948 ( 6.990 8.154 -0.646) 10.759 3.705 ( -4.177 -2.484 -1.749) 5.165 3.972 ( -0.011 2.162 -1.831) 2.833 4.091 ( -5.095 2.055 0.174) 5.496 4.340 ( -4.196 0.372 0.271) 4.221 4.624 ( 4.962 -0.690 0.223) 5.015 4.916 ( -0.225 -5.434 -2.185) 5.861======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -0.268 1.612 -0.723) 1.787 1.182 ( 0.069 1.638 0.529) 1.722 1.446 ( 4.246 3.747 -0.116) 5.664 1.966 ( -1.649 -3.221 1.600) 3.956 2.318 ( 0.197 12.912 -1.590) 13.011 3.098 ( 3.726 2.884 1.246) 4.874 3.609 ( -3.018 -0.079 -0.643) 3.087 3.966 ( -2.509 2.224 1.333) 3.608 4.085 ( -1.333 5.980 -0.575) 6.154 4.281 ( -2.253 -0.892 -0.661) 2.512 4.695 ( 4.578 -1.360 -1.633) 5.047 4.869 ( 0.445 -4.511 0.212) 4.538======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 0.918 0.593 -1.149) 1.586 1.198 ( -0.763 1.641 0.737) 1.954 1.497 ( 0.499 -2.641 -1.555) 3.105 1.902 ( -1.835 -1.374 0.561) 2.360 2.392 ( -5.622 10.903 -1.843) 12.404 3.154 ( 0.805 -0.493 2.628) 2.793 3.631 ( 2.750 3.982 3.416) 5.923 3.948 ( -2.717 2.123 1.867) 3.921 4.126 ( -3.162 8.695 0.274) 9.257 4.246 ( 1.052 -2.875 -1.007) 3.223 4.735 ( 2.866 -4.744 -3.089) 6.345 4.839 ( 0.860 -1.857 0.968) 2.264======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 1.208 0.583 -1.180) 1.786 1.189 ( -0.986 -0.678 2.248) 2.547 1.431 ( -1.862 -3.983 -0.908) 4.490 1.889 ( 0.804 -0.333 -1.067) 1.377 2.324 ( -10.837 5.750 -1.074) 12.314 3.131 ( -3.404 -1.722 2.421) 4.518 3.778 ( 5.366 5.533 4.898) 9.133 3.924 ( -2.747 2.312 0.683) 3.654 4.140 ( -4.325 7.122 2.017) 8.573 4.255 ( 1.961 -0.534 -1.551) 2.556 4.660 ( -2.530 -5.636 -3.639) 7.170 4.897 ( 6.685 -2.093 1.209) 7.108======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -4.421 -3.702 2.614) 6.332 1.213 ( 2.098 -0.468 0.633) 2.240 1.388 ( -0.242 -0.825 0.787) 1.165 1.897 ( 0.498 -0.772 -1.306) 1.597 2.152 ( -11.438 1.847 -0.487) 11.596 2.996 ( -10.638 -2.425 1.173) 10.974 3.849 ( -1.947 -0.892 3.308) 3.941 3.951 ( -0.337 5.933 -2.189) 6.333 4.167 ( 1.470 3.013 3.566) 4.894 4.277 ( -1.109 4.961 -1.595) 5.328 4.558 ( -0.839 -4.786 -3.212) 5.825 5.018 ( 9.068 -2.728 1.536) 9.593======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -7.112 -5.921 4.432) 10.261 1.226 ( -0.588 -0.199 0.381) 0.728 1.382 ( -0.568 -0.622 -0.439) 0.950 1.818 ( -9.639 -0.417 0.248) 9.651 2.046 ( -0.380 0.500 -0.717) 0.953 2.711 ( -18.998 -2.149 -0.142) 19.119 3.801 ( -2.084 -1.568 1.265) 2.898 3.943 ( -3.266 2.471 -1.729) 4.446 4.198 ( -1.205 -0.838 0.255) 1.489 4.370 ( 3.557 8.898 0.062) 9.583 4.533 ( 3.718 -3.696 -1.175) 5.373 5.158 ( 9.105 -2.381 0.215) 9.413======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -9.854 -4.662 4.654) 11.853 1.170 ( -5.847 -1.841 -1.654) 6.349 1.343 ( -2.286 -0.436 -2.117) 3.146 1.622 ( -10.679 -0.480 0.418) 10.698 2.069 ( 1.136 0.242 -1.402) 1.821 2.316 ( -23.642 0.827 0.839) 23.671 3.766 ( -0.881 -0.623 0.874) 1.388 3.912 ( -1.477 1.013 -0.633) 1.900 4.146 ( -3.964 0.374 0.443) 4.006 4.516 ( 5.657 3.398 -1.317) 6.729 4.601 ( 6.657 -1.717 1.355) 7.007 5.278 ( 7.310 -2.170 -2.983) 8.188======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( -0.000 3.823 2.937) 4.821 1.072 ( 0.000 13.445 -4.189) 14.083 1.382 ( -0.000 2.344 3.839) 4.498 1.502 ( -0.000 9.362 0.166) 9.364 2.018 ( 0.000 8.730 -2.433) 9.063 2.098 ( -0.000 13.154 1.946) 13.297 3.788 ( -0.000 1.092 0.315) 1.136 3.869 ( 0.000 0.259 -0.846) 0.885 4.060 ( 0.000 2.041 -0.041) 2.041 4.415 ( 0.000 -2.226 -1.014) 2.446 4.717 ( -0.000 -9.873 1.291) 9.957 5.371 ( 0.000 -3.459 -5.691) 6.660======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -2.390 4.026 1.528) 4.925 1.184 ( 0.288 9.025 -3.301) 9.614 1.345 ( -4.381 0.824 -0.796) 4.528 1.653 ( 4.078 9.701 0.326) 10.528 2.019 ( 0.571 -0.391 -1.930) 2.050 2.378 ( 5.752 21.730 1.310) 22.516 3.826 ( 2.767 1.114 0.216) 2.990 3.846 ( -2.242 0.692 -0.373) 2.376 4.127 ( 4.261 2.011 0.683) 4.761 4.398 ( 1.109 -3.577 0.570) 3.788 4.607 ( -1.344 -9.167 -0.218) 9.267 5.263 ( -6.054 -3.092 -5.798) 8.934======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( -0.757 4.730 1.767) 5.105 1.240 ( -1.574 2.831 0.183) 3.244 1.284 ( -1.740 3.233 -4.562) 5.856 1.826 ( 4.190 8.741 0.135) 9.694 2.055 ( 3.218 1.938 1.361) 3.996 2.690 ( 6.471 17.116 -1.074) 18.330 3.813 ( -2.213 0.551 -0.349) 2.307 3.890 ( 3.100 0.861 -1.607) 3.597 4.205 ( 0.573 1.197 0.154) 1.336 4.397 ( 4.227 -4.468 0.670) 6.187 4.507 ( -1.251 -4.452 0.511) 4.652 5.080 ( -8.396 -3.343 -4.989) 10.323======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.969 5.255 3.370) 6.318 1.196 ( -2.481 -0.927 0.456) 2.687 1.333 ( 1.685 5.665 -2.198) 6.306 1.942 ( 2.253 1.740 1.479) 3.207 2.198 ( 5.743 9.331 1.477) 11.056 2.931 ( 4.994 10.908 -1.576) 12.100 3.760 ( -4.051 0.072 -2.253) 4.636 3.939 ( 3.161 -0.140 -3.882) 5.008 4.163 ( -3.639 -0.854 -0.061) 3.739 4.423 ( -0.834 0.344 0.410) 0.991 4.526 ( 5.423 -0.697 2.528) 6.024 4.897 ( -5.628 -4.379 -3.372) 7.888======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -1.774 -0.527 0.138) 1.856 1.214 ( -0.093 4.582 2.697) 5.318 1.425 ( 2.835 3.410 1.087) 4.566 1.961 ( -0.238 -1.851 2.068) 2.785 2.418 ( 4.476 13.856 0.110) 14.562 3.072 ( 2.832 4.116 -0.299) 5.005 3.673 ( -4.348 0.939 -3.408) 5.603 3.977 ( 2.832 -0.403 -4.208) 5.088 4.106 ( -1.435 -1.037 1.833) 2.548 4.395 ( -5.365 4.443 1.701) 7.171 4.614 ( 3.770 -0.466 -0.188) 3.804 4.799 ( 0.778 -4.754 -1.135) 4.949======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -0.651 0.089 -0.086) 0.663 1.248 ( -1.504 3.579 1.846) 4.299 1.470 ( 0.212 -1.546 0.536) 1.650 1.926 ( -1.885 -1.287 1.111) 2.539 2.591 ( -2.303 14.032 -1.067) 14.260 3.125 ( 2.001 -1.181 1.607) 2.825 3.649 ( 0.329 4.003 -0.239) 4.023 3.992 ( 0.146 0.086 -2.862) 2.867 4.112 ( 3.674 -3.059 1.430) 4.990 4.346 ( -6.760 6.663 2.321) 9.772 4.641 ( 1.759 -2.555 -2.615) 4.057 4.795 ( 2.281 -2.933 0.235) 3.723======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 0.913 0.405 -0.269) 1.035 1.241 ( -3.279 1.401 1.921) 4.050 1.420 ( -1.599 -3.419 -0.768) 3.852 1.893 ( -1.221 -0.102 0.408) 1.291 2.581 ( -10.695 7.769 -1.075) 13.262 3.145 ( 0.850 -1.590 1.866) 2.595 3.762 ( 4.859 6.548 2.609) 8.562 3.974 ( -1.166 0.477 -2.500) 2.799 4.151 ( 4.152 -5.262 0.377) 6.713 4.329 ( -4.642 9.126 3.103) 10.698 4.606 ( -0.038 -5.692 -3.295) 6.577 4.808 ( 2.103 -1.499 0.187) 2.590======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -1.270 0.210 0.096) 1.291 1.173 ( -1.455 -1.756 1.653) 2.816 1.382 ( -0.151 -0.678 0.042) 0.696 1.883 ( 0.024 0.094 0.295) 0.310 2.403 ( -13.982 2.185 -0.152) 14.152 3.111 ( -4.142 -1.105 0.575) 4.325 3.875 ( -0.232 0.099 1.332) 1.356 3.993 ( 2.236 6.532 -2.777) 7.442 4.142 ( 1.240 -4.934 0.404) 5.104 4.381 ( -1.946 9.094 3.058) 9.789 4.513 ( -1.523 -6.835 -2.675) 7.496 4.858 ( 5.736 -1.730 -0.062) 5.992======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -6.411 -1.906 1.825) 6.933 1.208 ( 2.064 -0.104 -0.461) 2.117 1.378 ( -0.294 -0.486 -0.753) 0.944 1.896 ( -0.023 0.758 1.033) 1.281 2.171 ( -12.297 0.170 0.336) 12.303 2.967 ( -11.420 -0.521 -0.637) 11.450 3.826 ( -2.364 -1.763 -1.418) 3.272 4.029 ( -3.765 1.636 -1.693) 4.441 4.158 ( 4.121 -1.466 0.257) 4.382 4.421 ( -0.798 -3.645 -0.123) 3.733 4.457 ( 0.584 5.318 1.461) 5.546 4.974 ( 8.839 -1.039 -1.361) 9.004======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( -8.145 0.670 0.381) 8.182 1.216 ( -1.458 -0.948 -0.803) 1.915 1.345 ( -0.973 -1.280 -4.033) 4.342 1.815 ( -10.605 0.036 -0.110) 10.605 2.064 ( -0.685 1.114 0.929) 1.604 2.705 ( -18.090 1.817 -0.642) 18.192 3.778 ( -0.948 -0.469 -0.856) 1.361 3.960 ( -3.295 -0.500 -0.077) 3.333 4.191 ( 0.483 -0.409 -0.500) 0.806 4.390 ( 4.013 -7.308 2.057) 8.587 4.547 ( 2.330 5.387 0.340) 5.879 5.114 ( 8.182 -0.353 -4.288) 9.244======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.683 -1.354) 1.516 1.259 ( 0.000 7.223 -2.671) 7.701 1.379 ( 0.000 -2.310 -4.073) 4.682 1.715 ( -0.000 10.587 0.147) 10.588 1.992 ( 0.000 -1.856 -0.669) 1.973 2.571 ( -0.000 22.939 1.021) 22.961 3.809 ( -0.000 0.726 0.740) 1.036 3.886 ( 0.000 1.838 -0.802) 2.006 4.096 ( -0.000 0.921 1.952) 2.158 4.364 ( -0.000 -3.264 0.818) 3.365 4.525 ( 0.000 -7.595 -1.506) 7.743 5.266 ( 0.000 -3.708 -5.129) 6.329======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 0.647 0.641 -1.722) 1.948 1.296 ( -1.864 -0.435 0.106) 1.917 1.320 ( -0.541 2.609 -6.721) 7.230 1.848 ( 2.758 8.372 -0.034) 8.814 2.003 ( 3.539 -0.532 1.461) 3.865 2.807 ( 1.632 19.137 -0.407) 19.211 3.826 ( 0.667 0.518 -0.658) 1.070 3.890 ( -1.182 2.031 0.158) 2.355 4.161 ( 4.983 0.418 1.683) 5.276 4.318 ( -0.659 -3.959 -2.361) 4.657 4.468 ( 0.583 -3.505 0.937) 3.674 5.160 ( -5.543 -3.991 -4.126) 7.980======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 2.591 0.566 -0.055) 2.652 1.246 ( -1.215 -0.491 -0.183) 1.323 1.353 ( 0.913 3.717 -2.041) 4.338 1.931 ( 1.193 1.089 2.040) 2.603 2.151 ( 8.841 6.346 0.464) 10.893 2.997 ( 1.247 13.212 -1.112) 13.317 3.824 ( -2.465 1.579 -2.697) 3.980 3.885 ( 0.410 -0.359 -1.345) 1.451 4.212 ( -2.302 -0.160 -0.681) 2.406 4.314 ( 7.734 -2.939 -1.735) 8.453 4.484 ( 1.871 0.422 3.315) 3.829 4.984 ( -8.178 -3.624 -2.712) 9.347======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 0.223 -1.460 0.084) 1.479 1.266 ( 0.978 3.333 1.585) 3.818 1.413 ( 2.271 2.131 1.279) 3.367 1.951 ( 0.487 -1.046 2.281) 2.556 2.408 ( 10.606 9.506 0.309) 14.246 3.103 ( -0.498 6.725 -0.889) 6.802 3.753 ( -4.767 1.481 -5.497) 7.425 3.896 ( 2.024 -1.620 -1.531) 3.011 4.150 ( -3.239 -0.524 0.449) 3.312 4.437 ( 6.517 0.423 -0.757) 6.575 4.543 ( 2.692 0.496 2.962) 4.033 4.810 ( -6.651 -2.372 -1.613) 7.243======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.479 -0.734 0.049) 0.878 1.316 ( -0.342 3.724 1.380) 3.986 1.452 ( 0.499 -1.646 1.736) 2.444 1.943 ( -0.799 -0.853 1.179) 1.660 2.694 ( 8.000 12.068 0.727) 14.497 3.105 ( -2.394 -0.609 -0.474) 2.516 3.695 ( -1.797 3.279 -3.429) 5.073 3.907 ( 2.879 -3.582 -2.312) 5.144 4.101 ( -2.049 -0.621 1.891) 2.856 4.505 ( -1.823 4.166 2.235) 5.067 4.596 ( 1.990 -1.106 -0.946) 2.466 4.720 ( 0.414 -2.083 -0.921) 2.315======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( -0.010 -0.115 0.036) 0.121 1.330 ( -3.064 2.790 1.717) 4.485 1.409 ( -1.283 -3.608 -0.220) 3.836 1.919 ( -1.465 -0.257 0.498) 1.569 2.839 ( -8.106 9.485 -0.164) 12.478 3.069 ( 4.734 -4.590 0.609) 6.622 3.756 ( 3.484 5.828 0.645) 6.821 3.913 ( 3.827 -3.971 -4.636) 7.204 4.076 ( -0.354 -1.735 2.859) 3.363 4.504 ( -4.371 6.134 3.543) 8.324 4.559 ( -1.445 -3.916 -2.959) 5.117 4.753 ( 3.279 -1.067 -0.563) 3.494======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 1.102 0.011 -0.017) 1.102 1.254 ( -5.410 -1.341 0.913) 5.648 1.387 ( -0.339 0.718 0.821) 1.143 1.895 ( -1.003 -0.078 0.644) 1.195 2.667 ( -13.903 0.444 0.350) 13.915 3.122 ( 1.822 -0.851 -0.212) 2.022 3.843 ( 2.439 -3.347 -1.449) 4.388 3.988 ( 5.134 7.023 -3.860) 9.517 4.063 ( 0.970 -3.921 2.617) 4.813 4.457 ( -2.194 -6.385 -1.616) 6.942 4.526 ( -2.492 6.490 3.458) 7.764 4.787 ( 1.991 -0.146 -1.020) 2.242======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -4.219 -0.538 -0.109) 4.255 1.168 ( 0.973 0.118 0.290) 1.022 1.391 ( -1.052 1.132 0.990) 1.835 1.897 ( 0.780 0.645 1.742) 2.014 2.408 ( -14.220 -1.753 0.422) 14.334 3.095 ( -4.070 -0.215 -1.026) 4.203 3.811 ( 0.536 -4.382 -4.963) 6.643 4.033 ( 0.691 -5.758 1.293) 5.942 4.115 ( 0.917 5.465 -2.447) 6.058 4.354 ( -0.167 -7.425 0.277) 7.432 4.569 ( -2.210 7.020 2.953) 7.930 4.844 ( 5.167 1.067 -1.433) 5.467======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -5.968 2.342 -1.218) 6.526 1.200 ( 1.738 -0.388 -0.806) 1.955 1.360 ( -3.159 -0.099 -1.966) 3.722 1.933 ( -0.720 1.690 2.105) 2.794 2.163 ( -10.354 -1.316 0.676) 10.459 2.969 ( -10.342 1.441 -1.478) 10.546 3.768 ( 0.696 -1.918 -4.487) 4.929 3.981 ( -0.487 -4.834 0.803) 4.924 4.112 ( 0.591 -4.650 -2.161) 5.161 4.317 ( 0.639 -3.032 2.042) 3.711 4.605 ( -1.594 5.698 1.774) 6.177 4.971 ( 7.334 1.840 -3.200) 8.211======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 0.000 0.032 -2.029) 2.029 1.254 ( 0.000 -5.636 -6.839) 8.862 1.344 ( 0.000 2.826 -2.388) 3.700 1.911 ( 0.000 8.500 -0.646) 8.524 1.956 ( -0.000 -2.429 2.892) 3.777 2.979 ( 0.000 16.427 -0.822) 16.447 3.826 ( -0.000 0.619 0.284) 0.681 3.927 ( 0.000 2.273 -0.113) 2.276 4.113 ( -0.000 -0.559 0.883) 1.045 4.289 ( 0.000 -1.550 -4.821) 5.064 4.442 ( -0.000 -1.196 3.384) 3.589 5.152 ( 0.000 -5.024 -3.260) 5.990======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 1.569 0.040 -0.848) 1.784 1.201 ( 2.381 -4.065 -4.558) 6.555 1.362 ( 0.506 1.530 -1.067) 1.933 1.933 ( -0.120 -0.662 2.613) 2.698 2.057 ( 6.985 5.130 -0.444) 8.677 3.117 ( -0.202 11.425 -1.168) 11.486 3.844 ( 0.807 1.276 -0.310) 1.541 3.920 ( -2.851 1.381 -1.093) 3.351 4.150 ( 5.190 -1.057 -2.239) 5.751 4.252 ( -1.766 -0.405 -2.936) 3.450 4.473 ( 1.576 1.664 4.398) 4.960 5.048 ( -4.452 -5.041 -2.088) 7.042======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( 1.677 -0.991 0.250) 1.964 1.234 ( 4.559 -0.007 -1.293) 4.739 1.395 ( 1.858 0.784 1.001) 2.252 1.937 ( 0.656 -1.160 1.989) 2.394 2.270 ( 11.685 4.766 -0.541) 12.631 3.193 ( -1.281 6.581 -0.927) 6.769 3.831 ( -4.135 1.676 -6.323) 7.739 3.887 ( -0.929 0.635 2.446) 2.693 4.201 ( -2.904 -0.222 -0.626) 2.979 4.261 ( 9.410 -1.078 -2.440) 9.781 4.535 ( 1.358 1.867 3.335) 4.056 4.904 ( -6.156 -3.064 -0.787) 6.921======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.371 -0.708 0.016) 0.799 1.316 ( 3.552 1.363 -0.809) 3.890 1.430 ( 1.006 -1.242 1.984) 2.547 1.941 ( 0.398 -0.880 0.576) 1.125 2.554 ( 14.975 3.990 0.306) 15.501 3.190 ( -4.316 2.297 -0.773) 4.950 3.756 ( -3.363 2.536 -4.949) 6.499 3.874 ( -1.541 -0.852 2.175) 2.798 4.146 ( -2.985 -0.189 0.508) 3.034 4.428 ( 10.180 -0.102 -1.685) 10.319 4.566 ( 0.203 -0.092 1.487) 1.503 4.780 ( -5.652 -0.319 0.158) 5.663======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -0.118 -0.045 -0.007) 0.127 1.372 ( 1.862 -0.104 -0.816) 2.036 1.402 ( -2.244 -1.749 0.211) 2.853 1.933 ( -0.464 -0.605 -0.305) 0.821 2.838 ( 13.765 -0.963 -0.043) 13.799 3.082 ( -8.759 0.740 -0.188) 8.792 3.766 ( 0.854 3.992 0.981) 4.199 3.841 ( -0.148 -0.919 -0.693) 1.160 4.098 ( -2.280 -0.680 0.989) 2.577 4.545 ( -1.490 -2.223 -1.554) 3.094 4.572 ( 4.721 0.889 -0.600) 4.841 4.712 ( -1.643 0.933 1.443) 2.377======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 0.038 0.102 -0.020) 0.111 1.305 ( -3.061 -4.015 -0.759) 5.105 1.412 ( 0.076 2.563 0.060) 2.565 1.912 ( -1.018 -0.489 -0.170) 1.143 2.842 ( -6.614 -9.303 0.143) 11.415 3.059 ( 3.244 3.873 -0.319) 5.062 3.757 ( -0.075 -4.976 0.455) 4.997 3.955 ( 6.302 8.880 -0.641) 10.908 4.055 ( -1.674 -1.887 1.164) 2.778 4.442 ( -4.083 -5.909 -2.315) 7.546 4.617 ( -0.440 3.030 2.293) 3.825 4.750 ( 2.502 1.276 -0.509) 2.854======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 0.911 0.052 -0.109) 0.919 1.220 ( -2.976 -1.737 -0.175) 3.451 1.438 ( -0.657 3.099 1.232) 3.399 1.896 ( -0.092 -0.277 0.688) 0.748 2.598 ( -10.887 -7.186 0.590) 13.059 3.116 ( 0.706 0.612 -0.975) 1.350 3.707 ( 1.390 -6.123 -3.077) 6.992 4.001 ( -1.687 -3.510 0.764) 3.968 4.142 ( 3.559 7.513 -1.157) 8.394 4.295 ( -2.868 -8.296 -0.056) 8.778 4.662 ( 0.020 4.905 1.981) 5.290 4.796 ( 1.898 1.583 -0.799) 2.597======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -1.129 0.711 -2.162) 2.541 1.171 ( -0.483 -0.074 0.674) 0.833 1.443 ( -3.789 3.623 0.405) 5.258 1.925 ( 2.821 0.525 2.426) 3.758 2.335 ( -11.316 -5.489 -0.095) 12.577 3.096 ( -3.542 1.011 -1.043) 3.828 3.670 ( 2.985 -5.290 -5.375) 8.111 3.934 ( -1.255 -4.825 1.491) 5.204 4.110 ( -4.547 -5.004 -1.535) 6.933 4.280 ( 2.456 0.247 0.801) 2.595 4.704 ( -2.112 5.347 0.890) 5.818 4.875 ( 5.249 2.177 -0.881) 5.751======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( 0.000 0.199 -0.783) 0.808 1.104 ( 0.000 -4.392 -4.212) 6.085 1.363 ( 0.000 0.213 -0.003) 0.213 1.927 ( -0.000 -2.126 2.553) 3.323 2.044 ( 0.000 4.854 -0.483) 4.878 3.210 ( 0.000 7.235 -1.559) 7.402 3.838 ( 0.000 0.466 -0.021) 0.466 3.966 ( 0.000 1.405 -0.019) 1.405 4.092 ( 0.000 1.155 -6.793) 6.890 4.259 ( 0.000 -0.373 -1.179) 1.236 4.502 ( -0.000 3.573 5.724) 6.747 5.024 ( 0.000 -5.692 -1.545) 5.898======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 1.756 -0.833 -0.197) 1.953 1.129 ( 5.118 -0.223 -0.844) 5.191 1.375 ( 1.117 -0.045 1.249) 1.676 1.918 ( 0.451 -1.453 1.321) 2.015 2.140 ( 6.570 2.583 -0.069) 7.060 3.256 ( -0.421 3.518 -1.444) 3.826 3.859 ( 0.907 0.683 -1.979) 2.282 3.942 ( -2.991 1.149 -0.028) 3.204 4.123 ( 4.290 1.147 -6.036) 7.494 4.239 ( -1.546 -0.347 0.068) 1.586 4.557 ( 0.107 2.304 5.305) 5.785 4.944 ( -2.760 -3.424 -0.844) 4.478======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 1.536 -0.063 -0.123) 1.542 1.233 ( 5.583 0.480 -0.816) 5.663 1.403 ( 1.477 -0.704 1.932) 2.532 1.920 ( 0.797 -0.947 -0.197) 1.253 2.326 ( 12.432 0.464 0.803) 12.467 3.254 ( -1.755 0.242 -1.280) 2.186 3.826 ( -3.188 1.841 -5.682) 6.770 3.920 ( -2.084 0.022 3.955) 4.471 4.200 ( -2.764 0.094 0.521) 2.814 4.240 ( 9.463 0.938 -3.267) 10.055 4.573 ( -0.532 -0.924 3.310) 3.477 4.865 ( -4.263 0.117 -0.220) 4.270======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 0.402 0.680 -0.032) 0.790 1.305 ( 3.365 -1.835 -1.913) 4.284 1.408 ( -0.043 -0.960 -0.223) 0.986 1.922 ( 0.554 -0.651 -1.293) 1.550 2.556 ( 14.027 -4.152 0.525) 14.638 3.189 ( -3.917 -1.723 -0.853) 4.364 3.816 ( -0.120 5.132 -0.509) 5.158 3.872 ( -3.490 -1.461 3.461) 5.128 4.146 ( -3.417 -0.239 0.566) 3.472 4.426 ( 10.294 1.278 -2.261) 10.617 4.547 ( -1.320 -2.253 0.194) 2.618 4.791 ( -4.705 0.969 1.040) 4.915======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.500 0.810 -0.007) 0.952 1.283 ( -0.387 -5.078 -1.882) 5.429 1.415 ( 1.287 0.987 -1.996) 2.572 1.917 ( -0.145 -0.226 -1.468) 1.492 2.679 ( 7.960 -11.714 -0.826) 14.186 3.115 ( -2.631 0.511 0.519) 2.730 3.778 ( -4.884 -2.657 4.839) 7.371 3.943 ( 5.051 7.940 1.378) 9.511 4.081 ( -3.125 -1.282 -0.079) 3.379 4.461 ( -4.412 -4.430 -1.898) 6.534 4.584 ( 6.187 1.259 -2.225) 6.695 4.753 ( -1.008 1.836 2.244) 3.070======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -0.317 0.471 0.313) 0.648 1.222 ( -0.560 -3.366 -0.755) 3.495 1.451 ( 2.158 1.305 -1.314) 2.843 1.904 ( -0.822 0.366 -1.043) 1.377 2.601 ( -1.019 -13.206 -0.037) 13.246 3.111 ( 0.450 0.814 0.130) 0.939 3.679 ( -4.024 -3.187 2.664) 5.783 4.008 ( -2.714 -2.907 -0.637) 4.028 4.126 ( 5.701 5.702 2.104) 8.333 4.303 ( -6.138 -5.647 -1.713) 8.514 4.672 ( 3.328 2.192 -0.043) 3.985 4.791 ( 1.065 2.663 0.246) 2.878======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.300 0.519 -0.000) 0.600 1.190 ( -0.666 -1.153 -0.000) 1.332 1.512 ( 1.916 3.318 -0.000) 3.831 1.896 ( 0.141 0.245 -0.000) 0.282 2.412 ( -6.043 -10.467 -0.000) 12.087 3.127 ( 0.269 0.467 -0.000) 0.539 3.598 ( -1.843 -3.193 -0.000) 3.686 3.926 ( -2.251 -3.899 -0.000) 4.502 4.126 ( -4.355 -7.543 0.000) 8.710 4.256 ( 1.980 3.430 -0.000) 3.961 4.766 ( 2.779 4.813 -0.000) 5.558 4.827 ( 0.922 1.598 0.000) 1.845======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( -0.000 2.073 1.693) 2.677 1.085 ( -0.000 0.486 0.995) 1.107 1.369 ( -0.000 -0.014 1.952) 1.952 1.903 ( -0.000 -1.064 0.371) 1.127 2.097 ( -0.000 0.290 0.328) 0.438 3.275 ( 0.000 0.565 -1.506) 1.608 3.844 ( -0.000 0.036 0.124) 0.129 3.978 ( 0.000 -0.090 -0.600) 0.607 4.083 ( 0.000 2.643 -9.540) 9.899 4.248 ( -0.000 -0.384 0.507) 0.636 4.588 ( -0.000 -1.302 6.876) 6.998 4.947 ( 0.000 0.605 -0.721) 0.941======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 0.671 1.269 1.000) 1.749 1.163 ( 3.885 2.923 1.858) 5.204 1.385 ( 0.808 -0.078 2.611) 2.734 1.899 ( 0.406 -0.470 -0.705) 0.940 2.150 ( 6.865 -1.960 1.031) 7.213 3.256 ( -0.574 -2.658 -1.436) 3.076 3.849 ( -0.039 -0.040 -2.409) 2.410 3.957 ( -1.253 -0.337 1.027) 1.655 4.117 ( 4.570 2.204 -6.788) 8.475 4.238 ( -1.165 0.171 0.385) 1.239 4.570 ( -0.355 -4.705 6.168) 7.766 4.950 ( -3.019 4.470 -0.263) 5.401======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 1.315 1.201 0.529) 1.857 1.238 ( 1.883 0.301 -0.908) 2.112 1.396 ( 0.127 -0.808 1.038) 1.322 1.901 ( 0.575 -0.141 -1.607) 1.713 2.288 ( 11.226 -5.029 1.260) 12.365 3.190 ( -1.264 -5.713 -1.207) 5.974 3.848 ( 0.656 2.709 -1.647) 3.237 3.922 ( -2.442 -2.019 2.885) 4.286 4.207 ( -2.854 0.340 0.170) 2.880 4.257 ( 9.569 2.410 -3.197) 10.373 4.535 ( -0.237 -4.163 3.544) 5.473 4.914 ( -6.161 4.303 0.171) 7.517======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 0.298 1.537 0.301) 1.594 1.221 ( -0.273 -4.595 -2.892) 5.436 1.392 ( 0.584 -0.546 -0.923) 1.221 1.907 ( 0.582 0.446 -2.099) 2.223 2.403 ( 9.652 -10.302 -0.202) 14.119 3.114 ( -0.030 -5.523 0.238) 5.528 3.849 ( -3.634 -2.975 3.924) 6.120 3.939 ( 4.080 5.215 2.749) 7.169 4.143 ( -4.469 -0.032 -0.084) 4.470 4.442 ( 8.324 1.014 -1.618) 8.540 4.487 ( -1.332 -2.705 -1.172) 3.235 4.842 ( -5.696 3.550 1.502) 6.877======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( -0.783 -2.110 -0.192) 2.259 1.174 ( 0.928 -1.671 -1.178) 2.246 1.402 ( 1.991 -1.175 -1.246) 2.627 1.917 ( 0.131 1.520 -2.333) 2.787 2.412 ( 5.510 -13.343 -0.409) 14.442 3.085 ( 1.759 -3.903 0.982) 4.392 3.761 ( -4.942 -2.035 5.415) 7.609 4.037 ( -2.930 -2.384 0.708) 3.843 4.094 ( 2.710 3.698 1.576) 4.848 4.363 ( -5.845 -3.440 -1.389) 6.923 4.594 ( 6.531 1.036 -2.249) 6.985 4.828 ( -1.267 4.782 1.773) 5.255======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -0.000 0.447 2.014) 2.063 1.186 ( -0.000 6.489 3.129) 7.204 1.391 ( -0.000 0.388 3.662) 3.682 1.894 ( 0.000 0.645 -0.839) 1.058 2.057 ( -0.000 -4.659 0.785) 4.725 3.212 ( 0.000 -6.471 -1.445) 6.630 3.838 ( 0.000 -0.655 -0.133) 0.669 3.959 ( 0.000 -1.177 -0.601) 1.322 4.075 ( 0.000 2.197 -8.257) 8.545 4.251 ( 0.000 0.590 -0.650) 0.878 4.536 ( -0.000 -5.836 7.432) 9.449 5.042 ( -0.000 7.100 0.314) 7.107======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 0.513 0.380 1.738) 1.852 1.250 ( -0.572 3.678 0.319) 3.736 1.401 ( -0.594 -0.224 2.956) 3.023 1.897 ( -0.411 0.727 -0.871) 1.206 2.072 ( 7.234 -6.111 1.004) 9.522 3.116 ( -0.163 -10.702 -1.335) 10.786 3.841 ( 1.268 0.150 -0.210) 1.294 3.934 ( -1.125 -2.155 -0.172) 2.437 4.130 ( 6.106 2.636 -4.655) 8.118 4.246 ( -1.107 0.872 -1.552) 2.097 4.509 ( -0.110 -3.616 6.432) 7.380 5.075 ( -4.715 6.733 0.520) 8.236======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 0.761 -1.934 -0.377) 2.112 1.231 ( -2.930 0.175 -1.300) 3.211 1.385 ( -0.752 -1.044 1.083) 1.682 1.896 ( 0.449 0.125 -1.232) 1.317 2.147 ( 8.190 -8.335 0.026) 11.685 3.008 ( 2.051 -11.943 -0.009) 12.118 3.869 ( -1.567 -2.662 1.413) 3.396 3.911 ( 3.796 1.124 1.540) 4.248 4.214 ( -2.645 0.309 -0.520) 2.714 4.292 ( 8.978 3.348 -3.335) 10.146 4.490 ( -1.270 -1.557 3.416) 3.963 5.022 ( -8.025 5.691 1.084) 9.897======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( 0.250 -6.785 -3.200) 7.506 1.202 ( -1.298 1.740 0.663) 2.270 1.368 ( 0.070 -1.920 1.378) 2.364 1.909 ( 1.349 0.135 -1.700) 2.174 2.176 ( 6.293 -10.318 -0.726) 12.107 2.958 ( 4.973 -10.473 1.177) 11.653 3.808 ( -1.975 -2.708 2.377) 4.109 4.007 ( 3.775 -1.193 2.981) 4.956 4.160 ( -3.983 2.027 -0.302) 4.480 4.420 ( -3.190 -1.854 0.063) 3.690 4.476 ( 6.284 2.603 -2.407) 7.215 4.955 ( -5.822 6.231 2.503) 8.888======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -0.000 -0.341 1.507) 1.545 1.294 ( 0.000 2.135 -1.029) 2.370 1.422 ( -0.000 -0.025 3.286) 3.286 1.918 ( -0.000 -9.103 0.101) 9.104 1.935 ( -0.000 3.459 1.189) 3.657 2.973 ( 0.000 -16.190 -1.440) 16.254 3.818 ( 0.000 -0.901 -0.496) 1.029 3.928 ( -0.000 -1.627 0.056) 1.628 4.080 ( 0.000 1.974 -3.105) 3.679 4.260 ( 0.000 1.737 -3.651) 4.043 4.511 ( -0.000 -0.556 6.840) 6.862 5.191 ( -0.000 6.849 0.653) 6.880======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -0.756 -2.351 -0.489) 2.518 1.272 ( -2.098 -1.244 -2.138) 3.243 1.402 ( -1.790 -1.222 1.387) 2.573 1.844 ( 2.417 -8.277 -0.331) 8.629 2.001 ( 2.497 1.250 1.382) 3.115 2.806 ( 2.627 -18.841 -0.523) 19.031 3.843 ( 3.581 -0.672 -0.045) 3.644 3.882 ( -2.441 -2.032 0.302) 3.191 4.158 ( 5.929 0.371 1.171) 6.055 4.267 ( -0.081 4.257 -5.071) 6.621 4.529 ( -1.221 1.893 4.884) 5.378 5.210 ( -5.426 6.044 0.799) 8.161======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -2.699 -8.283 -5.069) 10.079 1.229 ( -0.562 -0.661 -0.393) 0.953 1.366 ( -1.066 -1.933 2.879) 3.627 1.821 ( 4.259 -8.409 -0.344) 9.432 2.042 ( 1.623 -0.331 0.119) 1.661 2.707 ( 7.386 -17.660 0.622) 19.153 3.811 ( -1.493 -2.620 -0.813) 3.123 3.925 ( 4.445 -1.011 2.010) 4.982 4.200 ( 0.436 -1.674 -0.210) 1.743 4.376 ( 5.367 6.414 -1.081) 8.433 4.521 ( -3.961 2.709 1.403) 5.000 5.150 ( -7.647 5.784 1.996) 9.793======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( 0.000 -2.875 -1.087) 3.074 1.250 ( 0.000 -4.935 -3.311) 5.943 1.406 ( 0.000 -2.147 -1.359) 2.541 1.703 ( 0.000 -11.093 -1.021) 11.140 2.029 ( -0.000 3.560 2.993) 4.651 2.557 ( 0.000 -23.384 -0.386) 23.387 3.801 ( 0.000 -0.589 -0.173) 0.614 3.897 ( -0.000 -1.470 0.429) 1.532 4.104 ( -0.000 -0.365 2.885) 2.908 4.298 ( 0.000 5.629 -4.816) 7.408 4.588 ( -0.000 4.194 3.793) 5.655 5.321 ( -0.000 5.595 0.291) 5.602======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -6.018 -9.332 -6.926) 13.087 1.194 ( 1.498 -4.798 -1.811) 5.342 1.364 ( -0.564 -3.201 0.576) 3.301 1.637 ( 4.414 -9.965 -1.117) 10.956 2.060 ( -0.697 2.030 2.110) 3.010 2.369 ( 6.392 -23.345 0.293) 24.206 3.799 ( -0.218 -1.953 -1.700) 2.598 3.879 ( 0.582 0.063 2.140) 2.218 4.136 ( 2.928 -2.959 1.399) 4.392 4.382 ( 2.827 8.360 -0.505) 8.839 4.625 ( -2.433 5.067 1.183) 5.744 5.326 ( -5.185 4.967 0.504) 7.198======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 0.000 -9.042 -6.488) 11.129 1.056 ( 0.000 -10.613 -7.876) 13.217 1.318 ( 0.000 -6.399 -0.488) 6.417 1.497 ( 0.000 -7.775 -0.263) 7.779 2.055 ( -0.000 -22.650 2.529) 22.791 2.095 ( -0.000 -1.094 0.192) 1.111 3.783 ( 0.000 -1.229 -0.347) 1.277 3.886 ( -0.000 0.131 1.079) 1.086 4.082 ( -0.000 -3.029 1.809) 3.528 4.445 ( -0.000 8.993 2.809) 9.421 4.705 ( 0.000 5.780 -0.447) 5.798 5.420 ( 0.000 4.345 -1.033) 4.466======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( -0.000 0.000 18.874) 18.874 0.369 ( -0.000 0.000 18.874) 18.874 0.596 ( -0.000 0.000 31.358) 31.358 1.316 ( 0.000 -0.000 -1.923) 1.923 1.316 ( 0.000 -0.000 -1.923) 1.923 2.825 ( 0.000 -0.000 -9.141) 9.141 3.726 ( -0.000 0.000 0.988) 0.988 3.726 ( -0.000 0.000 0.988) 0.988 3.932 ( 0.000 -0.000 -1.134) 1.134 3.932 ( 0.000 -0.000 -1.134) 1.134 4.917 ( -0.000 0.000 1.762) 1.762 5.797 ( 0.000 -0.000 -0.330) 0.330======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.342 ( 2.449 1.414 14.238) 14.516 0.398 ( -1.132 -0.654 19.368) 19.412 1.032 ( 18.077 10.437 18.460) 27.865 1.333 ( 1.624 0.937 -1.589) 2.457 1.394 ( 7.161 4.134 -2.835) 8.741 2.324 ( -16.548 -9.554 7.897) 20.676 3.733 ( 0.420 0.242 0.989) 1.102 3.931 ( -0.196 -0.113 -0.984) 1.010 3.948 ( 2.232 1.288 -0.732) 2.679 4.310 ( 21.342 12.322 -22.957) 33.680 4.933 ( 0.579 0.334 1.799) 1.919 5.614 ( -12.158 -7.020 3.349) 14.433======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( 5.720 3.302 6.485) 9.256 0.535 ( 9.916 5.725 5.329) 12.629 1.313 ( 3.621 2.091 2.578) 4.912 1.385 ( 3.345 1.931 -0.917) 3.970 1.703 ( 17.314 9.996 3.155) 20.240 2.119 ( -3.531 -2.038 1.691) 4.413 3.749 ( 0.740 0.427 0.649) 1.073 3.920 ( -0.439 -0.254 -0.759) 0.913 4.029 ( 4.426 2.555 0.976) 5.203 4.537 ( 5.823 3.362 -12.603) 14.284 4.917 ( -4.258 -2.458 5.296) 7.227 5.333 ( -10.602 -6.121 -3.727) 12.797======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( 7.737 4.467 -3.279) 9.516 0.785 ( 9.818 5.668 0.699) 11.358 1.331 ( -1.084 -0.626 -1.763) 2.162 1.493 ( 6.146 3.548 -0.056) 7.097 1.999 ( 5.590 3.227 -4.200) 7.701 2.232 ( 13.311 7.685 4.937) 16.144 3.770 ( 0.920 0.531 0.266) 1.095 3.910 ( -0.175 -0.101 -0.505) 0.544 4.139 ( 3.847 2.221 1.397) 4.657 4.580 ( 0.199 0.115 -3.754) 3.761 4.720 ( -12.775 -7.376 6.512) 16.125 5.148 ( -3.479 -2.008 -9.601) 10.408======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 9.374 5.412 -6.677) 12.718 0.975 ( 6.326 3.652 -1.519) 7.461 1.284 ( -1.902 -1.098 -1.995) 2.967 1.674 ( 8.951 5.168 0.213) 10.338 2.082 ( 3.074 1.775 -1.502) 3.855 2.584 ( 14.184 8.189 1.142) 16.418 3.794 ( 0.999 0.577 0.248) 1.180 3.910 ( 0.315 0.182 -0.343) 0.500 4.143 ( -6.897 -3.982 -0.453) 7.977 4.393 ( -8.677 -5.010 5.337) 11.352 4.636 ( 1.969 1.137 -2.782) 3.593 5.068 ( -1.811 -1.046 -5.974) 6.329======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 8.067 4.657 -5.744) 10.944 1.080 ( 3.433 1.982 -2.089) 4.481 1.260 ( 1.681 0.970 -0.892) 2.136 1.888 ( 8.738 5.045 -0.386) 10.097 2.118 ( -0.405 -0.234 -0.130) 0.485 2.880 ( 10.683 6.168 0.454) 12.343 3.817 ( 0.827 0.477 0.514) 1.085 3.853 ( -13.314 -7.687 0.946) 15.402 3.921 ( 0.658 0.380 -0.164) 0.777 4.322 ( -1.098 -0.634 -0.197) 1.283 4.693 ( 3.214 1.855 -1.110) 3.873 5.014 ( -1.940 -1.120 -2.137) 3.096======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 0.911 0.526 -2.940) 3.123 1.133 ( 1.774 1.024 -2.002) 2.864 1.409 ( 9.262 5.348 -3.067) 11.126 2.047 ( -5.463 -3.154 -0.078) 6.309 2.057 ( 5.478 3.163 -0.921) 6.392 3.079 ( 5.892 3.402 1.580) 6.985 3.629 ( -5.577 -3.220 4.261) 7.722 3.833 ( 0.292 0.169 0.754) 0.826 3.937 ( 0.634 0.366 0.082) 0.736 4.301 ( -0.584 -0.337 -1.212) 1.387 4.776 ( 4.173 2.409 -1.346) 5.003 4.952 ( -3.230 -1.865 -0.473) 3.759======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 1.600 0.924 -0.988) 2.096 1.155 ( 0.674 0.389 -1.675) 1.847 1.564 ( 3.231 1.866 -6.097) 7.148 1.916 ( -3.439 -1.986 0.250) 3.979 2.126 ( 0.548 0.317 -0.876) 1.081 3.164 ( 0.843 0.487 2.724) 2.893 3.621 ( 2.451 1.415 9.079) 9.510 3.834 ( -0.360 -0.208 0.804) 0.905 3.948 ( 0.218 0.126 0.248) 0.354 4.289 ( -0.130 -0.075 -1.281) 1.289 4.847 ( -3.850 -2.223 -3.420) 5.609 4.888 ( 4.129 2.384 1.266) 4.933======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( -0.271 -0.156 -1.071) 1.115 1.199 ( 2.771 1.600 1.068) 3.373 1.508 ( -4.755 -2.745 -1.227) 5.626 1.931 ( 3.506 2.024 -3.849) 5.586 2.075 ( -4.715 -2.722 -0.289) 5.452 3.129 ( -5.061 -2.922 3.517) 6.820 3.767 ( 6.870 3.967 10.155) 12.887 3.824 ( -0.673 -0.389 0.601) 0.983 3.947 ( -0.464 -0.268 0.270) 0.600 4.280 ( -0.475 -0.274 -1.739) 1.823 4.718 ( -4.908 -2.834 -4.235) 7.075 5.020 ( 5.931 3.424 1.814) 7.085======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -1.489 -0.860 0.037) 1.720 1.255 ( 0.428 0.247 2.913) 2.955 1.411 ( -3.067 -1.771 4.085) 5.406 1.914 ( -8.727 -5.038 0.567) 10.093 2.001 ( 3.409 1.968 -5.048) 6.401 2.932 ( -12.694 -7.329 2.563) 14.881 3.810 ( -0.543 -0.314 0.293) 0.693 3.928 ( -1.092 -0.630 0.073) 1.263 3.984 ( 8.956 5.171 6.216) 12.066 4.246 ( -1.954 -1.128 -1.777) 2.872 4.622 ( -1.609 -0.929 -4.663) 5.019 5.169 ( 5.942 3.430 3.048) 7.508======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -3.837 -2.215 2.242) 4.966 1.205 ( -5.477 -3.162 6.476) 9.051 1.385 ( -1.356 -0.783 2.806) 3.213 1.693 ( -9.673 -5.585 1.094) 11.223 2.058 ( 2.431 1.403 -2.925) 4.054 2.555 ( -19.401 -11.201 -0.001) 22.402 3.800 ( -0.474 -0.274 0.160) 0.571 3.901 ( -1.054 -0.609 -0.422) 1.289 4.141 ( -0.117 -0.068 -5.031) 5.033 4.253 ( 6.603 3.812 4.683) 8.947 4.620 ( 2.342 1.352 -3.041) 4.070 5.310 ( 5.118 2.955 2.784) 6.533======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.380 ( -0.000 10.335 7.505) 12.773 0.694 ( -0.000 10.822 14.779) 18.317 0.995 ( -0.000 13.801 24.041) 27.721 1.308 ( 0.000 1.278 -2.998) 3.259 1.393 ( 0.000 7.591 -2.403) 7.962 2.354 ( -0.000 -18.516 4.737) 19.113 3.741 ( -0.000 0.729 0.941) 1.190 3.906 ( 0.000 -1.164 -1.387) 1.811 3.951 ( 0.000 2.685 -1.536) 3.093 4.218 ( 0.000 21.452 -17.912) 27.947 4.935 ( -0.000 -0.000 1.889) 1.889 5.649 ( -0.000 -10.537 1.661) 10.667======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( 2.413 15.830 0.171) 16.014 0.707 ( -9.898 12.142 15.927) 22.340 1.260 ( 4.453 3.071 4.922) 7.314 1.372 ( 3.574 4.578 0.311) 5.816 1.572 ( 10.957 13.339 3.047) 17.529 2.162 ( -4.668 -6.947 0.910) 8.419 3.753 ( 0.101 1.077 1.161) 1.587 3.896 ( 0.947 -1.612 -1.516) 2.407 4.004 ( 2.567 3.459 0.148) 4.310 4.409 ( 7.348 6.732 -13.370) 16.675 4.932 ( -0.305 -2.887 2.931) 4.126 5.455 ( -9.671 -8.073 -1.236) 12.658======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( -2.644 10.598 5.942) 12.434 0.802 ( 1.656 14.720 1.426) 14.881 1.312 ( 1.094 -1.006 -1.318) 1.987 1.471 ( 2.644 6.214 -0.421) 6.766 1.917 ( 8.558 8.723 -2.363) 12.447 2.137 ( 6.454 4.169 3.653) 8.508 3.771 ( 0.071 1.219 1.192) 1.706 3.896 ( 1.118 -1.071 -1.426) 2.105 4.103 ( 3.792 3.364 1.568) 5.306 4.511 ( 4.600 0.344 -7.392) 8.713 4.844 ( -6.305 -8.717 6.653) 12.649 5.201 ( -9.020 -2.968 -7.774) 12.273======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.800 ( 1.517 8.866 1.855) 9.184 0.974 ( 2.643 10.922 -2.811) 11.583 1.287 ( -0.950 -1.967 -1.940) 2.921 1.617 ( 5.606 8.352 0.175) 10.061 2.036 ( 3.613 2.623 -2.265) 5.006 2.443 ( 13.196 10.772 1.683) 17.117 3.786 ( 0.155 0.364 1.098) 1.167 3.906 ( 0.827 0.454 -1.378) 1.670 4.178 ( 0.410 0.778 0.364) 0.951 4.541 ( -4.540 -4.253 3.597) 7.186 4.597 ( -5.233 -4.692 -1.771) 7.248 5.061 ( -2.476 -2.020 -6.868) 7.575======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 5.223 6.526 0.454) 8.371 1.097 ( 1.638 8.164 -3.563) 9.057 1.251 ( -0.088 -0.704 -1.037) 1.256 1.821 ( 6.863 8.695 -0.013) 11.077 2.106 ( 1.991 1.328 -0.464) 2.438 2.765 ( 11.143 9.142 0.188) 14.414 3.778 ( -0.637 -3.173 0.970) 3.379 3.925 ( 0.485 1.723 -1.256) 2.187 4.070 ( -11.291 -1.323 0.604) 11.384 4.352 ( -4.557 -1.493 0.261) 4.803 4.633 ( 4.145 0.001 -1.411) 4.379 4.999 ( -0.179 -3.288 -2.639) 4.220======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 2.983 2.092 -1.258) 3.855 1.151 ( -0.530 2.530 -1.917) 3.218 1.328 ( 5.866 6.144 -0.904) 8.543 1.995 ( 3.927 3.251 -0.090) 5.099 2.121 ( -1.554 3.549 -1.140) 4.038 3.010 ( 7.555 5.754 1.341) 9.591 3.675 ( -4.275 -6.236 1.885) 7.792 3.924 ( -5.018 3.529 2.991) 6.825 3.955 ( -1.346 4.454 -1.559) 4.907 4.300 ( -0.918 -1.012 -1.656) 2.147 4.704 ( 4.517 0.121 -1.901) 4.902 4.957 ( -0.550 -3.693 -0.038) 3.734======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 1.556 0.371 -2.141) 2.673 1.163 ( -0.021 1.931 -0.844) 2.107 1.484 ( 5.201 3.227 -3.529) 7.066 1.959 ( -3.957 -3.859 0.156) 5.529 2.179 ( -1.099 8.650 -1.800) 8.903 3.149 ( 3.078 1.899 2.738) 4.536 3.615 ( 1.067 -1.008 6.217) 6.387 3.903 ( -3.449 3.908 3.395) 6.220 3.977 ( -1.189 4.456 -1.107) 4.743 4.279 ( 0.197 -1.064 -1.505) 1.853 4.784 ( 5.384 -0.703 -3.179) 6.292 4.894 ( -2.380 -3.262 0.757) 4.108======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 1.949 0.286 -1.845) 2.699 1.182 ( 0.566 1.581 0.328) 1.711 1.509 ( -0.658 -3.162 -4.234) 5.325 1.893 ( -0.014 -0.498 -0.530) 0.727 2.190 ( -5.831 5.953 -1.444) 8.457 3.176 ( -1.568 -1.328 3.408) 3.979 3.711 ( 5.599 2.141 7.447) 9.560 3.891 ( -3.237 2.823 4.129) 5.958 3.995 ( -2.090 5.296 -0.331) 5.703 4.272 ( 0.400 -0.783 -1.546) 1.778 4.750 ( -3.857 -4.470 -4.446) 7.391 4.925 ( 6.611 0.117 1.209) 6.721======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.769 -0.467 -0.713) 1.148 1.230 ( 2.724 0.136 1.864) 3.303 1.435 ( -1.674 -3.381 0.152) 3.775 1.912 ( 2.090 -1.012 -2.425) 3.358 2.092 ( -9.307 3.257 -1.105) 9.922 3.074 ( -8.484 -4.262 2.832) 9.908 3.842 ( 1.390 3.327 -0.405) 3.629 3.881 ( 0.361 -0.508 6.110) 6.142 4.031 ( -0.481 8.058 3.400) 8.759 4.257 ( -0.864 -0.767 -1.877) 2.204 4.624 ( -3.009 -3.351 -5.125) 6.823 5.063 ( 8.308 -0.455 1.782) 8.509======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( -2.628 -3.921 2.191) 5.204 1.250 ( -0.627 -1.994 2.510) 3.266 1.401 ( -0.475 -1.258 1.601) 2.090 1.841 ( -9.174 -2.115 0.370) 9.422 2.020 ( 0.681 1.847 -2.669) 3.317 2.799 ( -17.181 -6.350 0.936) 18.341 3.832 ( -2.536 0.840 1.886) 3.270 3.893 ( -0.169 -0.619 -1.832) 1.941 4.169 ( 1.013 8.445 -0.415) 8.516 4.226 ( 1.168 0.050 2.900) 3.126 4.572 ( 1.585 -1.234 -4.154) 4.614 5.207 ( 8.145 -1.151 1.479) 8.357======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( 0.000 18.353 -3.187) 18.628 0.957 ( -0.000 7.060 8.240) 10.851 1.322 ( -0.000 5.967 9.874) 11.537 1.349 ( 0.000 5.210 -2.442) 5.754 1.641 ( -0.000 17.425 4.382) 17.968 2.126 ( 0.000 -6.610 -1.786) 6.847 3.765 ( -0.000 1.112 0.525) 1.230 3.875 ( 0.000 -0.954 -1.015) 1.393 4.006 ( 0.000 3.145 -0.501) 3.185 4.381 ( 0.000 5.637 -8.241) 9.984 4.902 ( -0.000 -5.719 3.135) 6.521 5.452 ( 0.000 -7.574 -3.806) 8.476======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -1.164 14.930 -3.888) 15.472 0.993 ( -3.908 7.969 6.016) 10.723 1.315 ( -2.572 2.241 0.893) 3.527 1.486 ( 3.657 6.506 -0.189) 7.466 1.904 ( 5.037 14.675 0.622) 15.528 2.091 ( 3.306 1.955 0.749) 3.913 3.791 ( 0.732 1.873 1.228) 2.356 3.856 ( 0.131 -1.284 -1.493) 1.973 4.077 ( 3.650 3.150 0.872) 4.900 4.426 ( 2.781 1.066 -4.632) 5.507 4.824 ( -1.428 -9.949 3.899) 10.780 5.303 ( -7.359 -4.019 -6.821) 10.809======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -3.273 9.586 0.863) 10.166 1.064 ( -0.445 10.379 -1.546) 10.503 1.283 ( -1.772 -0.948 -0.621) 2.103 1.629 ( 3.984 9.427 -0.037) 10.234 2.009 ( 2.034 3.387 -1.796) 4.340 2.357 ( 10.909 14.208 1.457) 17.972 3.807 ( -1.228 0.906 1.487) 2.131 3.870 ( 2.661 0.008 -2.025) 3.344 4.171 ( 2.393 2.289 1.030) 3.467 4.468 ( 3.964 -1.688 -1.480) 4.556 4.666 ( -5.605 -10.685 3.007) 12.435 5.110 ( -7.739 -1.696 -7.459) 10.882======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -0.390 8.920 3.981) 9.776 1.155 ( 0.523 8.613 -3.637) 9.364 1.241 ( -0.781 -1.396 -0.802) 1.789 1.813 ( 5.144 9.804 0.093) 11.072 2.086 ( 2.761 3.244 0.652) 4.310 2.683 ( 10.101 12.310 -0.771) 15.942 3.783 ( -1.997 -1.603 1.202) 2.828 3.913 ( 2.101 1.236 -2.916) 3.801 4.176 ( -3.055 -0.619 -0.362) 3.138 4.457 ( -7.143 -3.927 1.607) 8.308 4.546 ( 4.548 -0.665 -0.183) 4.600 4.969 ( -3.022 -3.626 -4.349) 6.418======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( -0.815 5.913 3.704) 7.025 1.179 ( -1.070 0.517 -0.736) 1.398 1.305 ( 4.334 7.204 -1.314) 8.510 1.969 ( 3.236 3.528 0.372) 4.802 2.177 ( 1.587 7.946 0.056) 8.103 2.945 ( 7.820 8.024 0.036) 11.204 3.698 ( -4.160 -3.914 0.210) 5.716 3.950 ( 1.497 1.549 -2.797) 3.530 4.099 ( -4.677 2.117 1.384) 5.317 4.338 ( -5.138 1.009 -0.767) 5.292 4.622 ( 3.993 -0.367 -0.712) 4.073 4.901 ( 1.027 -5.169 -0.836) 5.336======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( -1.402 1.616 0.159) 2.145 1.187 ( -0.294 2.601 0.591) 2.683 1.443 ( 3.471 4.384 -0.565) 5.620 1.976 ( -1.926 -2.868 0.619) 3.510 2.302 ( -0.380 13.022 -1.862) 13.160 3.114 ( 4.573 2.960 2.122) 5.846 3.617 ( -1.125 -0.950 2.281) 2.715 3.971 ( -0.352 1.257 -0.425) 1.373 4.089 ( -2.087 6.105 1.529) 6.630 4.272 ( -2.884 0.172 -1.200) 3.129 4.675 ( 3.936 -1.460 -2.597) 4.937 4.873 ( 0.786 -4.446 0.574) 4.552======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 0.462 1.040 -0.891) 1.445 1.206 ( -0.858 2.326 0.838) 2.617 1.479 ( -0.396 -1.710 -2.323) 2.912 1.907 ( -2.210 -1.426 0.600) 2.698 2.373 ( -5.476 11.125 -2.143) 12.583 3.181 ( 1.017 -0.682 3.165) 3.394 3.669 ( 4.145 2.889 4.673) 6.882 3.963 ( -1.649 0.665 1.196) 2.143 4.134 ( -3.183 9.565 1.684) 10.221 4.235 ( 0.572 -2.318 -1.285) 2.711 4.701 ( 2.244 -4.493 -4.175) 6.531 4.848 ( 1.248 -2.157 0.948) 2.666======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 1.172 0.983 -1.267) 1.987 1.209 ( -0.504 -0.013 1.992) 2.055 1.421 ( -1.213 -3.130 -1.232) 3.575 1.884 ( -0.041 -0.172 0.026) 0.178 2.313 ( -10.503 6.200 -1.304) 12.266 3.154 ( -3.602 -2.488 2.441) 5.012 3.814 ( 5.121 4.900 2.757) 7.605 3.934 ( -2.411 -0.109 1.126) 2.663 4.164 ( -3.740 7.455 3.199) 8.933 4.242 ( 1.427 0.282 -1.333) 1.973 4.621 ( -2.713 -5.128 -4.621) 7.417 4.907 ( 6.997 -2.353 0.854) 7.431======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -3.214 -2.301 1.706) 4.305 1.220 ( 1.991 -1.553 0.934) 2.692 1.391 ( 0.084 -1.148 -0.160) 1.162 1.890 ( 0.308 -0.068 -0.031) 0.317 2.148 ( -11.527 2.315 -0.274) 11.760 3.005 ( -10.965 -3.281 0.645) 11.464 3.870 ( -1.985 -2.375 1.143) 3.299 3.929 ( -0.800 5.529 -2.256) 6.025 4.199 ( 2.069 -0.239 2.868) 3.544 4.271 ( -1.916 8.141 0.595) 8.385 4.525 ( -0.633 -3.573 -3.750) 5.218 5.027 ( 9.246 -3.409 0.204) 9.857======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 0.000 14.007 -5.311) 14.981 1.066 ( -0.000 1.741 0.458) 1.800 1.402 ( -0.000 -0.205 0.287) 0.353 1.503 ( -0.000 9.990 -0.078) 9.991 1.989 ( 0.000 3.723 -3.523) 5.125 2.130 ( -0.000 17.073 4.756) 17.723 3.793 ( -0.000 1.212 0.812) 1.459 3.860 ( 0.000 0.222 -1.026) 1.050 4.066 ( -0.000 2.502 1.371) 2.853 4.405 ( 0.000 0.179 -1.194) 1.207 4.734 ( -0.000 -11.762 2.246) 11.974 5.308 ( 0.000 -3.238 -7.498) 8.167======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -1.739 3.765 -2.770) 4.987 1.146 ( 0.678 8.828 -4.262) 9.826 1.338 ( -4.033 -0.927 -0.941) 4.244 1.653 ( 4.051 9.770 -0.262) 10.580 2.004 ( 1.365 1.307 -1.256) 2.269 2.394 ( 4.751 20.124 1.994) 20.773 3.822 ( 1.355 -0.091 -0.492) 1.444 3.849 ( -1.015 1.872 0.400) 2.167 4.139 ( 3.960 2.166 1.777) 4.851 4.401 ( 0.951 -2.712 0.021) 2.874 4.610 ( -1.048 -10.739 0.876) 10.826 5.201 ( -6.017 -2.066 -7.085) 9.522======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 1.347 4.394 -0.678) 4.646 1.220 ( 0.204 7.578 -4.072) 8.606 1.264 ( -2.910 -1.028 0.123) 3.089 1.826 ( 4.312 8.908 -0.059) 9.897 2.069 ( 3.711 2.858 1.558) 4.936 2.680 ( 5.876 16.564 -0.903) 17.599 3.811 ( -1.639 -0.435 -0.080) 1.697 3.875 ( 1.401 0.824 -1.592) 2.276 4.204 ( -0.269 0.744 -0.397) 0.885 4.402 ( 4.888 -5.614 0.665) 7.474 4.517 ( -0.753 -3.317 1.583) 3.752 5.031 ( -8.060 -2.176 -5.296) 9.887======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 2.302 2.397 1.959) 3.858 1.207 ( -3.061 1.105 1.766) 3.703 1.312 ( 2.818 7.471 -2.361) 8.326 1.953 ( 2.483 2.887 0.941) 3.922 2.212 ( 5.301 8.743 1.430) 10.324 2.917 ( 5.279 10.937 -1.304) 12.214 3.743 ( -4.347 -1.859 -1.428) 4.939 3.904 ( 2.520 -0.041 -3.383) 4.219 4.162 ( -2.752 -0.514 -0.176) 2.805 4.427 ( 0.007 -0.029 0.575) 0.576 4.547 ( 4.058 0.032 1.878) 4.471 4.867 ( -4.854 -3.796 -2.833) 6.782======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -1.631 -0.844 0.155) 1.843 1.239 ( -0.649 4.417 2.520) 5.126 1.434 ( 2.958 4.373 0.651) 5.320 1.977 ( -0.510 -1.607 1.279) 2.117 2.418 ( 3.661 14.099 -0.078) 14.567 3.072 ( 3.853 4.010 0.224) 5.565 3.650 ( -3.074 -0.268 -1.346) 3.366 3.940 ( 2.952 -0.652 -3.714) 4.788 4.124 ( -0.971 -0.598 1.882) 2.201 4.409 ( -5.434 5.331 1.293) 7.722 4.608 ( 2.336 -0.517 -1.052) 2.613 4.791 ( 1.827 -4.893 -0.545) 5.252======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -0.801 0.106 0.053) 0.809 1.267 ( -1.734 3.772 2.066) 4.637 1.471 ( -0.673 -1.331 -0.306) 1.523 1.935 ( -2.085 -1.356 0.860) 2.631 2.579 ( -3.008 14.526 -1.269) 14.889 3.143 ( 2.876 -1.585 2.046) 3.869 3.655 ( 2.108 3.322 1.424) 4.184 3.960 ( 1.697 -1.477 -3.609) 4.253 4.130 ( 2.316 -2.036 2.013) 3.682 4.367 ( -6.878 7.786 2.144) 10.608 4.617 ( 1.257 -2.633 -2.509) 3.848 4.795 ( 2.520 -3.231 -0.207) 4.103======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.665 0.603 -0.185) 0.917 1.261 ( -3.288 1.623 2.371) 4.366 1.413 ( -1.639 -2.923 -0.577) 3.400 1.899 ( -1.378 -0.152 0.925) 1.666 2.571 ( -10.594 8.481 -1.009) 13.608 3.162 ( 0.769 -2.508 1.822) 3.194 3.784 ( 5.419 6.097 2.202) 8.449 3.946 ( 0.027 -1.925 -3.547) 4.036 4.154 ( 2.745 -4.034 0.083) 4.880 4.362 ( -4.466 9.643 3.735) 11.264 4.578 ( -0.365 -5.215 -2.753) 5.908 4.807 ( 2.397 -1.977 -0.457) 3.140======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 1.019 0.901 -0.364) 1.408 1.194 ( -3.667 -2.679 2.688) 5.278 1.385 ( -0.256 -0.253 0.554) 0.661 1.891 ( -0.047 0.447 1.333) 1.407 2.402 ( -13.865 2.645 0.044) 14.115 3.115 ( -4.399 -1.966 0.179) 4.822 3.875 ( -0.912 -2.657 -1.409) 3.142 3.966 ( 2.894 6.731 -2.980) 7.910 4.143 ( 1.697 -4.451 -0.056) 4.764 4.414 ( -2.760 9.388 3.700) 10.462 4.492 ( -1.470 -5.685 -1.695) 6.112 4.853 ( 5.890 -2.394 -0.874) 6.418======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( 0.000 0.317 -2.311) 2.332 1.213 ( 0.000 8.089 -7.454) 10.999 1.339 ( 0.000 -3.857 -3.931) 5.508 1.714 ( 0.000 10.356 -0.380) 10.363 1.992 ( -0.000 0.014 0.562) 0.563 2.581 ( -0.000 21.471 1.122) 21.500 3.817 ( -0.000 0.479 0.966) 1.079 3.877 ( 0.000 2.178 -0.907) 2.360 4.123 ( -0.000 1.318 3.764) 3.989 4.353 ( 0.000 -5.575 -2.635) 6.166 4.527 ( -0.000 -6.830 1.502) 6.993 5.212 ( 0.000 -2.452 -6.299) 6.759======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 1.111 1.032 -2.133) 2.617 1.247 ( 1.111 0.921 -8.135) 8.262 1.295 ( -1.144 1.621 -0.780) 2.132 1.846 ( 3.121 8.738 -0.440) 9.289 2.021 ( 3.329 -0.009 2.197) 3.988 2.801 ( 1.328 18.495 -0.738) 18.557 3.823 ( -0.115 0.511 0.065) 0.528 3.888 ( -1.193 1.650 -0.514) 2.100 4.183 ( 4.052 0.067 3.064) 5.081 4.274 ( 0.295 -6.053 -6.036) 8.553 4.495 ( 0.542 -2.111 3.982) 4.540 5.118 ( -5.342 -2.700 -4.806) 7.676======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 3.285 0.725 0.609) 3.419 1.237 ( 0.856 -0.975 -1.723) 2.157 1.334 ( 1.425 5.430 -2.008) 5.962 1.948 ( 1.433 2.225 1.621) 3.103 2.156 ( 8.822 5.145 0.674) 10.235 2.984 ( 1.192 13.351 -1.425) 13.480 3.797 ( -3.607 -0.288 -3.086) 4.756 3.876 ( -0.116 0.660 -0.400) 0.780 4.199 ( -2.200 -0.158 -2.225) 3.133 4.299 ( 8.898 -3.477 -0.879) 9.594 4.521 ( 1.462 0.603 4.221) 4.507 4.958 ( -7.885 -2.480 -2.858) 8.746======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 0.070 -1.544 0.133) 1.551 1.275 ( 1.886 2.438 0.366) 3.104 1.425 ( 2.879 3.317 1.148) 4.540 1.970 ( 0.232 -1.220 1.694) 2.101 2.411 ( 10.966 9.271 0.300) 14.363 3.094 ( -0.322 6.926 -1.031) 7.009 3.705 ( -4.043 0.277 -4.691) 6.199 3.887 ( 0.652 -0.091 -0.282) 0.716 4.153 ( -2.252 -0.339 0.069) 2.278 4.430 ( 7.661 -0.319 -0.593) 7.691 4.566 ( 1.495 0.468 2.105) 2.624 4.797 ( -6.632 -1.593 -1.077) 6.905======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.462 -0.742 0.034) 0.875 1.326 ( 0.370 2.984 0.749) 3.098 1.465 ( -0.190 -1.708 0.986) 1.981 1.952 ( -0.936 -1.296 0.652) 1.726 2.700 ( 7.729 12.363 0.420) 14.586 3.101 ( -1.742 -0.988 -0.276) 2.022 3.670 ( -0.021 3.302 -1.812) 3.766 3.888 ( 1.094 -2.318 -1.489) 2.964 4.117 ( -1.233 -0.896 1.450) 2.104 4.522 ( -0.037 3.767 1.398) 4.018 4.584 ( 0.179 -1.204 -1.243) 1.740 4.715 ( 0.347 -1.717 -0.250) 1.769======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -0.019 -0.127 0.028) 0.132 1.346 ( -2.526 2.264 1.728) 3.807 1.407 ( -1.432 -3.750 -0.285) 4.025 1.924 ( -1.280 -0.542 0.573) 1.504 2.838 ( -8.347 10.026 -0.062) 13.046 3.075 ( 5.138 -5.433 0.538) 7.497 3.765 ( 4.547 6.665 1.117) 8.145 3.870 ( 1.830 -4.085 -4.172) 6.119 4.099 ( 0.041 -2.020 1.673) 2.623 4.532 ( -3.752 2.638 1.085) 4.713 4.542 ( -1.527 -0.420 0.487) 1.657 4.743 ( 3.082 -1.152 -1.367) 3.563======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 1.030 -0.000 -0.016) 1.030 1.266 ( -4.890 -2.371 1.587) 5.662 1.398 ( -0.132 1.296 1.530) 2.010 1.904 ( -0.657 -0.160 1.169) 1.351 2.672 ( -13.989 0.811 0.642) 14.027 3.119 ( 1.792 -1.567 -0.395) 2.413 3.819 ( 1.153 -5.599 -3.592) 6.752 3.959 ( 5.454 8.745 -2.200) 10.539 4.079 ( 0.304 -3.592 0.736) 3.679 4.450 ( -1.670 -6.587 0.255) 6.800 4.558 ( -2.432 6.725 3.268) 7.863 4.773 ( 2.056 -0.183 -1.856) 2.775======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( 0.000 0.420 -1.730) 1.781 1.178 ( 0.000 -3.880 -8.617) 9.450 1.327 ( 0.000 3.017 -1.743) 3.484 1.904 ( 0.000 8.470 -0.750) 8.503 1.988 ( -0.000 -2.029 3.711) 4.230 2.967 ( 0.000 15.963 -1.735) 16.057 3.828 ( -0.000 0.410 0.135) 0.432 3.926 ( 0.000 2.476 -0.155) 2.481 4.109 ( 0.000 -5.050 -2.544) 5.655 4.238 ( 0.000 0.791 -4.109) 4.184 4.492 ( -0.000 -0.419 6.172) 6.186 5.118 ( 0.000 -3.823 -3.846) 5.423======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 2.308 0.629 0.110) 2.395 1.156 ( 3.739 -2.965 -4.792) 6.763 1.353 ( 0.655 2.747 -0.956) 2.982 1.958 ( -0.197 0.155 2.474) 2.487 2.056 ( 6.748 3.990 0.395) 7.849 3.101 ( 0.002 11.422 -2.177) 11.628 3.833 ( -0.877 0.720 -2.233) 2.505 3.913 ( -2.461 1.377 -0.303) 2.836 4.109 ( 6.165 -2.569 -6.115) 9.055 4.234 ( -1.158 0.853 -0.474) 1.515 4.527 ( 0.778 1.608 6.459) 6.702 5.027 ( -4.186 -4.040 -2.463) 6.317======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 1.584 -1.293 0.072) 2.046 1.219 ( 5.312 0.393 -1.707) 5.593 1.408 ( 2.413 1.814 1.568) 3.401 1.954 ( 0.333 -1.924 1.779) 2.641 2.268 ( 11.805 4.964 0.144) 12.807 3.180 ( -0.974 6.686 -1.856) 7.006 3.768 ( -4.350 1.158 -6.942) 8.274 3.911 ( -1.087 1.656 2.688) 3.339 4.185 ( 0.294 0.724 -3.053) 3.151 4.244 ( 7.630 -1.816 -0.608) 7.867 4.572 ( 0.162 1.445 4.285) 4.525 4.896 ( -5.788 -2.416 -0.878) 6.333======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.398 -0.734 -0.048) 0.837 1.304 ( 3.931 0.854 -1.655) 4.350 1.449 ( 0.605 -1.629 1.895) 2.572 1.943 ( 0.223 -1.679 0.032) 1.694 2.559 ( 15.011 4.133 0.779) 15.589 3.179 ( -4.058 2.290 -1.524) 4.902 3.711 ( -1.778 3.591 -4.352) 5.916 3.898 ( -2.566 0.047 2.846) 3.833 4.150 ( -2.635 0.015 0.104) 2.637 4.408 ( 10.661 -0.498 -2.270) 10.912 4.580 ( -0.925 -0.543 1.527) 1.866 4.785 ( -5.226 0.103 0.654) 5.268======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -0.111 -0.074 -0.017) 0.134 1.361 ( 2.490 -0.579 -1.411) 2.920 1.404 ( -2.449 -2.763 0.294) 3.704 1.929 ( -0.186 -1.096 -0.513) 1.224 2.838 ( 13.390 -1.747 -0.025) 13.504 3.079 ( -8.141 1.352 -0.377) 8.261 3.772 ( 3.029 7.521 -0.047) 8.108 3.842 ( -3.142 -2.110 1.512) 4.076 4.105 ( -1.929 -0.933 0.254) 2.158 4.533 ( -1.969 -2.913 -0.679) 3.581 4.560 ( 5.980 0.381 -1.874) 6.278 4.728 ( -2.263 1.643 1.824) 3.339======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 0.057 0.098 -0.000) 0.113 1.301 ( -2.581 -4.470 -0.000) 5.162 1.412 ( 1.107 1.917 -0.000) 2.214 1.912 ( -0.493 -0.855 -0.000) 0.987 2.843 ( -5.615 -9.725 -0.000) 11.230 3.058 ( 2.391 4.141 -0.000) 4.782 3.760 ( -2.404 -4.163 -0.000) 4.807 3.950 ( 5.717 9.903 0.000) 11.435 4.062 ( -1.267 -2.194 -0.000) 2.533 4.431 ( -3.553 -6.154 0.000) 7.106 4.629 ( 1.202 2.082 -0.000) 2.404 4.747 ( 1.149 1.990 0.000) 2.298======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 0.000 -2.055 -2.281) 3.070 1.074 ( -0.000 0.782 0.186) 0.804 1.365 ( -0.000 1.383 0.323) 1.421 1.954 ( -0.000 -3.227 3.164) 4.519 2.041 ( 0.000 5.117 -0.214) 5.121 3.190 ( 0.000 7.472 -2.722) 7.952 3.838 ( -0.000 0.488 0.091) 0.496 3.964 ( 0.000 1.299 -0.519) 1.399 4.003 ( 0.000 0.342 -11.520) 11.525 4.252 ( 0.000 0.452 -0.017) 0.453 4.571 ( -0.000 3.309 8.105) 8.754 5.007 ( 0.000 -4.986 -1.984) 5.366======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 1.789 -0.542 -0.247) 1.885 1.130 ( 4.446 1.228 0.817) 4.684 1.392 ( 1.371 0.783 2.429) 2.897 1.931 ( 0.176 -2.633 1.504) 3.038 2.142 ( 6.702 2.954 0.514) 7.342 3.237 ( -0.251 3.832 -2.589) 4.631 3.825 ( -2.581 1.089 -5.319) 6.011 3.946 ( -0.313 1.494 0.796) 1.721 4.055 ( 6.344 0.913 -7.619) 9.957 4.242 ( -1.423 -0.018 0.669) 1.573 4.619 ( -1.062 2.089 7.278) 7.646 4.934 ( -2.488 -3.085 -1.314) 4.175======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 1.507 0.098 -0.009) 1.510 1.224 ( 4.489 0.684 -1.043) 4.659 1.427 ( 0.959 -1.151 2.864) 3.232 1.917 ( 0.509 -1.795 -0.373) 1.903 2.337 ( 12.452 0.795 1.504) 12.567 3.237 ( -1.597 0.429 -2.362) 2.883 3.771 ( -2.502 3.288 -5.858) 7.169 3.951 ( -1.487 0.090 2.520) 2.927 4.196 ( 5.859 2.316 -3.400) 7.159 4.213 ( 2.081 -0.940 -0.041) 2.283 4.612 ( -2.243 -1.105 4.780) 5.395 4.862 ( -3.781 0.177 -0.475) 3.815======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 0.358 0.750 0.056) 0.833 1.284 ( 3.281 -1.900 -2.452) 4.516 1.409 ( -0.978 -2.144 0.335) 2.380 1.910 ( 0.565 -1.111 -1.250) 1.765 2.562 ( 13.328 -4.492 0.813) 14.088 3.178 ( -3.310 -1.186 -1.466) 3.809 3.803 ( 1.783 7.048 -1.776) 7.484 3.909 ( -3.599 -1.275 4.084) 5.591 4.152 ( -3.780 -0.185 0.535) 3.823 4.397 ( 10.564 1.390 -3.671) 11.269 4.556 ( -3.042 -2.823 1.682) 4.478 4.800 ( -3.744 1.069 0.950) 4.008======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( -0.000 3.361 2.572) 4.232 1.098 ( -0.000 0.858 1.775) 1.971 1.396 ( -0.000 0.536 3.976) 4.012 1.908 ( -0.000 -2.147 0.581) 2.224 2.101 ( -0.000 0.541 0.636) 0.835 3.255 ( 0.000 1.016 -2.715) 2.899 3.845 ( -0.000 -0.006 0.098) 0.098 3.970 ( 0.000 -0.103 -0.988) 0.994 3.972 ( 0.000 3.710 -13.258) 13.768 4.254 ( -0.000 -0.315 0.848) 0.904 4.663 ( -0.000 -1.801 8.512) 8.701 4.937 ( 0.000 1.247 -1.356) 1.842======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( -0.039 1.709 1.722) 2.426 1.177 ( 2.682 2.855 0.989) 4.039 1.419 ( 0.249 -0.352 4.427) 4.448 1.894 ( 0.176 -1.030 -0.426) 1.128 2.162 ( 7.214 -1.832 1.364) 7.567 3.237 ( -0.546 -2.296 -2.639) 3.540 3.820 ( -1.890 1.462 -3.859) 4.539 3.963 ( -0.099 -0.656 0.064) 0.667 4.042 ( 7.219 2.946 -8.075) 11.224 4.245 ( -1.024 -0.167 1.066) 1.488 4.636 ( -1.281 -5.157 7.257) 8.994 4.945 ( -3.068 5.053 -0.763) 5.961======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 0.788 1.451 1.029) 1.945 1.225 ( 0.895 0.079 -1.594) 1.830 1.408 ( -1.084 -1.623 1.374) 2.387 1.889 ( 0.288 -0.356 -0.972) 1.075 2.300 ( 10.919 -5.465 1.353) 12.285 3.175 ( -0.889 -5.047 -2.010) 5.505 3.833 ( 1.297 4.931 -1.658) 5.362 3.938 ( -1.014 -2.184 0.533) 2.466 4.197 ( 3.679 0.509 -2.986) 4.766 4.235 ( 4.101 2.000 -0.438) 4.584 4.576 ( -1.939 -4.664 4.880) 7.023 4.913 ( -5.893 4.715 -0.337) 7.554======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( -0.000 0.398 2.062) 2.100 1.205 ( -0.000 5.555 0.905) 5.629 1.434 ( -0.000 -0.052 5.294) 5.294 1.892 ( -0.000 0.845 0.357) 0.918 2.064 ( -0.000 -4.780 0.773) 4.843 3.192 ( 0.000 -6.128 -2.718) 6.704 3.835 ( 0.000 -0.817 -0.442) 0.929 3.954 ( 0.000 -0.892 -0.540) 1.043 3.979 ( 0.000 4.819 -11.364) 12.344 4.252 ( -0.000 -0.498 0.834) 0.972 4.608 ( -0.000 -6.014 7.390) 9.528 5.042 ( 0.000 7.488 -0.417) 7.499======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 0.241 -0.044 1.450) 1.470 1.245 ( -1.061 2.987 -1.182) 3.383 1.426 ( -1.698 -1.151 2.025) 2.882 1.896 ( -1.039 0.987 0.794) 1.638 2.082 ( 7.382 -6.393 1.064) 9.823 3.098 ( 0.132 -10.102 -2.315) 10.364 3.840 ( 1.702 1.321 0.081) 2.156 3.922 ( -1.024 -1.947 -2.549) 3.367 4.076 ( 7.030 4.720 -5.970) 10.360 4.243 ( -0.560 -0.783 0.793) 1.247 4.570 ( -0.926 -4.015 6.310) 7.536 5.074 ( -4.695 7.093 -0.607) 8.527======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -0.000 -0.941 0.812) 1.243 1.278 ( 0.000 1.373 -2.097) 2.506 1.435 ( 0.000 -1.638 -0.636) 1.757 1.918 ( 0.000 -9.595 -0.252) 9.598 1.959 ( -0.000 3.992 3.731) 5.464 2.955 ( 0.000 -15.536 -2.257) 15.699 3.814 ( 0.000 -0.800 -0.458) 0.922 3.929 ( 0.000 -1.412 0.006) 1.412 4.040 ( 0.000 6.510 -5.321) 8.408 4.239 ( 0.000 -0.860 -0.619) 1.059 4.572 ( -0.000 -1.275 5.963) 6.098 5.189 ( 0.000 7.126 -1.196) 7.226======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( -0.000 0.000 17.523) 17.523 0.540 ( -0.000 0.000 17.523) 17.523 0.887 ( -0.000 0.000 30.645) 30.645 1.293 ( 0.000 -0.000 -3.045) 3.045 1.293 ( 0.000 -0.000 -3.045) 3.045 2.720 ( 0.000 -0.000 -13.172) 13.172 3.737 ( -0.000 0.000 1.392) 1.392 3.737 ( -0.000 0.000 1.392) 1.392 3.919 ( 0.000 -0.000 -1.575) 1.575 3.919 ( 0.000 -0.000 -1.575) 1.575 4.936 ( -0.000 0.000 2.150) 2.150 5.793 ( 0.000 -0.000 -0.424) 0.424======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( -0.628 -0.363 16.575) 16.591 0.591 ( -3.195 -1.845 20.656) 20.983 1.190 ( 10.442 6.029 13.809) 18.333 1.314 ( 2.005 1.157 -2.444) 3.366 1.377 ( 10.066 5.811 0.346) 11.628 2.355 ( -15.654 -9.038 -0.955) 18.101 3.744 ( 0.287 0.166 1.461) 1.498 3.919 ( -0.067 -0.039 -1.656) 1.658 3.942 ( 2.873 1.659 -0.538) 3.360 4.134 ( 19.988 11.540 -14.751) 27.391 4.951 ( 0.593 0.343 1.890) 2.011 5.635 ( -11.935 -6.891 1.485) 13.861======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( -0.068 -0.039 14.359) 14.359 0.610 ( 6.462 3.731 10.215) 12.650 1.315 ( 1.731 0.999 -1.888) 2.749 1.375 ( 3.827 2.210 -1.377) 4.629 1.731 ( 14.734 8.507 2.590) 17.210 2.133 ( -2.741 -1.582 1.194) 3.382 3.758 ( 0.503 0.291 1.135) 1.275 3.909 ( -0.240 -0.138 -1.527) 1.552 4.040 ( 4.970 2.869 1.369) 5.899 4.419 ( 8.879 5.126 -12.350) 16.051 4.958 ( -1.524 -0.880 3.511) 3.928 5.308 ( -14.732 -8.506 -1.742) 17.100======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( 3.531 2.038 3.743) 5.535 0.808 ( 7.630 4.405 3.950) 9.655 1.309 ( -1.080 -0.623 -2.737) 3.008 1.492 ( 6.533 3.772 -0.040) 7.544 1.962 ( 5.924 3.420 -3.658) 7.757 2.272 ( 12.139 7.008 3.566) 14.463 3.776 ( 0.755 0.436 0.817) 1.195 3.901 ( 0.034 0.020 -1.273) 1.274 4.151 ( 3.305 1.908 1.215) 4.005 4.531 ( 4.194 2.422 -6.213) 7.878 4.786 ( -15.992 -9.233 6.970) 19.737 5.066 ( -2.624 -1.515 -7.500) 8.089======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 8.212 4.741 -1.066) 9.542 0.968 ( 5.332 3.078 0.006) 6.156 1.269 ( -1.483 -0.856 -1.114) 2.043 1.677 ( 8.828 5.097 0.533) 10.208 2.066 ( 3.832 2.213 -1.844) 4.794 2.593 ( 13.547 7.821 0.893) 15.668 3.798 ( 0.951 0.549 0.671) 1.287 3.905 ( 0.534 0.308 -0.828) 1.032 4.145 ( -6.425 -3.710 0.810) 7.463 4.427 ( -11.345 -6.550 1.431) 13.178 4.606 ( 3.435 1.983 -3.126) 5.050 5.027 ( -0.548 -0.317 -2.557) 2.634======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 7.544 4.356 -2.634) 9.101 1.062 ( 3.168 1.829 -1.646) 4.011 1.259 ( 1.867 1.078 0.577) 2.232 1.886 ( 8.380 4.838 -0.046) 9.677 2.109 ( -0.207 -0.120 -1.599) 1.617 2.889 ( 10.983 6.341 1.367) 12.755 3.822 ( 0.854 0.493 0.461) 1.089 3.875 ( -12.722 -7.345 3.585) 15.121 3.920 ( 0.856 0.494 -0.034) 0.989 4.311 ( -1.439 -0.831 -2.096) 2.675 4.675 ( 3.323 1.918 -2.643) 4.659 5.005 ( -1.322 -0.763 0.317) 1.559======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 1.649 0.952 -3.012) 3.564 1.113 ( 1.801 1.040 -2.147) 2.989 1.386 ( 7.283 4.205 -1.781) 8.596 2.037 ( -5.065 -2.924 -1.780) 6.114 2.049 ( 5.294 3.057 -0.763) 6.161 3.100 ( 6.186 3.571 2.738) 7.650 3.688 ( -4.002 -2.310 8.053) 9.284 3.839 ( 0.399 0.231 0.393) 0.606 3.940 ( 0.677 0.391 0.599) 0.985 4.287 ( -0.425 -0.245 -1.686) 1.756 4.753 ( 4.200 2.425 -3.611) 6.046 4.954 ( -3.327 -1.921 0.942) 3.955======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 2.438 1.407 -1.719) 3.298 1.137 ( 0.868 0.501 -2.132) 2.356 1.502 ( 2.747 1.586 -6.699) 7.412 1.917 ( -3.406 -1.967 -0.179) 3.937 2.118 ( 0.650 0.375 -0.988) 1.240 3.193 ( 1.076 0.621 3.393) 3.613 3.722 ( 3.167 1.829 12.108) 12.648 3.841 ( -0.303 -0.175 0.591) 0.687 3.952 ( 0.147 0.085 0.651) 0.673 4.276 ( -0.162 -0.094 -1.380) 1.393 4.803 ( -2.393 -1.382 -5.765) 6.393 4.904 ( 2.563 1.479 1.894) 3.513======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 0.106 0.061 -1.722) 1.726 1.206 ( 3.731 2.154 0.419) 4.328 1.481 ( -1.804 -1.042 -4.227) 4.712 1.903 ( 1.812 1.046 -2.069) 2.943 2.071 ( -4.378 -2.528 -0.611) 5.092 3.162 ( -5.118 -2.955 3.471) 6.854 3.830 ( -0.762 -0.440 0.673) 1.108 3.870 ( 5.765 3.328 11.561) 13.340 3.949 ( -0.560 -0.323 0.368) 0.744 4.264 ( -0.627 -0.362 -1.534) 1.696 4.671 ( -5.170 -2.985 -5.915) 8.403 5.034 ( 6.437 3.716 1.169) 7.524======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( -0.000 0.221 15.120) 15.122 0.824 ( -0.000 8.901 12.881) 15.657 1.207 ( -0.000 8.867 19.775) 21.672 1.274 ( 0.000 1.365 -4.344) 4.554 1.378 ( -0.000 9.479 0.469) 9.490 2.355 ( 0.000 -16.481 -4.112) 16.986 3.751 ( -0.000 0.473 1.133) 1.228 3.893 ( 0.000 -1.007 -1.398) 1.723 3.934 ( 0.000 3.633 -1.949) 4.123 4.089 ( 0.000 19.233 -10.066) 21.707 4.953 ( -0.000 0.026 1.926) 1.926 5.658 ( -0.000 -10.979 0.346) 10.985======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 2.120 8.075 7.696) 11.355 0.850 ( -8.290 9.039 14.126) 18.707 1.273 ( 1.377 1.466 -1.544) 2.536 1.372 ( 2.236 5.100 -0.960) 5.651 1.621 ( 10.498 12.823 7.071) 18.018 2.156 ( -3.746 -7.199 -2.176) 8.402 3.766 ( 0.243 1.018 1.410) 1.756 3.880 ( 0.863 -1.568 -1.827) 2.558 4.007 ( 3.491 3.793 0.509) 5.180 4.295 ( 7.217 9.744 -10.751) 16.206 4.956 ( 0.268 -1.844 2.338) 2.990 5.443 ( -10.297 -10.868 -1.158) 15.016======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 0.221 8.380 1.548) 8.525 0.870 ( -3.651 9.962 10.101) 14.649 1.294 ( 0.527 -0.424 -2.311) 2.408 1.464 ( 3.062 6.605 -0.992) 7.348 1.894 ( 5.998 6.971 -2.327) 9.486 2.169 ( 7.985 4.850 2.957) 9.799 3.783 ( -0.151 1.419 1.378) 1.984 3.880 ( 1.325 -1.216 -1.948) 2.651 4.118 ( 3.807 3.285 1.623) 5.284 4.442 ( 5.715 3.087 -7.186) 9.686 4.905 ( -4.494 -8.716 6.468) 11.748 5.132 ( -11.060 -4.615 -6.992) 13.875======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( 0.857 9.418 1.380) 9.557 0.971 ( 1.093 8.232 2.233) 8.599 1.273 ( -0.829 -1.442 -1.005) 1.943 1.620 ( 5.828 8.374 0.418) 10.211 2.016 ( 4.132 3.658 -1.822) 5.811 2.455 ( 12.516 9.714 0.831) 15.865 3.798 ( -0.057 0.719 1.437) 1.607 3.890 ( 1.184 0.034 -1.963) 2.293 4.181 ( -0.111 0.384 0.354) 0.534 4.537 ( 4.632 1.246 -3.761) 6.095 4.607 ( -15.163 -9.856 3.100) 18.348 5.010 ( -0.655 -1.643 -3.679) 4.082======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 3.550 8.351 3.127) 9.598 1.071 ( 1.419 7.013 -1.986) 7.426 1.247 ( 0.301 -0.658 0.277) 0.775 1.822 ( 6.661 8.414 0.334) 10.737 2.098 ( 1.796 2.010 -1.212) 2.955 2.769 ( 11.592 8.891 0.571) 14.621 3.791 ( -0.799 -2.993 1.674) 3.521 3.911 ( 1.124 1.153 -1.679) 2.327 4.083 ( -10.241 -1.509 2.202) 10.583 4.342 ( -5.666 -1.775 -2.487) 6.437 4.617 ( 3.783 0.652 -1.940) 4.301 4.987 ( 0.959 -3.152 0.088) 3.296======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( 0.864 2.703 0.524) 2.886 1.131 ( -0.291 3.723 -2.161) 4.314 1.325 ( 5.195 5.273 0.360) 7.411 1.993 ( 3.779 3.491 -0.395) 5.160 2.106 ( -2.004 3.487 -2.044) 4.511 3.027 ( 8.246 5.828 2.271) 10.349 3.705 ( -2.489 -6.366 4.324) 8.088 3.939 ( 0.475 2.471 -1.430) 2.894 3.956 ( -6.372 5.360 3.609) 9.075 4.281 ( -0.683 -0.878 -2.331) 2.583 4.678 ( 4.006 0.302 -3.483) 5.317 4.964 ( -0.350 -3.767 1.324) 4.009======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 0.958 0.825 -1.561) 2.009 1.153 ( -0.152 2.856 -1.222) 3.111 1.451 ( 3.160 3.135 -3.549) 5.693 1.956 ( -3.717 -3.110 -0.794) 4.911 2.162 ( -0.813 8.209 -1.612) 8.405 3.178 ( 3.333 1.998 3.301) 5.099 3.684 ( 2.912 -2.114 8.197) 8.953 3.940 ( -3.944 5.339 4.492) 8.015 3.966 ( -0.453 3.537 -1.177) 3.755 4.264 ( 0.394 -1.060 -1.537) 1.909 4.744 ( 4.427 -0.862 -5.278) 6.943 4.905 ( -1.847 -3.120 1.478) 3.916======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 1.912 0.491 -2.044) 2.842 1.182 ( 1.035 2.598 -0.205) 2.804 1.464 ( -0.297 -1.277 -5.059) 5.226 1.891 ( -0.867 -0.622 0.073) 1.069 2.175 ( -5.439 5.677 -1.533) 8.010 3.208 ( -1.561 -1.444 3.353) 3.971 3.774 ( 4.650 -0.127 5.852) 7.475 3.939 ( -2.191 1.679 5.443) 6.103 3.995 ( -1.807 7.047 1.197) 7.373 4.257 ( 0.323 -0.886 -1.442) 1.723 4.700 ( -3.799 -4.266 -6.219) 8.445 4.936 ( 6.366 0.071 1.114) 6.463======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -0.000 13.214 2.727) 13.493 1.019 ( -0.000 3.881 4.758) 6.140 1.325 ( 0.000 6.737 -2.488) 7.182 1.375 ( -0.000 3.315 1.554) 3.661 1.706 ( -0.000 16.299 8.914) 18.578 2.098 ( 0.000 -6.381 -3.923) 7.490 3.771 ( -0.000 0.972 0.838) 1.284 3.866 ( 0.000 -0.837 -0.950) 1.266 4.004 ( -0.000 3.798 0.297) 3.810 4.311 ( 0.000 8.694 -6.580) 10.903 4.930 ( -0.000 -4.841 2.980) 5.684 5.415 ( 0.000 -10.474 -4.052) 11.230======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( -1.239 12.340 -2.775) 12.709 1.039 ( -1.899 3.835 3.092) 5.279 1.320 ( -3.392 2.896 0.147) 4.463 1.478 ( 3.608 6.849 -1.577) 7.900 1.905 ( 1.911 9.792 -0.600) 9.995 2.106 ( 5.410 5.676 2.571) 8.252 3.801 ( 1.208 1.652 0.899) 2.235 3.844 ( -0.457 -0.963 -1.079) 1.517 4.088 ( 3.979 3.336 1.606) 5.435 4.385 ( 2.420 3.982 -4.032) 6.162 4.863 ( -0.810 -10.431 4.351) 11.331 5.236 ( -7.737 -5.526 -7.245) 11.954======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( -0.607 10.290 -5.001) 11.457 1.074 ( -1.033 6.155 2.242) 6.631 1.284 ( -2.219 -0.372 0.602) 2.329 1.629 ( 4.335 9.644 -0.048) 10.574 1.996 ( 2.594 4.751 -0.998) 5.505 2.369 ( 9.825 12.941 0.984) 16.278 3.819 ( -0.870 0.484 1.089) 1.476 3.852 ( 2.048 0.285 -1.770) 2.722 4.179 ( 1.801 1.799 0.800) 2.669 4.457 ( 4.315 0.861 -1.003) 4.513 4.695 ( -5.999 -12.971 3.103) 14.624 5.043 ( -6.814 -1.043 -6.677) 9.597======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 2.423 10.685 1.504) 11.059 1.131 ( -0.199 6.818 -0.924) 6.883 1.241 ( -1.275 -1.523 0.735) 2.117 1.815 ( 5.122 9.562 0.293) 10.852 2.091 ( 2.540 4.422 0.455) 5.120 2.676 ( 10.269 11.769 -0.609) 15.632 3.797 ( -1.914 -2.227 1.658) 3.372 3.884 ( 1.976 0.760 -3.016) 3.684 4.174 ( -2.617 -0.863 0.076) 2.756 4.464 ( -8.920 -3.941 -0.278) 9.756 4.546 ( 4.616 0.367 0.133) 4.632 4.937 ( -1.210 -3.683 -2.160) 4.438======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -2.444 4.868 4.029) 6.775 1.171 ( -0.853 2.337 -0.951) 2.663 1.298 ( 5.166 6.935 -0.071) 8.648 1.971 ( 3.190 3.980 -0.075) 5.101 2.175 ( 0.491 8.102 -0.354) 8.125 2.948 ( 8.838 7.898 0.714) 11.875 3.709 ( -3.424 -4.956 1.995) 6.345 3.922 ( 2.310 1.030 -2.981) 3.909 4.117 ( -3.624 1.884 2.322) 4.698 4.327 ( -6.040 2.156 -1.474) 6.581 4.611 ( 2.875 -0.042 -1.726) 3.354 4.900 ( 2.017 -5.459 0.590) 5.850======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -2.153 1.200 0.617) 2.541 1.194 ( -0.914 3.790 0.858) 3.992 1.435 ( 2.474 4.450 -1.092) 5.207 1.977 ( -2.107 -2.245 -0.411) 3.107 2.285 ( -0.909 13.022 -1.604) 13.152 3.136 ( 5.353 2.936 2.538) 6.612 3.651 ( 0.713 -2.004 4.809) 5.259 3.959 ( 1.438 0.615 -1.977) 2.521 4.113 ( -2.368 5.732 3.415) 7.080 4.259 ( -3.443 1.294 -1.391) 3.932 4.647 ( 3.086 -1.139 -3.419) 4.744 4.880 ( 0.967 -4.813 0.780) 4.971======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -0.180 1.303 -0.396) 1.374 1.214 ( -1.134 3.221 0.954) 3.545 1.454 ( -1.118 -0.675 -2.866) 3.150 1.913 ( -2.168 -1.071 0.516) 2.473 2.354 ( -5.429 11.232 -1.992) 12.633 3.211 ( 1.143 -0.919 3.047) 3.382 3.717 ( 4.547 1.198 5.503) 7.239 3.966 ( -0.156 -0.552 -0.652) 0.868 4.159 ( -3.193 9.833 3.610) 10.950 4.222 ( 0.171 -1.807 -1.294) 2.229 4.658 ( 1.266 -3.755 -4.851) 6.263 4.856 ( 1.688 -2.642 0.747) 3.222======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 0.000 12.165 -4.972) 13.142 1.058 ( 0.000 0.514 -2.065) 2.128 1.386 ( 0.000 -1.549 -3.528) 3.853 1.501 ( 0.000 10.263 -0.299) 10.267 1.956 ( 0.000 3.376 -3.332) 4.743 2.182 ( -0.000 16.618 5.908) 17.637 3.803 ( -0.000 1.443 1.421) 2.025 3.849 ( 0.000 0.008 -1.281) 1.281 4.085 ( -0.000 3.155 2.563) 4.064 4.394 ( 0.000 2.050 -1.171) 2.361 4.759 ( -0.000 -13.457 3.083) 13.806 5.234 ( 0.000 -3.231 -8.294) 8.902======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -2.162 6.266 -6.962) 9.613 1.112 ( 2.083 5.103 -3.006) 6.278 1.325 ( -2.337 -1.745 -1.905) 3.483 1.649 ( 4.140 9.887 -0.688) 10.741 1.995 ( 1.960 3.031 -0.604) 3.660 2.415 ( 3.592 18.370 2.281) 18.856 3.821 ( 0.126 -0.078 0.361) 0.390 3.849 ( -0.044 1.843 -0.313) 1.870 4.158 ( 3.020 2.351 2.103) 4.367 4.402 ( 1.380 -2.582 0.558) 2.980 4.622 ( -1.012 -11.862 1.436) 11.992 5.133 ( -5.683 -1.101 -7.304) 9.320======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( 3.634 6.623 -2.038) 7.825 1.183 ( 1.034 6.067 -3.418) 7.040 1.267 ( -2.178 -1.531 0.016) 2.663 1.825 ( 4.573 8.972 -0.239) 10.073 2.082 ( 3.987 3.611 1.222) 5.516 2.673 ( 5.299 15.961 -0.525) 16.825 3.813 ( -1.278 -0.982 0.635) 1.733 3.860 ( 0.124 0.627 -1.632) 1.753 4.197 ( -0.882 -0.038 -1.017) 1.347 4.413 ( 5.480 -7.206 1.609) 9.195 4.533 ( -0.962 -1.462 1.533) 2.326 4.984 ( -7.228 -1.342 -4.645) 8.696======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 1.318 -0.059 0.900) 1.597 1.226 ( -1.423 2.256 1.917) 3.285 1.290 ( 4.326 9.091 -2.038) 10.272 1.960 ( 2.540 3.732 0.432) 4.535 2.223 ( 4.932 8.327 0.888) 9.719 2.907 ( 5.682 10.830 -0.739) 12.253 3.734 ( -4.039 -3.761 -0.582) 5.549 3.878 ( 1.759 0.536 -2.061) 2.762 4.160 ( -1.618 -0.487 -0.138) 1.696 4.432 ( 0.234 -0.105 0.432) 0.502 4.560 ( 2.471 0.713 0.982) 2.753 4.846 ( -3.688 -3.682 -1.631) 5.461======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -1.509 -0.947 0.078) 1.784 1.260 ( -0.587 3.908 1.856) 4.366 1.437 ( 2.743 4.901 0.006) 5.617 1.984 ( -0.793 -1.211 0.258) 1.471 2.416 ( 2.926 14.242 -0.213) 14.541 3.076 ( 4.920 3.784 0.695) 6.245 3.648 ( -1.384 -1.590 0.953) 2.314 3.910 ( 2.383 -0.451 -2.626) 3.575 4.140 ( -0.246 -0.645 1.435) 1.593 4.419 ( -5.449 6.137 0.811) 8.247 4.596 ( 1.272 -0.362 -1.338) 1.881 4.788 ( 2.358 -5.252 -0.061) 5.757======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -0.851 0.038 0.089) 0.857 1.286 ( -1.654 3.865 2.032) 4.670 1.464 ( -1.357 -0.883 -1.217) 2.025 1.941 ( -1.971 -1.113 0.468) 2.311 2.568 ( -3.571 14.908 -1.146) 15.372 3.162 ( 3.575 -2.014 2.003) 4.566 3.676 ( 3.363 2.006 3.056) 4.967 3.927 ( 1.988 -2.170 -3.394) 4.493 4.146 ( 1.667 -1.923 1.089) 2.768 4.387 ( -6.522 8.661 2.213) 11.066 4.596 ( 0.642 -2.151 -1.948) 2.972 4.791 ( 2.658 -3.769 -0.615) 4.653======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 0.000 0.550 -2.915) 2.966 1.123 ( 0.000 6.544 -11.190) 12.963 1.308 ( 0.000 -2.389 -2.819) 3.695 1.709 ( 0.000 10.210 -0.765) 10.239 2.001 ( -0.000 1.822 1.307) 2.242 2.591 ( -0.000 19.588 0.969) 19.612 3.825 ( -0.000 -0.054 0.584) 0.586 3.870 ( 0.000 2.669 -0.434) 2.704 4.162 ( -0.000 2.249 4.050) 4.633 4.326 ( 0.000 -10.049 -2.533) 10.364 4.546 ( -0.000 -4.825 2.304) 5.347 5.151 ( 0.000 -1.221 -6.518) 6.631======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 1.777 2.511 -2.115) 3.733 1.170 ( 3.498 1.801 -8.222) 9.114 1.284 ( -0.961 1.078 -1.466) 2.058 1.841 ( 3.420 9.046 -0.720) 9.698 2.043 ( 2.858 0.750 2.399) 3.806 2.793 ( 1.220 17.457 -0.930) 17.524 3.825 ( -0.378 -0.024 0.118) 0.397 3.883 ( -1.486 1.624 -0.472) 2.252 4.205 ( -0.517 -0.004 -2.975) 3.020 4.227 ( 5.079 -8.974 0.822) 10.345 4.534 ( 0.214 -0.457 4.052) 4.083 5.072 ( -4.987 -1.514 -4.769) 7.065======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 3.587 0.696 1.249) 3.861 1.214 ( 3.149 -0.814 -3.140) 4.521 1.316 ( 1.768 6.800 -1.719) 7.233 1.961 ( 1.687 3.425 1.024) 3.953 2.163 ( 8.396 4.281 0.776) 9.456 2.971 ( 1.403 13.064 -1.479) 13.222 3.766 ( -4.024 -2.671 -3.509) 5.970 3.879 ( -0.491 1.896 1.144) 2.268 4.172 ( -0.098 -0.610 -3.245) 3.303 4.300 ( 8.050 -3.878 0.888) 8.979 4.559 ( 0.504 1.084 3.695) 3.883 4.932 ( -7.344 -1.515 -2.536) 7.916======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -0.055 -1.674 0.052) 1.676 1.273 ( 2.847 1.734 -0.849) 3.440 1.434 ( 3.089 4.315 0.677) 5.350 1.982 ( -0.163 -1.290 0.795) 1.524 2.414 ( 11.081 9.306 0.277) 14.473 3.084 ( 0.143 6.728 -0.979) 6.801 3.668 ( -2.593 -0.935 -3.085) 4.137 3.891 ( -0.622 1.072 1.201) 1.726 4.150 ( -1.238 -0.256 -0.670) 1.430 4.425 ( 8.227 -1.088 -0.546) 8.316 4.583 ( 0.099 0.550 1.526) 1.625 4.790 ( -6.258 -0.900 -0.452) 6.339======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.438 -0.758 -0.000) 0.876 1.329 ( 1.339 2.319 -0.000) 2.678 1.470 ( -0.863 -1.495 -0.000) 1.726 1.955 ( -0.878 -1.521 -0.000) 1.756 2.702 ( 7.308 12.657 -0.000) 14.616 3.100 ( -0.864 -1.497 -0.000) 1.729 3.662 ( 1.603 2.777 0.000) 3.206 3.881 ( -0.736 -1.275 -0.000) 1.473 4.125 ( -0.626 -1.084 -0.000) 1.252 4.529 ( 1.767 3.061 -0.000) 3.535 4.578 ( -0.699 -1.210 0.000) 1.398 4.714 ( -0.619 -1.072 -0.000) 1.238======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 0.000 1.137 -1.066) 1.558 1.100 ( 0.000 -0.839 -7.693) 7.738 1.309 ( 0.000 3.005 -2.086) 3.658 1.897 ( 0.000 8.609 -0.717) 8.639 2.024 ( -0.000 -1.520 3.886) 4.172 2.948 ( 0.000 15.197 -2.265) 15.365 3.829 ( 0.000 0.364 -0.009) 0.364 3.924 ( 0.000 2.398 -0.192) 2.406 4.059 ( 0.000 -9.541 -7.462) 12.112 4.228 ( -0.000 1.885 1.488) 2.402 4.550 ( -0.000 0.977 5.975) 6.055 5.081 ( 0.000 -2.703 -3.938) 4.776======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 2.785 0.647 0.537) 2.909 1.115 ( 4.363 -0.757 -3.344) 5.549 1.343 ( 0.960 4.198 -1.161) 4.461 1.977 ( 0.128 2.109 1.600) 2.651 2.065 ( 5.985 2.059 1.618) 6.533 3.078 ( 0.285 11.158 -2.742) 11.494 3.800 ( -3.534 -1.004 -4.566) 5.860 3.915 ( -0.500 1.603 0.792) 1.857 4.048 ( 7.191 -2.917 -6.293) 9.991 4.240 ( -0.615 0.417 1.516) 1.689 4.587 ( -0.180 2.264 6.079) 6.489 5.003 ( -3.837 -3.148 -2.527) 5.569======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 1.744 -1.559 -0.409) 2.375 1.204 ( 4.981 0.874 -1.378) 5.241 1.423 ( 2.717 3.147 1.517) 4.425 1.969 ( -0.221 -2.552 1.253) 2.852 2.273 ( 11.835 5.306 0.940) 13.004 3.160 ( -0.566 6.532 -2.435) 6.994 3.704 ( -3.594 0.488 -6.449) 7.399 3.937 ( -0.891 1.974 2.602) 3.386 4.149 ( 4.498 0.867 -4.133) 6.169 4.247 ( 4.426 -2.199 1.034) 5.049 4.612 ( -1.319 1.629 4.062) 4.570 4.887 ( -5.232 -1.886 -0.872) 5.630======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.063 ( -0.000 0.203 0.084) 0.220 1.080 ( -0.000 1.377 1.134) 1.784 1.369 ( -0.000 3.273 0.422) 3.300 1.985 ( -0.000 -4.289 3.349) 5.442 2.040 ( -0.000 5.445 0.113) 5.446 3.161 ( 0.000 7.528 -3.361) 8.244 3.839 ( -0.000 0.533 0.149) 0.553 3.888 ( 0.000 -0.989 -12.362) 12.401 3.957 ( 0.000 1.107 -0.897) 1.425 4.258 ( -0.000 0.325 1.052) 1.101 4.645 ( -0.000 3.847 7.484) 8.414 4.988 ( 0.000 -4.420 -2.168) 4.923======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 1.149 0.415 0.575) 1.350 1.141 ( 3.506 1.526 1.371) 4.062 1.419 ( 1.481 2.349 3.178) 4.220 1.945 ( -0.279 -3.804 1.371) 4.053 2.149 ( 7.033 3.253 1.114) 7.829 3.209 ( -0.070 3.965 -3.246) 5.124 3.762 ( -4.262 1.638 -7.911) 9.134 3.955 ( 2.281 1.562 1.108) 2.979 3.989 ( 6.970 -0.077 -6.106) 9.267 4.251 ( -1.257 -0.031 1.218) 1.751 4.687 ( -2.163 2.592 6.799) 7.591 4.920 ( -2.136 -2.962 -1.589) 3.982======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( -0.000 3.504 2.424) 4.261 1.117 ( -0.000 1.038 2.177) 2.412 1.443 ( -0.000 1.791 5.787) 6.058 1.913 ( -0.000 -3.179 0.518) 3.221 2.109 ( -0.000 0.709 0.881) 1.131 3.226 ( 0.000 1.260 -3.388) 3.615 3.844 ( 0.000 3.966 -13.652) 14.216 3.845 ( 0.000 -0.158 -0.174) 0.235 3.960 ( 0.000 0.002 -0.997) 0.997 4.264 ( -0.000 -0.232 1.182) 1.204 4.740 ( -0.000 -2.117 7.582) 7.872 4.922 ( 0.000 1.980 -1.798) 2.674======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -0.000 0.000 15.763) 15.763 0.696 ( -0.000 0.000 15.763) 15.763 1.170 ( -0.000 0.000 29.560) 29.560 1.258 ( 0.000 -0.000 -4.331) 4.331 1.258 ( 0.000 -0.000 -4.331) 4.331 2.579 ( 0.000 -0.000 -16.655) 16.655 3.751 ( -0.000 0.000 1.672) 1.672 3.751 ( -0.000 0.000 1.672) 1.672 3.903 ( 0.000 -0.000 -1.858) 1.858 3.903 ( 0.000 -0.000 -1.858) 1.858 4.956 ( -0.000 0.000 2.103) 2.103 5.789 ( 0.000 -0.000 -0.438) 0.438======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.645 ( -1.719 -0.993 16.221) 16.342 0.775 ( -2.393 -1.382 18.309) 18.516 1.245 ( 2.144 1.238 -1.886) 3.112 1.287 ( 2.547 1.471 -3.362) 4.467 1.445 ( 12.211 7.050 14.149) 19.975 2.313 ( -12.085 -6.977 -7.604) 15.892 3.760 ( 0.179 0.104 1.719) 1.732 3.901 ( -0.021 -0.012 -2.093) 2.094 3.938 ( 3.672 2.120 -0.349) 4.254 4.025 ( 16.451 9.498 -8.864) 20.963 4.968 ( 0.449 0.259 1.693) 1.771 5.645 ( -11.475 -6.625 0.622) 13.265======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 3.610 2.084 12.184) 12.877 0.754 ( -3.705 -2.139 15.693) 16.266 1.282 ( 1.507 0.870 -4.839) 5.143 1.360 ( 4.504 2.600 -1.793) 5.501 1.752 ( 10.433 6.023 2.147) 12.236 2.139 ( -0.206 -0.119 -0.071) 0.248 3.770 ( 0.329 0.190 1.435) 1.484 3.892 ( -0.105 -0.061 -2.056) 2.060 4.054 ( 5.357 3.093 1.339) 6.329 4.312 ( 10.321 5.959 -10.123) 15.637 4.983 ( 0.219 0.126 1.914) 1.931 5.299 ( -17.218 -9.941 -0.176) 19.883======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( -0.073 -0.042 8.131) 8.131 0.856 ( 5.093 2.941 6.076) 8.456 1.284 ( -0.229 -0.132 -2.256) 2.271 1.492 ( 7.070 4.082 0.015) 8.164 1.933 ( 6.118 3.532 -2.418) 7.467 2.296 ( 11.302 6.525 1.467) 13.132 3.786 ( 0.632 0.365 1.306) 1.496 3.886 ( 0.242 0.140 -1.906) 1.927 4.160 ( 2.818 1.627 0.480) 3.289 4.471 ( 5.954 3.437 -6.288) 9.317 4.841 ( -18.904 -10.914 4.164) 22.222 5.015 ( -0.123 -0.071 -2.889) 2.892======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 6.600 3.810 5.172) 9.210 0.975 ( 3.913 2.259 1.478) 4.754 1.264 ( -0.934 -0.539 0.023) 1.078 1.683 ( 8.769 5.063 0.782) 10.156 2.049 ( 4.037 2.331 -1.887) 5.029 2.600 ( 13.526 7.809 0.457) 15.625 3.806 ( 0.757 0.437 1.027) 1.349 3.895 ( 0.944 0.545 -1.221) 1.636 4.157 ( -5.006 -2.890 1.852) 6.069 4.414 ( -12.041 -6.952 -4.048) 14.481 4.585 ( 2.681 1.548 -1.220) 3.328 5.021 ( 0.229 0.132 1.109) 1.140======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 5.464 3.155 1.385) 6.460 1.051 ( 2.568 1.483 -0.837) 3.081 1.270 ( 2.217 1.280 1.642) 3.042 1.887 ( 8.013 4.626 0.287) 9.257 2.089 ( -0.385 -0.222 -2.740) 2.776 2.905 ( 11.585 6.689 2.034) 13.531 3.826 ( 0.697 0.403 0.321) 0.867 3.920 ( -11.599 -6.696 5.999) 14.675 3.921 ( 1.268 0.732 0.102) 1.467 4.285 ( -0.903 -0.521 -3.311) 3.471 4.644 ( 2.921 1.687 -3.956) 5.199 5.018 ( -1.226 -0.708 2.292) 2.694======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( 1.452 0.838 -2.043) 2.643 1.094 ( 1.596 0.922 -1.840) 2.605 1.374 ( 4.953 2.860 -0.822) 5.778 2.015 ( -4.485 -2.589 -2.906) 5.938 2.043 ( 5.020 2.898 -0.462) 5.815 3.129 ( 6.412 3.702 3.365) 8.133 3.778 ( -2.344 -1.353 10.925) 11.255 3.840 ( 0.467 0.270 0.002) 0.539 3.948 ( 0.787 0.455 0.949) 1.314 4.271 ( -0.082 -0.048 -1.613) 1.616 4.708 ( 3.869 2.234 -5.808) 7.328 4.968 ( -3.505 -2.024 1.888) 4.466======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -0.000 -3.880 16.994) 17.431 0.934 ( -0.000 6.666 10.359) 12.319 1.227 ( 0.000 1.691 -5.627) 5.875 1.290 ( 0.000 4.473 -1.351) 4.672 1.474 ( -0.000 10.279 18.899) 21.513 2.286 ( 0.000 -12.786 -10.284) 16.409 3.762 ( -0.000 0.211 1.347) 1.364 3.880 ( 0.000 -0.754 -1.357) 1.553 3.917 ( 0.000 4.986 -1.536) 5.217 4.018 ( 0.000 15.544 -5.529) 16.498 4.971 ( -0.000 -0.016 1.652) 1.652 5.658 ( 0.000 -11.338 -0.158) 11.339======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 1.120 1.291 12.075) 12.195 0.964 ( -5.446 5.329 9.513) 12.188 1.246 ( 1.051 2.780 -3.440) 4.546 1.351 ( 1.670 5.471 -3.300) 6.604 1.695 ( 6.029 9.659 8.216) 14.041 2.125 ( -1.166 -5.332 -4.240) 6.911 3.779 ( 0.392 0.845 1.428) 1.705 3.863 ( 0.518 -1.316 -1.802) 2.291 4.014 ( 4.308 4.248 1.020) 6.135 4.208 ( 6.304 11.126 -7.846) 15.003 4.975 ( 0.458 -0.993 1.698) 2.020 5.433 ( -10.290 -13.073 -0.914) 16.662======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( 0.451 2.427 3.809) 4.539 0.958 ( -4.193 6.971 7.868) 11.317 1.275 ( 0.320 1.135 -1.240) 1.711 1.454 ( 3.990 7.142 -1.058) 8.250 1.877 ( 4.553 6.063 -1.124) 7.665 2.189 ( 8.345 5.270 1.035) 9.924 3.796 ( -0.151 1.413 1.342) 1.955 3.861 ( 1.260 -1.190 -2.062) 2.694 4.132 ( 3.372 3.258 1.105) 4.818 4.381 ( 6.273 5.289 -5.601) 9.934 4.964 ( -1.466 -6.794 5.815) 9.062 5.072 ( -13.742 -7.961 -5.581) 16.833======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.833 ( 3.170 7.122 2.826) 8.292 1.006 ( -1.065 6.474 4.609) 8.018 1.270 ( -0.776 -0.778 0.473) 1.196 1.625 ( 6.098 8.478 0.683) 10.465 2.002 ( 4.128 4.300 -1.168) 6.074 2.458 ( 12.304 9.295 -0.235) 15.422 3.812 ( -0.116 0.948 1.553) 1.823 3.870 ( 1.463 -0.256 -2.179) 2.637 4.184 ( -0.014 0.427 0.184) 0.465 4.493 ( 1.742 1.802 -5.092) 5.675 4.632 ( -13.855 -9.631 1.912) 16.981 4.995 ( 1.270 -2.085 0.474) 2.487======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 3.448 8.633 4.392) 10.281 1.064 ( -0.169 5.179 1.020) 5.282 1.255 ( 0.715 -0.474 1.235) 1.504 1.827 ( 6.453 8.115 0.627) 10.386 2.084 ( 1.169 2.473 -1.794) 3.271 2.776 ( 12.403 8.939 0.842) 15.312 3.808 ( -0.748 -2.257 1.786) 2.973 3.895 ( 1.795 0.444 -1.588) 2.438 4.111 ( -8.796 -1.845 3.852) 9.778 4.309 ( -5.937 -0.999 -4.329) 7.415 4.596 ( 2.640 0.744 -2.508) 3.716 5.000 ( 1.621 -3.521 2.426) 4.573======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -1.416 2.711 2.206) 3.771 1.112 ( -0.227 4.304 -1.703) 4.635 1.333 ( 4.251 4.094 1.070) 5.998 1.988 ( 3.116 2.735 -0.777) 4.218 2.085 ( -2.019 4.402 -2.322) 5.371 3.051 ( 8.942 5.860 2.770) 11.044 3.752 ( -0.488 -5.662 5.413) 7.849 3.926 ( 0.814 1.903 -1.346) 2.469 3.996 ( -6.212 5.162 4.872) 9.433 4.258 ( -0.106 -0.572 -2.297) 2.370 4.639 ( 3.142 0.597 -4.938) 5.883 4.981 ( -0.440 -4.226 2.184) 4.778======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -0.000 6.444 7.755) 10.083 1.041 ( 0.000 0.871 -0.347) 0.937 1.307 ( 0.000 8.354 -1.092) 8.425 1.361 ( 0.000 3.093 -4.063) 5.106 1.787 ( -0.000 11.105 6.965) 13.108 2.064 ( 0.000 -2.832 -2.596) 3.841 3.780 ( -0.000 0.917 1.166) 1.484 3.857 ( 0.000 -0.779 -0.877) 1.173 4.012 ( -0.000 4.650 1.449) 4.870 4.257 ( 0.000 10.479 -5.031) 11.624 4.957 ( -0.000 -3.543 2.604) 4.397 5.378 ( 0.000 -13.566 -3.766) 14.079======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( -2.456 6.726 -0.826) 7.207 1.049 ( 0.513 1.949 -0.646) 2.116 1.317 ( -2.586 2.608 -0.880) 3.777 1.460 ( 4.165 7.902 -1.929) 9.138 1.894 ( 1.210 6.557 -1.424) 6.818 2.136 ( 4.890 8.450 3.523) 10.379 3.809 ( 1.124 1.332 0.650) 1.860 3.836 ( -0.704 -0.551 -0.618) 1.087 4.106 ( 3.816 3.524 2.135) 5.616 4.352 ( 2.218 6.362 -2.932) 7.348 4.905 ( -0.172 -10.161 4.726) 11.208 5.168 ( -7.919 -7.666 -7.136) 13.130======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.871 ( 1.447 8.848 -3.665) 9.686 1.091 ( 0.236 3.903 1.137) 4.072 1.291 ( -1.818 -0.327 0.838) 2.028 1.628 ( 4.900 9.733 0.008) 10.897 1.990 ( 3.013 5.539 -0.370) 6.316 2.376 ( 8.591 12.475 0.462) 15.154 3.827 ( 0.024 -0.039 0.506) 0.509 3.839 ( 0.841 0.819 -0.969) 1.522 4.185 ( 1.144 1.351 0.421) 1.819 4.450 ( 3.990 3.227 -0.485) 5.154 4.721 ( -7.131 -14.932 2.310) 16.708 4.990 ( -4.507 -0.777 -4.292) 6.272======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 5.189 11.740 0.317) 12.840 1.136 ( -0.234 4.200 1.655) 4.520 1.252 ( -1.474 -1.600 1.295) 2.532 1.818 ( 5.180 9.192 0.408) 10.559 2.093 ( 2.109 5.208 0.039) 5.619 2.672 ( 10.562 11.636 -0.328) 15.718 3.813 ( -1.657 -2.523 1.588) 3.411 3.858 ( 1.758 0.534 -2.297) 2.942 4.178 ( -1.692 -1.108 0.667) 2.130 4.452 ( -9.882 -2.059 -1.918) 10.275 4.547 ( 3.287 -0.120 0.017) 3.289 4.930 ( 0.676 -4.460 0.553) 4.545======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -1.846 2.725 -1.042) 3.453 1.181 ( -1.978 4.451 3.594) 6.054 1.303 ( 5.409 5.929 1.078) 8.098 1.968 ( 2.818 3.805 -0.496) 4.761 2.170 ( -0.305 8.637 -0.671) 8.668 2.958 ( 9.842 7.806 1.233) 12.622 3.734 ( -2.083 -5.343 3.191) 6.563 3.896 ( 2.478 0.720 -2.397) 3.522 4.142 ( -2.194 1.102 3.035) 3.904 4.312 ( -6.786 3.559 -1.597) 7.827 4.589 ( 1.749 0.401 -2.756) 3.288 4.911 ( 2.473 -6.182 1.763) 6.888======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 0.000 7.799 -4.773) 9.144 1.028 ( 0.000 0.357 -4.358) 4.373 1.342 ( 0.000 -1.375 -5.457) 5.628 1.498 ( 0.000 10.108 -0.362) 10.115 1.930 ( 0.000 4.633 -2.180) 5.121 2.235 ( -0.000 14.963 5.292) 15.871 3.818 ( -0.000 1.973 1.282) 2.353 3.837 ( 0.000 -0.577 -0.850) 1.028 4.113 ( -0.000 3.553 3.139) 4.741 4.386 ( 0.000 3.812 -0.353) 3.828 4.791 ( -0.000 -15.247 3.610) 15.668 5.155 ( 0.000 -3.151 -8.285) 8.864======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( -1.504 7.183 -7.576) 10.548 1.084 ( 3.621 2.590 -3.214) 5.491 1.303 ( -0.724 -1.690 -2.502) 3.105 1.641 ( 4.238 9.905 -0.897) 10.811 1.992 ( 2.190 4.451 -0.042) 4.960 2.435 ( 2.615 16.794 2.023) 17.117 3.828 ( -0.254 -0.092 0.764) 0.811 3.844 ( 0.137 1.828 -0.466) 1.892 4.175 ( 1.728 1.991 1.412) 2.991 4.415 ( 1.966 -1.923 2.383) 3.639 4.635 ( -1.138 -13.157 1.150) 13.256 5.068 ( -5.007 -0.235 -6.383) 8.116======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 5.887 9.512 -1.526) 11.290 1.156 ( 2.110 3.449 -2.451) 4.728 1.263 ( -1.214 -1.946 -0.891) 2.461 1.822 ( 4.953 9.005 -0.378) 10.284 2.091 ( 3.938 4.143 0.585) 5.746 2.670 ( 4.892 15.395 -0.071) 16.154 3.820 ( -1.379 -1.960 0.336) 2.420 3.848 ( -0.330 1.169 -0.468) 1.302 4.186 ( -0.740 -1.061 -1.106) 1.702 4.432 ( 4.909 -8.549 2.300) 10.123 4.544 ( -1.406 0.614 0.778) 1.721 4.947 ( -5.895 -1.101 -3.007) 6.708======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -0.228 -0.395 0.000) 0.456 1.237 ( 0.522 0.904 -0.000) 1.044 1.279 ( 5.903 10.224 -0.000) 11.806 1.962 ( 2.383 4.127 -0.000) 4.765 2.227 ( 4.740 8.210 -0.000) 9.480 2.904 ( 6.129 10.616 -0.000) 12.258 3.731 ( -2.949 -5.108 -0.000) 5.898 3.868 ( 0.742 1.284 -0.000) 1.483 4.159 ( -0.503 -0.871 -0.000) 1.005 4.435 ( 0.019 0.032 -0.000) 0.037 4.565 ( 0.872 1.511 -0.000) 1.745 4.838 ( -2.385 -4.131 -0.000) 4.770======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 0.000 5.655 -11.975) 13.243 1.021 ( 0.000 1.408 -3.029) 3.340 1.285 ( 0.000 -1.078 -2.057) 2.322 1.701 ( 0.000 10.138 -0.946) 10.182 2.015 ( -0.000 3.283 1.660) 3.678 2.598 ( -0.000 17.753 0.585) 17.762 3.825 ( 0.000 -0.093 -0.575) 0.583 3.872 ( -0.000 2.552 0.773) 2.666 4.187 ( -0.000 1.795 0.647) 1.908 4.321 ( -0.000 -13.364 2.284) 13.557 4.565 ( -0.000 -2.724 1.703) 3.213 5.092 ( 0.000 -0.205 -5.769) 5.772======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 3.215 5.388 -2.383) 6.711 1.099 ( 4.998 1.617 -6.282) 8.189 1.269 ( -0.829 0.771 -1.660) 2.009 1.833 ( 3.634 9.335 -0.778) 10.048 2.065 ( 2.244 1.578 2.216) 3.527 2.784 ( 1.300 16.273 -0.967) 16.354 3.822 ( -0.786 -1.009 -0.977) 1.609 3.883 ( -1.347 1.849 0.691) 2.390 4.155 ( 1.467 -6.891 -5.352) 8.847 4.265 ( 3.281 -4.965 4.756) 7.618 4.569 ( -0.181 1.173 3.315) 3.521 5.031 ( -4.485 -0.662 -3.994) 6.043======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 0.000 2.809 -5.120) 5.840 1.047 ( 0.000 2.052 -0.145) 2.057 1.288 ( 0.000 2.876 -2.154) 3.594 1.891 ( 0.000 8.882 -0.555) 8.899 2.059 ( -0.000 -0.937 3.527) 3.650 2.926 ( 0.000 14.276 -2.357) 14.469 3.828 ( 0.000 0.532 -0.159) 0.555 3.922 ( 0.000 2.014 -0.184) 2.022 3.985 ( 0.000 -11.681 -7.708) 13.995 4.253 ( -0.000 0.382 3.348) 3.370 4.602 ( -0.000 2.342 5.089) 5.602 5.046 ( 0.000 -1.849 -3.468) 3.930======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -0.000 0.000 13.668) 13.668 0.835 ( -0.000 0.000 13.668) 13.668 1.211 ( 0.000 -0.000 -5.759) 5.759 1.211 ( 0.000 -0.000 -5.759) 5.759 1.440 ( -0.000 0.000 27.885) 27.885 2.409 ( 0.000 -0.000 -19.381) 19.381 3.768 ( -0.000 0.000 1.732) 1.732 3.768 ( -0.000 0.000 1.732) 1.732 3.885 ( 0.000 -0.000 -1.882) 1.882 3.885 ( 0.000 -0.000 -1.882) 1.882 4.974 ( -0.000 0.000 1.658) 1.658 5.785 ( 0.000 -0.000 -0.362) 0.362======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( -1.962 -1.133 14.663) 14.837 0.928 ( -0.937 -0.541 13.736) 13.778 1.198 ( 1.780 1.027 -6.705) 7.013 1.251 ( 3.300 1.905 -4.309) 5.752 1.598 ( 5.850 3.377 17.103) 18.388 2.220 ( -7.498 -4.329 -11.721) 14.571 3.776 ( 0.093 0.054 1.575) 1.578 3.881 ( -0.048 -0.027 -2.074) 2.075 3.934 ( 4.706 2.717 -0.621) 5.469 3.964 ( 12.903 7.449 -4.306) 15.508 4.982 ( 0.273 0.158 1.193) 1.234 5.649 ( -11.075 -6.394 0.283) 12.791======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 1.587 0.916 11.897) 12.038 0.881 ( -5.541 -3.199 9.961) 11.839 1.238 ( 2.568 1.483 -3.315) 4.447 1.341 ( 5.400 3.118 -2.080) 6.574 1.774 ( 6.246 3.606 2.625) 7.675 2.129 ( 2.572 1.485 -2.200) 3.696 3.784 ( 0.289 0.167 1.343) 1.384 3.872 ( -0.101 -0.058 -2.102) 2.105 4.062 ( 5.398 3.117 0.228) 6.237 4.234 ( 10.742 6.202 -6.008) 13.782 4.994 ( 0.559 0.323 0.421) 0.771 5.304 ( -17.710 -10.225 1.132) 20.481======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -0.900 -0.520 8.439) 8.503 0.917 ( 2.801 1.617 6.740) 7.475 1.274 ( 0.538 0.311 0.378) 0.728 1.493 ( 7.697 4.444 0.127) 8.889 1.917 ( 5.897 3.404 -0.893) 6.867 2.298 ( 11.123 6.422 -1.019) 12.884 3.799 ( 0.623 0.359 1.605) 1.759 3.867 ( 0.366 0.211 -2.263) 2.302 4.158 ( 2.685 1.550 -1.004) 3.259 4.419 ( 6.092 3.517 -4.417) 8.306 4.853 ( -18.551 -10.710 -1.595) 21.480 5.022 ( 0.069 0.040 4.310) 4.310======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 5.300 3.060 9.900) 11.638 0.994 ( 2.433 1.405 2.547) 3.792 1.269 ( -0.631 -0.364 1.154) 1.365 1.692 ( 8.757 5.056 0.935) 10.155 2.031 ( 3.689 2.130 -1.814) 4.630 2.602 ( 14.160 8.175 -0.070) 16.351 3.817 ( 0.396 0.229 1.121) 1.211 3.883 ( 1.532 0.885 -1.329) 2.213 4.177 ( -2.231 -1.288 2.043) 3.288 4.364 ( -11.286 -6.516 -5.852) 14.286 4.577 ( -0.118 -0.068 -0.842) 0.853 5.046 ( 0.322 0.186 3.982) 3.999======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( -0.000 -4.499 15.971) 16.593 1.012 ( -0.000 3.167 5.515) 6.359 1.174 ( 0.000 3.237 -4.837) 5.820 1.253 ( 0.000 5.200 -5.532) 7.592 1.657 ( -0.000 4.938 18.495) 19.143 2.173 ( 0.000 -8.294 -13.049) 15.461 3.776 ( -0.000 0.034 1.397) 1.397 3.868 ( 0.000 -0.493 -1.145) 1.246 3.907 ( 0.000 6.216 -0.530) 6.239 3.979 ( 0.000 12.528 -3.156) 12.919 4.984 ( -0.000 -0.030 1.089) 1.090 5.656 ( 0.000 -11.692 -0.294) 11.695======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( -0.453 -3.051 11.851) 12.246 1.014 ( -2.327 1.420 0.414) 2.757 1.226 ( 0.807 5.069 0.067) 5.133 1.314 ( 2.698 5.881 -4.242) 7.737 1.765 ( 1.624 5.243 6.110) 8.213 2.083 ( 1.456 -1.607 -4.047) 4.591 3.791 ( 0.440 0.648 1.055) 1.314 3.848 ( 0.050 -0.947 -1.262) 1.579 4.025 ( 4.517 4.862 1.256) 6.754 4.149 ( 5.679 11.438 -4.659) 13.594 4.988 ( 0.360 -0.346 0.906) 1.034 5.427 ( -9.839 -14.649 -0.509) 17.654======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( 0.505 -2.222 3.840) 4.466 1.010 ( -1.952 4.801 3.533) 6.272 1.278 ( 0.297 1.955 1.843) 2.703 1.446 ( 4.991 7.807 -0.520) 9.281 1.873 ( 3.793 5.296 0.294) 6.521 2.188 ( 7.968 6.085 -1.203) 10.098 3.808 ( 0.117 1.282 0.982) 1.619 3.843 ( 0.845 -0.986 -1.600) 2.061 4.136 ( 2.483 3.599 -0.305) 4.383 4.341 ( 6.435 6.334 -2.578) 9.390 4.991 ( -1.556 -0.410 -2.304) 2.810 5.050 ( -12.790 -15.281 3.303) 20.199======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 5.555 4.215 5.679) 8.993 1.049 ( -1.189 5.244 4.211) 6.830 1.281 ( -1.025 -0.652 1.948) 2.296 1.632 ( 6.322 8.592 0.878) 10.704 1.994 ( 3.635 4.474 -0.526) 5.788 2.451 ( 12.578 9.611 -1.272) 15.881 3.826 ( -0.129 0.834 1.192) 1.461 3.851 ( 1.647 -0.151 -1.728) 2.392 4.183 ( 0.511 1.153 -0.399) 1.322 4.447 ( -1.012 1.576 -4.339) 4.726 4.641 ( -12.273 -8.621 0.023) 14.998 5.017 ( 2.250 -3.213 4.125) 5.692======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( -0.000 0.186 9.051) 9.053 1.011 ( 0.000 -0.358 -5.925) 5.936 1.307 ( 0.000 3.061 -7.045) 7.681 1.307 ( -0.000 8.579 0.998) 8.637 1.820 ( -0.000 4.731 0.006) 4.731 2.063 ( -0.000 3.240 2.593) 4.150 3.791 ( -0.000 0.844 0.862) 1.206 3.851 ( 0.000 -0.686 -0.259) 0.733 4.031 ( -0.000 5.462 2.432) 5.979 4.218 ( 0.000 11.492 -3.084) 11.899 4.978 ( -0.000 -1.931 1.919) 2.722 5.345 ( 0.000 -16.568 -3.143) 16.863======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( -3.453 1.061 -1.476) 3.902 1.035 ( 2.783 1.789 -2.097) 3.916 1.301 ( -0.251 1.506 -2.500) 2.929 1.447 ( 4.451 8.753 -0.752) 9.848 1.881 ( 1.973 5.571 -1.267) 6.044 2.168 ( 2.970 9.635 2.946) 10.504 3.813 ( 0.850 1.135 0.028) 1.418 3.833 ( -0.800 -0.258 0.311) 0.897 4.126 ( 3.021 3.635 1.803) 5.059 4.333 ( 2.278 8.094 -0.770) 8.444 4.951 ( 0.574 -8.502 4.902) 9.831 5.103 ( -7.965 -10.824 -6.639) 14.989======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 4.039 6.995 -0.000) 8.078 1.096 ( 1.641 2.842 0.000) 3.282 1.296 ( -0.576 -0.997 -0.000) 1.151 1.629 ( 5.511 9.546 -0.000) 11.022 1.988 ( 3.298 5.712 -0.000) 6.595 2.378 ( 7.379 12.780 -0.000) 14.757 3.829 ( 0.170 0.294 0.000) 0.339 3.835 ( 0.361 0.625 -0.000) 0.722 4.187 ( 0.718 1.243 -0.000) 1.435 4.447 ( 2.760 4.780 -0.000) 5.520 4.733 ( -8.859 -15.345 -0.000) 17.719 4.968 ( -1.020 -1.766 0.000) 2.039======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( 0.000 2.286 -6.212) 6.619 0.978 ( 0.000 1.306 -6.054) 6.193 1.295 ( 0.000 -0.021 -4.032) 4.032 1.495 ( 0.000 9.594 -0.271) 9.598 1.916 ( 0.000 5.964 -0.675) 6.002 2.277 ( -0.000 13.526 3.453) 13.960 3.815 ( 0.000 1.093 -1.464) 1.827 3.845 ( -0.000 0.189 2.072) 2.080 4.141 ( -0.000 3.416 2.601) 4.294 4.391 ( -0.000 5.672 1.650) 5.907 4.825 ( -0.000 -17.705 3.597) 18.067 5.081 ( 0.000 -2.326 -7.428) 7.783======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( -0.000 0.000 10.987) 10.987 0.951 ( -0.000 0.000 10.987) 10.987 1.151 ( 0.000 -0.000 -6.943) 6.943 1.151 ( 0.000 -0.000 -6.943) 6.943 1.688 ( -0.000 0.000 24.270) 24.270 2.221 ( 0.000 -0.000 -20.048) 20.048 3.782 ( -0.000 0.000 1.307) 1.307 3.782 ( -0.000 0.000 1.307) 1.307 3.869 ( 0.000 -0.000 -1.391) 1.391 3.869 ( 0.000 -0.000 -1.391) 1.391 4.986 ( -0.000 0.000 0.910) 0.910 5.782 ( 0.000 -0.000 -0.205) 0.205======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -1.863 -1.075 12.096) 12.286 1.009 ( -1.723 -0.995 0.755) 2.128 1.149 ( 3.311 1.912 -0.596) 3.870 1.206 ( 4.307 2.487 -4.997) 7.050 1.749 ( -0.210 -0.121 13.473) 13.475 2.106 ( -2.736 -1.580 -11.184) 11.622 3.787 ( 0.021 0.012 0.693) 0.693 3.864 ( -0.125 -0.072 -1.226) 1.234 3.920 ( 7.292 4.210 -1.911) 8.634 3.947 ( 8.754 5.054 0.201) 10.110 4.990 ( 0.120 0.069 0.474) 0.494 5.651 ( -10.738 -6.199 0.217) 12.401======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( -4.225 -2.439 -3.039) 5.747 0.935 ( 0.238 0.138 9.837) 9.841 1.244 ( 3.049 1.760 4.874) 6.013 1.322 ( 6.490 3.747 -1.998) 7.755 1.801 ( 3.379 1.951 2.985) 4.913 2.099 ( 4.280 2.471 -4.045) 6.386 3.793 ( 0.476 0.275 0.480) 0.730 3.855 ( -0.316 -0.182 -1.243) 1.296 4.054 ( 5.160 2.979 -1.984) 6.280 4.204 ( 10.553 6.093 -0.533) 12.197 4.992 ( -0.279 -0.161 -0.896) 0.952 5.320 ( -16.529 -9.543 2.252) 19.218======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.939 ( -0.000 -3.678 12.573) 13.100 1.009 ( 0.000 -1.442 -6.462) 6.621 1.164 ( -0.000 5.950 3.113) 6.716 1.193 ( 0.000 5.177 -6.856) 8.591 1.792 ( -0.000 -1.086 7.222) 7.303 2.069 ( 0.000 -2.660 -5.975) 6.541 3.786 ( -0.000 -0.019 0.748) 0.749 3.860 ( 0.000 -0.285 -0.300) 0.414 3.908 ( -0.000 7.457 0.659) 7.486 3.956 ( 0.000 10.559 -1.645) 10.686 4.990 ( -0.000 0.019 0.335) 0.336 5.653 ( 0.000 -12.042 -0.266) 12.045======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( -3.206 -5.553 0.000) 6.412 0.997 ( 0.766 1.327 -0.000) 1.532 1.237 ( 2.089 3.619 0.000) 4.179 1.285 ( 4.002 6.931 -0.000) 8.003 1.797 ( 1.010 1.749 0.000) 2.019 2.061 ( 1.100 1.905 -0.000) 2.199 3.797 ( 0.350 0.606 -0.000) 0.700 3.842 ( -0.374 -0.648 -0.000) 0.748 4.033 ( 3.321 5.752 0.000) 6.642 4.125 ( 6.361 11.017 -0.000) 12.721 4.992 ( 0.028 0.049 -0.000) 0.056 5.424 ( -8.994 -15.578 -0.000) 17.988======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 0.000 -0.000 -0.000) 0.000 1.021 ( 0.000 -0.000 -0.000) 0.000 1.100 ( -0.000 0.000 0.000) 0.000 1.100 ( -0.000 0.000 0.000) 0.000 1.840 ( 0.000 -0.000 -0.000) 0.000 2.088 ( -0.000 0.000 0.000) 0.000 3.789 ( -0.000 0.000 0.000) 0.000 3.789 ( -0.000 0.000 0.000) 0.000 3.862 ( -0.000 0.000 0.000) 0.000 3.862 ( -0.000 0.000 0.000) 0.000 4.991 ( -0.000 0.000 0.000) 0.000 5.781 ( -0.000 0.000 0.000) 0.000=================== 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 3/32928 10.0 156.686 156.686 213.567 0.000 -0.000 -0.000 3/32928 20.0 39.025 39.025 42.280 0.000 -0.000 -0.000 3/32928 30.0 21.055 21.055 20.631 0.000 -0.000 -0.000 3/32928 40.0 14.189 14.189 13.223 0.000 -0.000 -0.000 3/32928 50.0 10.676 10.676 9.664 0.000 -0.000 -0.000 3/32928 60.0 8.591 8.591 7.632 0.000 -0.000 -0.000 3/32928 70.0 7.221 7.221 6.332 0.000 -0.000 -0.000 3/32928 80.0 6.251 6.251 5.429 0.000 -0.000 -0.000 3/32928 90.0 5.525 5.525 4.764 0.000 -0.000 -0.000 3/32928 100.0 4.958 4.958 4.252 0.000 -0.000 -0.000 3/32928 110.0 4.502 4.502 3.845 0.000 -0.000 -0.000 3/32928 120.0 4.126 4.126 3.512 0.000 -0.000 -0.000 3/32928 130.0 3.811 3.811 3.234 0.000 -0.000 -0.000 3/32928 140.0 3.541 3.541 2.999 0.000 -0.000 -0.000 3/32928 150.0 3.308 3.308 2.796 0.000 -0.000 -0.000 3/32928 160.0 3.105 3.105 2.620 0.000 -0.000 -0.000 3/32928 170.0 2.926 2.926 2.466 0.000 -0.000 -0.000 3/32928 180.0 2.766 2.766 2.328 0.000 -0.000 -0.000 3/32928 190.0 2.623 2.623 2.206 0.000 -0.000 -0.000 3/32928 200.0 2.495 2.495 2.096 0.000 -0.000 -0.000 3/32928 210.0 2.378 2.378 1.997 0.000 -0.000 -0.000 3/32928 220.0 2.273 2.273 1.907 0.000 -0.000 -0.000 3/32928 230.0 2.176 2.176 1.824 0.000 -0.000 -0.000 3/32928 240.0 2.087 2.087 1.749 0.000 -0.000 -0.000 3/32928 250.0 2.005 2.005 1.680 0.000 -0.000 -0.000 3/32928 260.0 1.930 1.930 1.616 0.000 -0.000 -0.000 3/32928 270.0 1.859 1.859 1.556 0.000 -0.000 -0.000 3/32928 280.0 1.794 1.794 1.501 0.000 -0.000 -0.000 3/32928 290.0 1.734 1.734 1.450 0.000 -0.000 -0.000 3/32928 300.0 1.677 1.677 1.402 0.000 -0.000 -0.000 3/32928 310.0 1.624 1.624 1.357 0.000 -0.000 -0.000 3/32928 320.0 1.574 1.574 1.315 0.000 -0.000 -0.000 3/32928 330.0 1.527 1.527 1.276 0.000 -0.000 -0.000 3/32928 340.0 1.483 1.483 1.239 0.000 -0.000 -0.000 3/32928 350.0 1.441 1.441 1.204 0.000 -0.000 -0.000 3/32928 360.0 1.402 1.402 1.171 0.000 -0.000 -0.000 3/32928 370.0 1.365 1.365 1.139 0.000 -0.000 -0.000 3/32928 380.0 1.329 1.329 1.110 0.000 -0.000 -0.000 3/32928 390.0 1.296 1.296 1.082 0.000 -0.000 -0.000 3/32928 400.0 1.264 1.264 1.055 0.000 -0.000 -0.000 3/32928 410.0 1.234 1.234 1.029 0.000 -0.000 -0.000 3/32928 420.0 1.205 1.205 1.005 0.000 -0.000 -0.000 3/32928 430.0 1.177 1.177 0.982 0.000 -0.000 -0.000 3/32928 440.0 1.151 1.151 0.960 0.000 -0.000 -0.000 3/32928 450.0 1.126 1.126 0.939 0.000 -0.000 -0.000 3/32928 460.0 1.101 1.101 0.919 0.000 -0.000 -0.000 3/32928 470.0 1.078 1.078 0.899 0.000 -0.000 -0.000 3/32928 480.0 1.056 1.056 0.881 0.000 -0.000 -0.000 3/32928 490.0 1.035 1.035 0.863 0.000 -0.000 -0.000 3/32928 500.0 1.014 1.014 0.846 0.000 -0.000 -0.000 3/32928 510.0 0.995 0.995 0.829 0.000 -0.000 -0.000 3/32928 520.0 0.976 0.976 0.814 0.000 -0.000 -0.000 3/32928 530.0 0.958 0.958 0.798 0.000 -0.000 -0.000 3/32928 540.0 0.940 0.940 0.784 0.000 -0.000 -0.000 3/32928 550.0 0.923 0.923 0.770 0.000 -0.000 -0.000 3/32928 560.0 0.907 0.907 0.756 0.000 -0.000 -0.000 3/32928 570.0 0.891 0.891 0.743 0.000 -0.000 -0.000 3/32928 580.0 0.876 0.876 0.730 0.000 -0.000 -0.000 3/32928 590.0 0.862 0.862 0.718 0.000 -0.000 -0.000 3/32928 600.0 0.847 0.847 0.706 0.000 -0.000 -0.000 3/32928 610.0 0.834 0.834 0.695 0.000 -0.000 -0.000 3/32928 620.0 0.820 0.820 0.683 0.000 -0.000 -0.000 3/32928 630.0 0.807 0.807 0.673 0.000 -0.000 -0.000 3/32928 640.0 0.795 0.795 0.662 0.000 -0.000 -0.000 3/32928 650.0 0.783 0.783 0.652 0.000 -0.000 -0.000 3/32928 660.0 0.771 0.771 0.642 0.000 -0.000 -0.000 3/32928 670.0 0.760 0.760 0.633 0.000 -0.000 -0.000 3/32928 680.0 0.749 0.749 0.624 0.000 -0.000 -0.000 3/32928 690.0 0.738 0.738 0.615 0.000 -0.000 -0.000 3/32928 700.0 0.728 0.728 0.606 0.000 -0.000 -0.000 3/32928 710.0 0.717 0.717 0.597 0.000 -0.000 -0.000 3/32928 720.0 0.707 0.707 0.589 0.000 -0.000 -0.000 3/32928 730.0 0.698 0.698 0.581 0.000 -0.000 -0.000 3/32928 740.0 0.689 0.689 0.573 0.000 -0.000 -0.000 3/32928 750.0 0.679 0.679 0.566 0.000 -0.000 -0.000 3/32928 760.0 0.671 0.671 0.558 0.000 -0.000 -0.000 3/32928 770.0 0.662 0.662 0.551 0.000 -0.000 -0.000 3/32928 780.0 0.654 0.654 0.544 0.000 -0.000 -0.000 3/32928 790.0 0.645 0.645 0.537 0.000 -0.000 -0.000 3/32928 800.0 0.637 0.637 0.531 0.000 -0.000 -0.000 3/32928 810.0 0.630 0.630 0.524 0.000 -0.000 -0.000 3/32928 820.0 0.622 0.622 0.518 0.000 -0.000 -0.000 3/32928 830.0 0.615 0.615 0.512 0.000 -0.000 -0.000 3/32928 840.0 0.607 0.607 0.506 0.000 -0.000 -0.000 3/32928 850.0 0.600 0.600 0.500 0.000 -0.000 -0.000 3/32928 860.0 0.593 0.593 0.494 0.000 -0.000 -0.000 3/32928 870.0 0.587 0.587 0.488 0.000 -0.000 -0.000 3/32928 880.0 0.580 0.580 0.483 0.000 -0.000 -0.000 3/32928 890.0 0.573 0.573 0.477 0.000 -0.000 -0.000 3/32928 900.0 0.567 0.567 0.472 0.000 -0.000 -0.000 3/32928 910.0 0.561 0.561 0.467 0.000 -0.000 -0.000 3/32928 920.0 0.555 0.555 0.462 0.000 -0.000 -0.000 3/32928 930.0 0.549 0.549 0.457 0.000 -0.000 -0.000 3/32928 940.0 0.543 0.543 0.452 0.000 -0.000 -0.000 3/32928 950.0 0.538 0.538 0.447 0.000 -0.000 -0.000 3/32928 960.0 0.532 0.532 0.443 0.000 -0.000 -0.000 3/32928 970.0 0.527 0.527 0.438 0.000 -0.000 -0.000 3/32928 980.0 0.521 0.521 0.434 0.000 -0.000 -0.000 3/32928 990.0 0.516 0.516 0.429 0.000 -0.000 -0.000 3/32928 1000.0 0.511 0.511 0.425 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:49:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|