# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/c8606711-2948-4313-8ac7-a6f0f52710b1/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 LiHoS2 / R-3m (166) / materials id 15790](https://mdr.nims.go.jp/datasets/4907246b-1c6a-4698-85f1-5e15508fc1ae) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:42:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 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 1.921235309953379 1.109225723378195 6.060245979999993 b -1.921235309953375 1.109225723378195 6.060245979999993 c 0.000000000000002 -2.218451446756393 6.060245979999993Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 S 0.24939515743199 0.24939515743199 0.24939515743199 32.065 3 S 0.75060484256802 0.75060484256802 0.75060484256802 32.065 *4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.842470619906754 0.000000000000000 0.000000000000000 b -1.921235309953377 3.327677170134588 0.000000000000000 c 0.000000000000000 0.000000000000000 18.180737940000000Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 S 0.00000000000000 0.00000000000000 0.24939515743199 32.065 > 2 5 S 0.66666666666667 0.33333333333333 0.08393817590135 32.065 > 3 6 S 0.66666666666667 0.33333333333333 0.58272849076532 32.065 > 2 7 S 0.33333333333333 0.66666666666667 0.41727150923468 32.065 > 3 8 S 0.33333333333333 0.66666666666667 0.91606182409865 32.065 > 2 9 S 0.00000000000000 0.00000000000000 0.75060484256801 32.065 > 3 *10 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 11 Ho 0.66666666666667 0.33333333333333 0.33333333333333 164.930 > 4 12 Ho 0.33333333333333 0.66666666666667 0.66666666666667 164.930 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 11.527411859720262 0.000000000000000 0.000000000000000 b -5.763705929860131 9.983031510403764 0.000000000000000 c 0.000000000000000 0.000000000000000 18.180737940000000Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 S 0.00000000000000 0.00000000000000 0.24939515743199 32.065 > 2 29 S 0.33333333333333 0.00000000000000 0.24939515743199 32.065 > 2 30 S 0.66666666666667 0.00000000000000 0.24939515743199 32.065 > 2 31 S 0.00000000000000 0.33333333333333 0.24939515743199 32.065 > 2 32 S 0.33333333333333 0.33333333333333 0.24939515743199 32.065 > 2 33 S 0.66666666666667 0.33333333333333 0.24939515743199 32.065 > 2 34 S 0.00000000000000 0.66666666666667 0.24939515743199 32.065 > 2 35 S 0.33333333333333 0.66666666666667 0.24939515743199 32.065 > 2 36 S 0.66666666666667 0.66666666666667 0.24939515743199 32.065 > 2 37 S 0.22222222222222 0.11111111111111 0.08393817590135 32.065 > 3 38 S 0.55555555555556 0.11111111111111 0.08393817590135 32.065 > 3 39 S 0.88888888888889 0.11111111111111 0.08393817590135 32.065 > 3 40 S 0.22222222222222 0.44444444444444 0.08393817590135 32.065 > 3 41 S 0.55555555555556 0.44444444444444 0.08393817590135 32.065 > 3 42 S 0.88888888888889 0.44444444444444 0.08393817590135 32.065 > 3 43 S 0.22222222222222 0.77777777777778 0.08393817590135 32.065 > 3 44 S 0.55555555555556 0.77777777777778 0.08393817590135 32.065 > 3 45 S 0.88888888888889 0.77777777777778 0.08393817590135 32.065 > 3 46 S 0.22222222222222 0.11111111111111 0.58272849076532 32.065 > 2 47 S 0.55555555555556 0.11111111111111 0.58272849076532 32.065 > 2 48 S 0.88888888888889 0.11111111111111 0.58272849076532 32.065 > 2 49 S 0.22222222222222 0.44444444444444 0.58272849076532 32.065 > 2 50 S 0.55555555555556 0.44444444444444 0.58272849076532 32.065 > 2 51 S 0.88888888888889 0.44444444444444 0.58272849076532 32.065 > 2 52 S 0.22222222222222 0.77777777777778 0.58272849076532 32.065 > 2 53 S 0.55555555555556 0.77777777777778 0.58272849076532 32.065 > 2 54 S 0.88888888888889 0.77777777777778 0.58272849076532 32.065 > 2 55 S 0.11111111111111 0.22222222222222 0.41727150923468 32.065 > 3 56 S 0.44444444444444 0.22222222222222 0.41727150923468 32.065 > 3 57 S 0.77777777777778 0.22222222222222 0.41727150923468 32.065 > 3 58 S 0.11111111111111 0.55555555555556 0.41727150923468 32.065 > 3 59 S 0.44444444444444 0.55555555555556 0.41727150923468 32.065 > 3 60 S 0.77777777777778 0.55555555555556 0.41727150923468 32.065 > 3 61 S 0.11111111111111 0.88888888888889 0.41727150923468 32.065 > 3 62 S 0.44444444444444 0.88888888888889 0.41727150923468 32.065 > 3 63 S 0.77777777777778 0.88888888888889 0.41727150923468 32.065 > 3 64 S 0.11111111111111 0.22222222222222 0.91606182409865 32.065 > 2 65 S 0.44444444444444 0.22222222222222 0.91606182409865 32.065 > 2 66 S 0.77777777777778 0.22222222222222 0.91606182409865 32.065 > 2 67 S 0.11111111111111 0.55555555555556 0.91606182409865 32.065 > 2 68 S 0.44444444444444 0.55555555555556 0.91606182409865 32.065 > 2 69 S 0.77777777777778 0.55555555555556 0.91606182409865 32.065 > 2 70 S 0.11111111111111 0.88888888888889 0.91606182409865 32.065 > 2 71 S 0.44444444444444 0.88888888888889 0.91606182409865 32.065 > 2 72 S 0.77777777777778 0.88888888888889 0.91606182409865 32.065 > 2 73 S 0.00000000000000 0.00000000000000 0.75060484256801 32.065 > 3 74 S 0.33333333333333 0.00000000000000 0.75060484256801 32.065 > 3 75 S 0.66666666666667 0.00000000000000 0.75060484256801 32.065 > 3 76 S 0.00000000000000 0.33333333333333 0.75060484256801 32.065 > 3 77 S 0.33333333333333 0.33333333333333 0.75060484256801 32.065 > 3 78 S 0.66666666666667 0.33333333333333 0.75060484256801 32.065 > 3 79 S 0.00000000000000 0.66666666666667 0.75060484256801 32.065 > 3 80 S 0.33333333333333 0.66666666666667 0.75060484256801 32.065 > 3 81 S 0.66666666666667 0.66666666666667 0.75060484256801 32.065 > 3 *82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 4 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 4 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 4 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 4 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 4 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 4 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 4 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 4 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 4 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 4 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 4 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 4 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 4 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 4 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 4 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 4 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 4 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 4 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 4 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 4 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 4 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 4 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 4 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 4 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 4 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.9007031 -0.0000000 0.0000000 -0.0000000 6.9007031 0.0000000 0.0000000 0.0000000 5.4675818-------------------------- Born effective charges -------------------------- 1 Li 1.2284630 -0.0000000 0.0000000 0.0000000 1.2284630 0.0000000 0.0000000 0.0000000 1.6451960 2 S -2.8106545 0.0000000 0.0000000 -0.0000000 -2.8106545 0.0000000 0.0000000 0.0000000 -2.0324617 3 S -2.8106545 0.0000000 0.0000000 -0.0000000 -2.8106545 0.0000000 0.0000000 0.0000000 -2.0324617 4 Ho 4.3928461 -0.0000000 0.0000000 0.0000000 4.3928461 0.0000000 0.0000000 0.0000000 2.4197274----------------------------------------------------------------------------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: 166Finding 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): 0.005Solver_block: 80 / 80 - Time: 0.133Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.140--------------------------------- 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: 166Finding 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 (yy) 0.00000000 (yy) 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 01:42:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:42:53]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [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 1.921235309953379 1.109225723378195 6.060245979999993 b -1.921235309953375 1.109225723378195 6.060245979999993 c 0.000000000000002 -2.218451446756393 6.060245979999993Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.24939515743199 0.24939515743199 0.24939515743199 32.065 3 S 0.75060484256802 0.75060484256802 0.75060484256802 32.065 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 11.527411859720262 0.000000000000000 0.000000000000000 b -5.763705929860131 9.983031510403764 0.000000000000000 c 0.000000000000000 0.000000000000000 18.180737940000000Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 S 0.00000000000000 0.00000000000000 0.24939515743199 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.24939515743199 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.24939515743199 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.24939515743199 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.24939515743199 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.24939515743199 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.24939515743199 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.24939515743199 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.24939515743199 32.065 > 28 37 S 0.22222222222222 0.11111111111111 0.08393817590135 32.065 > 37 38 S 0.55555555555556 0.11111111111111 0.08393817590135 32.065 > 37 39 S 0.88888888888889 0.11111111111111 0.08393817590135 32.065 > 37 40 S 0.22222222222222 0.44444444444444 0.08393817590135 32.065 > 37 41 S 0.55555555555556 0.44444444444444 0.08393817590135 32.065 > 37 42 S 0.88888888888889 0.44444444444444 0.08393817590135 32.065 > 37 43 S 0.22222222222222 0.77777777777778 0.08393817590135 32.065 > 37 44 S 0.55555555555556 0.77777777777778 0.08393817590135 32.065 > 37 45 S 0.88888888888889 0.77777777777778 0.08393817590135 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.58272849076532 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.58272849076532 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.58272849076532 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.58272849076532 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.58272849076532 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.58272849076532 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.58272849076532 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.58272849076532 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.58272849076532 32.065 > 28 55 S 0.11111111111111 0.22222222222222 0.41727150923468 32.065 > 37 56 S 0.44444444444444 0.22222222222222 0.41727150923468 32.065 > 37 57 S 0.77777777777778 0.22222222222222 0.41727150923468 32.065 > 37 58 S 0.11111111111111 0.55555555555556 0.41727150923468 32.065 > 37 59 S 0.44444444444444 0.55555555555556 0.41727150923468 32.065 > 37 60 S 0.77777777777778 0.55555555555556 0.41727150923468 32.065 > 37 61 S 0.11111111111111 0.88888888888889 0.41727150923468 32.065 > 37 62 S 0.44444444444444 0.88888888888889 0.41727150923468 32.065 > 37 63 S 0.77777777777778 0.88888888888889 0.41727150923468 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.91606182409865 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.91606182409865 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.91606182409865 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.91606182409865 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.91606182409865 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.91606182409865 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.91606182409865 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.91606182409865 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.91606182409865 32.065 > 28 73 S 0.00000000000000 0.00000000000000 0.75060484256801 32.065 > 37 74 S 0.33333333333333 0.00000000000000 0.75060484256801 32.065 > 37 75 S 0.66666666666667 0.00000000000000 0.75060484256801 32.065 > 37 76 S 0.00000000000000 0.33333333333333 0.75060484256801 32.065 > 37 77 S 0.33333333333333 0.33333333333333 0.75060484256801 32.065 > 37 78 S 0.66666666666667 0.33333333333333 0.75060484256801 32.065 > 37 79 S 0.00000000000000 0.66666666666667 0.75060484256801 32.065 > 37 80 S 0.33333333333333 0.66666666666667 0.75060484256801 32.065 > 37 81 S 0.66666666666667 0.66666666666667 0.75060484256801 32.065 > 37 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.9007031 -0.0000000 0.0000000 -0.0000000 6.9007031 0.0000000 0.0000000 0.0000000 5.4675818-------------------------- Born effective charges -------------------------- 1 Li 1.2284630 -0.0000000 0.0000000 0.0000000 1.2284630 0.0000000 0.0000000 0.0000000 1.6451960 2 S -2.8106545 0.0000000 0.0000000 -0.0000000 -2.8106545 0.0000000 0.0000000 0.0000000 -2.0324617 3 S -2.8106545 0.0000000 0.0000000 -0.0000000 -2.8106545 0.0000000 0.0000000 0.0000000 -2.0324617 4 Ho 4.3928461 -0.0000000 0.0000000 0.0000000 4.3928461 0.0000000 0.0000000 0.0000000 2.4197274----------------------------------------------------------------------------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[ 82, 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 (zxz) 0.00000000 (zxz) 0.00000000 (zzx)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 01:42:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:42:57]-------------------------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 1.921235309953379 1.109225723378195 6.060245979999993 b -1.921235309953375 1.109225723378195 6.060245979999993 c 0.000000000000002 -2.218451446756393 6.060245979999993Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.24939515743199 0.24939515743199 0.24939515743199 32.065 3 S 0.75060484256802 0.75060484256802 0.75060484256802 32.065 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 11.527411859720262 0.000000000000000 0.000000000000000 b -5.763705929860131 9.983031510403764 0.000000000000000 c 0.000000000000000 0.000000000000000 18.180737940000000Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 S 0.00000000000000 0.00000000000000 0.24939515743199 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.24939515743199 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.24939515743199 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.24939515743199 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.24939515743199 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.24939515743199 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.24939515743199 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.24939515743199 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.24939515743199 32.065 > 28 37 S 0.22222222222222 0.11111111111111 0.08393817590135 32.065 > 37 38 S 0.55555555555556 0.11111111111111 0.08393817590135 32.065 > 37 39 S 0.88888888888889 0.11111111111111 0.08393817590135 32.065 > 37 40 S 0.22222222222222 0.44444444444444 0.08393817590135 32.065 > 37 41 S 0.55555555555556 0.44444444444444 0.08393817590135 32.065 > 37 42 S 0.88888888888889 0.44444444444444 0.08393817590135 32.065 > 37 43 S 0.22222222222222 0.77777777777778 0.08393817590135 32.065 > 37 44 S 0.55555555555556 0.77777777777778 0.08393817590135 32.065 > 37 45 S 0.88888888888889 0.77777777777778 0.08393817590135 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.58272849076532 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.58272849076532 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.58272849076532 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.58272849076532 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.58272849076532 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.58272849076532 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.58272849076532 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.58272849076532 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.58272849076532 32.065 > 28 55 S 0.11111111111111 0.22222222222222 0.41727150923468 32.065 > 37 56 S 0.44444444444444 0.22222222222222 0.41727150923468 32.065 > 37 57 S 0.77777777777778 0.22222222222222 0.41727150923468 32.065 > 37 58 S 0.11111111111111 0.55555555555556 0.41727150923468 32.065 > 37 59 S 0.44444444444444 0.55555555555556 0.41727150923468 32.065 > 37 60 S 0.77777777777778 0.55555555555556 0.41727150923468 32.065 > 37 61 S 0.11111111111111 0.88888888888889 0.41727150923468 32.065 > 37 62 S 0.44444444444444 0.88888888888889 0.41727150923468 32.065 > 37 63 S 0.77777777777778 0.88888888888889 0.41727150923468 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.91606182409865 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.91606182409865 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.91606182409865 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.91606182409865 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.91606182409865 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.91606182409865 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.91606182409865 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.91606182409865 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.91606182409865 32.065 > 28 73 S 0.00000000000000 0.00000000000000 0.75060484256801 32.065 > 37 74 S 0.33333333333333 0.00000000000000 0.75060484256801 32.065 > 37 75 S 0.66666666666667 0.00000000000000 0.75060484256801 32.065 > 37 76 S 0.00000000000000 0.33333333333333 0.75060484256801 32.065 > 37 77 S 0.33333333333333 0.33333333333333 0.75060484256801 32.065 > 37 78 S 0.66666666666667 0.33333333333333 0.75060484256801 32.065 > 37 79 S 0.00000000000000 0.66666666666667 0.75060484256801 32.065 > 37 80 S 0.33333333333333 0.66666666666667 0.75060484256801 32.065 > 37 81 S 0.66666666666667 0.66666666666667 0.75060484256801 32.065 > 37 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.9007031 -0.0000000 0.0000000 -0.0000000 6.9007031 0.0000000 0.0000000 0.0000000 5.4675818-------------------------- Born effective charges -------------------------- 1 Li 1.2284630 -0.0000000 0.0000000 0.0000000 1.2284630 0.0000000 0.0000000 0.0000000 1.6451960 2 S -2.8106545 0.0000000 0.0000000 -0.0000000 -2.8106545 0.0000000 0.0000000 0.0000000 -2.0324617 3 S -2.8106545 0.0000000 0.0000000 -0.0000000 -2.8106545 0.0000000 0.0000000 0.0000000 -2.0324617 4 Ho 4.3928461 -0.0000000 0.0000000 0.0000000 4.3928461 0.0000000 0.0000000 0.0000000 2.4197274----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 15 15 15 ]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: 0.97, Number of G-points: 299, Lambda: 0.26Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating 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 4.555 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( 20.912 12.073 5.086) 24.676 0.513 ( 21.048 12.152 7.138) 25.331 0.943 ( 39.601 22.863 2.470) 45.794 4.576 ( 1.842 1.064 -0.130) 2.131 4.710 ( 6.918 3.994 -0.424) 8.000 6.079 ( 2.034 1.174 2.048) 3.117 6.200 ( 2.225 1.285 1.361) 2.907 6.698 ( -0.826 -0.477 0.154) 0.966 6.749 ( 3.765 2.174 -1.825) 4.715 8.450 ( -3.466 -2.001 -15.615) 16.120 8.618 ( -5.973 -3.448 10.112) 12.240 10.182 ( -5.179 -2.990 4.963) 7.772======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 19.752 11.404 4.077) 23.169 1.023 ( 20.749 11.980 6.175) 24.742 1.831 ( 36.223 20.913 0.746) 41.834 4.644 ( 4.165 2.405 -0.022) 4.810 4.938 ( 12.414 7.167 1.166) 14.382 6.149 ( 2.621 1.513 3.933) 4.962 6.273 ( 3.049 1.760 3.389) 4.887 6.676 ( -0.853 -0.493 -0.714) 1.217 6.865 ( 6.704 3.871 -2.134) 8.030 8.252 ( -8.554 -4.939 -15.618) 18.479 8.473 ( -10.325 -5.961 15.874) 19.852 10.030 ( -7.955 -4.593 -5.455) 10.683======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 17.053 9.846 2.658) 19.870 1.506 ( 19.046 10.996 4.498) 22.448 2.604 ( 30.230 17.453 -1.089) 34.923 4.770 ( 6.664 3.848 0.190) 7.698 5.277 ( 15.888 9.173 2.629) 18.533 6.206 ( 0.395 0.228 5.476) 5.495 6.359 ( 3.374 1.948 2.638) 4.705 6.670 ( 1.298 0.749 -2.630) 3.026 7.026 ( 7.170 4.140 -1.042) 8.345 7.949 ( -13.631 -7.870 -6.839) 17.162 8.278 ( -10.083 -5.822 9.751) 15.187 9.776 ( -10.943 -6.318 -12.525) 17.792======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 12.427 7.175 1.008) 14.385 1.922 ( 15.511 8.956 2.457) 18.079 3.211 ( 22.667 13.087 -1.418) 26.212 4.944 ( 7.967 4.600 -0.005) 9.200 5.663 ( 15.786 9.114 2.650) 18.420 6.200 ( -2.387 -1.378 5.505) 6.156 6.450 ( 4.038 2.331 0.916) 4.751 6.724 ( 4.175 2.411 -3.571) 5.999 7.153 ( 3.090 1.784 -0.576) 3.614 7.605 ( -13.668 -7.891 -1.024) 15.816 8.098 ( -7.773 -4.488 6.640) 11.164 9.445 ( -12.406 -7.163 -17.774) 22.828======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 6.755 3.900 -0.441) 7.813 2.235 ( 10.958 6.327 0.813) 12.680 3.651 ( 15.814 9.130 0.461) 18.266 5.115 ( 6.474 3.738 -0.882) 7.527 5.974 ( 9.219 5.323 0.321) 10.651 6.161 ( -2.021 -1.167 4.405) 4.985 6.552 ( 4.698 2.713 -0.687) 5.468 6.820 ( 4.840 2.795 -2.964) 6.326 7.132 ( -3.680 -2.125 0.534) 4.282 7.371 ( -6.091 -3.517 -1.719) 7.241 7.970 ( -6.021 -3.476 7.762) 10.420 9.107 ( -10.018 -5.784 -18.819) 22.090======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( 2.244 1.296 -0.975) 2.769 2.436 ( 6.407 3.699 0.041) 7.398 3.956 ( 10.177 5.876 2.498) 12.014 5.222 ( 3.057 1.765 -1.484) 3.829 6.047 ( -1.973 -1.139 -2.513) 3.392 6.150 ( -0.194 -0.112 2.891) 2.900 6.674 ( 6.307 3.641 -1.490) 7.434 6.914 ( 3.766 2.174 -1.715) 4.675 7.109 ( 1.867 1.078 3.954) 4.503 7.246 ( -4.460 -2.575 -4.137) 6.606 7.835 ( -8.133 -4.695 3.980) 10.199 8.887 ( -3.708 -2.141 -12.075) 12.811======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( 0.304 0.176 -0.462) 0.580 2.534 ( 2.107 1.217 -0.057) 2.434 4.130 ( 3.793 2.190 1.601) 4.664 5.257 ( 0.674 0.389 -0.731) 1.068 5.961 ( -2.701 -1.559 -1.639) 3.523 6.161 ( 0.263 0.152 0.983) 1.029 6.799 ( 3.779 2.182 -1.052) 4.489 6.972 ( 1.449 0.836 -0.512) 1.750 7.142 ( -2.711 -1.565 -0.237) 3.140 7.216 ( 4.296 2.480 1.921) 5.320 7.647 ( -6.677 -3.855 -1.102) 7.789 8.825 ( -0.193 -0.111 -3.263) 3.271======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( -0.000 23.228 3.470) 23.486 0.515 ( -0.000 22.457 7.328) 23.623 0.999 ( -0.000 44.397 11.547) 45.874 4.584 ( -0.000 2.348 1.361) 2.714 4.703 ( -0.000 8.306 -1.511) 8.443 6.035 ( 0.000 0.623 -5.876) 5.909 6.183 ( -0.000 2.429 -1.097) 2.665 6.712 ( -0.000 -0.449 2.504) 2.544 6.746 ( -0.000 4.335 -1.972) 4.762 8.376 ( 0.000 -3.865 -20.841) 21.196 8.649 ( -0.000 -4.275 9.785) 10.678 10.254 ( -0.000 -8.443 14.973) 17.189======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 12.522 17.323 7.795) 22.752 0.903 ( 14.359 19.964 3.037) 24.778 1.641 ( 18.659 37.297 6.305) 42.179 4.629 ( 1.446 3.919 1.113) 4.323 4.862 ( 6.990 11.033 0.446) 13.069 6.074 ( 5.062 -0.982 -1.879) 5.488 6.252 ( 4.333 3.015 -0.476) 5.301 6.700 ( -1.838 -0.052 2.485) 3.091 6.814 ( 3.088 5.593 -3.007) 7.061 8.224 ( -2.993 -7.238 -17.918) 19.555 8.588 ( -4.836 -9.192 14.163) 17.563 10.126 ( -8.809 -5.454 3.044) 10.799======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 14.651 13.081 5.116) 20.297 1.372 ( 15.806 17.653 3.350) 23.930 2.353 ( 22.838 27.877 1.343) 36.062 4.728 ( 3.998 5.687 0.911) 7.011 5.157 ( 11.951 13.171 2.552) 17.967 6.151 ( 4.876 -1.944 2.348) 5.750 6.364 ( 3.955 4.509 -0.630) 6.031 6.674 ( -1.853 0.836 0.896) 2.221 6.939 ( 6.238 4.929 -2.933) 8.474 7.998 ( -6.703 -9.870 -12.410) 17.215 8.413 ( -8.909 -10.374 12.837) 18.756 9.879 ( -12.386 -5.805 -6.546) 15.165======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 13.018 9.067 2.264) 16.025 1.810 ( 13.652 15.776 2.310) 20.991 2.972 ( 21.110 18.805 -1.179) 28.296 4.885 ( 5.965 7.237 0.687) 9.403 5.536 ( 13.754 13.994 3.602) 19.950 6.207 ( 2.104 -1.787 3.900) 4.778 6.462 ( 1.430 5.674 -0.078) 5.852 6.680 ( 1.458 2.366 -2.058) 3.459 7.084 ( 6.306 2.447 -2.315) 7.150 7.710 ( -10.071 -11.266 -5.455) 16.066 8.201 ( -8.163 -8.541 8.939) 14.815 9.540 ( -14.410 -7.221 -13.692) 21.148======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 9.030 5.037 -0.090) 10.341 2.165 ( 9.539 13.530 0.856) 16.577 3.452 ( 17.520 11.121 -0.846) 20.769 5.067 ( 5.716 7.724 -0.079) 9.609 5.898 ( 10.255 11.981 2.223) 15.926 6.220 ( -1.296 0.760 4.344) 4.596 6.535 ( 1.185 5.422 -0.781) 5.605 6.754 ( 4.323 3.269 -3.414) 6.406 7.149 ( 0.424 -1.080 -2.331) 2.604 7.426 ( -7.627 -8.620 -1.723) 11.638 8.046 ( -4.896 -6.260 8.557) 11.678 9.160 ( -12.904 -7.720 -17.740) 23.255======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( 4.529 1.854 -1.458) 5.106 2.415 ( 4.949 11.026 0.070) 12.086 3.804 ( 13.638 5.307 0.622) 14.648 5.219 ( 2.870 7.601 -0.971) 8.182 6.089 ( -0.246 6.024 -0.968) 6.106 6.225 ( -2.932 4.604 4.174) 6.872 6.615 ( 3.477 4.471 -2.361) 6.137 6.846 ( 4.315 1.658 -3.226) 5.637 7.109 ( -0.080 -0.891 1.512) 1.757 7.279 ( -3.238 -2.978 -3.366) 5.539 7.931 ( -6.333 -6.216 7.343) 11.518 8.862 ( -5.147 -5.952 -14.782) 16.746======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 1.599 0.270 -1.509) 2.215 2.561 ( 0.637 8.545 0.111) 8.570 4.030 ( 8.693 0.229 0.117) 8.697 5.313 ( -0.892 8.764 -0.859) 8.851 6.032 ( -6.707 1.267 -1.701) 7.034 6.243 ( -3.553 7.242 2.699) 8.506 6.731 ( 5.577 3.124 -2.430) 6.839 6.901 ( 3.413 -2.199 -2.799) 4.931 7.175 ( 3.449 -0.145 6.393) 7.265 7.209 ( -1.927 4.470 -5.153) 7.088 7.734 ( -9.300 -6.987 1.779) 11.767 8.763 ( 2.441 -3.968 -5.749) 7.400======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( 0.555 -0.207 -0.737) 0.945 2.611 ( -3.561 6.214 0.515) 7.180 4.099 ( 2.117 -4.358 -2.807) 5.600 5.353 ( -4.798 8.787 -0.179) 10.014 5.972 ( -0.902 3.001 1.073) 3.312 6.251 ( -5.122 7.567 1.027) 9.195 6.808 ( 1.178 -0.697 -1.132) 1.776 6.917 ( 3.489 -3.903 0.160) 5.237 7.160 ( -2.250 1.507 -2.876) 3.950 7.280 ( -2.073 3.491 0.201) 4.065 7.593 ( 1.381 -1.815 3.590) 4.253 8.775 ( 3.947 -3.910 0.531) 5.581======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( -0.552 -1.062 -0.066) 1.199 2.565 ( -7.924 3.970 0.810) 8.899 4.004 ( -4.385 -7.202 -4.487) 9.552 5.322 ( -6.523 4.896 0.725) 8.188 6.059 ( 2.539 6.543 2.997) 7.631 6.224 ( -5.710 6.144 -0.634) 8.412 6.748 ( -4.908 -2.770 0.663) 5.675 6.929 ( 0.027 -2.713 2.132) 3.451 7.101 ( -1.248 -2.441 -6.882) 7.408 7.262 ( -1.585 3.686 4.431) 5.977 7.724 ( 7.968 2.567 -0.110) 8.372 8.837 ( 6.248 -2.508 7.495) 10.075======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( -3.853 -3.220 -0.287) 5.030 2.418 ( -12.630 1.527 0.553) 12.734 3.784 ( -10.086 -8.524 -2.810) 13.501 5.229 ( -8.019 0.811 0.865) 8.106 6.108 ( -6.674 2.858 2.315) 7.621 6.186 ( -3.537 4.508 -2.568) 6.280 6.630 ( -5.899 -0.608 0.391) 5.943 6.876 ( -3.493 -2.373 2.133) 4.731 7.082 ( 3.349 0.837 -2.988) 4.565 7.318 ( 2.764 0.862 3.189) 4.307 7.857 ( 6.654 1.328 -5.845) 8.956 9.027 ( 11.410 1.785 14.816) 18.785======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( -9.305 -5.877 -1.429) 11.098 2.159 ( -17.525 -1.191 -0.450) 17.571 3.457 ( -17.232 -9.219 0.056) 19.543 5.069 ( -9.818 -1.576 0.182) 9.946 5.886 ( -17.381 -3.128 0.022) 17.660 6.175 ( -0.675 2.134 -3.794) 4.405 6.534 ( -5.853 1.566 -0.923) 6.129 6.789 ( -4.623 -2.234 2.824) 5.859 7.161 ( 1.327 0.063 -0.231) 1.349 7.433 ( 11.240 2.543 -0.620) 11.541 7.972 ( 7.862 1.708 -4.775) 9.356 9.346 ( 13.857 4.714 15.677) 21.448======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( -15.092 -7.362 -2.641) 16.998 1.789 ( -21.749 -3.236 -1.587) 22.045 2.986 ( -26.944 -9.286 1.336) 28.531 4.880 ( -9.313 -1.887 -0.120) 9.503 5.509 ( -19.717 -4.668 -1.221) 20.299 6.161 ( 0.027 -1.381 -4.239) 4.458 6.450 ( -6.006 2.924 -2.098) 7.002 6.708 ( -3.217 -1.555 2.869) 4.583 7.095 ( -4.981 -3.480 -0.248) 6.081 7.745 ( 17.904 5.087 0.624) 18.623 8.129 ( 9.170 2.395 -3.797) 10.209 9.680 ( 12.640 4.767 11.486) 17.732======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -19.828 -6.222 -2.798) 20.969 1.345 ( -24.372 -3.212 -1.766) 24.646 2.350 ( -36.771 -7.281 0.769) 37.493 4.723 ( -6.868 -1.027 0.025) 6.944 5.139 ( -17.192 -3.205 -0.779) 17.505 6.118 ( -0.599 -2.722 -3.250) 4.281 6.359 ( -6.468 1.673 -1.782) 6.914 6.677 ( -0.431 -0.187 1.327) 1.408 6.958 ( -6.752 -2.376 0.358) 7.167 8.109 ( 17.267 3.028 5.139) 18.268 8.293 ( 8.881 1.939 -6.364) 11.096 9.946 ( 9.616 2.952 5.467) 11.449======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( -22.807 -0.000 0.000) 22.807 0.888 ( -25.407 -0.000 0.000) 25.407 1.604 ( -43.594 -0.000 0.000) 43.594 4.623 ( -4.136 -0.000 0.000) 4.136 4.860 ( -12.603 -0.000 0.000) 12.603 6.081 ( -0.896 -0.000 0.000) 0.896 6.257 ( -5.257 -0.000 0.000) 5.257 6.685 ( 0.849 0.000 -0.000) 0.849 6.832 ( -6.227 -0.000 0.000) 6.227 8.412 ( 5.952 0.000 -0.000) 5.952 8.422 ( 14.230 0.000 -0.000) 14.230 10.108 ( 6.210 0.000 -0.000) 6.210======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( -0.000 23.271 2.579) 23.414 0.995 ( -0.000 20.393 5.778) 21.196 1.921 ( -0.000 40.056 7.408) 40.735 4.669 ( -0.000 4.742 2.256) 5.251 4.930 ( -0.000 14.652 0.417) 14.658 5.996 ( 0.000 1.138 -8.808) 8.881 6.239 ( -0.000 2.994 1.189) 3.221 6.730 ( -0.000 0.103 3.504) 3.505 6.840 ( 0.000 6.715 -3.699) 7.667 8.099 ( 0.000 -9.683 -16.729) 19.329 8.572 ( -0.000 -11.754 12.859) 17.422 10.167 ( -0.000 -7.459 4.962) 8.959======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 6.665 16.974 5.703) 19.106 1.335 ( 11.101 21.306 1.499) 24.071 2.404 ( 8.908 33.841 3.251) 35.145 4.746 ( 1.835 6.434 2.033) 6.993 5.153 ( 6.525 16.972 2.069) 18.301 6.039 ( 6.069 0.368 -4.794) 7.742 6.310 ( 4.012 3.199 -0.694) 5.178 6.733 ( -1.641 1.226 2.983) 3.618 6.910 ( 2.112 6.207 -4.226) 7.801 7.915 ( -2.290 -11.955 -13.146) 17.916 8.451 ( -4.182 -13.591 11.309) 18.169 10.012 ( -9.907 -6.945 -0.149) 12.100======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 9.106 12.029 3.332) 15.450 1.762 ( 12.991 19.231 1.495) 23.256 2.890 ( 12.332 24.103 -0.536) 27.080 4.880 ( 4.264 8.357 1.638) 9.524 5.493 ( 10.689 17.948 3.176) 21.130 6.144 ( 5.405 0.496 1.087) 5.536 6.427 ( 6.218 3.698 -3.716) 8.133 6.727 ( -2.204 3.215 1.452) 4.160 7.000 ( 4.239 3.344 -4.274) 6.886 7.686 ( -4.802 -13.304 -8.247) 16.373 8.258 ( -6.316 -12.529 8.757) 16.539 9.702 ( -15.822 -7.082 -6.516) 18.519======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 8.156 7.226 0.562) 10.911 2.157 ( 10.316 17.544 0.699) 20.364 3.301 ( 13.218 14.305 -1.299) 19.520 5.062 ( 5.326 9.538 0.985) 10.969 5.870 ( 10.371 16.523 2.135) 19.624 6.233 ( 2.549 2.089 3.594) 4.876 6.555 ( 4.311 5.058 -3.728) 7.620 6.748 ( -0.160 5.588 -1.064) 5.691 7.075 ( 4.331 -1.165 -4.653) 6.462 7.434 ( -6.084 -12.267 -3.641) 14.168 8.078 ( -4.429 -9.482 7.806) 13.056 9.296 ( -17.715 -7.785 -11.724) 22.625======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 5.436 3.226 -1.497) 6.496 2.465 ( 5.608 15.882 -0.147) 16.843 3.628 ( 12.719 6.572 -0.032) 14.317 5.248 ( 4.227 10.172 0.084) 11.016 6.150 ( 3.640 12.055 -0.558) 12.605 6.313 ( 1.032 5.147 4.317) 6.796 6.636 ( 0.333 5.865 -3.998) 7.106 6.807 ( 1.053 4.268 -3.170) 5.420 7.074 ( 1.348 -4.867 -2.091) 5.465 7.264 ( -0.947 -4.759 -2.805) 5.605 7.971 ( -2.770 -7.600 8.717) 11.892 8.891 ( -12.973 -7.659 -13.146) 19.995======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 2.831 0.840 -2.199) 3.682 2.668 ( 0.731 14.036 -0.073) 14.055 3.865 ( 10.067 0.605 0.078) 10.086 5.413 ( 2.063 12.215 -0.296) 12.391 6.194 ( -7.922 5.558 -2.444) 9.981 6.395 ( -1.291 8.640 4.188) 9.688 6.681 ( 2.138 4.219 -4.901) 6.811 6.831 ( 0.773 -0.370 -3.785) 3.881 7.098 ( 6.136 -2.573 4.451) 8.005 7.251 ( 0.337 3.742 -5.001) 6.255 7.829 ( -8.304 -8.026 4.783) 12.500 8.659 ( -0.815 -6.395 -7.048) 9.552======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( 1.399 -0.027 -1.700) 2.202 2.774 ( -3.788 12.078 0.798) 12.683 3.977 ( 5.193 -4.203 -2.217) 7.039 5.550 ( -2.906 14.495 -0.714) 14.801 6.069 ( -6.933 3.162 -0.554) 7.640 6.455 ( -5.274 10.747 2.276) 12.186 6.751 ( 3.656 1.176 -3.287) 5.055 6.821 ( 2.512 -3.222 -0.884) 4.181 7.192 ( 0.576 0.053 0.826) 1.008 7.315 ( 3.551 6.682 -2.595) 7.999 7.610 ( -6.995 -6.690 3.704) 10.363 8.634 ( 5.273 -6.604 -0.995) 8.509======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 0.409 -0.528 -0.871) 1.097 2.784 ( -8.289 9.903 1.716) 13.027 3.948 ( -0.104 -7.199 -4.628) 8.559 5.544 ( -10.476 9.170 -0.946) 13.954 6.103 ( 2.703 8.900 2.027) 9.520 6.429 ( -8.408 7.383 -0.018) 11.190 6.785 ( -0.460 1.098 0.186) 1.205 6.868 ( 4.807 -2.339 2.700) 5.989 7.108 ( -5.771 -2.216 -5.558) 8.313 7.367 ( -3.904 3.747 0.777) 5.467 7.608 ( 7.410 -0.469 3.709) 8.300 8.682 ( 8.055 -6.342 3.221) 10.746======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( -1.933 -1.654 -0.574) 2.608 2.692 ( -13.051 6.965 1.854) 14.909 3.812 ( -4.518 -7.910 -4.370) 10.103 5.416 ( -10.765 3.638 0.092) 11.363 6.250 ( -1.034 9.837 1.519) 10.007 6.337 ( -7.826 3.794 -0.305) 8.703 6.751 ( -5.968 3.174 1.653) 6.959 6.916 ( -1.127 -0.102 2.831) 3.049 7.001 ( 1.886 -3.206 -3.950) 5.425 7.333 ( -2.546 0.142 1.934) 3.200 7.731 ( 6.334 -0.472 -3.064) 7.052 8.847 ( 13.835 -2.368 8.856) 16.597======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( -6.463 -2.976 -0.943) 7.178 2.480 ( -17.776 3.183 0.926) 18.082 3.608 ( -9.606 -6.574 -1.780) 11.775 5.248 ( -11.159 0.556 0.110) 11.173 6.180 ( -15.212 2.561 1.339) 15.484 6.243 ( -5.406 1.769 -1.127) 5.799 6.675 ( -7.274 4.208 -0.489) 8.418 6.868 ( -4.743 0.746 1.869) 5.152 7.085 ( 7.791 0.161 -0.749) 7.828 7.305 ( 2.366 -2.981 -0.145) 3.808 7.829 ( 7.628 -0.044 -3.459) 8.376 9.156 ( 17.069 1.368 10.037) 19.848======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -12.097 -2.931 -1.149) 12.500 2.153 ( -21.651 0.231 -0.071) 21.652 3.318 ( -17.960 -3.999 0.149) 18.400 5.049 ( -11.343 -0.451 -0.089) 11.353 5.849 ( -22.044 -0.863 0.216) 22.061 6.174 ( -3.240 0.095 -1.349) 3.511 6.586 ( -6.651 2.915 -1.179) 7.357 6.779 ( -5.657 -0.419 1.606) 5.896 7.124 ( -1.517 -2.294 -0.342) 2.771 7.472 ( 16.419 1.491 -0.616) 16.498 7.973 ( 9.332 0.601 -1.380) 9.452 9.498 ( 16.101 1.889 6.091) 17.318======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -17.067 -0.000 0.000) 17.067 1.752 ( -24.008 -0.000 0.000) 24.008 2.893 ( -28.586 -0.000 0.000) 28.586 4.861 ( -9.632 -0.000 0.000) 9.632 5.459 ( -21.229 -0.000 0.000) 21.229 6.124 ( -2.052 -0.000 0.000) 2.052 6.483 ( -6.810 -0.000 0.000) 6.810 6.704 ( -2.789 -0.000 0.000) 2.789 7.050 ( -5.030 -0.000 0.000) 5.030 7.802 ( 19.504 0.000 -0.000) 19.504 8.138 ( 9.258 0.000 -0.000) 9.258 9.775 ( 13.057 0.000 -0.000) 13.057======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -0.000 16.816 3.315) 17.140 1.457 ( -0.000 22.464 1.861) 22.541 2.681 ( -0.000 31.665 1.710) 31.711 4.803 ( -0.000 6.896 2.151) 7.224 5.293 ( -0.000 20.174 3.199) 20.426 5.964 ( 0.000 1.967 -7.453) 7.709 6.313 ( -0.000 3.416 1.076) 3.582 6.768 ( -0.000 1.403 2.526) 2.890 6.941 ( 0.000 6.160 -5.314) 8.135 7.759 ( 0.000 -13.625 -10.931) 17.468 8.378 ( -0.000 -15.088 8.928) 17.532 10.028 ( 0.000 -8.333 0.391) 8.342======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 3.415 13.359 2.311) 13.981 1.769 ( 8.995 20.639 1.198) 22.545 3.003 ( 3.731 24.580 -1.230) 24.892 4.908 ( 2.790 8.133 1.705) 8.766 5.563 ( 5.015 21.242 3.898) 22.172 6.037 ( 7.346 2.777 -3.159) 8.465 6.370 ( 2.541 3.373 -0.847) 4.307 6.786 ( -0.748 2.255 1.420) 2.768 6.981 ( 0.753 4.137 -6.058) 7.374 7.570 ( -1.619 -14.212 -7.554) 16.176 8.229 ( -2.833 -14.342 6.550) 16.020 9.847 ( -10.339 -8.593 -2.635) 13.699======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 4.955 8.679 0.299) 9.999 2.153 ( 11.238 18.636 0.792) 21.776 3.282 ( 5.927 15.858 -2.215) 17.074 5.072 ( 5.069 9.265 1.235) 10.633 5.893 ( 7.800 18.546 1.958) 20.214 6.207 ( 6.207 4.832 2.862) 8.370 6.475 ( 6.596 4.243 -3.796) 8.713 6.809 ( 0.019 4.044 0.021) 4.044 6.994 ( 0.876 -0.287 -6.941) 7.002 7.370 ( -3.119 -12.549 -4.201) 13.597 8.064 ( -3.153 -11.360 5.725) 13.106 9.497 ( -17.334 -8.709 -6.388) 20.423======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 4.485 4.402 -1.765) 6.527 2.512 ( 8.675 17.400 0.035) 19.442 3.516 ( 8.049 7.938 -0.691) 11.326 5.267 ( 5.627 10.012 0.646) 11.503 6.190 ( 6.678 13.771 -0.377) 15.310 6.342 ( 2.636 5.308 3.544) 6.905 6.628 ( 5.168 5.665 -4.041) 8.668 6.875 ( -0.970 7.929 -2.873) 8.489 6.952 ( 3.010 -7.048 -5.672) 9.534 7.211 ( -1.272 -6.646 -1.852) 7.015 7.950 ( -1.309 -8.391 7.120) 11.082 9.057 ( -18.942 -8.544 -8.704) 22.530======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 3.209 1.530 -2.725) 4.479 2.790 ( 3.656 16.469 -0.398) 16.875 3.712 ( 8.615 1.554 0.716) 8.783 5.471 ( 5.290 11.859 0.305) 12.989 6.355 ( -1.903 8.705 -2.831) 9.350 6.450 ( 3.115 4.673 2.836) 6.292 6.697 ( -0.881 3.452 -4.489) 5.731 6.849 ( -0.138 0.833 -4.489) 4.567 6.973 ( 2.668 -1.213 0.171) 2.936 7.226 ( 4.841 3.014 -3.205) 6.542 7.871 ( -3.142 -7.965 6.969) 11.040 8.666 ( -11.517 -7.374 -6.784) 15.266======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 2.162 0.277 -2.363) 3.215 2.966 ( -1.569 15.233 0.408) 15.319 3.834 ( 6.068 -3.475 -0.400) 7.004 5.692 ( 3.993 15.245 -0.002) 15.759 6.267 ( -11.438 3.472 -2.916) 12.304 6.550 ( 3.488 1.521 0.176) 3.809 6.732 ( 2.172 3.933 0.721) 4.550 6.809 ( -4.650 2.762 -4.263) 6.886 7.090 ( 10.275 -0.607 2.342) 10.556 7.325 ( 1.416 6.571 -5.187) 8.491 7.700 ( -8.607 -7.565 4.014) 12.141 8.496 ( 0.741 -6.936 -1.217) 7.081======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 1.346 -0.106 -1.372) 1.925 3.043 ( -6.661 13.365 1.933) 15.057 3.845 ( 2.069 -6.844 -3.011) 7.758 5.830 ( -8.846 12.646 -1.756) 15.533 6.158 ( -0.348 6.479 0.272) 6.494 6.574 ( -2.135 -0.319 -1.714) 2.756 6.748 ( 2.571 -4.275 -0.619) 5.027 6.850 ( 0.542 9.611 2.850) 10.039 7.192 ( -3.798 0.910 -1.506) 4.185 7.401 ( 5.751 3.265 -3.268) 7.377 7.541 ( -3.299 -3.231 5.124) 6.898 8.487 ( 6.110 -7.673 1.107) 9.871======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( -0.201 -0.492 -0.615) 0.813 3.007 ( -12.167 9.764 2.574) 15.811 3.765 ( -0.903 -7.284 -4.078) 8.397 5.673 ( -14.214 4.220 -0.781) 14.848 6.338 ( 4.523 12.565 0.504) 13.364 6.479 ( -6.413 -0.226 -1.585) 6.610 6.775 ( 5.066 -5.759 1.626) 7.841 6.959 ( 0.016 7.174 3.249) 7.875 7.051 ( -9.860 2.166 -1.134) 10.159 7.401 ( -4.973 -1.109 -1.507) 5.313 7.603 ( 6.968 -1.448 0.641) 7.146 8.590 ( 13.094 -4.864 3.535) 14.408======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( -3.363 -0.814 -0.342) 3.476 2.828 ( -17.131 4.096 1.289) 17.661 3.657 ( -3.571 -4.098 -2.055) 5.811 5.464 ( -12.695 1.129 -0.057) 12.745 6.357 ( -6.698 0.373 -0.866) 6.764 6.433 ( -7.543 5.397 0.934) 9.322 6.826 ( -0.906 1.015 1.257) 1.853 6.905 ( 2.124 -2.196 -1.349) 3.339 7.039 ( -5.610 8.329 3.324) 10.578 7.267 ( -3.076 -6.575 -1.998) 7.529 7.693 ( 6.186 -0.680 -1.510) 6.404 8.866 ( 18.990 -0.776 3.994) 19.421======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( -7.805 -0.000 0.000) 7.805 2.522 ( -20.132 -0.000 0.000) 20.132 3.529 ( -9.116 -0.000 0.000) 9.116 5.253 ( -12.148 -0.000 0.000) 12.148 6.214 ( -18.778 -0.000 0.000) 18.778 6.251 ( -5.478 -0.000 0.000) 5.478 6.720 ( -7.318 -0.000 0.000) 7.318 6.920 ( -9.839 -0.000 0.000) 9.839 7.065 ( 8.444 0.000 -0.000) 8.444 7.257 ( 6.660 0.000 -0.000) 6.660 7.816 ( 8.474 0.000 -0.000) 8.474 9.209 ( 19.043 0.000 -0.000) 19.043======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -0.000 11.777 0.182) 11.778 1.896 ( -0.000 19.805 1.538) 19.865 3.196 ( -0.000 20.197 -3.092) 20.433 4.966 ( -0.000 8.018 0.819) 8.060 5.767 ( -0.000 22.650 5.809) 23.383 5.981 ( 0.000 3.828 -2.788) 4.736 6.386 ( -0.000 3.471 -0.295) 3.484 6.817 ( -0.000 2.161 0.352) 2.190 6.986 ( 0.000 2.096 -7.190) 7.489 7.421 ( 0.000 -12.873 -5.252) 13.903 8.130 ( 0.000 -13.503 4.378) 14.195 9.836 ( 0.000 -10.060 -2.732) 10.425======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 1.583 8.239 -1.188) 8.473 2.164 ( 8.003 17.551 1.129) 19.322 3.366 ( 1.332 13.805 -3.807) 14.382 5.082 ( 3.758 8.189 0.178) 9.012 5.988 ( 1.882 14.674 2.340) 14.978 6.143 ( 9.120 9.834 3.251) 13.800 6.432 ( 1.997 3.798 -1.538) 4.558 6.832 ( -0.257 1.560 -0.836) 1.788 6.960 ( 0.096 -1.914 -8.155) 8.377 7.289 ( -1.501 -7.351 -2.897) 8.042 8.009 ( -1.345 -10.457 3.713) 11.178 9.627 ( -10.166 -10.765 -4.569) 15.496======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 2.474 4.433 -2.543) 5.677 2.506 ( 11.020 15.768 0.535) 19.245 3.497 ( 3.047 7.581 -2.229) 8.469 5.255 ( 6.334 8.393 -0.068) 10.515 6.190 ( 6.577 9.605 0.969) 11.681 6.358 ( 3.294 5.380 2.286) 6.710 6.565 ( 7.695 7.086 -1.309) 10.542 6.823 ( 1.121 -5.234 -5.571) 7.725 6.924 ( 1.264 2.362 -4.606) 5.329 7.202 ( -3.528 -0.237 -1.207) 3.736 7.915 ( -1.148 -6.831 4.865) 8.464 9.258 ( -16.870 -10.669 -6.128) 20.880======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( 2.648 1.695 -3.206) 4.491 2.841 ( 9.059 15.081 -0.355) 17.596 3.612 ( 5.018 1.995 0.333) 5.410 5.467 ( 7.730 9.634 0.053) 12.352 6.366 ( 4.913 2.191 -3.291) 6.307 6.455 ( 3.222 4.962 3.616) 6.934 6.728 ( 3.730 -4.827 -5.185) 8.006 6.735 ( 0.381 3.331 -3.448) 4.809 7.048 ( 3.157 9.886 -3.120) 10.837 7.153 ( -0.416 1.375 -0.067) 1.438 7.858 ( -1.478 -5.331 5.887) 8.078 8.827 ( -17.231 -9.140 -5.548) 20.279======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 2.505 0.400 -2.708) 3.711 3.104 ( 3.999 14.856 -0.597) 15.396 3.702 ( 5.140 -3.133 1.232) 6.144 5.721 ( 8.618 12.559 0.306) 15.234 6.401 ( 1.195 -1.604 -4.139) 4.597 6.497 ( -2.653 -1.091 -1.933) 3.459 6.741 ( 4.231 1.408 5.676) 7.218 6.824 ( 4.530 1.953 -4.168) 6.459 7.039 ( -5.938 6.912 -3.924) 9.922 7.310 ( 7.616 6.585 -2.670) 10.416 7.759 ( -5.503 -7.379 4.619) 10.299 8.498 ( -9.016 -6.150 -1.750) 11.054======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 2.168 0.048 -1.540) 2.660 3.269 ( -1.945 14.115 0.796) 14.270 3.722 ( 2.955 -7.297 -0.590) 7.895 6.001 ( 5.961 15.079 -0.365) 16.218 6.290 ( -9.956 0.909 -2.120) 10.220 6.483 ( 5.854 -5.980 -0.613) 8.391 6.732 ( -4.939 -1.690 -1.411) 5.407 6.950 ( 1.796 6.981 3.856) 8.175 7.096 ( 10.494 0.901 -2.632) 10.856 7.420 ( -2.688 6.122 -4.705) 8.176 7.601 ( -4.338 -5.118 4.250) 7.941 8.366 ( -0.426 -5.579 0.758) 5.646======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 1.295 -0.052 -0.524) 1.398 3.305 ( -9.264 9.660 2.100) 13.548 3.674 ( 1.699 -7.023 -2.397) 7.613 5.976 ( -16.149 3.219 -0.933) 16.493 6.349 ( 7.723 11.518 -0.599) 13.880 6.522 ( 2.904 -4.273 0.455) 5.187 6.626 ( -0.514 -5.820 -0.907) 5.912 7.022 ( -0.534 3.513 1.122) 3.726 7.256 ( -2.988 5.342 3.303) 6.956 7.380 ( 4.233 -2.425 -4.580) 6.692 7.538 ( -2.602 -0.402 1.769) 3.172 8.370 ( 6.807 -3.877 0.859) 7.881======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -0.551 -0.000 0.000) 0.551 3.139 ( -15.011 -0.000 0.000) 15.011 3.655 ( 0.302 0.000 -0.000) 0.302 5.710 ( -15.079 -0.000 0.000) 15.079 6.464 ( -5.394 -0.000 0.000) 5.394 6.533 ( 0.949 0.000 -0.000) 0.949 6.659 ( 10.133 0.000 -0.000) 10.133 6.990 ( -5.295 -0.000 0.000) 5.295 7.218 ( -3.287 -0.000 0.000) 3.287 7.304 ( -9.146 -0.000 0.000) 9.146 7.587 ( 5.776 0.000 -0.000) 5.776 8.553 ( 15.804 0.000 -0.000) 15.804======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -0.000 5.927 -2.821) 6.564 2.259 ( -0.000 15.054 1.335) 15.113 3.459 ( 0.000 9.537 -4.658) 10.614 5.122 ( -0.000 7.218 -0.823) 7.265 6.084 ( -0.000 6.619 2.398) 7.040 6.196 ( -0.000 12.758 4.929) 13.677 6.450 ( -0.000 3.881 -1.111) 4.037 6.848 ( 0.000 1.291 -1.950) 2.338 6.874 ( 0.000 -7.128 -8.720) 11.263 7.273 ( -0.000 2.675 -1.066) 2.880 7.942 ( 0.000 -7.013 3.127) 7.679 9.581 ( 0.000 -12.634 -5.022) 13.596======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 0.776 3.087 -3.565) 4.779 2.475 ( 8.183 12.489 0.959) 14.962 3.523 ( 0.775 5.247 -3.596) 6.408 5.227 ( 4.620 6.429 -1.089) 7.992 6.189 ( 2.702 6.393 3.312) 7.690 6.338 ( 4.680 2.866 1.743) 5.758 6.519 ( 3.962 5.017 0.131) 6.394 6.751 ( -1.356 -6.057 -8.099) 10.204 6.874 ( 2.616 -0.186 -3.590) 4.446 7.312 ( -2.951 9.051 0.509) 9.534 7.901 ( -0.905 -1.932 4.063) 4.590 9.346 ( -9.175 -13.493 -5.873) 17.341======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 1.660 1.069 -3.488) 4.008 2.779 ( 12.289 10.848 0.262) 16.394 3.572 ( 2.048 1.695 -1.203) 2.918 5.402 ( 8.463 6.448 -0.819) 10.671 6.274 ( 3.231 -2.240 -0.507) 3.964 6.450 ( 4.083 4.279 3.191) 6.720 6.631 ( 0.475 -3.383 -7.023) 7.810 6.703 ( 6.276 3.918 -1.591) 7.567 6.940 ( 7.608 0.237 -1.871) 7.838 7.329 ( -6.577 9.399 0.413) 11.479 7.892 ( -2.928 2.035 4.812) 5.989 8.982 ( -14.177 -12.410 -5.494) 19.626======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 2.335 0.201 -2.542) 3.458 3.094 ( 11.398 10.031 -0.639) 15.197 3.614 ( 2.547 -1.708 0.889) 3.193 5.647 ( 11.729 7.960 -0.119) 14.175 6.277 ( 3.449 -6.026 -2.273) 7.306 6.528 ( -1.896 -1.160 -2.389) 3.264 6.619 ( 7.188 0.971 0.789) 7.297 6.825 ( 2.223 4.076 -1.716) 4.950 7.154 ( 14.227 2.797 -0.682) 14.516 7.267 ( -10.011 7.278 -0.878) 12.408 7.832 ( -7.574 -0.626 3.234) 8.259 8.622 ( -12.309 -7.655 -2.643) 14.734======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 2.587 0.017 -1.139) 2.827 3.355 ( 7.445 9.631 -0.772) 12.197 3.615 ( 0.738 -5.569 1.098) 5.724 5.958 ( 13.277 9.673 0.258) 16.429 6.275 ( 4.642 -7.004 -1.228) 8.492 6.446 ( -4.755 -1.018 -1.918) 5.228 6.807 ( 10.527 0.085 5.516) 11.885 6.841 ( -2.619 1.935 -3.774) 4.985 7.139 ( -9.072 4.145 -2.201) 10.215 7.414 ( 10.483 4.428 -1.790) 11.520 7.657 ( -8.993 -4.538 2.231) 10.317 8.402 ( -7.233 -2.619 0.047) 7.692======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 2.265 0.000 -0.000) 2.265 3.514 ( -6.101 -0.000 0.000) 6.101 3.549 ( 6.103 0.000 -0.000) 6.103 6.237 ( -8.113 -0.000 0.000) 8.113 6.267 ( 12.716 0.000 -0.000) 12.716 6.362 ( 1.447 0.000 -0.000) 1.447 6.704 ( -8.513 -0.000 0.000) 8.513 7.063 ( -2.217 -0.000 0.000) 2.217 7.073 ( 16.180 0.000 -0.000) 16.180 7.475 ( -8.804 -0.000 0.000) 8.804 7.561 ( 2.417 0.000 -0.000) 2.417 8.307 ( -1.605 -0.000 0.000) 1.605======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 0.000 1.236 -3.948) 4.137 2.510 ( -0.000 9.113 0.957) 9.163 3.541 ( 0.000 2.502 -3.462) 4.272 5.235 ( -0.000 4.732 -1.268) 4.899 6.268 ( -0.000 8.376 5.228) 9.874 6.280 ( 0.000 -3.575 0.733) 3.649 6.526 ( -0.000 3.076 -0.351) 3.096 6.677 ( 0.000 -4.725 -8.157) 9.427 6.830 ( 0.000 -1.181 -3.677) 3.862 7.441 ( -0.000 8.898 1.383) 9.005 7.950 ( -0.000 6.932 5.132) 8.625 9.255 ( 0.000 -15.656 -6.418) 16.920======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 0.792 0.135 -3.162) 3.263 2.671 ( 8.982 6.429 0.552) 11.060 3.554 ( 0.924 0.673 -1.945) 2.256 5.320 ( 5.560 3.539 -0.983) 6.664 6.225 ( -0.459 -3.539 0.352) 3.586 6.428 ( 4.767 5.460 3.893) 8.228 6.574 ( 1.742 0.620 -5.047) 5.375 6.625 ( 3.258 -0.283 -0.954) 3.407 6.825 ( 3.307 -2.339 -3.643) 5.448 7.486 ( -2.749 4.501 0.859) 5.343 8.051 ( -3.827 13.020 5.752) 14.740 9.006 ( -7.035 -15.535 -6.173) 18.137======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 1.777 -0.066 -1.632) 2.414 2.932 ( 13.949 4.024 0.034) 14.518 3.574 ( 1.530 -0.292 -0.294) 1.585 5.493 ( 10.988 2.751 -0.436) 11.335 6.192 ( 0.503 -3.044 -0.512) 3.127 6.532 ( -0.723 -0.974 -0.756) 1.429 6.543 ( 3.364 1.548 -0.834) 3.796 6.789 ( 5.963 3.997 -0.009) 7.179 6.908 ( 12.680 -2.012 -1.020) 12.879 7.452 ( -5.315 2.373 0.242) 5.826 8.055 ( -11.385 7.848 3.140) 14.180 8.711 ( -8.612 -9.189 -3.303) 13.019======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 2.448 0.000 -0.000) 2.448 3.201 ( 13.680 0.000 -0.000) 13.680 3.591 ( 0.572 0.000 -0.000) 0.572 5.742 ( 15.276 0.000 -0.000) 15.276 6.187 ( 1.437 0.000 -0.000) 1.437 6.492 ( -2.166 -0.000 0.000) 2.166 6.647 ( 7.339 0.000 -0.000) 7.339 6.862 ( 1.669 0.000 -0.000) 1.669 7.180 ( 16.593 0.000 -0.000) 16.593 7.341 ( -9.558 -0.000 0.000) 9.558 7.850 ( -14.327 -0.000 0.000) 14.327 8.524 ( -8.064 -0.000 0.000) 8.064======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 0.000 -0.240 -1.881) 1.896 2.636 ( -0.000 3.008 0.351) 3.028 3.542 ( 0.000 0.019 -1.222) 1.222 5.292 ( -0.000 1.612 -0.536) 1.698 6.197 ( 0.000 -2.885 -0.163) 2.889 6.459 ( -0.000 5.713 4.085) 7.023 6.553 ( 0.000 1.020 -4.181) 4.304 6.583 ( 0.000 -1.451 0.674) 1.600 6.755 ( 0.000 -2.774 -3.347) 4.347 7.535 ( -0.000 1.088 0.447) 1.177 8.269 ( -0.000 15.626 5.735) 16.645 8.882 ( 0.000 -15.084 -5.756) 16.145======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 0.954 0.000 -0.000) 0.954 2.738 ( 9.445 0.000 -0.000) 9.445 3.549 ( 1.037 0.000 -0.000) 1.037 5.352 ( 6.074 0.000 -0.000) 6.074 6.178 ( -0.320 -0.000 0.000) 0.320 6.510 ( 1.428 0.000 -0.000) 1.428 6.540 ( -0.816 -0.000 0.000) 0.816 6.666 ( 9.569 0.000 -0.000) 9.569 6.757 ( 2.708 0.000 -0.000) 2.708 7.523 ( -2.098 -0.000 0.000) 2.098 8.306 ( -8.265 -0.000 0.000) 8.265 8.743 ( -3.610 -0.000 0.000) 3.610======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.249 ( -0.000 0.000 22.224) 22.224 0.249 ( -0.000 0.000 22.224) 22.224 0.434 ( -0.000 0.000 39.038) 39.038 4.562 ( -0.000 0.000 1.229) 1.229 4.562 ( -0.000 0.000 1.229) 1.229 6.028 ( 0.000 -0.000 -4.074) 4.074 6.028 ( 0.000 -0.000 -4.074) 4.074 6.725 ( -0.000 0.000 2.899) 2.899 6.725 ( -0.000 0.000 2.899) 2.899 8.191 ( 0.000 -0.000 -12.371) 12.371 8.589 ( -0.000 0.000 9.807) 9.807 10.789 ( -0.000 0.000 0.264) 0.264======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 17.918 10.345 11.584) 23.712 0.631 ( 18.018 10.403 13.431) 24.764 1.052 ( 32.607 18.826 16.218) 40.996 4.581 ( 1.620 0.935 1.010) 2.125 4.704 ( 8.280 4.781 0.065) 9.562 6.078 ( 3.611 2.085 -2.310) 4.767 6.184 ( 7.015 4.050 -5.211) 9.632 6.716 ( -1.419 -0.819 3.046) 3.459 6.728 ( 2.115 1.221 -0.436) 2.480 8.226 ( -0.724 -0.418 -21.214) 21.231 8.723 ( 0.325 0.188 8.505) 8.513 10.310 ( -18.179 -10.495 13.797) 25.119======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 17.976 10.378 6.568) 21.771 1.107 ( 19.085 11.019 8.763) 23.716 1.867 ( 33.222 19.181 5.453) 38.747 4.649 ( 4.061 2.345 0.933) 4.782 4.959 ( 13.217 7.631 2.914) 15.537 6.167 ( 4.271 2.466 -0.593) 4.967 6.302 ( 4.010 2.315 1.170) 4.775 6.683 ( -2.145 -1.238 2.031) 3.203 6.829 ( 7.007 4.045 -3.794) 8.936 8.074 ( -5.772 -3.333 -16.465) 17.763 8.638 ( -10.107 -5.836 13.979) 18.211 9.984 ( -13.495 -7.792 -2.774) 15.828======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 15.863 9.158 2.586) 18.498 1.562 ( 17.686 10.211 5.442) 21.135 2.600 ( 28.832 16.646 0.278) 33.293 4.776 ( 6.521 3.765 0.829) 7.575 5.320 ( 16.116 9.305 5.202) 19.322 6.249 ( 1.938 1.119 1.903) 2.937 6.383 ( 2.806 1.620 1.629) 3.627 6.650 ( -0.297 -0.172 -0.787) 0.859 7.000 ( 8.100 4.677 -3.610) 10.026 7.849 ( -9.334 -5.389 -10.634) 15.141 8.408 ( -12.841 -7.414 13.074) 19.768 9.635 ( -14.293 -8.252 -12.829) 20.904======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 11.676 6.741 -0.484) 13.491 1.951 ( 14.453 8.345 2.798) 16.922 3.195 ( 22.801 13.164 -1.480) 26.369 4.945 ( 7.558 4.364 0.213) 8.730 5.708 ( 14.787 8.537 5.426) 17.916 6.255 ( -2.104 -1.215 4.334) 4.969 6.454 ( 3.270 1.888 -0.199) 3.781 6.684 ( 3.883 2.242 -3.546) 5.716 7.132 ( 3.406 1.967 -3.369) 5.179 7.575 ( -11.232 -6.485 -4.265) 13.653 8.195 ( -8.635 -4.986 10.804) 14.702 9.242 ( -14.078 -8.128 -18.849) 24.891======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( 6.538 3.775 -2.329) 7.901 2.246 ( 10.359 5.981 1.201) 12.022 3.647 ( 16.803 9.701 -1.079) 19.432 5.105 ( 5.980 3.453 -0.932) 6.968 5.992 ( 7.142 4.123 2.847) 8.724 6.213 ( -2.427 -1.401 4.873) 5.621 6.535 ( 4.192 2.420 -2.388) 5.398 6.783 ( 5.374 3.103 -3.733) 7.242 7.123 ( -1.789 -1.033 -2.480) 3.228 7.350 ( -6.759 -3.902 -1.783) 8.005 8.069 ( -7.103 -4.101 10.142) 13.043 8.898 ( -8.169 -4.717 -18.804) 21.037======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 2.602 1.502 -2.682) 4.028 2.440 ( 6.188 3.573 0.690) 7.179 3.962 ( 10.603 6.122 -1.536) 12.339 5.206 ( 3.126 1.805 -1.378) 3.864 6.031 ( -2.959 -1.709 -0.290) 3.429 6.190 ( -1.083 -0.626 4.335) 4.512 6.647 ( 6.474 3.738 -3.359) 8.196 6.889 ( 4.498 2.597 -2.844) 5.921 7.117 ( 1.957 1.130 -3.044) 3.791 7.233 ( -3.183 -1.837 2.325) 4.349 7.880 ( -11.165 -6.446 4.149) 13.543 8.767 ( 0.687 0.397 -9.276) 9.310======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 0.975 0.563 -1.989) 2.286 2.538 ( 2.036 1.175 0.753) 2.469 4.113 ( 3.192 1.843 -4.650) 5.934 5.251 ( 1.284 0.741 -0.400) 1.535 5.957 ( -1.706 -0.985 0.910) 2.170 6.183 ( -0.916 -0.529 2.997) 3.178 6.778 ( 4.821 2.783 -2.954) 6.302 6.959 ( 2.140 1.236 -1.896) 3.115 7.110 ( -0.551 -0.318 -4.210) 4.258 7.249 ( 1.056 0.610 2.794) 3.049 7.666 ( -6.223 -3.593 4.825) 8.656 8.797 ( 2.632 1.520 -1.821) 3.543======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.128 ( 0.318 0.184 -1.090) 1.150 2.539 ( -2.216 -1.280 0.858) 2.699 4.080 ( -3.713 -2.144 -7.168) 8.353 5.266 ( -0.140 -0.081 0.918) 0.932 5.991 ( 3.504 2.023 3.608) 5.421 6.162 ( -1.583 -0.914 1.098) 2.132 6.801 ( -2.718 -1.569 -0.748) 3.226 6.970 ( -0.686 -0.396 -0.844) 1.158 7.096 ( -0.025 -0.014 -7.109) 7.109 7.232 ( -0.620 -0.358 3.664) 3.733 7.683 ( 4.045 2.335 5.272) 7.043 8.867 ( 3.549 2.049 4.312) 5.949======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( -2.003 -1.156 -0.786) 2.443 2.439 ( -6.728 -3.884 0.612) 7.793 3.910 ( -8.647 -4.993 -5.684) 11.489 5.237 ( -3.080 -1.778 1.304) 3.788 6.084 ( 1.163 0.671 4.029) 4.247 6.127 ( -1.063 -0.614 -1.218) 1.729 6.680 ( -6.190 -3.574 -0.420) 7.160 6.926 ( -2.905 -1.677 0.584) 3.405 7.055 ( 0.220 0.127 -5.210) 5.216 7.297 ( 3.247 1.874 4.506) 5.862 7.797 ( 4.795 2.768 -2.677) 6.150 9.024 ( 7.699 4.445 12.390) 15.249======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( -6.965 -4.021 -1.442) 8.171 2.228 ( -11.638 -6.719 -0.292) 13.441 3.637 ( -14.055 -8.115 -1.963) 16.348 5.124 ( -6.865 -3.963 0.694) 7.957 5.985 ( -10.957 -6.326 2.188) 12.840 6.117 ( 1.025 0.592 -3.522) 3.716 6.550 ( -4.938 -2.851 -0.946) 5.779 6.848 ( -4.135 -2.387 2.015) 5.183 7.115 ( 5.261 3.038 -2.408) 6.535 7.380 ( 4.211 2.431 -0.333) 4.873 7.903 ( 6.043 3.489 -4.233) 8.161 9.303 ( 11.153 6.439 16.386) 20.841======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( -12.790 -7.384 -2.396) 14.961 1.899 ( -16.448 -9.496 -1.696) 19.068 3.225 ( -21.888 -12.637 0.992) 25.293 4.945 ( -8.156 -4.709 0.278) 9.421 5.650 ( -16.832 -9.718 0.247) 19.438 6.137 ( 1.707 0.986 -5.785) 6.112 6.435 ( -4.532 -2.616 -1.719) 5.508 6.760 ( -3.909 -2.257 2.988) 5.413 7.145 ( -2.831 -1.635 -1.932) 3.797 7.594 ( 14.884 8.593 -2.984) 17.443 8.052 ( 7.538 4.352 -1.704) 8.869 9.625 ( 11.141 6.432 14.573) 19.439======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( -17.332 -10.007 -2.530) 20.173 1.466 ( -19.907 -11.493 -2.707) 23.145 2.624 ( -30.468 -17.590 2.507) 35.270 4.772 ( -6.636 -3.831 0.586) 7.685 5.261 ( -16.001 -9.238 -0.364) 18.480 6.134 ( -0.072 -0.042 -7.367) 7.367 6.330 ( -3.894 -2.248 -2.336) 5.067 6.703 ( -1.865 -1.077 3.191) 3.849 7.022 ( -6.296 -3.635 -1.629) 7.450 7.969 ( 17.227 9.946 -4.353) 20.363 8.226 ( 7.350 4.243 1.335) 8.591 9.904 ( 8.740 5.046 10.200) 14.349======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -19.816 -11.441 -0.615) 22.890 0.977 ( -21.234 -12.260 -2.004) 24.601 1.853 ( -36.673 -21.173 4.529) 42.588 4.650 ( -4.180 -2.413 1.120) 4.955 4.930 ( -12.195 -7.041 -0.331) 14.085 6.086 ( -1.440 -0.832 -7.226) 7.415 6.242 ( -2.964 -1.711 -1.774) 3.855 6.695 ( 0.043 0.025 2.665) 2.665 6.869 ( -6.068 -3.504 -1.300) 7.127 8.284 ( 11.150 6.437 -16.477) 20.911 8.424 ( 8.579 4.953 13.802) 16.989 10.099 ( 5.634 3.253 6.784) 9.400======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( -0.000 17.495 11.365) 20.862 0.659 ( -0.000 16.208 17.497) 23.850 1.169 ( -0.000 36.753 18.455) 41.126 4.605 ( -0.000 2.557 2.558) 3.617 4.689 ( -0.000 9.354 -0.557) 9.371 5.956 ( 0.000 -0.560 -8.207) 8.226 6.168 ( -0.000 6.222 -2.317) 6.639 6.730 ( -0.000 1.929 -0.047) 1.930 6.749 ( -0.000 -0.412 4.076) 4.096 8.144 ( 0.000 -1.113 -20.107) 20.137 8.749 ( -0.000 0.701 8.578) 8.607 10.416 ( -0.000 -17.661 12.231) 21.483======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 13.756 16.821 6.951) 22.814 0.977 ( 11.445 14.228 13.113) 22.481 1.731 ( 15.257 33.667 9.440) 38.149 4.647 ( 0.760 4.262 2.082) 4.804 4.875 ( 8.172 11.334 2.010) 14.117 6.029 ( 9.554 -1.344 -6.310) 11.529 6.251 ( 3.785 3.605 -0.211) 5.231 6.733 ( -2.399 0.136 3.129) 3.945 6.780 ( 2.504 4.439 -2.162) 5.536 8.029 ( -1.792 -5.227 -17.380) 18.237 8.730 ( -3.560 -7.899 11.755) 14.602 10.163 ( -13.891 -9.246 3.077) 16.968======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 12.329 12.336 5.788) 18.376 1.424 ( 15.757 15.025 6.110) 22.613 2.374 ( 20.670 26.115 2.212) 33.379 4.742 ( 3.544 5.921 1.673) 7.100 5.197 ( 12.919 12.998 4.689) 18.916 6.158 ( 7.670 -1.186 -1.483) 7.902 6.353 ( 4.486 2.570 -0.907) 5.249 6.693 ( -3.488 0.750 2.276) 4.232 6.898 ( 6.512 5.081 -4.314) 9.318 7.855 ( -4.331 -7.401 -13.310) 15.833 8.556 ( -9.178 -12.074 13.001) 19.976 9.804 ( -17.369 -6.586 -7.025) 19.860======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 11.315 8.762 1.323) 14.372 1.841 ( 13.095 14.181 3.380) 19.596 2.960 ( 20.513 18.333 -1.116) 27.534 4.894 ( 5.425 7.304 1.095) 9.164 5.588 ( 13.885 12.866 5.758) 19.785 6.243 ( 3.177 -1.378 2.367) 4.194 6.449 ( 3.053 4.119 -2.180) 5.571 6.666 ( -1.019 2.391 -0.466) 2.640 7.045 ( 6.790 2.371 -4.711) 8.598 7.635 ( -7.023 -9.003 -7.818) 13.838 8.316 ( -8.959 -10.471 11.730) 18.097 9.384 ( -18.336 -6.654 -14.438) 24.268======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 8.050 5.037 -1.816) 9.668 2.178 ( 9.163 12.558 1.460) 15.613 3.439 ( 17.890 11.618 -1.509) 21.384 5.067 ( 4.987 7.699 -0.023) 9.173 5.934 ( 9.316 9.868 4.154) 14.192 6.268 ( -0.728 0.704 4.293) 4.411 6.517 ( 1.004 4.577 -2.531) 5.326 6.717 ( 3.691 3.552 -3.287) 6.086 7.109 ( 1.534 -0.890 -5.064) 5.366 7.400 ( -6.500 -7.974 -2.881) 10.684 8.157 ( -4.745 -7.109 11.462) 14.297 8.963 ( -14.451 -5.912 -17.883) 23.740======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( 4.372 2.111 -3.177) 5.803 2.420 ( 4.941 10.548 0.793) 11.675 3.797 ( 13.693 5.889 -1.828) 15.018 5.208 ( 2.434 7.825 -0.980) 8.253 6.088 ( -1.387 4.101 0.879) 4.418 6.276 ( -3.282 4.325 5.063) 7.423 6.578 ( 3.568 3.996 -4.292) 6.865 6.808 ( 4.571 1.636 -3.564) 6.023 7.103 ( 1.477 1.596 -3.067) 3.760 7.258 ( -2.522 -4.217 -0.082) 4.915 8.012 ( -9.343 -7.908 7.117) 14.159 8.713 ( -1.725 -2.636 -11.813) 12.226======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( 2.047 0.695 -3.000) 3.698 2.568 ( 0.736 8.457 1.020) 8.550 4.006 ( 7.679 0.466 -4.409) 8.867 5.303 ( -0.744 9.056 -0.945) 9.136 6.025 ( -5.921 1.020 0.283) 6.015 6.281 ( -4.414 6.541 4.306) 8.989 6.693 ( 6.258 3.244 -4.676) 8.459 6.871 ( 4.295 -1.934 -2.477) 5.322 7.148 ( -1.278 4.896 -5.961) 7.820 7.239 ( 2.800 -0.434 5.165) 5.892 7.766 ( -9.574 -7.288 4.231) 12.755 8.713 ( 5.053 -1.885 -3.293) 6.319======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( 1.157 0.227 -2.157) 2.458 2.622 ( -3.621 6.404 1.451) 7.498 4.040 ( 1.144 -3.767 -7.558) 8.522 5.350 ( -4.062 8.512 -0.332) 9.438 5.994 ( 0.323 3.186 2.700) 4.189 6.273 ( -6.074 6.762 2.899) 9.541 6.783 ( 2.788 -0.072 -3.386) 4.387 6.918 ( 4.315 -2.026 -0.083) 4.767 7.104 ( -3.863 0.588 -6.846) 7.883 7.287 ( -1.630 3.193 1.473) 3.876 7.664 ( 1.268 -2.426 8.786) 9.202 8.785 ( 6.408 -2.507 1.217) 6.988======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( -0.204 -0.825 -1.567) 1.782 2.579 ( -8.289 4.268 1.555) 9.452 3.936 ( -3.758 -5.993 -7.567) 10.358 5.329 ( -5.842 4.549 0.603) 7.429 6.094 ( 2.656 5.711 3.042) 6.995 6.229 ( -6.663 5.741 1.638) 8.946 6.746 ( -4.469 -2.066 -1.019) 5.028 6.945 ( -0.838 -1.328 0.594) 1.679 7.025 ( 0.231 -1.175 -6.791) 6.896 7.306 ( -0.193 2.819 3.664) 4.627 7.734 ( 3.835 -0.252 2.084) 4.372 8.922 ( 10.290 -0.996 7.686) 12.882======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( -3.958 -3.231 -1.738) 5.397 2.427 ( -13.348 1.706 0.929) 13.489 3.744 ( -8.321 -7.251 -4.425) 11.891 5.237 ( -8.031 0.427 0.638) 8.067 6.128 ( -5.737 2.447 0.697) 6.276 6.178 ( -6.487 3.930 1.635) 7.759 6.625 ( -6.211 -0.495 -1.337) 6.373 6.891 ( -2.896 -1.892 0.620) 3.515 7.048 ( 4.335 2.106 -3.141) 5.752 7.341 ( 1.265 -0.393 0.829) 1.563 7.808 ( 5.630 0.864 -2.738) 6.320 9.180 ( 14.112 1.485 12.582) 18.965======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( -9.676 -5.852 -2.197) 11.519 2.155 ( -18.432 -1.067 -0.288) 18.465 3.452 ( -15.733 -8.534 -0.971) 17.925 5.071 ( -9.929 -1.831 0.307) 10.101 5.897 ( -18.469 -3.827 1.932) 18.960 6.138 ( -2.220 2.889 -2.715) 4.544 6.517 ( -6.101 1.190 -2.207) 6.596 6.815 ( -3.948 -2.098 1.896) 4.856 7.145 ( 1.550 0.737 -2.548) 3.072 7.412 ( 10.496 2.717 -3.053) 11.263 7.941 ( 8.347 2.248 -1.010) 8.703 9.499 ( 14.457 2.158 11.880) 18.836======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( -15.416 -6.855 -1.674) 16.955 1.773 ( -22.519 -2.719 -1.185) 22.714 3.000 ( -26.189 -9.562 1.111) 27.902 4.882 ( -9.215 -2.027 0.551) 9.451 5.508 ( -20.323 -4.895 0.887) 20.923 6.116 ( -1.280 0.664 -3.972) 4.226 6.421 ( -6.190 2.765 -3.014) 7.419 6.739 ( -2.975 -2.029 2.723) 4.515 7.079 ( -4.700 -2.683 -2.603) 6.006 7.721 ( 18.141 6.435 -4.759) 19.828 8.121 ( 9.236 2.350 2.068) 9.753 9.787 ( 12.387 0.882 7.732) 14.629======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( -19.788 -4.662 1.290) 20.371 1.332 ( -24.654 -1.913 -0.603) 24.735 2.370 ( -36.045 -8.584 2.726) 37.153 4.729 ( -6.726 -1.351 1.053) 6.941 5.139 ( -17.393 -2.973 0.594) 17.655 6.083 ( -1.450 0.920 -3.327) 3.744 6.331 ( -6.219 2.885 -2.741) 7.383 6.700 ( -0.582 -1.605 2.733) 3.222 6.947 ( -6.469 -1.759 -2.322) 7.094 8.054 ( 15.365 4.469 -11.534) 19.725 8.331 ( 10.724 1.837 9.806) 14.647 9.995 ( 9.685 -1.699 3.226) 10.348======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -0.000 20.693 6.223) 21.609 1.098 ( -0.000 15.909 12.654) 20.328 2.005 ( -0.000 36.035 7.297) 36.766 4.699 ( -0.000 4.552 3.217) 5.574 4.942 ( -0.000 15.563 1.897) 15.678 5.897 ( 0.000 1.307 -8.973) 9.068 6.260 ( -0.000 3.298 2.157) 3.941 6.770 ( -0.000 -0.305 3.651) 3.664 6.796 ( 0.000 5.664 -3.877) 6.864 7.920 ( 0.000 -7.275 -15.741) 17.341 8.706 ( -0.000 -11.710 11.569) 16.461 10.202 ( 0.000 -10.181 1.243) 10.257======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( 5.574 14.099 8.179) 17.227 1.370 ( 11.350 19.008 5.364) 22.780 2.435 ( 7.569 31.174 2.099) 32.149 4.773 ( 1.465 6.266 2.783) 7.012 5.185 ( 7.039 17.390 3.765) 19.134 5.977 ( 9.371 1.314 -6.256) 11.344 6.317 ( 2.080 2.426 1.637) 3.591 6.763 ( -2.011 0.765 2.440) 3.253 6.859 ( 2.382 5.478 -4.840) 7.688 7.771 ( -1.511 -9.142 -12.768) 15.776 8.575 ( -4.031 -15.520 11.174) 19.544 9.990 ( -12.432 -7.801 -3.934) 15.195======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 7.550 10.365 3.623) 13.325 1.789 ( 12.856 17.623 3.459) 22.087 2.880 ( 11.752 23.026 -1.382) 25.889 4.901 ( 3.847 8.216 2.145) 9.322 5.536 ( 10.858 17.055 4.401) 20.691 6.148 ( 8.508 1.755 -0.450) 8.699 6.394 ( 4.366 2.675 -1.888) 5.458 6.741 ( -2.923 2.598 1.030) 4.044 6.945 ( 4.595 2.774 -5.635) 7.782 7.591 ( -3.301 -10.538 -8.819) 14.132 8.362 ( -6.156 -15.065 10.043) 19.124 9.614 ( -19.117 -6.424 -9.388) 22.245======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 6.954 6.420 -0.551) 9.481 2.170 ( 9.863 16.530 1.728) 19.326 3.284 ( 13.609 14.560 -1.705) 20.003 5.074 ( 4.714 9.407 1.155) 10.585 5.898 ( 10.004 14.382 2.791) 17.740 6.274 ( 3.081 2.616 3.855) 5.585 6.509 ( 4.937 4.621 -4.394) 8.064 6.737 ( -1.519 5.044 -0.926) 5.348 7.013 ( 4.674 -1.613 -6.510) 8.175 7.388 ( -4.463 -10.457 -4.469) 12.216 8.177 ( -3.514 -11.005 10.057) 15.317 9.158 ( -20.508 -5.901 -13.243) 25.115======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 4.934 3.063 -2.955) 6.516 2.468 ( 5.494 15.311 0.732) 16.283 3.622 ( 12.849 7.373 -1.108) 14.855 5.249 ( 3.635 10.301 0.052) 10.924 6.149 ( 2.989 9.964 0.270) 10.406 6.362 ( 1.414 4.763 4.406) 6.640 6.585 ( 0.059 4.925 -4.904) 6.951 6.773 ( 0.448 3.880 -2.932) 4.884 7.038 ( 4.342 -2.229 -4.538) 6.665 7.237 ( -1.400 -5.590 -1.866) 6.057 8.073 ( -3.452 -9.026 9.691) 13.686 8.749 ( -12.658 -4.421 -12.378) 18.248======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 2.998 1.152 -3.472) 4.730 2.673 ( 1.039 13.856 0.978) 13.929 3.852 ( 8.998 1.290 -2.394) 9.400 5.408 ( 1.693 12.577 -0.594) 12.704 6.173 ( -7.506 4.414 -1.428) 8.824 6.444 ( -1.442 7.880 4.529) 9.202 6.620 ( 2.584 4.189 -5.819) 7.621 6.796 ( 1.348 -0.306 -2.581) 2.928 7.135 ( 8.201 1.203 0.787) 8.326 7.200 ( -0.304 0.574 -2.681) 2.759 7.879 ( -10.441 -8.813 4.160) 14.282 8.598 ( 1.980 -3.722 -3.925) 5.760======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 1.870 0.517 -2.836) 3.436 2.789 ( -3.484 12.262 1.923) 12.891 3.935 ( 3.554 -3.431 -5.292) 7.239 5.537 ( -3.270 14.282 -1.476) 14.726 6.070 ( -5.042 3.061 0.621) 5.931 6.483 ( -5.917 8.838 2.673) 10.966 6.707 ( 4.548 2.980 -4.546) 7.088 6.819 ( 4.066 -2.067 0.338) 4.574 7.168 ( -4.192 1.292 -5.025) 6.670 7.307 ( 5.809 4.085 1.156) 7.195 7.668 ( -4.473 -6.472 6.739) 10.359 8.628 ( 6.418 -5.433 -0.031) 8.409======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 0.759 -0.003 -2.049) 2.185 2.808 ( -8.387 10.241 2.626) 13.495 3.884 ( -0.770 -6.015 -6.917) 9.198 5.533 ( -9.522 9.027 -1.057) 13.163 6.124 ( 3.145 8.184 1.841) 8.959 6.435 ( -8.060 5.336 1.046) 9.723 6.780 ( 0.675 3.596 -0.999) 3.793 6.895 ( 5.183 -1.223 2.010) 5.693 7.041 ( -6.860 -0.787 -6.413) 9.424 7.370 ( -1.955 3.128 0.116) 3.690 7.666 ( 4.047 -3.452 6.565) 8.450 8.719 ( 10.760 -5.516 3.268) 12.526======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( -1.935 -1.223 -1.695) 2.849 2.714 ( -13.651 7.001 2.154) 15.492 3.758 ( -3.673 -6.398 -5.393) 9.139 5.417 ( -10.320 3.469 0.069) 10.887 6.256 ( -1.969 8.552 -0.088) 8.776 6.349 ( -6.391 3.455 2.136) 7.573 6.761 ( -7.474 4.310 0.166) 8.629 6.924 ( -2.457 -0.455 -2.293) 3.391 6.972 ( 3.985 -0.506 -0.530) 4.052 7.342 ( -2.188 -1.433 -0.353) 2.640 7.715 ( 3.999 -1.754 0.286) 4.377 8.937 ( 16.652 -3.156 7.254) 18.435======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -6.691 -2.417 -1.497) 7.270 2.489 ( -18.452 2.948 0.717) 18.700 3.584 ( -8.441 -5.345 -2.401) 10.275 5.250 ( -11.157 0.378 0.233) 11.165 6.183 ( -12.676 2.460 -0.519) 12.923 6.252 ( -8.587 1.169 2.611) 9.052 6.659 ( -8.063 4.494 -2.265) 9.505 6.881 ( -4.185 1.130 0.553) 4.370 7.070 ( 7.217 1.041 -2.086) 7.584 7.289 ( 2.115 -3.154 -2.589) 4.596 7.810 ( 7.708 0.534 0.075) 7.727 9.249 ( 18.170 -2.011 6.633) 19.447======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( -12.144 -1.925 -0.465) 12.304 2.151 ( -22.007 0.361 -0.260) 22.011 3.315 ( -17.351 -3.786 -0.647) 17.771 5.051 ( -11.286 -0.538 0.480) 11.309 5.856 ( -22.141 -1.513 1.104) 22.220 6.169 ( -4.083 1.081 0.310) 4.235 6.562 ( -7.069 4.141 -3.177) 8.787 6.795 ( -5.132 -1.370 1.230) 5.452 7.106 ( -1.378 -1.145 -2.924) 3.429 7.453 ( 15.947 2.837 -2.733) 16.426 7.976 ( 9.710 0.952 1.811) 9.923 9.544 ( 16.305 -3.070 2.176) 16.733======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -16.505 1.310 2.155) 16.696 1.753 ( -23.836 0.858 0.261) 23.853 2.893 ( -28.141 -0.875 -0.091) 28.155 4.866 ( -9.567 -0.226 0.886) 9.610 5.467 ( -21.168 0.022 1.576) 21.227 6.130 ( -2.208 2.201 1.090) 3.303 6.466 ( -6.806 2.748 -2.942) 7.908 6.711 ( -2.460 -2.363 1.229) 3.626 7.037 ( -5.049 1.106 -2.313) 5.663 7.766 ( 17.408 1.801 -5.848) 18.452 8.174 ( 11.146 -0.068 6.014) 12.665 9.756 ( 13.317 -5.522 -3.318) 14.793======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -0.000 12.987 7.565) 15.029 1.488 ( -0.000 21.124 3.745) 21.453 2.688 ( -0.000 29.142 -0.420) 29.145 4.829 ( -0.000 6.159 2.528) 6.657 5.338 ( -0.000 21.189 4.835) 21.733 5.889 ( 0.000 3.625 -6.008) 7.017 6.334 ( -0.000 2.308 2.608) 3.483 6.792 ( -0.000 0.522 1.907) 1.977 6.877 ( 0.000 5.516 -6.268) 8.350 7.642 ( 0.000 -10.533 -10.282) 14.719 8.477 ( -0.000 -17.747 9.162) 19.972 10.002 ( 0.000 -8.605 -5.103) 10.005======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 3.023 10.328 4.117) 11.522 1.791 ( 8.811 19.616 2.823) 21.689 2.981 ( 3.675 23.197 -2.721) 23.644 4.928 ( 2.902 7.310 1.865) 8.083 5.611 ( 4.069 21.156 4.594) 22.029 6.007 ( 9.460 5.136 -2.025) 10.953 6.372 ( 1.069 2.148 1.190) 2.678 6.797 ( -0.893 1.400 0.644) 1.781 6.908 ( 0.939 3.308 -7.151) 7.935 7.489 ( -1.257 -11.295 -7.068) 13.383 8.305 ( -2.513 -16.971 7.257) 18.628 9.789 ( -11.633 -8.075 -7.783) 16.158======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 4.144 6.861 0.188) 8.017 2.167 ( 10.945 17.814 1.771) 20.983 3.256 ( 6.637 15.801 -2.557) 17.328 5.086 ( 5.087 8.545 1.256) 10.023 5.913 ( 6.876 17.113 1.662) 18.517 6.242 ( 7.733 6.363 3.406) 10.577 6.442 ( 4.801 4.012 -1.947) 6.553 6.806 ( -0.508 3.556 -0.592) 3.641 6.911 ( 1.295 -1.511 -8.045) 8.288 7.325 ( -2.517 -10.334 -3.946) 11.344 8.135 ( -2.046 -12.995 6.999) 14.901 9.405 ( -18.964 -7.321 -10.179) 22.734======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 3.964 3.658 -2.574) 5.976 2.516 ( 8.357 16.794 0.642) 18.770 3.508 ( 8.850 8.645 -0.767) 12.395 5.274 ( 5.488 9.656 0.610) 11.124 6.184 ( 5.959 12.760 -0.960) 14.116 6.381 ( 2.511 4.071 3.474) 5.912 6.591 ( 4.268 6.605 -2.522) 8.258 6.830 ( -2.312 2.467 -5.602) 6.543 6.897 ( 5.411 -1.934 -4.038) 7.023 7.192 ( -1.241 -5.737 -1.606) 6.086 8.036 ( -0.074 -9.600 8.279) 12.677 8.951 ( -19.725 -6.110 -10.532) 23.181======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 3.220 1.623 -3.474) 5.007 2.790 ( 3.927 16.043 0.379) 16.521 3.715 ( 8.184 2.370 -0.210) 8.523 5.474 ( 5.091 11.952 0.193) 12.993 6.321 ( -1.982 7.103 -3.358) 8.103 6.471 ( 2.367 3.128 0.677) 3.981 6.665 ( -0.544 6.052 -0.951) 6.150 6.800 ( 0.149 1.159 -4.200) 4.359 6.974 ( 5.891 -1.580 -0.143) 6.101 7.190 ( 3.002 2.927 -3.215) 5.284 7.945 ( -4.598 -9.300 6.271) 12.122 8.596 ( -9.406 -4.408 -5.745) 11.870======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 2.502 0.859 -2.993) 3.995 2.976 ( -0.798 15.100 1.396) 15.185 3.820 ( 4.434 -2.762 -2.055) 5.613 5.689 ( 3.307 15.366 -0.599) 15.729 6.237 ( -9.980 3.276 -2.432) 10.782 6.536 ( 4.021 -0.024 -2.551) 4.762 6.755 ( 2.080 5.323 3.170) 6.535 6.767 ( -4.072 4.316 -3.235) 6.758 7.124 ( 11.638 -2.807 3.690) 12.527 7.261 ( 0.379 7.116 -6.402) 9.579 7.742 ( -8.679 -7.360 3.691) 11.963 8.490 ( 1.935 -5.722 0.017) 6.041======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 1.663 0.604 -2.125) 2.766 3.070 ( -6.109 13.458 2.830) 15.048 3.803 ( 0.589 -6.013 -4.491) 7.528 5.809 ( -9.009 12.687 -2.126) 15.705 6.161 ( 0.808 6.241 0.285) 6.299 6.554 ( -2.034 -0.345 -1.872) 2.786 6.738 ( 3.679 -3.083 -1.492) 5.027 6.884 ( 1.121 9.173 3.450) 9.864 7.169 ( -7.023 3.012 -2.752) 8.122 7.372 ( 6.676 1.822 -1.816) 7.154 7.601 ( -1.325 -4.794 5.795) 7.636 8.501 ( 6.810 -7.355 1.292) 10.106======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( -0.096 0.163 -1.538) 1.550 3.037 ( -12.495 9.273 2.752) 15.801 3.717 ( -0.944 -5.653 -4.440) 7.250 5.665 ( -13.603 4.573 -0.656) 14.366 6.337 ( 4.572 11.826 -0.559) 12.691 6.470 ( -5.598 -0.301 -0.077) 5.606 6.784 ( 5.594 -5.069 -0.273) 7.554 6.973 ( -1.882 1.944 -1.212) 2.965 7.050 ( -8.608 9.751 1.455) 13.088 7.374 ( -3.940 -2.461 -3.048) 5.556 7.628 ( 4.374 -3.392 3.651) 6.631 8.625 ( 14.863 -5.721 2.803) 16.171======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -3.357 -0.149 -1.130) 3.545 2.840 ( -17.560 2.987 0.755) 17.829 3.636 ( -3.146 -1.982 -1.704) 4.090 5.464 ( -12.559 1.145 0.063) 12.611 6.355 ( -6.947 1.133 0.507) 7.057 6.439 ( -6.387 4.263 0.097) 7.679 6.826 ( -3.616 0.731 -1.170) 3.870 6.884 ( 4.292 -0.564 -2.477) 4.988 7.070 ( -7.226 8.011 2.220) 11.014 7.232 ( -1.959 -6.616 -4.036) 7.994 7.698 ( 5.640 -0.500 2.182) 6.068 8.897 ( 19.638 -4.040 1.662) 20.118======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -7.561 0.778 -0.266) 7.605 2.520 ( -20.075 -0.528 -0.391) 20.086 3.527 ( -9.347 1.172 -0.273) 9.424 5.255 ( -12.063 -0.085 0.323) 12.067 6.205 ( -16.804 -0.061 -1.106) 16.840 6.269 ( -7.111 -0.790 2.701) 7.647 6.708 ( -7.333 1.314 -2.237) 7.778 6.915 ( -9.485 -1.624 -0.954) 9.670 7.051 ( 7.994 1.513 -2.484) 8.507 7.249 ( 6.781 1.535 -1.258) 7.066 7.833 ( 8.305 0.654 3.076) 8.880 9.192 ( 18.804 -4.747 -3.209) 19.657======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -11.404 3.503 1.298) 12.000 2.153 ( -21.134 -0.032 0.051) 21.134 3.312 ( -18.526 4.131 -0.796) 18.998 5.053 ( -11.214 0.214 0.613) 11.232 5.853 ( -21.103 0.532 0.952) 21.132 6.197 ( -2.918 0.673 2.737) 4.057 6.585 ( -6.449 -0.779 -1.471) 6.660 6.762 ( -5.558 -1.248 -1.447) 5.878 7.114 ( -1.396 3.413 -2.286) 4.339 7.465 ( 15.553 -0.093 -1.833) 15.660 8.008 ( 9.652 -0.121 4.866) 10.810 9.412 ( 15.845 -6.948 -9.325) 19.654======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( -0.000 8.732 2.120) 8.986 1.918 ( -0.000 19.139 2.331) 19.281 3.156 ( -0.000 19.241 -4.012) 19.655 4.975 ( -0.000 7.012 0.641) 7.041 5.833 ( -0.000 22.843 6.182) 23.664 5.961 ( -0.000 6.114 -0.709) 6.155 6.391 ( -0.000 2.065 1.416) 2.504 6.816 ( 0.000 1.139 -0.546) 1.263 6.901 ( 0.000 1.393 -8.251) 8.367 7.368 ( 0.000 -10.297 -4.231) 11.132 8.181 ( 0.000 -15.519 4.856) 16.261 9.774 ( 0.000 -9.352 -8.505) 12.641======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 1.460 6.020 -0.521) 6.216 2.179 ( 7.746 17.067 1.598) 18.811 3.325 ( 2.005 13.683 -3.510) 14.268 5.083 ( 4.054 7.292 -0.060) 8.343 6.012 ( 1.112 13.511 2.125) 13.722 6.184 ( 9.093 11.788 3.948) 15.402 6.427 ( 1.334 3.193 0.822) 3.557 6.816 ( -0.316 -0.431 -2.350) 2.410 6.867 ( 0.238 -1.324 -8.352) 8.459 7.263 ( -1.499 -5.484 -1.759) 5.951 8.052 ( -0.662 -11.367 4.232) 12.148 9.548 ( -10.631 -9.659 -9.643) 17.300======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 2.248 3.378 -2.547) 4.791 2.512 ( 10.631 15.377 0.607) 18.704 3.478 ( 4.251 7.995 -1.215) 9.136 5.253 ( 6.722 7.773 -0.244) 10.279 6.196 ( 5.030 9.799 -0.102) 11.015 6.383 ( 3.395 3.841 2.697) 5.793 6.563 ( 6.628 7.975 0.891) 10.408 6.745 ( 0.054 -7.494 -8.152) 11.073 6.884 ( 2.787 4.321 -2.980) 5.943 7.194 ( -3.587 0.724 -0.310) 3.672 7.971 ( -0.016 -7.378 5.340) 9.108 9.170 ( -17.037 -8.952 -9.677) 21.541======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 2.651 1.688 -3.160) 4.457 2.837 ( 8.837 14.678 -0.341) 17.136 3.620 ( 5.690 2.519 0.954) 6.296 5.467 ( 8.087 9.427 0.045) 12.421 6.323 ( 3.505 1.801 -4.187) 5.750 6.494 ( 1.760 4.673 3.002) 5.826 6.665 ( 4.492 -6.267 -4.795) 9.080 6.718 ( 2.719 5.958 -0.428) 6.563 7.011 ( 1.915 9.434 -3.562) 10.264 7.153 ( -0.835 2.185 0.008) 2.339 7.921 ( -1.080 -6.662 5.539) 8.731 8.757 ( -16.114 -6.733 -6.913) 18.782======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 2.717 1.044 -2.570) 3.882 3.100 ( 4.659 14.410 -0.200) 15.146 3.714 ( 4.292 -2.637 0.880) 5.114 5.724 ( 8.528 12.582 0.215) 15.201 6.358 ( 1.091 -0.345 -3.661) 3.835 6.471 ( -2.128 -2.069 -2.551) 3.914 6.781 ( 0.269 2.254 -2.310) 3.239 6.814 ( 9.811 2.897 6.183) 11.953 6.999 ( -5.545 5.634 -3.194) 8.526 7.274 ( 5.590 7.004 -3.734) 9.708 7.803 ( -5.700 -8.181 3.460) 10.554 8.481 ( -7.129 -4.531 -1.424) 8.566======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 2.354 0.896 -1.651) 3.012 3.281 ( -0.659 13.854 1.361) 13.936 3.712 ( 1.189 -6.881 -1.342) 7.111 5.994 ( 4.931 15.084 -0.772) 15.888 6.270 ( -8.719 1.687 -1.526) 9.011 6.475 ( 6.319 -4.715 -0.997) 7.947 6.714 ( -5.334 -1.477 -1.436) 5.718 6.979 ( -1.119 7.773 0.596) 7.876 7.097 ( 15.138 -1.852 3.180) 15.579 7.363 ( -2.726 7.168 -5.492) 9.433 7.642 ( -4.832 -5.172 3.184) 7.761 8.375 ( -0.037 -5.616 0.898) 5.687======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 1.317 0.732 -1.076) 1.852 3.328 ( -9.226 8.280 2.031) 12.562 3.647 ( 1.373 -5.202 -2.379) 5.883 5.967 ( -15.826 4.191 -0.726) 16.387 6.339 ( 7.451 10.935 -1.235) 13.289 6.523 ( 2.121 -2.758 -0.182) 3.484 6.626 ( 0.764 -5.691 0.786) 5.796 7.016 ( -0.856 2.684 -1.891) 3.393 7.291 ( -7.015 6.999 1.443) 10.014 7.337 ( 7.469 -2.573 -1.731) 8.087 7.559 ( -1.547 -2.577 1.963) 3.590 8.380 ( 7.084 -4.644 0.902) 8.518======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( -0.591 0.679 -0.849) 1.238 3.135 ( -14.992 -2.139 -0.732) 15.162 3.660 ( 0.274 2.881 0.825) 3.010 5.711 ( -15.095 0.391 0.159) 15.101 6.473 ( -5.029 0.411 1.435) 5.245 6.521 ( 1.102 1.753 -2.043) 2.908 6.661 ( 9.338 -1.861 0.377) 9.529 6.973 ( -5.110 1.371 -2.930) 6.048 7.189 ( -3.977 -6.721 -4.303) 8.916 7.321 ( -9.013 6.491 1.981) 11.283 7.604 ( 6.290 -1.237 2.921) 7.045 8.548 ( 15.368 -2.138 -0.791) 15.536======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( -3.210 1.384 -0.557) 3.540 2.813 ( -16.706 -4.862 -1.453) 17.460 3.680 ( -4.251 5.729 1.997) 7.408 5.465 ( -12.802 -1.165 0.199) 12.856 6.373 ( -7.073 -0.155 1.710) 7.279 6.420 ( -7.418 -5.961 -1.223) 9.594 6.799 ( -0.325 -1.245 -3.498) 3.727 6.912 ( 1.425 3.380 -0.247) 3.676 7.001 ( -3.823 -7.269 -3.300) 8.852 7.274 ( -4.154 5.797 -0.593) 7.156 7.730 ( 6.658 0.997 4.916) 8.336 8.811 ( 17.505 -2.404 -5.764) 18.585======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( -5.997 3.199 -0.045) 6.797 2.470 ( -17.142 -3.211 -0.790) 17.458 3.623 ( -10.913 7.415 0.953) 13.228 5.247 ( -11.068 -0.924 0.022) 11.107 6.162 ( -14.167 -2.815 -1.513) 14.523 6.270 ( -5.038 -1.906 3.404) 6.372 6.668 ( -6.312 -3.510 -1.749) 7.431 6.841 ( -4.701 -0.776 -2.907) 5.582 7.087 ( 6.581 1.529 -0.396) 6.768 7.293 ( 3.283 2.314 -2.142) 4.552 7.885 ( 7.487 0.786 6.649) 10.044 9.032 ( 15.385 -4.692 -12.295) 20.246======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( -0.000 4.206 -1.988) 4.652 2.273 ( -0.000 14.728 1.301) 14.786 3.414 ( -0.000 9.687 -3.268) 10.223 5.112 ( -0.000 6.656 -1.019) 6.734 6.119 ( -0.000 8.190 3.858) 9.053 6.238 ( -0.000 10.469 2.387) 10.738 6.456 ( -0.000 4.028 2.473) 4.726 6.773 ( 0.000 -7.245 -9.532) 11.973 6.822 ( 0.000 0.503 -2.835) 2.879 7.268 ( -0.000 4.052 0.152) 4.055 7.977 ( 0.000 -6.850 3.277) 7.594 9.498 ( 0.000 -11.510 -10.073) 15.295======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 0.837 2.335 -2.788) 3.732 2.484 ( 7.923 12.270 0.608) 14.619 3.494 ( 1.545 5.551 -1.427) 5.937 5.214 ( 4.824 6.187 -1.223) 7.940 6.222 ( 1.034 6.073 2.270) 6.565 6.352 ( 4.972 3.018 1.324) 5.965 6.540 ( 3.742 3.947 3.471) 6.452 6.656 ( -0.885 -5.859 -8.748) 10.566 6.835 ( 2.759 0.016 -3.481) 4.442 7.319 ( -3.202 9.700 0.651) 10.236 7.946 ( -0.578 -1.259 3.978) 4.212 9.258 ( -8.986 -12.114 -9.922) 18.054======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 1.731 1.293 -2.499) 3.304 2.778 ( 11.849 10.745 -0.440) 16.001 3.571 ( 3.061 1.788 0.999) 3.683 5.393 ( 8.888 6.428 -0.780) 10.996 6.258 ( 1.599 -2.128 -2.243) 3.481 6.495 ( 4.966 4.335 4.950) 8.243 6.553 ( -0.326 -3.864 -6.692) 7.734 6.698 ( 5.878 4.876 0.427) 7.649 6.919 ( 8.601 0.812 -2.026) 8.873 7.330 ( -7.013 9.351 -0.169) 11.690 7.941 ( -3.106 1.720 3.862) 5.246 8.908 ( -13.144 -10.536 -7.742) 18.539======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 2.420 1.037 -1.476) 3.018 3.083 ( 11.154 10.051 -1.324) 15.072 3.633 ( 2.941 -1.998 2.350) 4.262 5.647 ( 12.154 8.015 0.145) 14.559 6.251 ( 3.170 -4.811 -2.453) 6.262 6.491 ( -1.862 -0.885 -3.494) 4.057 6.644 ( 7.530 0.901 2.565) 8.006 6.823 ( 2.707 4.037 1.501) 5.087 7.131 ( 11.444 4.509 -3.246) 12.722 7.263 ( -9.088 6.964 -0.149) 11.451 7.858 ( -7.772 -2.149 1.402) 8.184 8.590 ( -10.598 -5.712 -3.006) 12.409======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 2.567 1.019 -0.462) 2.800 3.345 ( 8.015 9.630 -1.088) 12.576 3.630 ( 0.016 -5.938 1.625) 6.156 5.962 ( 13.068 9.657 0.435) 16.255 6.263 ( 5.062 -6.001 -0.896) 7.901 6.432 ( -4.366 0.503 -0.645) 4.442 6.781 ( 4.203 0.570 -4.449) 6.147 6.887 ( 3.317 -0.587 6.144) 7.007 7.122 ( -8.654 5.986 -0.657) 10.543 7.384 ( 8.049 5.981 -3.550) 10.637 7.677 ( -7.044 -5.791 1.475) 9.237 8.401 ( -6.643 -2.443 -0.155) 7.080======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 2.064 0.895 -0.001) 2.249 3.514 ( -6.226 -5.363 0.020) 8.218 3.549 ( 6.193 5.199 -0.026) 8.085 6.240 ( -8.017 2.714 0.474) 8.478 6.264 ( 12.111 -0.993 -0.528) 12.163 6.364 ( 1.261 -0.183 0.292) 1.308 6.705 ( -6.991 1.065 0.141) 7.073 7.007 ( 4.672 -1.405 -4.599) 6.705 7.137 ( 7.496 0.248 6.029) 9.623 7.451 ( -6.171 4.515 -3.464) 8.394 7.574 ( 0.349 -3.702 1.672) 4.077 8.307 ( -1.479 -0.711 -0.010) 1.641======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( 1.000 0.786 -0.086) 1.274 3.284 ( -9.646 -10.294 -1.681) 14.207 3.698 ( 2.415 7.958 1.944) 8.540 5.987 ( -16.442 -2.381 0.964) 16.641 6.350 ( 7.504 -11.592 -0.526) 13.819 6.513 ( 4.232 6.132 -1.147) 7.538 6.649 ( -2.249 4.665 3.299) 6.141 6.992 ( 0.008 -3.773 -3.931) 5.449 7.223 ( -4.654 -2.596 -3.006) 6.118 7.432 ( 5.998 1.151 4.924) 7.845 7.520 ( -3.671 -1.308 -1.617) 4.219 8.362 ( 6.346 3.092 -0.577) 7.083======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( -0.415 1.057 -0.395) 1.202 2.983 ( -12.085 -9.823 -1.847) 15.682 3.804 ( -0.656 8.102 2.978) 8.657 5.682 ( -14.779 -3.941 0.781) 15.315 6.325 ( 4.034 -12.782 -1.877) 13.534 6.504 ( -6.557 0.035 2.710) 7.095 6.755 ( 3.623 5.093 -1.919) 6.538 6.913 ( -0.177 -7.731 -4.743) 9.071 7.063 ( -8.546 2.421 0.864) 8.924 7.401 ( -6.142 0.092 -1.390) 6.298 7.615 ( 9.483 -0.739 2.743) 9.899 8.550 ( 10.683 4.189 -3.424) 11.975======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( -1.966 1.915 -0.754) 2.846 2.675 ( -12.681 -6.727 -1.113) 14.398 3.851 ( -5.186 8.665 2.495) 10.402 5.415 ( -11.240 -3.919 -0.123) 11.904 6.224 ( -1.133 -9.997 -2.790) 10.441 6.356 ( -7.506 -4.794 2.870) 9.358 6.725 ( -5.012 -1.732 -3.155) 6.171 6.876 ( -0.177 0.548 -4.133) 4.173 7.048 ( 0.374 4.946 4.488) 6.690 7.301 ( -3.211 -1.022 -3.869) 5.131 7.776 ( 8.760 -1.269 4.765) 10.053 8.748 ( 10.132 2.058 -8.835) 13.599======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 0.000 1.248 -2.509) 2.802 2.518 ( -0.000 8.936 0.380) 8.944 3.519 ( -0.000 2.795 -0.490) 2.838 5.220 ( -0.000 4.924 -1.393) 5.118 6.274 ( 0.000 -3.633 -1.706) 4.013 6.327 ( -0.000 8.543 5.290) 10.049 6.532 ( 0.000 -0.805 -0.219) 0.834 6.604 ( 0.000 -0.698 -3.234) 3.308 6.787 ( 0.000 -1.449 -3.999) 4.253 7.449 ( -0.000 8.612 0.014) 8.612 8.004 ( -0.000 8.308 4.521) 9.458 9.165 ( 0.000 -14.276 -9.900) 17.373======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 0.866 0.871 -1.301) 1.789 2.673 ( 8.751 6.366 -0.298) 10.826 3.550 ( 1.390 0.728 1.261) 2.013 5.309 ( 5.661 3.947 -1.047) 6.980 6.216 ( -0.527 -3.508 -1.951) 4.048 6.471 ( 3.960 4.512 3.662) 7.032 6.520 ( 0.323 0.473 -4.102) 4.142 6.640 ( 4.603 1.878 2.986) 5.799 6.789 ( 3.994 -2.108 -2.798) 5.312 7.486 ( -2.741 4.454 -0.996) 5.324 8.104 ( -4.493 13.056 3.590) 14.266 8.927 ( -6.282 -13.600 -8.005) 16.985======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 1.760 1.025 0.212) 2.047 2.925 ( 13.644 4.317 -1.206) 14.362 3.587 ( 1.867 -0.873 2.639) 3.349 5.489 ( 11.246 3.127 -0.196) 11.674 6.179 ( 0.369 -2.053 -1.849) 2.788 6.502 ( -0.623 1.368 -2.037) 2.532 6.570 ( 3.249 -0.092 2.899) 4.356 6.800 ( 4.832 3.968 2.039) 6.577 6.896 ( 13.579 -1.443 -1.060) 13.697 7.447 ( -5.187 2.583 -1.146) 5.907 8.068 ( -12.345 5.988 -0.860) 13.747 8.677 ( -7.346 -5.939 -2.810) 9.856======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 2.259 1.069 1.284) 2.810 3.193 ( 13.737 1.087 -1.425) 13.853 3.604 ( 0.273 -1.596 2.294) 2.808 5.744 ( 15.303 -0.168 0.492) 15.311 6.185 ( 1.704 1.479 -0.484) 2.308 6.498 ( -1.874 2.196 0.894) 3.022 6.646 ( 5.993 -1.355 -0.073) 6.144 6.882 ( 2.088 -0.348 3.361) 3.972 7.163 ( 15.189 1.185 -2.851) 15.500 7.346 ( -7.862 0.328 0.774) 7.907 7.835 ( -13.697 -0.686 -2.623) 13.963 8.525 ( -8.281 1.313 0.092) 8.385======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 2.207 0.852 1.569) 2.839 3.361 ( 7.597 -8.833 0.253) 11.654 3.607 ( 0.450 4.340 -0.297) 4.373 5.956 ( 13.180 -9.891 -0.061) 16.479 6.290 ( 4.539 8.250 1.467) 9.529 6.472 ( -5.241 2.154 2.605) 6.236 6.737 ( 5.176 -0.971 -6.127) 8.079 6.895 ( 0.878 -2.430 4.973) 5.604 7.169 ( -6.732 -2.658 3.247) 7.932 7.422 ( 11.336 -1.893 -0.455) 11.502 7.630 ( -9.635 2.428 -2.466) 10.238 8.400 ( -7.772 2.895 -0.263) 8.297======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 1.668 0.644 1.192) 2.149 3.264 ( -3.034 -14.163 0.021) 14.484 3.724 ( 4.389 7.303 -0.299) 8.526 6.002 ( 6.618 -15.169 -0.219) 16.552 6.315 ( -11.456 -0.188 2.266) 11.680 6.490 ( 4.937 6.833 0.707) 8.459 6.732 ( -0.814 1.135 -1.895) 2.355 6.923 ( 0.345 -4.473 -0.192) 4.490 7.138 ( 6.627 -3.927 4.370) 8.857 7.464 ( -3.112 -4.506 3.316) 6.401 7.550 ( -2.854 4.688 -4.934) 7.380 8.359 ( -0.696 5.792 -0.391) 5.847======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 0.830 0.677 0.473) 1.171 3.029 ( -7.233 -13.154 -0.687) 15.027 3.868 ( 3.405 7.028 1.058) 7.880 5.845 ( -8.117 -12.932 0.701) 15.285 6.156 ( -2.152 -5.994 -0.135) 6.370 6.588 ( -0.918 0.046 0.657) 1.129 6.757 ( 1.029 3.535 0.870) 3.783 6.822 ( -1.035 -7.387 -1.851) 7.685 7.204 ( -1.229 -0.511 0.530) 1.432 7.441 ( 4.682 -3.566 4.019) 7.126 7.488 ( -4.608 2.388 -4.519) 6.882 8.478 ( 5.239 8.063 -0.439) 9.626======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -0.069 0.940 -0.414) 1.029 2.772 ( -8.358 -9.579 -0.497) 12.722 3.982 ( 0.574 7.461 1.354) 7.604 5.552 ( -11.068 -9.414 0.307) 14.533 6.082 ( 1.815 -8.721 -1.629) 9.056 6.436 ( -7.932 -9.060 1.250) 12.107 6.776 ( -1.540 1.267 -1.385) 2.428 6.840 ( 3.486 2.928 -2.366) 5.131 7.162 ( -3.816 2.837 4.071) 6.260 7.348 ( -6.029 -2.800 -2.724) 7.184 7.588 ( 9.660 -2.215 0.161) 9.912 8.652 ( 5.356 7.167 -2.279) 9.233======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( -0.000 0.926 0.452) 1.031 2.636 ( -0.000 2.899 -0.456) 2.935 3.548 ( -0.000 0.110 2.346) 2.348 5.285 ( -0.000 2.232 -0.775) 2.363 6.183 ( 0.000 -1.999 -2.258) 3.015 6.487 ( -0.000 2.791 0.638) 2.863 6.521 ( 0.000 2.397 -1.546) 2.852 6.612 ( -0.000 -1.356 4.448) 4.650 6.732 ( 0.000 -0.413 -0.542) 0.681 7.528 ( 0.000 1.346 -1.833) 2.274 8.307 ( -0.000 13.021 0.748) 13.042 8.819 ( 0.000 -10.812 -5.202) 11.998======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 0.872 1.184 2.140) 2.597 2.733 ( 9.338 0.057 -0.992) 9.391 3.568 ( 0.962 -0.211 3.461) 3.598 5.352 ( 6.170 0.646 -0.133) 6.205 6.168 ( -0.225 0.899 -1.869) 2.086 6.499 ( 1.788 -1.916 -1.784) 3.171 6.555 ( 0.147 2.747 2.080) 3.449 6.672 ( 7.901 -2.699 1.831) 8.548 6.777 ( 2.882 2.965 3.298) 5.289 7.511 ( -1.966 0.329 -2.148) 2.930 8.270 ( -7.788 -4.715 -6.277) 11.058 8.756 ( -3.939 6.334 2.006) 7.724======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 1.529 0.938 3.031) 3.523 2.924 ( 14.100 -3.528 -1.311) 14.593 3.593 ( 0.811 -0.554 3.228) 3.374 5.499 ( 10.938 -2.435 0.571) 11.220 6.190 ( 1.185 3.984 -0.808) 4.234 6.511 ( 2.562 -2.085 -2.037) 3.881 6.595 ( -0.114 2.475 5.808) 6.314 6.800 ( 8.252 -4.594 1.908) 9.635 6.918 ( 9.698 2.784 0.835) 10.124 7.442 ( -4.716 -2.039 -1.536) 5.363 8.003 ( -9.960 -8.093 -6.002) 14.167 8.745 ( -9.791 10.974 2.619) 14.939======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 1.958 0.328 3.000) 3.598 3.096 ( 12.053 -9.435 -0.311) 15.310 3.614 ( 1.285 0.752 0.872) 1.725 5.649 ( 11.319 -8.073 0.293) 13.906 6.300 ( 4.422 7.392 1.750) 8.790 6.524 ( 2.112 -2.121 -2.387) 3.828 6.648 ( 0.913 2.523 5.227) 5.876 6.856 ( 2.602 -4.622 3.576) 6.397 7.145 ( 13.612 -0.892 -2.073) 13.797 7.284 ( -7.271 -7.322 2.047) 10.520 7.789 ( -7.037 -0.216 -4.574) 8.395 8.646 ( -13.493 9.167 1.626) 16.393======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 2.057 -0.047 2.345) 3.120 3.113 ( 3.825 -15.009 0.983) 15.520 3.687 ( 5.169 3.178 -1.436) 6.235 5.717 ( 8.493 -12.616 -0.333) 15.212 6.447 ( 1.588 2.647 4.010) 5.060 6.508 ( -1.390 -1.489 -0.109) 2.040 6.690 ( 0.515 2.228 -3.261) 3.983 6.875 ( 4.297 -2.679 5.012) 7.125 7.085 ( -5.459 -7.612 4.504) 10.394 7.332 ( 9.353 -5.806 1.202) 11.074 7.704 ( -5.307 6.475 -5.220) 9.866 8.518 ( -10.188 8.172 1.761) 13.179======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 1.677 0.069 1.431) 2.205 2.968 ( -2.158 -15.323 0.763) 15.493 3.829 ( 7.092 3.721 -1.383) 8.128 5.689 ( 4.219 -15.050 -0.523) 15.639 6.298 ( -12.484 -3.343 2.767) 13.217 6.534 ( 3.152 -4.414 -2.445) 5.950 6.737 ( 2.558 1.759 1.224) 3.337 6.860 ( -5.710 -3.374 4.889) 8.239 7.072 ( 8.548 -2.783 -1.052) 9.051 7.373 ( 2.363 -6.020 3.575) 7.389 7.655 ( -7.475 7.881 -4.064) 11.598 8.517 ( -0.612 8.911 2.525) 9.282======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -0.000 1.168 3.711) 3.890 2.628 ( 0.000 -3.061 -1.098) 3.252 3.574 ( -0.000 -0.079 4.624) 4.625 5.296 ( 0.000 -0.934 0.212) 0.958 6.188 ( 0.000 3.623 -1.777) 4.036 6.405 ( 0.000 -6.707 -5.484) 8.664 6.592 ( -0.000 -0.636 2.565) 2.643 6.616 ( -0.000 2.275 6.593) 6.974 6.798 ( -0.000 3.294 4.218) 5.352 7.518 ( 0.000 -0.677 -2.738) 2.821 8.188 ( 0.000 -15.221 -8.618) 17.492 8.938 ( -0.000 16.516 4.238) 17.051======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.567 0.243 4.248) 4.293 2.661 ( 9.061 -6.317 -1.308) 11.123 3.591 ( 0.291 -0.959 4.837) 4.940 5.330 ( 5.575 -3.094 0.737) 6.419 6.210 ( -0.102 3.143 -2.141) 3.804 6.386 ( 6.035 -5.013 -3.860) 8.743 6.615 ( 5.034 -4.369 2.903) 7.270 6.675 ( -0.908 4.995 7.093) 8.723 6.866 ( 2.749 2.090 3.631) 5.011 7.467 ( -2.475 -4.057 -2.590) 5.412 7.981 ( -3.277 -11.597 -6.816) 13.845 9.058 ( -7.413 16.269 3.224) 18.167======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 1.371 -1.195 3.719) 4.140 2.772 ( 12.723 -10.547 -0.964) 16.554 3.597 ( 0.623 -2.161 3.186) 3.900 5.410 ( 8.136 -6.537 0.638) 10.456 6.270 ( 5.260 1.764 -0.895) 5.620 6.423 ( 3.334 -3.361 -2.000) 5.139 6.695 ( 6.405 -4.122 4.248) 8.722 6.741 ( 1.416 3.113 5.592) 6.555 6.959 ( 5.813 0.378 1.483) 6.011 7.323 ( -5.571 -8.548 -0.427) 10.213 7.837 ( -2.899 -1.622 -5.168) 6.144 9.026 ( -14.445 13.629 2.401) 20.004======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 2.435 -2.007 2.681) 4.140 2.844 ( 9.634 -15.057 0.239) 17.877 3.613 ( 3.620 -1.992 0.360) 4.147 5.466 ( 7.446 -9.882 -0.096) 12.373 6.385 ( 7.219 -4.741 -0.447) 8.648 6.428 ( 2.227 -2.598 -0.431) 3.449 6.765 ( 4.349 -6.427 3.424) 8.482 6.798 ( -1.844 7.762 5.551) 9.719 7.078 ( 6.518 -8.723 1.952) 11.063 7.158 ( -2.262 -1.371 1.303) 2.948 7.794 ( -2.094 4.615 -5.671) 7.605 8.877 ( -17.078 11.382 3.449) 20.811======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( 3.068 -1.711 1.630) 3.873 2.798 ( 3.697 -16.762 1.115) 17.201 3.699 ( 8.238 -1.012 -1.514) 8.437 5.468 ( 5.373 -11.768 -0.300) 12.940 6.380 ( 0.275 -8.993 1.198) 9.077 6.420 ( 1.305 -6.115 -1.949) 6.549 6.752 ( -0.837 -1.736 4.955) 5.317 6.893 ( 1.069 0.842 3.181) 3.460 6.976 ( -1.377 -2.259 1.062) 2.850 7.257 ( 6.263 -2.068 2.334) 6.996 7.795 ( -2.517 6.962 -6.667) 9.963 8.742 ( -11.885 10.693 6.746) 17.353======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( -0.000 -1.486 4.620) 4.853 2.497 ( 0.000 -9.111 -1.372) 9.214 3.593 ( -0.000 -2.700 5.783) 6.382 5.247 ( 0.000 -4.454 0.919) 4.548 6.214 ( 0.000 -7.593 -4.578) 8.866 6.260 ( 0.000 3.022 -2.729) 4.072 6.546 ( -0.000 -4.535 3.092) 5.489 6.769 ( -0.000 5.736 8.459) 10.220 6.867 ( -0.000 0.573 3.032) 3.086 7.420 ( 0.000 -7.878 -2.278) 8.200 7.893 ( 0.000 -5.021 -5.147) 7.190 9.303 ( -0.000 16.260 2.103) 16.396======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 0.487 -3.928 3.798) 5.486 2.464 ( 8.408 -12.383 -1.143) 15.011 3.570 ( -0.100 -5.599 4.978) 7.492 5.237 ( 4.425 -6.649 0.724) 8.020 6.156 ( 3.471 -5.589 -2.559) 7.059 6.308 ( 5.710 -3.974 -3.562) 7.816 6.535 ( 3.477 -5.436 2.616) 6.963 6.827 ( -1.716 3.826 5.513) 6.926 6.917 ( 2.593 1.829 4.345) 5.380 7.311 ( -2.607 -7.167 0.304) 7.633 7.857 ( -1.237 2.833 -3.843) 4.932 9.385 ( -8.931 14.369 1.082) 16.953======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 2.335 -5.540 2.243) 6.417 2.501 ( 11.420 -15.700 -0.432) 19.419 3.525 ( 1.694 -7.787 2.728) 8.423 5.255 ( 6.043 -8.952 -0.139) 10.802 6.180 ( 7.243 -8.950 -0.674) 11.534 6.327 ( 4.319 -7.324 -3.224) 9.093 6.590 ( 8.079 -6.049 3.127) 10.566 6.865 ( 2.545 0.776 2.299) 3.517 6.983 ( -0.567 2.138 5.589) 6.011 7.222 ( -3.632 0.813 2.431) 4.445 7.865 ( -2.110 6.737 -4.113) 8.170 9.302 ( -15.752 12.247 1.932) 20.046======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 4.659 -5.291 0.854) 7.102 2.515 ( 9.100 -17.678 0.410) 19.887 3.523 ( 6.917 -7.538 0.515) 10.244 5.260 ( 5.794 -10.309 -0.553) 11.839 6.195 ( 7.436 -14.089 0.603) 15.942 6.303 ( 2.782 -6.446 -3.400) 7.800 6.673 ( 5.410 -5.380 3.837) 8.540 6.900 ( 1.452 -8.985 1.744) 9.267 7.011 ( -0.327 7.719 4.675) 9.031 7.232 ( -1.437 7.045 1.835) 7.421 7.881 ( -2.564 7.756 -5.468) 9.830 9.140 ( -16.784 11.190 6.187) 21.100======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.000 -7.286 3.448) 8.061 2.245 ( 0.000 -15.063 -1.149) 15.107 3.513 ( -0.000 -10.207 4.967) 11.352 5.129 ( 0.000 -7.733 0.463) 7.746 6.067 ( 0.000 -4.647 -0.766) 4.710 6.136 ( 0.000 -13.931 -5.746) 15.069 6.473 ( -0.000 -4.562 2.658) 5.280 6.865 ( 0.000 -2.127 0.990) 2.345 6.962 ( -0.000 7.042 7.184) 10.060 7.293 ( -0.000 -0.998 2.532) 2.721 7.909 ( -0.000 7.301 -2.752) 7.803 9.606 ( -0.000 13.420 -0.731) 13.440======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 1.167 -9.976 1.871) 10.217 2.155 ( 8.299 -17.568 -0.505) 19.436 3.405 ( 0.796 -14.686 3.233) 15.059 5.079 ( 3.512 -8.947 -0.346) 9.618 5.959 ( 3.240 -16.933 -2.913) 17.484 6.117 ( 7.836 -5.846 -1.206) 9.851 6.457 ( 2.805 -4.481 2.710) 5.940 6.836 ( -0.217 -2.656 -0.037) 2.665 7.042 ( 0.159 1.776 6.677) 6.911 7.326 ( -1.761 8.799 3.854) 9.767 7.971 ( -1.814 9.738 -2.977) 10.343 9.646 ( -9.127 11.819 -1.109) 14.974======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 4.996 -10.303 -0.132) 11.451 2.149 ( 11.390 -18.951 0.027) 22.111 3.303 ( 5.498 -16.296 1.499) 17.264 5.059 ( 5.105 -9.781 -0.959) 11.075 5.872 ( 8.823 -19.587 -1.704) 21.550 6.181 ( 4.554 -3.680 -1.815) 6.130 6.520 ( 7.392 -4.155 4.143) 9.438 6.805 ( 0.612 -4.649 -0.618) 4.730 7.061 ( 0.397 -0.829 5.182) 5.263 7.415 ( -4.130 14.303 3.884) 15.386 8.010 ( -3.805 9.947 -4.120) 11.419 9.544 ( -14.567 10.486 2.122) 18.074======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 0.000 -13.791 1.765) 13.903 1.885 ( 0.000 -20.022 -0.486) 20.027 3.222 ( 0.000 -21.838 1.565) 21.894 4.958 ( 0.000 -8.831 -0.775) 8.865 5.708 ( 0.000 -21.831 -4.639) 22.319 6.021 ( -0.000 -1.550 4.384) 4.649 6.396 ( 0.000 -4.659 1.415) 4.869 6.808 ( 0.000 -3.089 -1.263) 3.337 7.058 ( -0.000 -2.651 5.787) 6.365 7.483 ( -0.000 15.085 5.856) 16.182 8.086 ( -0.000 11.551 -3.571) 12.091 9.832 ( -0.000 10.873 -3.552) 11.439======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 2.777 -15.627 -0.186) 15.873 1.765 ( 9.158 -20.993 0.305) 22.906 3.008 ( 4.157 -26.189 -0.210) 26.518 4.892 ( 2.777 -8.706 -1.213) 9.218 5.527 ( 5.630 -20.754 -2.597) 21.661 6.074 ( 4.328 -1.343 3.607) 5.791 6.389 ( 4.278 -4.046 2.487) 6.391 6.766 ( -0.555 -3.046 -2.135) 3.761 7.040 ( 0.467 -4.799 4.546) 6.627 7.652 ( -2.355 16.973 7.179) 18.579 8.163 ( -2.851 11.555 -5.220) 12.996 9.846 ( -8.245 9.614 -2.792) 12.970======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( 0.000 -19.188 0.554) 19.196 1.449 ( 0.000 -23.153 0.432) 23.157 2.655 ( 0.000 -33.934 -2.833) 34.053 4.783 ( 0.000 -7.403 -1.422) 7.538 5.268 ( 0.000 -19.140 -1.491) 19.198 6.049 ( -0.000 -0.712 7.932) 7.963 6.312 ( 0.000 -4.360 0.838) 4.440 6.737 ( 0.000 -2.007 -3.013) 3.621 6.992 ( -0.000 -6.623 3.796) 7.634 7.878 ( -0.000 17.050 10.387) 19.965 8.284 ( 0.000 11.720 -7.717) 14.032 9.993 ( 0.000 8.771 -5.870) 10.554======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( -0.000 0.000 20.521) 20.521 0.485 ( -0.000 0.000 20.521) 20.521 0.854 ( -0.000 0.000 37.106) 37.106 4.582 ( -0.000 0.000 2.348) 2.348 4.582 ( -0.000 0.000 2.348) 2.348 5.966 ( 0.000 -0.000 -6.973) 6.973 5.966 ( 0.000 -0.000 -6.973) 6.973 6.768 ( -0.000 0.000 4.726) 4.726 6.768 ( -0.000 0.000 4.726) 4.726 8.037 ( 0.000 -0.000 -14.956) 14.956 8.702 ( -0.000 0.000 10.140) 10.140 10.793 ( -0.000 0.000 0.483) 0.483======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 14.705 8.490 15.593) 23.053 0.790 ( 14.658 8.463 14.854) 22.519 1.268 ( 22.791 13.158 21.769) 34.153 4.597 ( 1.350 0.779 1.992) 2.530 4.718 ( 9.020 5.208 2.418) 10.693 6.032 ( 4.821 2.783 -5.755) 8.007 6.092 ( 11.150 6.438 -10.507) 16.619 6.748 ( -1.042 -0.601 3.577) 3.774 6.761 ( -1.843 -1.064 4.872) 5.316 8.008 ( -0.061 -0.035 -18.425) 18.425 8.813 ( 2.311 1.334 7.988) 8.422 10.436 ( -22.220 -12.829 8.666) 27.081======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 14.709 8.492 10.292) 19.859 1.208 ( 16.957 9.790 9.392) 21.716 1.940 ( 28.837 16.649 7.157) 34.058 4.664 ( 3.867 2.233 1.718) 4.785 5.004 ( 14.242 8.222 5.110) 17.220 6.138 ( 5.687 3.283 -4.631) 8.035 6.287 ( 7.229 4.174 -3.902) 9.215 6.717 ( -3.256 -1.880 4.047) 5.524 6.794 ( 5.098 2.943 -2.060) 6.237 7.894 ( -3.836 -2.215 -16.071) 16.670 8.779 ( -8.258 -4.768 11.735) 15.121 9.964 ( -19.849 -11.460 -1.151) 22.948======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 13.414 7.745 3.801) 15.949 1.622 ( 16.141 9.319 5.375) 19.398 2.606 ( 26.984 15.579 0.627) 31.165 4.788 ( 6.228 3.596 1.320) 7.312 5.390 ( 16.473 9.511 7.419) 20.417 6.245 ( 4.240 2.448 -2.548) 5.519 6.392 ( 2.900 1.674 -0.114) 3.351 6.655 ( -2.446 -1.412 1.753) 3.324 6.950 ( 8.338 4.814 -5.278) 10.980 7.724 ( -6.343 -3.662 -11.732) 13.830 8.557 ( -13.558 -7.828 13.810) 20.876 9.499 ( -18.396 -10.621 -11.842) 24.319======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 10.294 5.943 -1.158) 11.943 1.982 ( 13.468 7.776 2.646) 15.775 3.178 ( 22.479 12.979 -1.589) 26.006 4.948 ( 6.997 4.040 0.370) 8.088 5.780 ( 13.853 7.998 7.397) 17.623 6.290 ( -0.355 -0.205 1.835) 1.881 6.447 ( 2.374 1.371 -1.107) 2.956 6.651 ( 2.529 1.460 -2.302) 3.718 7.079 ( 3.615 2.087 -6.137) 7.422 7.518 ( -8.362 -4.828 -5.859) 11.295 8.330 ( -9.246 -5.338 13.613) 17.301 9.038 ( -16.014 -9.246 -17.944) 25.766======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 6.191 3.575 -3.699) 8.050 2.260 ( 9.945 5.742 1.381) 11.566 3.627 ( 16.795 9.697 -2.606) 19.568 5.095 ( 5.489 3.169 -0.847) 6.395 6.035 ( 5.061 2.922 4.800) 7.562 6.266 ( -2.074 -1.197 4.722) 5.295 6.501 ( 3.393 1.959 -3.634) 5.344 6.740 ( 5.526 3.190 -4.057) 7.561 7.076 ( -0.500 -0.289 -5.786) 5.815 7.336 ( -5.435 -3.138 -0.782) 6.324 8.186 ( -9.932 -5.734 10.550) 15.583 8.706 ( -4.937 -2.850 -15.342) 16.367======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 2.994 1.728 -4.097) 5.360 2.451 ( 6.109 3.527 1.219) 7.159 3.923 ( 9.779 5.646 -5.372) 12.504 5.192 ( 3.290 1.899 -1.034) 3.937 6.040 ( -3.811 -2.200 1.864) 4.779 6.244 ( -1.514 -0.874 5.359) 5.637 6.601 ( 6.477 3.739 -5.023) 9.009 6.852 ( 5.021 2.899 -3.816) 6.941 7.065 ( 0.963 0.556 -5.607) 5.717 7.272 ( -0.771 -0.445 3.933) 4.033 7.927 ( -12.320 -7.113 4.465) 14.910 8.689 ( 4.032 2.328 -4.692) 6.610======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( 1.641 0.947 -3.373) 3.869 2.550 ( 2.015 1.163 1.431) 2.732 4.033 ( 2.242 1.294 -9.420) 9.769 5.248 ( 1.856 1.071 0.007) 2.143 5.979 ( -0.830 -0.479 2.877) 3.032 6.226 ( -1.859 -1.073 4.680) 5.148 6.733 ( 5.778 3.336 -5.163) 8.436 6.931 ( 2.756 1.591 -3.161) 4.486 7.054 ( -0.284 -0.164 -6.158) 6.167 7.277 ( -1.052 -0.607 2.919) 3.161 7.751 ( -4.188 -2.418 10.284) 11.364 8.783 ( 4.618 2.666 -0.827) 5.396======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 0.861 0.497 -2.570) 2.755 2.553 ( -2.345 -1.354 1.506) 3.098 3.981 ( -3.001 -1.732 -10.457) 11.017 5.276 ( 0.209 0.120 0.930) 0.961 6.035 ( 3.967 2.290 4.324) 6.299 6.185 ( -2.918 -1.685 2.979) 4.498 6.781 ( -1.508 -0.871 -2.987) 3.457 6.954 ( 0.139 0.080 -2.050) 2.057 7.007 ( -0.423 -0.244 -8.766) 8.780 7.282 ( 1.078 0.622 5.282) 5.427 7.758 ( -0.108 -0.062 8.064) 8.065 8.916 ( 6.988 4.035 4.252) 9.121======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( -1.862 -1.075 -2.412) 3.231 2.449 ( -7.098 -4.098 1.151) 8.277 3.836 ( -6.581 -3.800 -7.491) 10.671 5.249 ( -3.184 -1.838 0.862) 3.776 6.123 ( -2.550 -1.472 0.510) 2.988 6.132 ( 0.864 0.499 4.515) 4.624 6.665 ( -5.928 -3.423 -2.319) 7.227 6.927 ( -1.981 -1.144 -0.465) 2.335 6.998 ( 1.908 1.102 -5.321) 5.759 7.339 ( 1.425 0.823 3.068) 3.481 7.782 ( 1.800 1.039 0.051) 2.080 9.151 ( 10.745 6.204 10.454) 16.225======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( -7.101 -4.100 -2.859) 8.683 2.228 ( -12.280 -7.090 0.268) 14.182 3.608 ( -11.999 -6.928 -3.338) 14.252 5.130 ( -7.055 -4.073 0.379) 8.155 6.020 ( -12.069 -6.968 4.181) 14.549 6.085 ( -0.428 -0.247 -2.316) 2.368 6.532 ( -4.892 -2.824 -2.197) 6.060 6.864 ( -3.368 -1.945 1.011) 4.018 7.081 ( 5.995 3.461 -3.794) 7.893 7.363 ( 2.219 1.281 -2.711) 3.731 7.877 ( 6.420 3.706 -0.648) 7.441 9.461 ( 11.771 6.796 12.106) 18.201======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -12.725 -7.347 -2.762) 14.951 1.886 ( -17.094 -9.869 -0.655) 19.749 3.230 ( -20.526 -11.851 -0.047) 23.701 4.950 ( -8.061 -4.654 0.562) 9.325 5.667 ( -17.908 -10.339 2.758) 20.862 6.075 ( 0.395 0.228 -5.393) 5.412 6.415 ( -4.569 -2.638 -1.910) 5.611 6.789 ( -3.370 -1.946 2.164) 4.452 7.112 ( -2.609 -1.506 -4.045) 5.044 7.546 ( 14.468 8.353 -5.418) 17.563 8.055 ( 8.475 4.893 1.835) 9.957 9.759 ( 10.196 5.887 9.597) 15.189======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( -0.000 12.179 14.010) 18.563 0.870 ( -0.000 13.916 19.722) 24.137 1.387 ( -0.000 26.405 20.557) 33.464 4.639 ( -0.000 2.751 3.526) 4.472 4.695 ( -0.000 9.323 1.629) 9.465 5.860 ( 0.000 -1.111 -9.053) 9.121 6.122 ( 0.000 11.250 -6.031) 12.765 6.751 ( -0.000 -2.152 3.648) 4.236 6.798 ( -0.000 -0.759 4.674) 4.735 7.938 ( 0.000 -0.832 -17.440) 17.459 8.841 ( -0.000 2.318 8.081) 8.407 10.513 ( 0.000 -19.446 5.904) 20.322======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 13.517 13.287 9.588) 21.242 1.140 ( 7.515 12.086 16.180) 21.548 1.836 ( 12.270 28.143 9.274) 32.071 4.674 ( 0.044 4.603 2.818) 5.397 4.908 ( 9.516 11.465 4.008) 15.429 5.945 ( 11.734 -0.982 -8.499) 14.522 6.235 ( 3.356 7.752 -3.118) 9.004 6.751 ( 0.001 0.483 0.686) 0.839 6.790 ( -1.232 0.122 3.456) 3.671 7.845 ( -1.199 -3.687 -16.037) 16.499 8.849 ( -2.431 -5.979 9.918) 11.833 10.188 ( -16.725 -13.765 1.287) 21.700======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 9.807 10.505 7.408) 16.168 1.501 ( 13.813 13.014 7.542) 20.422 2.396 ( 18.882 23.687 1.476) 30.328 4.764 ( 2.983 6.111 2.237) 7.159 5.259 ( 14.033 12.617 6.413) 19.930 6.118 ( 10.446 0.501 -5.476) 11.805 6.346 ( 3.769 2.792 -0.655) 4.736 6.720 ( -3.779 -0.108 2.400) 4.478 6.851 ( 5.378 4.172 -3.875) 7.832 7.710 ( -2.884 -5.366 -13.014) 14.370 8.696 ( -8.397 -12.479 12.430) 19.513 9.725 ( -21.449 -9.020 -7.322) 24.393======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 8.966 7.636 1.411) 11.862 1.881 ( 11.960 13.109 3.677) 18.122 2.946 ( 20.074 17.622 -1.407) 26.748 4.908 ( 4.727 7.298 1.344) 8.799 5.659 ( 14.202 11.358 6.874) 19.441 6.253 ( 5.017 1.040 -0.722) 5.175 6.423 ( 3.200 2.339 -1.936) 4.411 6.668 ( -2.895 1.667 0.861) 3.450 6.982 ( 6.600 2.219 -6.583) 9.582 7.544 ( -4.629 -6.796 -8.494) 11.822 8.455 ( -8.708 -11.856 13.384) 19.888 9.226 ( -21.626 -7.008 -14.106) 26.754======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 6.844 4.711 -2.792) 8.765 2.196 ( 8.648 11.986 1.757) 14.885 3.419 ( 17.704 11.790 -2.204) 21.385 5.067 ( 4.203 7.620 0.010) 8.702 5.986 ( 8.788 7.450 5.087) 12.594 6.311 ( 0.265 1.682 3.439) 3.838 6.483 ( 0.922 3.449 -3.404) 4.933 6.685 ( 2.206 3.547 -2.320) 4.778 7.039 ( 2.217 -0.583 -7.527) 7.868 7.367 ( -4.428 -6.654 -3.072) 8.563 8.294 ( -5.244 -8.472 13.290) 16.610 8.774 ( -14.930 -4.319 -16.051) 22.343======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 4.208 2.331 -4.361) 6.493 2.432 ( 4.930 10.375 1.341) 11.565 3.764 ( 12.592 6.151 -4.098) 14.601 5.198 ( 2.088 7.928 -0.871) 8.244 6.107 ( -2.179 1.992 2.367) 3.784 6.334 ( -3.164 4.360 5.345) 7.589 6.524 ( 3.438 3.276 -5.322) 7.133 6.770 ( 4.487 2.164 -3.367) 6.013 7.047 ( 1.749 2.570 -6.474) 7.182 7.271 ( -0.049 -3.716 1.898) 4.173 8.079 ( -12.559 -9.353 4.699) 16.349 8.616 ( 2.405 -0.089 -5.230) 5.757======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 2.463 1.163 -4.162) 4.974 2.583 ( 0.808 8.590 1.723) 8.798 3.937 ( 5.770 0.890 -7.819) 9.759 5.294 ( -0.469 8.924 -0.795) 8.971 6.038 ( -4.932 0.488 1.994) 5.343 6.335 ( -4.866 5.921 5.359) 9.352 6.631 ( 6.600 3.107 -6.181) 9.562 6.845 ( 4.629 -0.590 -2.359) 5.228 7.076 ( -1.060 4.327 -7.311) 8.561 7.289 ( 1.761 -0.436 4.208) 4.583 7.830 ( -6.738 -6.766 7.501) 12.143 8.689 ( 6.120 -0.846 -1.063) 6.269======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( 1.653 0.700 -3.388) 3.834 2.642 ( -3.768 6.724 2.127) 7.996 3.940 ( 0.213 -2.594 -10.246) 10.571 5.347 ( -3.215 7.972 -0.182) 8.598 6.028 ( 1.162 2.846 3.405) 4.587 6.313 ( -6.733 5.815 4.289) 9.877 6.736 ( 4.374 1.021 -4.919) 6.661 6.909 ( 4.137 -0.231 -1.879) 4.550 7.019 ( -4.622 0.683 -8.317) 9.540 7.316 ( -0.727 2.074 3.722) 4.323 7.777 ( 0.293 -3.906 11.505) 12.153 8.799 ( 8.594 -1.226 1.058) 8.746======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 0.024 -0.493 -2.896) 2.938 2.599 ( -8.770 4.527 2.001) 10.070 3.844 ( -2.843 -4.313 -8.903) 10.293 5.335 ( -5.344 4.206 0.392) 6.812 6.125 ( 2.281 4.214 2.656) 5.479 6.258 ( -6.906 5.532 3.300) 9.444 6.726 ( -4.339 -0.976 -2.610) 5.157 6.929 ( -1.325 -1.016 -4.941) 5.216 6.962 ( 2.225 1.230 -3.350) 4.206 7.345 ( 0.125 1.002 3.627) 3.765 7.770 ( -0.382 -2.958 4.538) 5.431 9.000 ( 13.689 0.201 6.222) 15.038======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -4.053 -2.908 -2.824) 5.732 2.438 ( -14.065 1.652 1.113) 14.206 3.690 ( -6.608 -5.695 -5.342) 10.230 5.243 ( -8.043 0.254 0.263) 8.052 6.129 ( -5.170 2.062 0.021) 5.566 6.215 ( -8.166 3.261 4.288) 9.783 6.602 ( -6.433 -0.328 -2.672) 6.974 6.890 ( -1.510 -1.514 -0.909) 2.324 7.012 ( 4.063 3.098 -3.597) 6.248 7.337 ( -0.579 -2.120 -1.289) 2.548 7.798 ( 4.887 0.689 0.728) 4.989 9.298 ( 15.896 0.887 8.744) 18.164======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( -9.745 -5.141 -2.278) 11.251 2.153 ( -19.090 -1.250 -0.019) 19.131 3.435 ( -14.242 -7.636 -2.158) 16.303 5.075 ( -9.834 -1.785 0.385) 10.002 5.925 ( -18.259 -4.849 2.980) 19.125 6.117 ( -4.899 3.648 -1.048) 6.197 6.488 ( -5.933 0.687 -2.867) 6.625 6.831 ( -3.099 -1.858 0.930) 3.731 7.105 ( 1.478 0.996 -4.716) 5.042 7.371 ( 9.573 2.909 -4.146) 10.830 7.945 ( 8.904 2.735 1.583) 9.448 9.603 ( 14.807 -0.117 6.813) 16.299======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( -0.000 17.782 8.252) 19.604 1.265 ( -0.000 11.450 17.124) 20.599 2.074 ( -0.000 31.146 4.941) 31.536 4.738 ( -0.000 4.241 3.689) 5.621 4.973 ( -0.000 16.439 3.775) 16.867 5.803 ( 0.000 2.028 -7.897) 8.154 6.275 ( -0.000 6.078 0.105) 6.079 6.762 ( 0.000 2.558 -2.020) 3.259 6.809 ( -0.000 -1.039 3.402) 3.558 7.754 ( 0.000 -5.283 -14.356) 15.298 8.826 ( -0.000 -10.806 10.283) 14.917 10.195 ( 0.000 -13.771 -2.319) 13.965======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 8.214 16.290 6.055) 19.222 1.473 ( 6.255 10.896 11.964) 17.349 2.446 ( 6.817 28.361 -0.196) 29.169 4.805 ( 1.172 5.972 3.095) 6.828 5.235 ( 7.425 17.548 5.133) 19.734 5.909 ( 10.593 3.073 -5.750) 12.438 6.338 ( 1.123 3.124 1.887) 3.819 6.776 ( -1.424 1.860 -1.289) 2.674 6.817 ( 1.473 1.781 -1.358) 2.681 7.636 ( -1.106 -6.661 -11.746) 13.548 8.696 ( -3.609 -16.516 10.755) 20.037 9.927 ( -13.878 -9.911 -7.273) 18.539======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 5.202 8.372 4.039) 10.652 1.835 ( 12.106 15.784 4.660) 20.430 2.859 ( 11.748 22.089 -2.345) 25.128 4.926 ( 3.400 7.947 2.326) 8.951 5.586 ( 10.970 15.602 4.536) 19.604 6.135 ( 10.970 4.623 -1.680) 12.022 6.389 ( 1.885 1.579 0.852) 2.603 6.748 ( -3.019 1.858 0.081) 3.546 6.880 ( 4.292 1.820 -6.028) 7.621 7.496 ( -2.376 -7.918 -8.388) 11.777 8.477 ( -5.351 -17.047 10.913) 20.936 9.498 ( -21.121 -6.784 -11.662) 25.063======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 5.301 5.408 -1.093) 7.651 2.193 ( 9.236 15.582 2.292) 18.258 3.263 ( 13.938 14.842 -2.016) 20.460 5.087 ( 4.034 9.208 1.133) 10.116 5.927 ( 10.005 11.947 2.375) 15.763 6.315 ( 3.710 4.005 3.481) 6.474 6.466 ( 4.124 4.234 -2.947) 6.604 6.727 ( -2.182 3.943 -1.021) 4.621 6.935 ( 4.558 -1.626 -7.618) 9.025 7.339 ( -3.033 -8.421 -4.417) 9.981 8.298 ( -2.310 -12.666 11.844) 17.494 9.008 ( -21.965 -4.727 -13.879) 26.409======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 4.286 2.954 -3.725) 6.401 2.480 ( 5.438 14.870 1.351) 15.891 3.604 ( 12.243 8.094 -2.149) 14.834 5.249 ( 3.020 10.394 -0.038) 10.824 6.154 ( 2.993 7.619 0.483) 8.200 6.405 ( 1.791 3.811 3.047) 5.198 6.539 ( -0.896 5.231 -2.893) 6.044 6.742 ( 0.292 3.216 -2.640) 4.171 6.977 ( 5.555 0.357 -6.419) 8.496 7.223 ( -0.267 -5.704 -0.822) 5.769 8.178 ( -6.078 -11.012 8.894) 15.405 8.627 ( -9.539 -1.671 -9.189) 13.350======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 3.061 1.593 -4.183) 5.423 2.689 ( 1.393 13.822 1.749) 14.002 3.814 ( 7.154 2.144 -4.401) 8.668 5.400 ( 1.219 12.689 -0.815) 12.773 6.163 ( -6.650 2.902 -0.305) 7.262 6.484 ( 0.968 4.679 1.433) 4.989 6.568 ( -0.102 6.875 -2.336) 7.262 6.773 ( 2.221 0.083 -1.678) 2.785 7.091 ( 3.917 6.292 -6.812) 10.067 7.216 ( 4.890 -3.706 3.448) 7.038 7.921 ( -10.584 -8.963 3.625) 14.336 8.574 ( 3.895 -2.659 -0.324) 4.727======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 2.176 1.155 -3.624) 4.382 2.814 ( -3.220 12.553 2.684) 13.235 3.865 ( 1.670 -2.193 -7.241) 7.748 5.520 ( -3.367 13.789 -1.587) 14.283 6.082 ( -3.392 2.526 1.470) 4.478 6.510 ( -4.879 5.386 1.813) 7.490 6.658 ( 4.004 5.561 -3.999) 7.934 6.825 ( 4.317 -0.154 0.688) 4.374 7.096 ( -4.974 3.243 -7.522) 9.583 7.330 ( 4.515 1.568 2.746) 5.512 7.755 ( -1.011 -7.180 8.912) 11.489 8.631 ( 6.769 -4.723 0.352) 8.261======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 0.962 0.599 -3.022) 3.227 2.840 ( -8.659 10.527 3.071) 13.972 3.801 ( -1.217 -4.332 -7.845) 9.044 5.522 ( -8.563 8.879 -0.912) 12.369 6.143 ( 3.215 6.946 1.602) 7.820 6.450 ( -7.061 3.349 1.678) 7.993 6.762 ( 2.317 5.035 -2.526) 6.091 6.906 ( 2.596 1.784 -0.574) 3.202 6.974 ( -6.323 0.178 -5.304) 8.255 7.376 ( -0.917 1.074 1.099) 1.789 7.747 ( 1.331 -6.110 8.010) 10.162 8.751 ( 13.047 -4.747 2.340) 14.080======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( -1.892 -0.635 -2.631) 3.302 2.738 ( -14.390 6.779 2.031) 16.036 3.697 ( -2.859 -4.464 -5.475) 7.620 5.417 ( -9.981 3.430 -0.073) 10.554 6.255 ( -2.544 7.316 0.110) 7.746 6.376 ( -4.867 2.884 2.483) 6.178 6.755 ( -9.193 4.937 -1.392) 10.528 6.877 ( 1.364 0.052 -5.375) 5.546 6.975 ( 1.327 1.685 0.242) 2.158 7.331 ( -2.722 -3.934 -1.163) 4.924 7.736 ( 2.138 -2.512 3.284) 4.655 9.002 ( 18.461 -4.114 4.482) 19.437======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( -6.533 -1.609 -1.876) 6.985 2.496 ( -19.028 2.528 0.485) 19.201 3.556 ( -7.711 -3.898 -2.750) 9.067 5.253 ( -11.029 0.440 0.257) 11.040 6.178 ( -11.335 2.246 -0.206) 11.558 6.289 ( -9.698 0.537 3.643) 10.373 6.627 ( -8.683 4.402 -3.320) 10.285 6.880 ( -3.005 1.734 -0.688) 3.537 7.037 ( 5.285 1.127 -3.990) 6.717 7.254 ( 2.421 -2.927 -3.352) 5.066 7.827 ( 7.390 0.972 2.672) 7.918 9.299 ( 18.650 -5.054 2.483) 19.482======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -0.000 19.461 4.932) 20.076 1.566 ( -0.000 8.330 10.390) 13.318 2.671 ( -0.000 27.154 -2.734) 27.291 4.856 ( -0.000 5.287 2.308) 5.769 5.399 ( -0.000 21.854 6.132) 22.698 5.835 ( 0.000 5.479 -3.626) 6.570 6.368 ( -0.000 2.058 3.373) 3.951 6.805 ( 0.000 4.240 -6.625) 7.866 6.810 ( -0.000 -0.533 1.204) 1.316 7.535 ( 0.000 -7.660 -9.111) 11.903 8.578 ( 0.000 -19.840 9.124) 21.837 9.919 ( 0.000 -9.619 -9.730) 13.682======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 1.680 7.058 4.975) 8.797 1.829 ( 8.745 17.934 3.955) 20.341 2.945 ( 3.962 22.543 -3.629) 23.174 4.948 ( 3.140 6.365 1.590) 7.273 5.661 ( 2.698 20.322 4.454) 20.979 5.996 ( 10.555 7.913 0.167) 13.193 6.396 ( 0.127 1.166 3.110) 3.324 6.797 ( -1.132 1.232 -1.301) 2.119 6.828 ( 1.229 1.560 -6.681) 6.970 7.417 ( -1.154 -8.410 -6.070) 10.435 8.388 ( -1.900 -19.347 7.799) 20.947 9.679 ( -12.194 -8.082 -12.042) 18.947======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 2.798 4.954 0.093) 5.690 2.190 ( 10.578 16.686 2.292) 19.889 3.228 ( 7.405 16.246 -2.327) 18.005 5.098 ( 5.185 7.743 1.043) 9.377 5.927 ( 5.968 15.700 0.904) 16.820 6.280 ( 8.853 8.025 3.501) 12.451 6.437 ( 2.461 3.332 1.051) 4.274 6.791 ( -1.297 3.142 -3.320) 4.752 6.825 ( 2.127 -2.581 -6.354) 7.180 7.285 ( -2.253 -7.969 -3.230) 8.889 8.218 ( -0.555 -14.787 8.194) 16.915 9.276 ( -19.474 -6.357 -13.126) 24.330======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 3.208 3.073 -2.756) 5.228 2.526 ( 8.187 16.029 0.984) 18.025 3.500 ( 9.106 9.588 -0.710) 13.242 5.280 ( 5.380 9.320 0.485) 10.773 6.168 ( 5.380 10.999 -1.879) 12.387 6.419 ( 1.798 3.468 3.615) 5.323 6.575 ( 3.500 7.495 -0.418) 8.282 6.758 ( 0.232 -1.992 -6.894) 7.180 6.861 ( 3.904 2.648 -2.687) 5.429 7.176 ( -1.237 -4.715 -1.207) 5.022 8.131 ( 0.831 -11.454 9.068) 14.632 8.829 ( -18.947 -3.947 -11.424) 22.474======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 3.039 1.936 -3.494) 5.019 2.797 ( 4.426 15.566 0.905) 16.209 3.708 ( 7.039 3.383 -1.058) 7.881 5.475 ( 4.754 12.047 0.004) 12.951 6.284 ( -1.165 5.509 -3.245) 6.499 6.465 ( -0.112 1.641 -1.350) 2.128 6.677 ( 0.863 8.275 2.784) 8.774 6.759 ( 0.782 1.279 -3.327) 3.649 6.965 ( 8.086 0.389 -1.481) 8.229 7.159 ( 1.560 1.301 -2.125) 2.940 8.006 ( -6.846 -10.595 4.625) 13.436 8.544 ( -5.611 -2.460 -3.462) 7.037======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 2.574 1.577 -3.115) 4.338 2.996 ( 0.085 14.938 2.023) 15.075 3.790 ( 2.438 -1.717 -3.300) 4.448 5.680 ( 2.413 15.418 -0.989) 15.637 6.215 ( -8.318 2.854 -1.499) 8.921 6.501 ( 4.027 0.371 -3.289) 5.213 6.732 ( -2.978 1.376 -2.788) 4.305 6.803 ( 1.657 8.215 4.875) 9.695 7.166 ( 14.051 -2.319 2.979) 14.549 7.188 ( -2.223 6.517 -5.802) 9.004 7.781 ( -7.549 -7.535 3.448) 11.209 8.496 ( 2.611 -5.356 0.931) 6.031======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 1.709 1.359 -2.610) 3.403 3.104 ( -5.647 13.424 3.245) 14.920 3.749 ( -0.769 -4.755 -5.237) 7.115 5.786 ( -8.762 12.863 -1.954) 15.686 6.165 ( 1.348 5.530 0.397) 5.706 6.535 ( -0.735 -0.025 -1.432) 1.609 6.712 ( 2.812 -0.904 -3.045) 4.242 6.925 ( 1.568 6.305 3.706) 7.480 7.133 ( -8.528 6.518 -3.503) 11.291 7.360 ( 5.945 -0.123 -0.451) 5.963 7.668 ( 0.962 -6.865 6.197) 9.298 8.514 ( 7.161 -7.036 1.013) 10.091======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( -0.105 0.846 -2.326) 2.477 3.066 ( -13.052 8.319 2.322) 15.651 3.670 ( -0.732 -3.402 -3.931) 5.250 5.658 ( -13.085 4.948 -0.519) 13.999 6.328 ( 4.528 10.749 -0.971) 11.704 6.476 ( -4.915 -0.082 1.211) 5.063 6.764 ( 5.663 -2.908 -3.486) 7.258 6.942 ( -5.166 0.004 -3.670) 6.337 7.078 ( -6.022 11.834 3.209) 13.660 7.340 ( -3.857 -4.315 -2.968) 6.504 7.677 ( 3.128 -4.784 5.025) 7.611 8.649 ( 15.767 -6.498 1.455) 17.116======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -3.188 0.530 -1.915) 3.757 2.845 ( -17.842 1.787 0.153) 17.932 3.621 ( -3.127 0.242 -1.079) 3.317 5.465 ( -12.410 1.259 0.115) 12.474 6.368 ( -7.677 2.200 1.685) 8.161 6.435 ( -4.458 2.830 -0.745) 5.332 6.802 ( -6.712 0.554 -3.069) 7.401 6.849 ( 6.938 0.922 -3.855) 7.991 7.086 ( -9.279 6.126 0.497) 11.130 7.187 ( -0.741 -5.749 -3.736) 6.897 7.736 ( 5.192 -0.162 4.589) 6.932 8.901 ( 19.438 -6.926 -0.932) 20.656======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -0.000 5.185 3.011) 5.996 1.946 ( -0.000 18.145 2.735) 18.350 3.112 ( -0.000 19.240 -3.782) 19.608 4.980 ( -0.000 6.054 0.285) 6.061 5.899 ( -0.000 22.113 5.666) 22.827 5.966 ( -0.000 8.089 1.612) 8.248 6.419 ( -0.000 1.005 3.694) 3.828 6.805 ( 0.000 0.056 -1.410) 1.411 6.806 ( 0.000 0.652 -8.918) 8.942 7.329 ( 0.000 -7.558 -2.996) 8.130 8.237 ( 0.000 -17.540 5.312) 18.327 9.653 ( 0.000 -8.839 -13.219) 15.902======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 0.949 3.777 -0.151) 3.897 2.198 ( 7.565 16.222 1.724) 17.982 3.292 ( 2.614 14.318 -2.193) 14.719 5.081 ( 4.350 6.464 -0.266) 7.796 6.035 ( 0.047 13.371 2.085) 13.533 6.225 ( 8.799 11.163 3.526) 14.645 6.454 ( 0.759 3.263 4.030) 5.241 6.752 ( -0.501 -4.172 -8.793) 9.745 6.807 ( 0.797 1.165 -2.866) 3.195 7.250 ( -1.688 -3.520 -0.613) 3.951 8.102 ( 0.231 -12.537 4.830) 13.437 9.419 ( -10.571 -8.590 -13.684) 19.308======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 1.792 2.617 -2.029) 3.766 2.518 ( 10.329 14.650 0.468) 17.931 3.472 ( 4.989 8.908 0.188) 10.212 5.250 ( 7.141 7.228 -0.289) 10.165 6.187 ( 2.990 8.911 -1.407) 9.504 6.422 ( 4.524 4.046 4.482) 7.545 6.578 ( 4.486 7.655 1.103) 8.941 6.656 ( 0.501 -7.097 -7.316) 10.205 6.854 ( 3.327 4.136 -2.556) 5.892 7.194 ( -3.833 1.491 0.261) 4.121 8.032 ( 1.185 -8.548 5.774) 10.383 9.048 ( -16.287 -7.135 -12.243) 21.588======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 2.420 1.993 -2.326) 3.903 2.833 ( 8.954 14.007 -0.398) 16.629 3.633 ( 5.521 3.424 1.474) 6.661 5.468 ( 8.404 9.317 0.100) 12.548 6.279 ( 2.939 1.994 -3.563) 5.031 6.505 ( -1.742 0.152 -1.392) 2.235 6.640 ( 8.410 -0.661 0.447) 8.448 6.723 ( 3.110 5.844 1.335) 6.753 6.971 ( 1.404 8.565 -3.716) 9.441 7.152 ( -1.927 2.604 -0.207) 3.247 7.978 ( -1.094 -8.674 4.719) 9.935 8.678 ( -13.745 -4.263 -7.256) 16.117======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 2.576 1.847 -1.855) 3.673 3.099 ( 5.623 13.790 0.020) 14.892 3.722 ( 2.814 -1.789 0.507) 3.372 5.725 ( 8.223 12.703 0.110) 15.133 6.323 ( 1.143 0.800 -2.545) 2.902 6.445 ( -1.349 -2.001 -1.977) 3.119 6.759 ( 1.375 0.621 -1.482) 2.115 6.885 ( 7.944 6.264 6.056) 11.790 6.969 ( -3.475 3.685 -2.196) 5.521 7.231 ( 3.651 6.828 -3.950) 8.692 7.834 ( -5.776 -8.843 2.087) 10.767 8.468 ( -4.980 -3.577 -0.899) 6.197======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 2.141 1.756 -1.474) 3.137 3.297 ( 0.726 13.438 1.601) 13.552 3.694 ( -0.740 -6.121 -1.843) 6.435 5.985 ( 3.848 15.231 -0.889) 15.735 6.257 ( -7.881 2.292 -0.769) 8.244 6.461 ( 6.005 -3.382 -1.497) 7.052 6.705 ( -4.327 -1.008 -0.104) 4.445 6.973 ( -0.017 4.053 -0.884) 4.148 7.146 ( 14.185 -0.605 4.198) 14.806 7.306 ( -2.550 8.061 -4.156) 9.421 7.671 ( -4.751 -5.479 1.990) 7.520 8.385 ( 0.361 -5.811 0.824) 5.880======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( 1.041 1.472 -1.491) 2.340 3.348 ( -9.680 6.203 1.456) 11.589 3.624 ( 1.643 -2.579 -1.793) 3.545 5.960 ( -15.543 5.139 -0.450) 16.377 6.324 ( 6.815 10.014 -1.500) 12.206 6.517 ( 3.457 -2.729 -1.013) 4.519 6.642 ( -0.527 -3.063 2.231) 3.826 6.986 ( -1.244 1.148 -3.283) 3.694 7.261 ( -3.003 -0.263 -4.591) 5.492 7.364 ( 1.650 5.788 4.085) 7.274 7.581 ( 0.525 -4.913 2.051) 5.350 8.389 ( 7.096 -5.185 0.752) 8.821======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -0.742 1.293 -1.665) 2.235 3.125 ( -14.952 -3.620 -1.089) 15.423 3.672 ( 0.216 5.020 1.335) 5.199 5.714 ( -15.133 0.757 0.280) 15.155 6.484 ( 0.201 3.280 -1.660) 3.682 6.499 ( -2.480 -1.053 0.103) 2.696 6.668 ( 6.741 -1.154 1.056) 6.920 6.930 ( -4.791 2.131 -4.702) 7.043 7.137 ( -4.266 -8.035 -4.836) 10.303 7.335 ( -9.454 6.640 0.530) 11.565 7.648 ( 7.298 -1.581 4.783) 8.868 8.536 ( 14.107 -3.828 -1.421) 14.686======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -0.000 2.673 -1.161) 2.914 2.287 ( -0.000 14.139 1.046) 14.177 3.391 ( -0.000 10.486 -0.896) 10.524 5.101 ( -0.000 6.150 -1.009) 6.232 6.168 ( -0.000 9.173 4.940) 10.419 6.248 ( -0.000 7.571 -0.184) 7.573 6.506 ( -0.000 4.912 6.316) 8.001 6.667 ( 0.000 -7.189 -9.460) 11.882 6.787 ( 0.000 -0.186 -3.546) 3.551 7.275 ( -0.000 4.736 0.926) 4.825 8.014 ( -0.000 -6.972 3.521) 7.810 9.364 ( 0.000 -10.155 -14.025) 17.315======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 0.742 1.991 -1.462) 2.579 2.488 ( 7.657 11.787 0.114) 14.056 3.493 ( 2.029 6.321 1.238) 6.753 5.201 ( 5.037 5.948 -1.097) 7.871 6.233 ( -1.022 3.854 -0.338) 4.002 6.378 ( 6.647 4.857 3.420) 8.915 6.557 ( -0.034 -6.448 -6.930) 9.466 6.596 ( 1.763 4.621 4.355) 6.590 6.798 ( 3.348 0.079 -3.193) 4.627 7.325 ( -3.347 9.101 0.308) 9.702 7.988 ( -0.284 -1.162 3.763) 3.948 9.132 ( -8.379 -10.282 -12.826) 18.451======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 1.584 1.854 -0.820) 2.572 2.769 ( 11.506 10.319 -1.097) 15.494 3.594 ( 3.412 2.332 3.106) 5.170 5.385 ( 9.365 6.458 -0.499) 11.387 6.229 ( 0.998 -2.088 -2.767) 3.607 6.488 ( -0.214 -2.139 -4.917) 5.366 6.553 ( 5.315 3.507 5.195) 8.218 6.709 ( 4.901 4.875 1.501) 7.074 6.899 ( 8.566 1.435 -1.366) 8.792 7.324 ( -6.989 8.637 -0.963) 11.152 7.975 ( -3.383 0.274 2.351) 4.129 8.816 ( -11.411 -7.967 -8.732) 16.430======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 2.152 1.972 -0.008) 2.919 3.066 ( 11.305 9.643 -1.807) 14.968 3.665 ( 2.427 -1.707 3.400) 4.512 5.650 ( 12.486 8.217 0.482) 14.955 6.226 ( 3.520 -4.112 -2.010) 5.774 6.461 ( -1.151 0.745 -1.738) 2.214 6.667 ( 5.299 -0.363 1.679) 5.571 6.854 ( 4.202 4.441 3.529) 7.060 7.091 ( 8.664 5.079 -3.392) 10.600 7.259 ( -7.854 7.195 -0.844) 10.685 7.862 ( -7.315 -4.223 -0.562) 8.466 8.558 ( -8.788 -3.615 -2.769) 9.898======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( 2.124 1.932 0.312) 2.888 3.331 ( 8.992 9.106 -1.347) 12.869 3.650 ( -1.383 -5.627 1.942) 6.112 5.968 ( 12.601 9.853 0.617) 16.008 6.255 ( 5.564 -5.361 -0.481) 7.741 6.432 ( -4.342 2.008 0.644) 4.826 6.738 ( 2.659 -1.032 -3.165) 4.261 6.941 ( 1.902 -0.533 3.413) 3.944 7.130 ( -5.324 7.360 2.148) 9.335 7.339 ( 5.825 6.508 -4.512) 9.831 7.688 ( -4.964 -6.434 0.415) 8.137 8.398 ( -6.106 -2.384 -0.376) 6.566======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 1.498 1.644 -0.000) 2.224 3.514 ( -6.120 -9.013 0.013) 10.895 3.548 ( 6.010 8.765 -0.016) 10.628 6.247 ( -7.738 5.431 0.781) 9.486 6.256 ( 10.577 -2.372 -0.812) 10.870 6.367 ( 0.621 0.057 0.180) 0.649 6.707 ( -2.831 0.563 0.095) 2.888 6.971 ( 1.717 -1.039 -1.736) 2.654 7.191 ( 4.287 1.063 3.019) 5.350 7.416 ( -1.562 4.378 -2.249) 5.163 7.588 ( -1.527 -4.007 0.731) 4.351 8.307 ( -1.114 -1.281 -0.006) 1.698======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( 0.460 1.384 -0.682) 1.610 3.269 ( -10.187 -10.270 -0.919) 14.495 3.716 ( 3.284 8.071 1.192) 8.794 5.996 ( -16.581 -1.867 0.724) 16.701 6.338 ( 6.747 -11.004 -1.700) 13.019 6.500 ( 4.250 7.130 -1.078) 8.370 6.694 ( -1.779 3.148 4.351) 5.657 6.946 ( -0.699 -3.565 -3.820) 5.272 7.185 ( -6.389 0.511 -3.948) 7.528 7.482 ( 8.089 -3.299 2.487) 9.083 7.505 ( -4.928 0.362 0.567) 4.973 8.358 ( 5.824 2.516 -0.110) 6.345======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( -0.000 1.662 -0.472) 1.728 2.518 ( -0.000 8.613 -0.264) 8.617 3.532 ( -0.000 3.384 2.812) 4.400 5.205 ( -0.000 4.988 -1.296) 5.154 6.247 ( 0.000 -4.065 -3.122) 5.126 6.381 ( -0.000 7.781 4.307) 8.893 6.493 ( 0.000 -1.699 -4.785) 5.078 6.633 ( -0.000 1.597 6.446) 6.641 6.745 ( 0.000 -1.031 -3.478) 3.628 7.441 ( -0.000 7.414 -1.432) 7.551 8.047 ( -0.000 8.511 3.209) 9.096 9.043 ( 0.000 -12.064 -12.004) 17.019======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( 0.790 1.805 0.944) 2.185 2.665 ( 8.411 6.153 -1.104) 10.480 3.581 ( 1.570 1.028 4.469) 4.847 5.298 ( 5.900 4.235 -0.912) 7.320 6.186 ( -0.318 -3.385 -3.360) 4.780 6.480 ( -0.256 1.700 -1.543) 2.310 6.511 ( 4.875 3.541 1.314) 6.167 6.684 ( 2.917 1.917 4.662) 5.824 6.772 ( 4.808 -0.943 0.397) 4.916 7.465 ( -2.494 4.006 -2.652) 5.413 8.125 ( -5.174 11.046 0.038) 12.198 8.837 ( -5.219 -10.098 -7.987) 13.893======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 1.475 2.024 2.015) 3.215 2.906 ( 13.291 4.349 -2.192) 14.155 3.631 ( 1.663 -1.104 5.184) 5.555 5.489 ( 11.698 3.453 0.176) 12.198 6.154 ( 0.767 -1.314 -2.496) 2.923 6.492 ( -0.617 2.773 0.134) 2.844 6.598 ( 3.418 -0.706 2.055) 4.050 6.829 ( 5.376 4.963 2.585) 7.760 6.891 ( 11.567 -1.982 0.852) 11.767 7.428 ( -4.435 2.686 -2.317) 5.679 8.034 ( -12.205 3.060 -5.167) 13.602 8.652 ( -6.595 -1.979 -1.597) 7.069======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 1.747 1.867 2.241) 3.400 3.171 ( 13.907 1.769 -2.516) 14.243 3.640 ( -0.611 -2.695 4.088) 4.934 5.753 ( 15.375 -0.404 1.000) 15.413 6.178 ( 2.379 2.697 -0.706) 3.665 6.510 ( -1.062 2.785 1.142) 3.191 6.652 ( 3.158 -1.163 1.396) 3.643 6.926 ( 2.172 -0.264 3.927) 4.495 7.126 ( 13.699 1.279 -3.328) 14.155 7.354 ( -5.358 1.278 0.589) 5.539 7.794 ( -11.952 -1.278 -4.702) 12.907 8.525 ( -8.794 2.279 -0.070) 9.085======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 1.544 1.426 1.681) 2.691 3.359 ( 8.627 -7.197 -0.565) 11.249 3.609 ( -0.952 2.315 0.769) 2.619 5.957 ( 12.802 -10.304 0.176) 16.435 6.307 ( 4.794 9.611 1.566) 10.854 6.499 ( -5.213 2.469 2.226) 6.183 6.678 ( 1.856 -1.747 -4.344) 5.037 6.946 ( 0.938 -1.815 4.159) 4.634 7.211 ( -2.948 -2.082 4.268) 5.589 7.403 ( 9.183 1.280 -2.778) 9.679 7.604 ( -7.843 -0.142 -2.254) 8.162 8.396 ( -8.091 3.227 -0.510) 8.726======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( -0.000 2.012 2.677) 3.349 2.627 ( -0.000 2.754 -1.187) 2.999 3.593 ( -0.000 0.251 5.885) 5.890 5.276 ( -0.000 2.700 -0.896) 2.845 6.150 ( 0.000 -1.204 -3.573) 3.771 6.470 ( 0.000 -0.863 -3.521) 3.626 6.520 ( -0.000 4.451 1.243) 4.621 6.678 ( -0.000 -1.877 7.341) 7.578 6.746 ( -0.000 2.678 2.963) 3.994 7.496 ( 0.000 1.360 -3.851) 4.084 8.278 ( 0.000 7.110 -6.103) 9.370 8.776 ( 0.000 -3.551 -2.382) 4.276======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 0.647 2.042 3.717) 4.290 2.717 ( 9.043 0.099 -1.811) 9.224 3.624 ( 0.684 -0.466 6.670) 6.721 5.350 ( 6.460 1.171 -0.215) 6.569 6.140 ( 0.047 1.613 -2.952) 3.364 6.469 ( 4.072 -3.757 -3.733) 6.681 6.582 ( 0.651 5.430 3.035) 6.255 6.716 ( 4.720 -3.098 5.937) 8.193 6.821 ( 2.751 3.426 4.340) 6.176 7.477 ( -1.545 0.559 -4.005) 4.329 8.176 ( -6.769 -6.337 -10.349) 13.895 8.780 ( -4.526 9.448 2.214) 10.707======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 1.085 1.397 3.703) 4.104 2.904 ( 14.041 -2.979 -2.359) 14.546 3.643 ( -0.210 -1.519 5.727) 5.929 5.505 ( 11.097 -2.306 0.655) 11.353 6.177 ( 2.167 4.759 -1.447) 5.426 6.490 ( 3.101 -3.273 -1.855) 4.875 6.662 ( 0.065 4.823 6.120) 7.793 6.830 ( 10.131 -5.346 3.498) 11.977 6.927 ( 5.289 3.132 0.862) 6.207 7.420 ( -3.324 -1.577 -2.332) 4.356 7.927 ( -8.483 -6.954 -7.692) 13.397 8.766 ( -10.539 11.361 1.093) 15.536======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 1.403 0.483 2.872) 3.233 3.087 ( 12.928 -8.352 -1.407) 15.455 3.634 ( -0.563 -0.730 2.629) 2.786 5.653 ( 11.007 -8.373 0.409) 13.835 6.316 ( 5.793 8.532 1.262) 10.389 6.496 ( 2.652 -3.585 -2.324) 5.029 6.711 ( -2.679 3.816 5.752) 7.404 6.899 ( 2.847 -5.111 4.076) 7.130 7.114 ( 12.789 0.449 -3.261) 13.205 7.310 ( -3.999 -6.592 2.545) 8.119 7.734 ( -6.380 -0.348 -5.227) 8.255 8.656 ( -13.911 10.109 0.149) 17.197======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( -0.000 1.673 4.646) 4.938 2.613 ( 0.000 -3.049 -1.661) 3.472 3.642 ( -0.000 -0.443 7.684) 7.697 5.297 ( 0.000 -0.310 -0.151) 0.345 6.161 ( 0.000 4.152 -2.914) 5.072 6.343 ( 0.000 -6.618 -5.772) 8.781 6.631 ( -0.000 0.253 4.330) 4.338 6.700 ( -0.000 1.953 8.567) 8.787 6.845 ( -0.000 2.896 4.181) 5.086 7.476 ( 0.000 -0.170 -4.751) 4.754 8.084 ( 0.000 -12.945 -10.117) 16.429 8.972 ( -0.000 16.131 1.806) 16.232======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 0.232 0.279 4.458) 4.473 2.643 ( 8.966 -6.052 -1.853) 10.975 3.658 ( -0.457 -1.718 7.163) 7.381 5.336 ( 5.696 -2.716 0.363) 6.321 6.183 ( 0.535 2.811 -2.675) 3.917 6.343 ( 7.168 -4.139 -4.035) 9.208 6.651 ( 4.011 -4.137 3.631) 6.811 6.761 ( -1.146 4.502 8.267) 9.483 6.904 ( 2.286 1.699 3.241) 4.315 7.431 ( -1.845 -2.976 -3.776) 5.150 7.904 ( -2.860 -9.177 -6.979) 11.879 9.075 ( -7.443 15.922 -0.197) 17.577======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 0.918 -1.547 3.355) 3.807 2.758 ( 13.012 -9.893 -1.591) 16.423 3.640 ( -0.943 -3.209 4.684) 5.756 5.415 ( 7.955 -6.701 0.342) 10.407 6.260 ( 6.677 1.298 -0.813) 6.850 6.401 ( 3.760 -2.656 -2.104) 5.062 6.732 ( 9.271 -6.528 2.684) 11.652 6.811 ( -0.936 4.264 6.457) 7.794 6.972 ( 3.427 1.077 0.793) 3.679 7.322 ( -3.989 -6.699 0.346) 7.804 7.781 ( -3.012 -0.738 -4.791) 5.707 9.033 ( -13.963 14.161 -1.087) 19.916======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( -0.000 -1.786 4.510) 4.851 2.481 ( 0.000 -8.931 -1.560) 9.067 3.666 ( -0.000 -3.612 7.315) 8.158 5.255 ( 0.000 -4.152 0.383) 4.170 6.169 ( 0.000 -6.329 -3.517) 7.241 6.224 ( 0.000 2.120 -3.680) 4.247 6.587 ( -0.000 -5.422 4.078) 6.784 6.859 ( -0.000 5.365 7.625) 9.323 6.896 ( -0.000 -0.253 2.260) 2.275 7.394 ( 0.000 -5.329 -2.457) 5.868 7.840 ( 0.000 -2.937 -4.485) 5.361 9.300 ( -0.000 16.001 -2.531) 16.200======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 0.010 -4.596 3.529) 5.795 2.451 ( 8.531 -11.970 -1.183) 14.746 3.629 ( -0.933 -6.727 5.539) 8.764 5.243 ( 4.276 -6.802 0.227) 8.037 6.135 ( 3.969 -4.476 -1.233) 6.108 6.264 ( 6.507 -5.078 -4.421) 9.363 6.569 ( 3.165 -5.657 3.299) 7.273 6.871 ( -1.237 0.253 2.650) 2.936 6.967 ( 1.780 4.206 4.524) 6.428 7.320 ( -2.139 -4.428 1.384) 5.109 7.819 ( -1.556 3.760 -2.930) 5.014 9.369 ( -8.257 14.643 -3.977) 17.275======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 0.000 -8.026 3.534) 8.770 2.234 ( 0.000 -14.754 -0.775) 14.774 3.565 ( 0.000 -11.710 4.424) 12.518 5.132 ( 0.000 -8.074 0.031) 8.074 6.067 ( 0.000 -2.516 0.854) 2.657 6.074 ( 0.000 -14.343 -5.396) 15.324 6.504 ( -0.000 -5.250 2.848) 5.972 6.870 ( 0.000 -2.997 -0.003) 2.997 7.031 ( -0.000 7.065 5.363) 8.870 7.327 ( -0.000 0.695 3.457) 3.527 7.884 ( -0.000 7.521 -1.688) 7.708 9.565 ( 0.000 13.761 -6.654) 15.286======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( -0.000 0.000 17.864) 17.864 0.697 ( -0.000 0.000 17.864) 17.864 1.245 ( -0.000 0.000 33.777) 33.777 4.613 ( -0.000 0.000 3.237) 3.237 4.613 ( -0.000 0.000 3.237) 3.237 5.879 ( 0.000 -0.000 -8.463) 8.463 5.879 ( 0.000 -0.000 -8.463) 8.463 6.824 ( -0.000 0.000 5.360) 5.360 6.824 ( -0.000 0.000 5.360) 5.360 7.869 ( 0.000 -0.000 -15.216) 15.216 8.806 ( -0.000 0.000 8.781) 8.781 10.799 ( -0.000 0.000 0.618) 0.618======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 13.594 7.849 16.274) 22.611 0.948 ( 12.045 6.954 13.462) 19.356 1.512 ( 13.578 7.839 22.091) 27.089 4.624 ( 1.042 0.601 2.783) 3.032 4.755 ( 9.622 5.556 4.193) 11.876 5.956 ( 5.550 3.204 -7.816) 10.108 5.970 ( 11.743 6.780 -11.175) 17.571 6.796 ( -2.681 -1.548 4.779) 5.694 6.819 ( -2.079 -1.200 5.330) 5.845 7.818 ( -0.407 -0.235 -16.188) 16.194 8.897 ( 2.671 1.542 7.277) 7.904 10.506 ( -21.863 -12.623 4.459) 25.636======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 11.015 6.360 14.033) 18.939 1.307 ( 14.898 8.601 8.297) 19.098 2.014 ( 24.106 13.918 6.084) 28.492 4.686 ( 3.589 2.072 2.349) 4.764 5.069 ( 15.310 8.839 6.666) 18.893 6.071 ( 6.567 3.792 -7.215) 10.467 6.221 ( 11.197 6.465 -7.538) 14.966 6.766 ( -3.911 -2.258 4.600) 6.446 6.786 ( 1.712 0.989 0.370) 2.012 7.724 ( -2.644 -1.526 -14.763) 15.076 8.897 ( -5.989 -3.458 9.716) 11.925 9.955 ( -25.045 -14.460 -0.755) 28.929======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 9.638 5.564 6.143) 12.712 1.677 ( 14.712 8.494 4.350) 17.536 2.609 ( 25.406 14.668 -0.104) 29.336 4.804 ( 5.802 3.350 1.683) 6.908 5.479 ( 16.808 9.704 8.340) 21.124 6.197 ( 6.098 3.521 -5.929) 9.205 6.382 ( 4.090 2.361 -1.574) 4.978 6.684 ( -3.945 -2.278 3.286) 5.617 6.888 ( 7.091 4.094 -5.746) 10.003 7.596 ( -4.137 -2.388 -11.398) 12.358 8.709 ( -12.724 -7.346 13.732) 20.111 9.377 ( -22.656 -13.080 -10.227) 28.088======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 8.078 4.664 -0.693) 9.354 2.008 ( 12.733 7.352 2.022) 14.842 3.159 ( 21.945 12.670 -1.985) 25.418 4.953 ( 6.351 3.666 0.483) 7.349 5.865 ( 13.093 7.559 7.861) 17.041 6.291 ( 2.809 1.622 -1.853) 3.735 6.433 ( 1.461 0.843 -1.081) 2.003 6.638 ( 0.122 0.070 0.200) 0.244 6.998 ( 3.503 2.022 -8.469) 9.385 7.451 ( -5.452 -3.148 -6.083) 8.754 8.491 ( -9.477 -5.472 15.490) 18.965 8.852 ( -17.750 -10.248 -15.545) 25.724======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 5.504 3.178 -4.157) 7.594 2.275 ( 9.789 5.652 1.313) 11.380 3.590 ( 15.901 9.181 -4.023) 18.797 5.087 ( 5.086 2.936 -0.636) 5.907 6.094 ( 3.335 1.926 5.698) 6.877 6.313 ( -0.646 -0.373 3.514) 3.592 6.459 ( 2.194 1.267 -3.653) 4.446 6.697 ( 4.890 2.823 -3.420) 6.602 6.999 ( 0.566 0.327 -8.010) 8.036 7.330 ( -3.060 -1.766 -0.415) 3.557 8.276 ( -14.869 -8.585 3.784) 17.581 8.590 ( 0.326 0.188 -3.478) 3.498======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 3.248 1.875 -4.910) 6.178 2.466 ( 6.185 3.571 1.530) 7.303 3.848 ( 8.117 4.687 -8.006) 12.327 5.183 ( 3.530 2.038 -0.535) 4.111 6.070 ( -4.430 -2.558 3.396) 6.140 6.305 ( -1.383 -0.799 5.722) 5.941 6.541 ( 6.018 3.474 -5.591) 8.919 6.806 ( 5.203 3.004 -4.382) 7.436 6.997 ( 1.155 0.667 -6.731) 6.861 7.313 ( 0.211 0.122 3.401) 3.409 7.980 ( -9.914 -5.724 5.053) 12.513 8.666 ( 4.469 2.580 0.453) 5.180======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 2.195 1.267 -4.401) 5.079 2.569 ( 2.048 1.183 1.858) 3.008 3.915 ( 1.355 0.782 -11.554) 11.659 5.251 ( 2.295 1.325 0.401) 2.680 6.017 ( -0.327 -0.189 3.874) 3.892 6.284 ( -2.495 -1.440 5.816) 6.490 6.668 ( 6.310 3.643 -6.272) 9.614 6.890 ( 3.273 1.890 -4.157) 5.618 6.973 ( -1.286 -0.742 -8.510) 8.638 7.321 ( -0.685 -0.395 4.957) 5.020 7.883 ( -2.659 -1.535 13.306) 13.655 8.776 ( 5.566 3.213 -0.569) 6.452======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 1.283 0.740 -3.828) 4.105 2.572 ( -2.472 -1.427 1.890) 3.424 3.859 ( -1.992 -1.150 -11.237) 11.470 5.286 ( 0.302 0.175 0.778) 0.853 6.082 ( 4.086 2.359 4.126) 6.268 6.226 ( -4.138 -2.389 4.450) 6.529 6.738 ( -0.434 -0.251 -4.654) 4.681 6.906 ( 0.461 0.266 -9.509) 9.524 6.926 ( 0.996 0.575 -3.027) 3.238 7.346 ( 0.946 0.546 6.299) 6.393 7.857 ( -4.348 -2.511 9.801) 11.012 8.956 ( 10.075 5.817 2.961) 12.004======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( -1.738 -1.003 -3.718) 4.225 2.464 ( -7.454 -4.304 1.484) 8.734 3.750 ( -4.598 -2.655 -7.952) 9.561 5.256 ( -3.361 -1.940 0.254) 3.889 6.138 ( -4.086 -2.359 2.131) 5.177 6.180 ( 1.153 0.665 4.256) 4.459 6.631 ( -5.380 -3.106 -3.694) 7.227 6.917 ( -1.064 -0.615 -1.409) 1.870 6.935 ( 3.458 1.997 -6.247) 7.414 7.368 ( -1.472 -0.850 2.345) 2.896 7.798 ( -0.591 -0.341 2.821) 2.902 9.248 ( 12.778 7.377 6.930) 16.301======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -0.000 8.810 13.543) 16.156 1.077 ( -0.000 15.954 17.302) 23.535 1.612 ( -0.000 15.109 19.958) 25.032 4.681 ( -0.000 2.872 3.998) 4.922 4.723 ( -0.000 9.305 3.314) 9.878 5.761 ( 0.000 -1.051 -8.582) 8.646 6.042 ( 0.000 14.295 -8.316) 16.538 6.801 ( -0.000 -4.470 5.012) 6.716 6.850 ( -0.000 -1.290 4.582) 4.760 7.758 ( 0.000 -0.959 -15.352) 15.382 8.924 ( -0.000 2.918 7.047) 7.627 10.557 ( 0.000 -19.818 2.459) 19.970======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 12.852 10.619 9.834) 19.356 1.326 ( 4.180 11.469 17.164) 21.062 1.927 ( 9.574 21.406 6.986) 24.468 4.708 ( -0.580 4.840 3.264) 5.866 4.960 ( 10.754 11.568 5.294) 16.658 5.852 ( 12.056 -0.103 -8.081) 14.514 6.182 ( 3.338 12.502 -6.236) 14.364 6.768 ( -0.503 -2.654 2.385) 3.603 6.832 ( -2.058 -1.242 3.754) 4.458 7.678 ( -0.942 -2.605 -14.159) 14.427 8.948 ( -1.514 -4.018 8.219) 9.273 10.192 ( -17.941 -18.037 -0.441) 25.444======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 8.522 8.064 8.496) 14.486 1.586 ( 9.646 11.398 8.100) 16.987 2.403 ( 17.861 21.381 -0.338) 27.862 4.791 ( 2.380 6.197 2.585) 7.124 5.333 ( 15.054 11.971 6.674) 20.358 6.050 ( 11.507 2.216 -6.428) 13.366 6.332 ( 4.067 5.838 -2.046) 7.403 6.742 ( -2.310 -1.417 1.399) 3.050 6.819 ( 1.899 1.885 -1.740) 3.192 7.573 ( -1.989 -3.680 -11.699) 12.424 8.828 ( -6.942 -11.710 11.485) 17.811 9.644 ( -24.333 -12.698 -7.263) 28.391======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 6.062 5.473 2.471) 8.533 1.918 ( 10.653 12.720 2.965) 16.854 2.928 ( 19.916 17.019 -1.942) 26.269 4.924 ( 3.945 7.190 1.452) 8.328 5.732 ( 14.710 9.536 6.080) 18.555 6.228 ( 6.795 4.580 -3.455) 8.893 6.412 ( 2.078 1.396 -0.036) 2.503 6.682 ( -3.466 0.328 1.611) 3.836 6.903 ( 5.447 1.823 -7.698) 9.605 7.453 ( -2.766 -4.798 -7.818) 9.581 8.609 ( -7.639 -12.608 14.490) 20.671 9.077 ( -23.855 -8.209 -13.001) 28.381======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 5.311 3.863 -2.631) 7.075 2.215 ( 8.212 11.900 1.518) 14.538 3.390 ( 17.030 11.739 -2.935) 20.891 5.067 ( 3.472 7.482 0.057) 8.248 6.040 ( 8.952 5.083 4.394) 11.193 6.340 ( 1.613 4.035 1.592) 4.627 6.450 ( 0.350 2.234 -2.140) 3.113 6.668 ( 0.358 2.754 -0.699) 2.864 6.946 ( 2.536 -0.038 -9.176) 9.520 7.334 ( -2.087 -5.080 -2.871) 6.197 8.435 ( -9.701 -10.554 9.948) 17.449 8.626 ( -10.620 -2.699 -8.465) 13.846======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 3.849 2.369 -4.613) 6.458 2.448 ( 4.986 10.513 1.544) 11.737 3.709 ( 10.727 6.169 -5.732) 13.638 5.189 ( 1.905 7.884 -0.610) 8.134 6.138 ( -2.358 0.074 3.118) 3.910 6.390 ( -2.340 4.783 4.676) 7.086 6.468 ( 2.552 2.516 -4.464) 5.724 6.735 ( 3.918 2.823 -2.934) 5.651 6.968 ( 2.196 2.902 -7.790) 8.598 7.292 ( 2.119 -2.554 1.786) 3.769 8.108 ( -12.492 -8.293 0.469) 15.002 8.608 ( 3.915 -0.684 3.792) 5.493======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( 2.683 1.580 -4.692) 5.631 2.604 ( 0.876 8.909 2.095) 9.193 3.840 ( 3.650 1.368 -9.387) 10.164 5.287 ( -0.069 8.535 -0.389) 8.544 6.066 ( -4.050 -0.190 3.089) 5.097 6.397 ( -4.825 5.358 5.684) 9.182 6.563 ( 6.352 2.981 -5.838) 9.128 6.816 ( 4.273 1.004 -3.046) 5.343 6.987 ( -1.344 3.673 -8.587) 9.436 7.335 ( 1.702 -0.288 4.254) 4.591 7.926 ( -2.152 -5.763 9.423) 11.253 8.688 ( 5.224 -1.095 0.840) 5.403======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( 1.945 1.158 -4.227) 4.795 2.668 ( -3.974 7.121 2.431) 8.509 3.823 ( -0.412 -1.333 -10.660) 10.751 5.346 ( -2.543 7.361 0.051) 7.788 6.067 ( 1.562 2.209 3.527) 4.445 6.365 ( -7.016 4.682 5.023) 9.816 6.679 ( 5.355 2.284 -5.268) 7.852 6.870 ( 1.674 0.472 -5.445) 5.716 6.932 ( -3.054 2.030 -6.847) 7.767 7.367 ( 0.229 0.706 5.241) 5.293 7.911 ( -0.980 -5.792 12.644) 13.941 8.806 ( 10.261 -0.134 0.107) 10.263======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 0.140 -0.075 -3.929) 3.932 2.621 ( -9.282 4.689 2.099) 10.609 3.746 ( -1.925 -2.642 -8.642) 9.239 5.338 ( -5.134 3.885 0.049) 6.439 6.154 ( 1.965 2.790 2.624) 4.305 6.298 ( -6.949 5.084 3.960) 9.477 6.691 ( -4.731 0.283 -3.569) 5.933 6.852 ( 2.549 0.342 -7.981) 8.385 6.936 ( 0.473 2.172 -2.473) 3.326 7.388 ( -0.679 -1.266 4.040) 4.288 7.831 ( -3.853 -5.195 6.252) 8.995 9.054 ( 16.133 1.028 3.532) 16.548======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -0.000 15.299 8.700) 17.599 1.463 ( -0.000 8.390 18.509) 20.322 2.109 ( -0.000 25.954 1.241) 25.984 4.777 ( -0.000 3.797 3.317) 5.042 5.024 ( -0.000 17.254 5.363) 18.069 5.728 ( 0.000 3.202 -5.576) 6.430 6.257 ( -0.000 10.745 -3.266) 11.231 6.754 ( 0.000 -1.838 0.448) 1.892 6.844 ( -0.000 -1.929 2.858) 3.448 7.606 ( 0.000 -3.645 -12.432) 12.955 8.931 ( -0.000 -9.266 8.770) 12.758 10.155 ( 0.000 -18.131 -4.697) 18.730======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 8.472 14.975 6.340) 18.336 1.613 ( 2.870 6.326 13.083) 14.813 2.430 ( 6.727 26.256 -2.779) 27.246 4.838 ( 1.155 5.504 2.769) 6.269 5.294 ( 7.239 17.438 5.495) 19.664 5.858 ( 10.625 5.175 -3.299) 12.270 6.351 ( 0.966 6.283 0.221) 6.360 6.744 ( 0.247 0.549 -3.117) 3.174 6.824 ( -0.854 -1.328 1.312) 2.053 7.515 ( -0.916 -4.507 -10.030) 11.034 8.811 ( -2.927 -16.586 10.102) 19.640 9.834 ( -14.502 -13.191 -9.562) 21.812======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 2.828 5.804 4.388) 7.806 1.886 ( 10.778 14.268 4.484) 18.435 2.829 ( 12.224 21.700 -2.927) 25.077 4.951 ( 3.061 7.524 2.123) 8.396 5.630 ( 10.776 13.930 3.206) 17.901 6.120 ( 11.411 7.676 -0.637) 13.767 6.408 ( 0.569 1.872 2.387) 3.087 6.736 ( -1.346 1.073 -2.552) 3.078 6.821 ( 2.088 0.267 -4.012) 4.531 7.410 ( -1.798 -5.585 -7.052) 9.174 8.602 ( -4.016 -18.438 11.640) 22.171 9.361 ( -21.906 -8.065 -13.084) 26.761======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 3.502 3.989 -0.850) 5.376 2.217 ( 8.603 15.024 2.027) 17.431 3.240 ( 14.024 15.234 -2.127) 20.815 5.098 ( 3.396 8.945 0.954) 9.615 5.946 ( 10.278 9.865 0.963) 14.279 6.348 ( 4.560 6.586 2.356) 8.350 6.451 ( 2.038 3.146 0.365) 3.766 6.713 ( -1.818 2.145 -1.722) 3.297 6.851 ( 3.654 -0.848 -7.282) 8.191 7.294 ( -1.896 -6.517 -3.672) 7.717 8.436 ( -1.159 -14.399 13.159) 19.540 8.856 ( -21.815 -4.236 -13.530) 26.018======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 3.478 2.729 -3.451) 5.608 2.496 ( 5.511 14.691 1.455) 15.758 3.575 ( 11.028 8.740 -2.941) 14.375 5.248 ( 2.469 10.400 -0.111) 10.690 6.157 ( 3.751 5.527 0.111) 6.681 6.425 ( 0.452 2.017 1.093) 2.338 6.529 ( -0.746 6.953 0.739) 7.032 6.715 ( 0.649 2.291 -2.443) 3.411 6.903 ( 5.331 2.556 -6.582) 8.847 7.216 ( 1.402 -5.072 -0.462) 5.282 8.249 ( -12.194 -11.317 2.839) 16.877 8.567 ( -1.956 -1.698 -0.373) 2.617======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 2.877 2.017 -4.035) 5.350 2.710 ( 1.803 13.951 2.094) 14.222 3.759 ( 4.977 3.035 -5.552) 8.050 5.391 ( 0.844 12.546 -0.769) 12.597 6.166 ( -5.428 1.427 0.716) 5.658 6.466 ( 3.477 1.601 -3.015) 4.872 6.581 ( -3.356 9.043 3.042) 10.114 6.757 ( 2.829 1.286 -1.260) 3.353 7.010 ( 2.121 6.673 -7.407) 10.193 7.254 ( 7.030 -3.129 3.227) 8.345 7.958 ( -8.165 -8.176 2.966) 11.929 8.590 ( 3.998 -3.690 3.132) 6.277======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 2.186 1.763 -3.840) 4.758 2.846 ( -3.008 12.916 2.983) 13.593 3.781 ( -0.027 -0.878 -7.789) 7.838 5.504 ( -3.201 13.160 -1.211) 13.598 6.101 ( -2.242 1.732 2.055) 3.499 6.517 ( -0.804 1.703 -0.612) 1.980 6.626 ( 0.615 6.904 -1.724) 7.143 6.833 ( 3.047 3.265 0.751) 4.529 7.010 ( -4.976 4.553 -7.767) 10.287 7.363 ( 3.827 -0.060 3.194) 4.985 7.858 ( 2.344 -8.344 9.582) 12.920 8.635 ( 6.150 -4.526 0.408) 7.647======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( 0.959 1.192 -3.642) 3.950 2.874 ( -9.083 10.689 2.978) 14.340 3.716 ( -1.355 -2.559 -7.380) 7.928 5.513 ( -7.868 8.683 -0.755) 11.742 6.160 ( 3.135 5.572 1.551) 6.579 6.470 ( -5.737 1.807 1.868) 6.298 6.722 ( 4.219 4.302 -4.645) 7.608 6.875 ( -7.578 5.470 -4.340) 10.305 6.939 ( 0.358 1.936 -1.450) 2.445 7.394 ( -0.237 -1.490 2.195) 2.664 7.838 ( -0.605 -8.573 8.346) 11.980 8.768 ( 14.582 -4.051 0.733) 15.152======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( -0.000 17.797 5.285) 18.565 1.684 ( -0.000 3.474 10.517) 11.076 2.631 ( -0.000 26.398 -4.238) 26.736 4.877 ( -0.000 4.501 1.424) 4.720 5.470 ( -0.000 22.020 6.742) 23.029 5.812 ( -0.000 7.247 -0.506) 7.265 6.404 ( -0.000 3.832 3.011) 4.874 6.735 ( 0.000 1.656 -5.905) 6.133 6.819 ( 0.000 -1.676 0.420) 1.728 7.443 ( 0.000 -5.079 -7.394) 8.971 8.678 ( 0.000 -21.320 8.955) 23.124 9.793 ( 0.000 -11.463 -13.022) 17.349======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 0.185 4.111 4.353) 5.990 1.875 ( 8.564 15.839 4.164) 18.481 2.905 ( 4.401 22.863 -3.384) 23.527 4.962 ( 3.507 5.530 0.925) 6.613 5.707 ( 0.946 19.058 3.800) 19.456 6.012 ( 10.891 10.230 2.691) 15.183 6.439 ( -0.440 1.299 4.635) 4.833 6.732 ( 0.408 1.568 -7.887) 8.052 6.800 ( -0.205 -1.072 -0.914) 1.424 7.358 ( -1.192 -5.741 -4.553) 7.424 8.477 ( -0.995 -21.394 8.364) 22.992 9.528 ( -12.149 -8.643 -15.056) 21.189======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 1.468 3.154 0.032) 3.479 2.215 ( 10.148 15.602 2.086) 18.729 3.207 ( 7.915 17.148 -1.480) 18.944 5.108 ( 5.375 7.039 0.662) 8.881 5.934 ( 4.870 14.615 0.330) 15.409 6.317 ( 9.170 9.245 3.152) 13.398 6.465 ( 0.367 2.561 4.076) 4.828 6.713 ( 0.501 -1.011 -8.421) 8.496 6.793 ( 0.668 0.494 -1.432) 1.655 7.255 ( -2.261 -5.776 -2.105) 6.551 8.315 ( 1.197 -16.672 9.421) 19.186 9.121 ( -18.975 -5.826 -14.997) 24.877======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 2.400 2.652 -2.099) 4.147 2.536 ( 8.183 15.331 0.853) 17.399 3.493 ( 8.700 10.667 -0.506) 13.774 5.284 ( 5.285 9.075 0.309) 10.506 6.146 ( 4.972 9.361 -1.917) 10.771 6.461 ( 0.089 3.133 4.054) 5.124 6.575 ( 3.595 7.210 -0.015) 8.057 6.687 ( 2.575 -1.515 -5.634) 6.377 6.835 ( 2.486 3.574 -2.052) 4.812 7.166 ( -1.309 -3.824 -0.726) 4.107 8.232 ( 0.693 -13.901 9.065) 16.610 8.705 ( -16.152 -2.101 -10.844) 19.567======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 2.607 2.337 -2.625) 4.376 2.808 ( 5.104 15.141 1.050) 16.013 3.692 ( 5.381 4.479 -1.657) 7.195 5.474 ( 4.341 12.126 -0.166) 12.881 6.253 ( -0.212 4.409 -2.160) 4.915 6.452 ( -2.013 0.520 -0.654) 2.179 6.706 ( 1.109 8.607 0.635) 8.702 6.734 ( 2.074 2.593 0.119) 3.323 6.942 ( 8.141 3.019 -2.528) 9.043 7.145 ( 1.735 -0.823 -0.565) 2.001 8.043 ( -9.121 -10.851 1.965) 14.310 8.525 ( -1.114 -2.636 0.030) 2.862======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( 2.270 2.262 -2.600) 4.127 3.019 ( 1.020 14.779 2.245) 14.983 3.750 ( 0.384 -0.554 -3.953) 4.010 5.668 ( 1.625 15.380 -1.041) 15.500 6.205 ( -6.785 2.309 -0.282) 7.173 6.469 ( 3.455 0.726 -2.316) 4.223 6.705 ( -2.820 1.616 -2.143) 3.893 6.855 ( 2.021 7.521 4.217) 8.856 7.113 ( 0.739 8.163 -5.752) 10.014 7.211 ( 10.523 -3.220 3.405) 11.519 7.817 ( -5.369 -8.053 3.073) 10.154 8.510 ( 2.639 -5.849 1.602) 6.614======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 1.410 2.026 -2.685) 3.647 3.139 ( -5.371 13.252 3.135) 14.639 3.691 ( -1.725 -3.313 -5.105) 6.326 5.766 ( -8.379 13.019 -1.514) 15.556 6.170 ( 1.440 4.557 0.612) 4.818 6.522 ( 1.241 0.483 -1.104) 1.729 6.677 ( 0.370 0.591 -3.011) 3.091 6.951 ( 0.633 2.793 0.194) 2.871 7.107 ( -7.532 10.601 -0.484) 13.013 7.358 ( 4.477 -1.911 -0.180) 4.871 7.735 ( 3.095 -9.073 5.911) 11.262 8.522 ( 7.031 -6.711 0.507) 9.733======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -0.000 2.017 2.334) 3.085 1.976 ( -0.000 16.988 2.677) 17.197 3.078 ( -0.000 20.133 -2.238) 20.257 4.981 ( -0.000 5.394 -0.115) 5.395 5.955 ( -0.000 20.337 4.369) 20.801 5.996 ( -0.000 9.467 3.821) 10.209 6.474 ( -0.000 0.875 6.212) 6.273 6.707 ( 0.000 -0.073 -9.021) 9.022 6.785 ( 0.000 -1.029 -2.209) 2.437 7.303 ( 0.000 -4.928 -1.557) 5.168 8.298 ( 0.000 -19.473 5.953) 20.363 9.488 ( 0.000 -8.623 -16.567) 18.677======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 0.423 2.150 -0.085) 2.193 2.216 ( 7.403 15.206 1.447) 16.975 3.279 ( 2.940 15.508 -0.147) 15.784 5.078 ( 4.607 5.885 -0.366) 7.482 6.057 ( -1.474 13.067 1.875) 13.283 6.262 ( 8.812 9.680 3.139) 13.461 6.514 ( -0.109 3.471 6.664) 7.514 6.653 ( -0.136 -3.852 -8.764) 9.574 6.777 ( 1.226 0.171 -2.723) 2.991 7.249 ( -1.989 -1.847 0.454) 2.752 8.160 ( 1.300 -13.969 5.727) 15.153 9.252 ( -10.056 -7.632 -16.437) 20.725======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 1.324 2.356 -0.915) 2.853 2.522 ( 10.123 13.790 0.063) 17.106 3.482 ( 5.047 10.136 1.656) 11.444 5.248 ( 7.518 6.877 -0.192) 10.191 6.171 ( 1.522 7.774 -1.403) 8.045 6.476 ( 5.991 5.097 4.951) 9.294 6.549 ( 0.301 -2.842 -5.989) 6.636 6.624 ( 2.716 3.249 1.623) 4.535 6.828 ( 3.500 3.863 -1.939) 5.562 7.198 ( -4.205 1.722 0.556) 4.578 8.098 ( 2.258 -10.496 6.229) 12.412 8.905 ( -14.666 -5.196 -13.552) 20.633======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 1.970 2.500 -0.790) 3.279 2.827 ( 9.334 13.250 -0.608) 16.219 3.651 ( 4.561 4.557 1.827) 6.702 5.470 ( 8.570 9.346 0.187) 12.682 6.248 ( 2.821 2.197 -1.880) 4.040 6.478 ( -0.986 -2.790 -2.727) 4.024 6.660 ( 6.727 2.648 2.559) 7.669 6.743 ( 4.466 6.663 1.851) 8.231 6.934 ( 0.897 7.818 -2.693) 8.317 7.148 ( -2.797 2.372 -0.406) 3.689 8.023 ( -1.744 -11.173 3.307) 11.782 8.603 ( -10.221 -2.024 -6.281) 12.167======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 2.047 2.594 -0.678) 3.373 3.099 ( 6.759 13.095 0.036) 14.736 3.725 ( 0.934 -0.709 0.163) 1.184 5.726 ( 7.778 12.919 0.031) 15.080 6.304 ( 1.104 1.542 -0.915) 2.106 6.429 ( -0.982 -1.713 -0.731) 2.106 6.749 ( 0.657 0.244 -0.429) 0.822 6.937 ( 4.869 9.568 2.847) 11.107 6.952 ( 1.125 1.108 -0.857) 1.797 7.195 ( 2.734 5.816 -2.036) 6.742 7.849 ( -5.623 -9.314 0.690) 10.902 8.461 ( -3.013 -3.488 -0.303) 4.619======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 1.525 2.449 -1.004) 3.055 3.315 ( 2.118 12.920 1.556) 13.184 3.672 ( -2.615 -5.120 -2.036) 6.099 5.976 ( 2.919 15.504 -0.795) 15.797 6.253 ( -7.464 2.483 -0.066) 7.866 6.444 ( 5.112 -2.642 -1.451) 5.934 6.712 ( -3.205 0.101 1.521) 3.549 6.964 ( 0.285 1.267 -1.078) 1.688 7.160 ( 10.030 0.722 -2.004) 10.253 7.295 ( 1.067 7.878 2.506) 8.336 7.686 ( -4.170 -6.259 0.771) 7.560 8.393 ( 0.707 -6.100 0.618) 6.172======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -0.000 1.936 -0.262) 1.953 2.296 ( -0.000 13.385 0.606) 13.399 3.396 ( -0.000 11.704 1.867) 11.852 5.090 ( -0.000 5.760 -0.806) 5.816 6.225 ( -0.000 9.403 5.397) 10.842 6.240 ( -0.000 5.598 -1.110) 5.707 6.563 ( 0.000 -4.499 -6.722) 8.088 6.593 ( -0.000 2.976 6.746) 7.373 6.745 ( 0.000 -0.636 -3.890) 3.942 7.287 ( -0.000 4.496 1.286) 4.676 8.056 ( -0.000 -7.573 4.117) 8.619 9.194 ( 0.000 -8.623 -16.599) 18.705======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 0.595 2.239 0.314) 2.338 2.486 ( 7.387 11.148 -0.455) 13.381 3.521 ( 2.086 7.418 3.827) 8.604 5.191 ( 5.272 5.735 -0.755) 7.826 6.221 ( -1.727 1.556 -1.520) 2.778 6.419 ( 7.314 5.751 3.454) 9.925 6.481 ( 0.071 -4.126 -5.897) 7.198 6.656 ( -0.192 3.089 5.198) 6.049 6.772 ( 4.435 1.054 -0.812) 4.630 7.325 ( -3.369 7.492 -0.233) 8.218 8.028 ( -0.062 -2.179 3.495) 4.120 8.982 ( -7.386 -7.916 -14.214) 17.867======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 1.254 2.576 1.180) 3.099 2.754 ( 11.291 9.717 -1.656) 14.988 3.638 ( 2.980 3.228 4.771) 6.485 5.382 ( 9.840 6.540 -0.044) 11.815 6.201 ( 1.264 -2.570 -2.367) 3.716 6.449 ( -0.025 0.163 -2.180) 2.187 6.599 ( 5.846 2.217 2.725) 6.821 6.728 ( 4.029 4.987 1.685) 6.629 6.897 ( 7.327 2.415 1.467) 7.853 7.309 ( -6.698 7.486 -1.760) 10.198 7.991 ( -3.600 -2.660 0.396) 4.493 8.721 ( -9.197 -4.687 -8.174) 13.167======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 1.575 2.730 1.480) 3.482 3.044 ( 11.727 9.002 -2.135) 14.937 3.706 ( 1.143 -0.978 3.966) 4.241 5.658 ( 12.625 8.569 0.822) 15.280 6.209 ( 4.309 -4.101 -0.997) 6.032 6.454 ( -0.886 2.304 0.432) 2.506 6.684 ( 3.545 -1.209 1.629) 4.084 6.881 ( 5.034 5.104 0.269) 7.173 7.073 ( 7.456 4.751 0.860) 8.883 7.242 ( -7.755 7.561 -2.156) 11.043 7.847 ( -6.048 -6.534 -2.158) 9.161 8.531 ( -7.318 -1.787 -2.214) 7.851======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -0.000 2.403 1.781) 2.991 2.512 ( -0.000 8.198 -0.870) 8.244 3.580 ( -0.000 4.237 5.899) 7.262 5.193 ( -0.000 4.906 -1.004) 5.008 6.208 ( 0.000 -4.991 -3.980) 6.383 6.415 ( -0.000 5.450 1.481) 5.648 6.453 ( 0.000 1.371 -2.062) 2.476 6.717 ( 0.000 0.771 -1.237) 1.458 6.719 ( -0.000 1.070 8.690) 8.755 7.419 ( -0.000 5.642 -2.606) 6.215 8.072 ( -0.000 6.667 1.058) 6.751 8.908 ( 0.000 -8.706 -12.124) 14.926======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.589 2.646 2.994) 4.039 2.649 ( 8.018 5.844 -1.737) 10.073 3.646 ( 1.327 1.587 7.248) 7.537 5.289 ( 6.290 4.361 -0.589) 7.676 6.146 ( 0.170 -3.359 -3.829) 5.096 6.475 ( -0.385 3.314 0.707) 3.410 6.505 ( 5.840 1.533 -2.134) 6.404 6.734 ( 1.005 2.930 4.279) 5.282 6.807 ( 4.991 -0.009 5.981) 7.790 7.429 ( -2.045 3.215 -3.851) 5.417 8.100 ( -5.526 6.554 -4.593) 9.726 8.759 ( -4.172 -4.905 -5.919) 8.747======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 0.994 2.649 3.308) 4.353 2.878 ( 12.964 4.165 -2.806) 13.903 3.698 ( 0.789 -0.963 7.010) 7.120 5.494 ( 12.307 3.671 0.671) 12.861 6.126 ( 1.550 -0.976 -2.456) 3.064 6.502 ( -0.446 2.647 1.519) 3.084 6.614 ( 5.006 0.467 0.928) 5.113 6.840 ( 5.434 4.839 -0.355) 7.285 6.931 ( 7.702 -1.913 6.095) 10.006 7.398 ( -3.249 2.805 -3.044) 5.262 7.959 ( -10.750 0.215 -8.340) 13.608 8.640 ( -6.588 1.269 -0.683) 6.744======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -0.000 2.708 4.217) 5.011 2.611 ( 0.000 2.600 -1.720) 3.117 3.676 ( -0.000 0.460 9.031) 9.043 5.266 ( -0.000 2.945 -0.876) 3.073 6.108 ( 0.000 -0.607 -4.124) 4.168 6.418 ( 0.000 -2.708 -5.674) 6.287 6.548 ( -0.000 6.166 3.820) 7.254 6.769 ( -0.000 -2.264 9.054) 9.332 6.789 ( -0.000 4.041 4.549) 6.085 7.445 ( 0.000 1.033 -5.336) 5.435 8.178 ( 0.000 1.540 -11.587) 11.689 8.765 ( -0.000 2.858 -0.019) 2.858======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 0.341 2.397 4.411) 5.032 2.694 ( 8.624 0.120 -2.318) 8.931 3.712 ( 0.079 -0.762 9.254) 9.286 5.347 ( 6.951 1.470 -0.197) 7.107 6.105 ( 0.499 2.141 -3.388) 4.039 6.420 ( 6.212 -4.173 -4.943) 8.969 6.624 ( 0.062 6.330 4.521) 7.779 6.794 ( 2.300 -2.083 7.688) 8.291 6.870 ( 2.660 2.326 4.772) 5.938 7.425 ( -0.760 0.629 -5.208) 5.300 8.050 ( -5.634 -5.580 -12.329) 14.659 8.800 ( -4.981 9.904 1.203) 11.152======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( -0.000 1.745 4.619) 4.938 2.593 ( 0.000 -2.976 -1.943) 3.554 3.741 ( -0.000 -1.206 10.074) 10.146 5.293 ( 0.000 0.149 -0.501) 0.523 6.125 ( 0.000 4.535 -3.594) 5.786 6.281 ( 0.000 -5.908 -5.396) 8.001 6.683 ( -0.000 0.203 5.059) 5.063 6.800 ( -0.000 1.501 9.521) 9.638 6.889 ( -0.000 2.104 3.744) 4.295 7.416 ( 0.000 0.435 -6.095) 6.110 7.970 ( 0.000 -9.410 -10.496) 14.097 8.978 ( -0.000 14.413 -0.777) 14.434======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -0.000 0.000 14.478) 14.478 0.875 ( -0.000 0.000 14.478) 14.478 1.592 ( -0.000 0.000 28.912) 28.912 4.652 ( -0.000 0.000 3.749) 3.749 4.652 ( -0.000 0.000 3.749) 3.749 5.784 ( 0.000 -0.000 -8.687) 8.687 5.784 ( 0.000 -0.000 -8.687) 8.687 6.882 ( -0.000 0.000 5.083) 5.083 6.882 ( -0.000 0.000 5.083) 5.083 7.707 ( 0.000 -0.000 -14.100) 14.100 8.893 ( -0.000 0.000 7.003) 7.003 10.806 ( -0.000 0.000 0.647) 0.647======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 10.073 5.815 10.536) 15.693 1.104 ( 14.403 8.315 14.445) 22.028 1.743 ( 5.715 3.299 19.495) 20.581 4.658 ( 0.740 0.427 3.335) 3.443 4.806 ( 10.413 6.012 4.804) 12.948 5.854 ( 11.212 6.473 -9.532) 16.077 5.865 ( 5.838 3.371 -8.649) 10.966 6.848 ( -3.472 -2.005 4.462) 5.999 6.875 ( -2.236 -1.291 4.778) 5.431 7.652 ( -0.635 -0.367 -13.863) 13.883 8.971 ( 2.806 1.620 5.998) 6.817 10.541 ( -21.206 -12.243 2.240) 24.588======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 13.171 7.604 5.957) 16.333 1.450 ( 8.346 4.819 16.106) 18.769 2.067 ( 19.480 11.247 3.264) 22.730 4.715 ( 3.245 1.873 2.818) 4.688 5.144 ( 16.276 9.397 6.572) 19.910 5.984 ( 7.016 4.051 -8.490) 11.735 6.136 ( 13.846 7.994 -7.360) 17.601 6.797 ( -1.182 -0.683 1.267) 1.863 6.815 ( -4.222 -2.437 4.092) 6.364 7.573 ( -1.930 -1.114 -12.493) 12.690 8.993 ( -3.835 -2.214 7.666) 8.853 9.947 ( -28.635 -16.532 -0.571) 33.069======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 5.115 2.953 8.185) 10.093 1.715 ( 13.622 7.865 2.599) 15.943 2.602 ( 24.508 14.150 -1.348) 28.331 4.824 ( 5.261 3.037 1.915) 6.369 5.566 ( 17.078 9.860 7.097) 20.958 6.120 ( 7.235 4.177 -7.699) 11.361 6.363 ( 6.178 3.567 -1.527) 7.295 6.723 ( -4.532 -2.617 3.531) 6.313 6.826 ( 4.269 2.465 -5.495) 7.382 7.479 ( -2.513 -1.451 -9.600) 10.029 8.854 ( -10.405 -6.007 12.261) 17.166 9.278 ( -26.770 -15.456 -7.399) 31.784======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 5.222 3.015 0.435) 6.045 2.025 ( 12.376 7.145 1.037) 14.329 3.134 ( 21.323 12.311 -2.536) 24.752 4.959 ( 5.687 3.283 0.567) 6.591 5.945 ( 12.707 7.336 6.272) 15.957 6.252 ( 5.813 3.356 -4.965) 8.349 6.429 ( 0.677 0.391 0.654) 1.019 6.654 ( -1.859 -1.073 2.365) 3.194 6.896 ( 3.010 1.738 -10.020) 10.606 7.388 ( -2.996 -1.730 -5.262) 6.298 8.649 ( -13.929 -8.042 4.754) 16.771 8.718 ( -14.320 -8.268 -0.454) 16.542======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 4.391 2.535 -3.611) 6.224 2.288 ( 9.921 5.728 1.008) 11.500 3.540 ( 14.475 8.357 -5.052) 17.461 5.082 ( 4.823 2.785 -0.318) 5.578 6.155 ( 2.469 1.426 5.141) 5.879 6.338 ( 2.162 1.248 0.730) 2.601 6.428 ( 0.363 0.210 -1.614) 1.667 6.670 ( 3.037 1.753 -1.220) 3.713 6.904 ( 1.816 1.049 -9.246) 9.481 7.325 ( -0.718 -0.415 -0.672) 1.068 8.251 ( -13.507 -7.798 -6.512) 16.902 8.649 ( -0.618 -0.357 12.161) 12.182======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 3.190 1.842 -4.820) 6.066 2.484 ( 6.402 3.696 1.569) 7.558 3.754 ( 6.280 3.626 -8.929) 11.503 5.181 ( 3.807 2.198 0.026) 4.396 6.112 ( -4.809 -2.777 4.238) 6.986 6.366 ( -0.462 -0.267 5.008) 5.036 6.484 ( 5.043 2.912 -4.372) 7.282 6.759 ( 4.753 2.744 -4.081) 6.839 6.915 ( 1.120 0.647 -8.264) 8.364 7.349 ( 1.404 0.810 3.327) 3.701 8.033 ( -4.373 -2.525 4.307) 6.637 8.699 ( 1.448 0.836 5.523) 5.771======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 2.480 1.432 -4.774) 5.567 2.590 ( 2.132 1.231 1.959) 3.146 3.788 ( 0.741 0.428 -11.182) 11.215 5.257 ( 2.537 1.465 0.707) 3.013 6.061 ( -0.251 -0.145 4.204) 4.214 6.351 ( -2.732 -1.577 6.231) 6.984 6.601 ( 6.189 3.573 -5.691) 9.135 6.841 ( 3.606 2.082 -4.715) 6.290 6.872 ( -1.923 -1.111 -9.526) 9.781 7.382 ( 0.248 0.143 5.883) 5.890 8.035 ( -1.253 -0.724 13.848) 13.923 8.769 ( 5.118 2.955 -0.620) 5.942======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -0.000 7.034 11.507) 13.487 1.243 ( -0.000 19.378 12.724) 23.182 1.819 ( -0.000 4.938 17.255) 17.948 4.724 ( -0.000 2.795 3.659) 4.605 4.765 ( -0.000 9.717 4.315) 10.632 5.676 ( 0.000 -0.367 -6.791) 6.801 5.945 ( 0.000 15.554 -8.916) 17.928 6.855 ( -0.000 -5.338 4.605) 7.050 6.897 ( -0.000 -1.843 3.950) 4.359 7.602 ( 0.000 -0.952 -12.820) 12.856 8.994 ( -0.000 3.309 5.516) 6.433 10.574 ( 0.000 -20.581 0.834) 20.598======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( 11.602 9.240 8.158) 16.928 1.510 ( 3.064 13.000 15.940) 20.796 1.986 ( 6.786 13.524 3.667) 15.569 4.744 ( -0.896 4.807 3.274) 5.884 5.019 ( 11.510 11.793 5.124) 17.257 5.774 ( 11.289 1.320 -5.794) 12.757 6.105 ( 3.641 15.558 -7.396) 17.607 6.798 ( -1.469 -4.765 2.803) 5.720 6.870 ( -2.184 -2.162 3.078) 4.349 7.536 ( -0.826 -1.839 -11.457) 11.633 9.029 ( -0.712 -2.172 6.303) 6.705 10.181 ( -18.300 -21.956 -1.326) 28.613======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 9.837 8.241 5.742) 14.059 1.685 ( 2.954 7.338 9.940) 12.704 2.388 ( 17.827 19.874 -2.370) 26.803 4.820 ( 1.850 6.095 2.646) 6.897 5.397 ( 15.717 11.089 4.724) 19.807 5.985 ( 10.790 4.564 -5.164) 12.803 6.304 ( 5.603 9.382 -2.877) 11.300 6.748 ( -0.420 -2.903 -0.267) 2.946 6.815 ( -2.413 -0.597 0.670) 2.574 7.457 ( -1.399 -2.389 -9.183) 9.591 8.946 ( -5.116 -9.644 9.619) 14.550 9.569 ( -25.961 -17.380 -6.045) 31.821======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( 3.201 2.802 3.271) 5.366 1.944 ( 9.449 12.794 1.634) 15.988 2.904 ( 19.918 16.713 -2.297) 26.102 4.939 ( 3.177 6.962 1.407) 7.781 5.784 ( 15.403 7.661 3.082) 17.477 6.186 ( 6.887 8.013 -3.874) 11.254 6.422 ( 1.786 1.942 1.923) 3.264 6.700 ( -2.608 -1.207 1.305) 3.156 6.818 ( 2.904 1.233 -7.461) 8.101 7.376 ( -1.445 -3.247 -5.938) 6.921 8.767 ( -6.511 -11.905 13.037) 18.817 8.948 ( -24.362 -10.834 -9.247) 28.220======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 3.592 2.657 -1.691) 4.778 2.228 ( 8.044 12.187 0.864) 14.628 3.355 ( 15.967 11.581 -3.414) 20.018 5.068 ( 2.889 7.301 0.141) 7.853 6.076 ( 9.894 3.328 2.061) 10.641 6.344 ( 2.869 7.536 -0.781) 8.101 6.445 ( -1.083 0.759 1.494) 1.995 6.670 ( -0.770 1.098 0.792) 1.558 6.842 ( 2.547 0.990 -9.516) 9.900 7.304 ( -0.267 -3.700 -2.533) 4.492 8.419 ( -18.389 -7.041 -9.110) 21.696 8.682 ( -1.106 -7.217 14.752) 16.460======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 3.191 2.186 -3.829) 5.443 2.465 ( 5.183 10.887 1.401) 12.138 3.642 ( 8.647 6.063 -6.339) 12.317 5.185 ( 1.909 7.742 -0.203) 7.976 6.172 ( -1.571 -1.237 2.994) 3.601 6.425 ( 1.392 2.539 0.289) 2.909 6.439 ( -1.460 5.049 0.679) 5.300 6.707 ( 2.745 2.573 -1.945) 4.236 6.880 ( 2.266 3.449 -8.010) 9.011 7.309 ( 4.124 -1.369 1.274) 4.528 8.096 ( -8.403 -5.076 -2.264) 10.075 8.690 ( 1.656 -4.119 10.556) 11.451======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 2.545 1.832 -4.326) 5.343 2.628 ( 0.960 9.357 2.091) 9.636 3.737 ( 1.883 1.754 -9.068) 9.426 5.285 ( 0.343 8.073 0.124) 8.081 6.104 ( -3.408 -0.905 3.684) 5.099 6.456 ( -3.912 4.622 4.727) 7.682 6.509 ( 5.206 3.083 -3.669) 7.076 6.778 ( 3.419 2.110 -3.757) 5.500 6.891 ( -1.879 3.657 -8.614) 9.545 7.383 ( 2.650 -0.191 4.378) 5.121 8.027 ( 3.155 -4.065 8.410) 9.859 8.709 ( 2.233 -2.869 3.089) 4.771======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -0.000 13.560 7.867) 15.677 1.662 ( -0.000 7.092 17.270) 18.670 2.099 ( -0.000 20.898 -3.052) 21.120 4.807 ( -0.000 3.273 1.930) 3.799 5.089 ( -0.000 18.030 6.166) 19.055 5.685 ( -0.000 4.674 -2.106) 5.127 6.207 ( -0.000 14.837 -5.604) 15.860 6.768 ( 0.000 -5.191 1.848) 5.510 6.871 ( -0.000 -2.844 2.037) 3.498 7.483 ( 0.000 -2.387 -9.658) 9.949 9.018 ( -0.000 -7.174 6.830) 9.905 10.097 ( 0.000 -23.136 -5.654) 23.817======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 8.000 13.855 5.480) 16.911 1.751 ( 0.273 1.846 11.479) 11.630 2.388 ( 7.274 25.759 -4.479) 27.139 4.864 ( 1.625 4.885 1.716) 5.427 5.351 ( 6.004 17.283 4.727) 18.897 5.841 ( 10.153 7.317 0.201) 12.516 6.340 ( 1.494 10.809 -2.157) 11.123 6.720 ( -0.353 -3.365 -1.113) 3.562 6.836 ( -1.238 -2.495 0.807) 2.900 7.419 ( -0.818 -2.804 -7.392) 7.948 8.916 ( -1.997 -15.459 8.977) 17.987 9.722 ( -14.526 -17.693 -10.390) 25.139======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 1.157 3.243 3.624) 4.999 1.930 ( 9.149 13.135 3.235) 16.331 2.798 ( 12.842 21.974 -2.583) 25.582 4.972 ( 2.997 6.972 1.511) 7.738 5.655 ( 9.973 12.868 1.318) 16.334 6.123 ( 10.374 10.040 0.986) 14.470 6.437 ( 0.656 3.992 2.706) 4.868 6.691 ( 0.787 -0.933 -4.916) 5.065 6.796 ( -0.972 -0.901 -1.004) 1.663 7.344 ( -1.446 -3.764 -4.773) 6.248 8.732 ( -2.289 -18.950 12.025) 22.559 9.214 ( -21.633 -10.330 -13.331) 27.430======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 2.018 2.469 -0.313) 3.204 2.235 ( 8.119 14.919 1.125) 17.022 3.218 ( 13.691 15.698 -1.839) 20.911 5.107 ( 2.927 8.641 0.653) 9.147 5.949 ( 10.474 8.859 -0.327) 13.722 6.365 ( 5.018 9.394 0.781) 10.679 6.475 ( -0.044 1.714 3.847) 4.211 6.679 ( 0.540 -0.390 -4.872) 4.917 6.788 ( 1.089 0.951 -3.485) 3.773 7.260 ( -1.277 -5.061 -2.435) 5.759 8.577 ( -3.555 -15.388 10.403) 18.912 8.722 ( -16.880 -5.070 -8.763) 19.683======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( 2.591 2.408 -2.274) 4.206 2.510 ( 5.780 14.801 1.108) 15.929 3.541 ( 9.432 9.278 -3.212) 13.615 5.247 ( 2.092 10.304 -0.094) 10.514 6.157 ( 4.779 4.330 -0.044) 6.449 6.443 ( -1.966 0.734 2.523) 3.281 6.538 ( 0.428 8.137 0.251) 8.152 6.687 ( 1.776 1.504 -2.768) 3.616 6.841 ( 3.919 4.345 -4.220) 7.215 7.211 ( 2.714 -4.175 -0.510) 5.006 8.233 ( -15.085 -7.111 -4.743) 17.338 8.625 ( 3.147 -7.190 9.773) 12.535======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 2.365 2.294 -2.959) 4.428 2.733 ( 2.276 14.233 2.028) 14.556 3.696 ( 2.919 3.783 -5.662) 7.409 5.385 ( 0.692 12.217 -0.438) 12.245 6.179 ( -4.048 0.330 1.614) 4.371 6.442 ( 2.127 1.060 -0.926) 2.550 6.607 ( -2.698 7.505 1.189) 8.063 6.744 ( 2.790 3.755 -1.224) 4.836 6.936 ( 0.484 6.959 -5.572) 8.928 7.286 ( 8.475 -2.495 2.514) 9.186 7.984 ( -4.219 -6.480 1.587) 7.894 8.642 ( 2.528 -6.562 6.135) 9.332======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( -0.000 16.380 4.793) 17.067 1.784 ( -0.000 -1.010 7.230) 7.300 2.585 ( -0.000 27.161 -3.837) 27.431 4.886 ( -0.000 4.080 0.160) 4.083 5.543 ( -0.000 21.712 6.363) 22.625 5.825 ( -0.000 8.595 2.820) 9.045 6.426 ( -0.000 8.325 0.568) 8.344 6.684 ( 0.000 -2.680 -2.863) 3.922 6.819 ( 0.000 -2.816 -0.441) 2.850 7.375 ( 0.000 -2.979 -4.950) 5.777 8.775 ( 0.000 -21.944 8.660) 23.591 9.638 ( 0.000 -14.231 -14.814) 20.542======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -0.733 1.839 2.284) 3.023 1.917 ( 8.171 14.082 3.269) 16.606 2.876 ( 4.704 23.910 -1.831) 24.437 4.967 ( 3.931 5.061 0.084) 6.409 5.746 ( -0.840 18.013 3.287) 18.330 6.051 ( 10.504 11.272 4.205) 15.971 6.492 ( -0.592 3.740 4.393) 5.799 6.651 ( 0.264 -1.049 -6.045) 6.141 6.788 ( -0.061 -1.954 -1.372) 2.388 7.319 ( -1.285 -3.554 -2.436) 4.496 8.572 ( 0.179 -22.967 9.032) 24.680 9.353 ( -11.630 -9.759 -16.716) 22.582======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 0.687 1.940 -0.053) 2.058 2.234 ( 9.677 14.813 1.258) 17.739 3.197 ( 7.921 18.250 -0.223) 19.896 5.113 ( 5.625 6.610 0.202) 8.682 5.937 ( 3.634 13.920 0.371) 14.391 6.347 ( 8.610 9.681 2.264) 13.152 6.521 ( -1.057 2.066 5.526) 5.993 6.625 ( 1.013 -1.381 -7.125) 7.328 6.779 ( 0.781 0.424 -1.098) 1.413 7.240 ( -2.512 -4.122 -0.667) 4.872 8.425 ( 2.959 -18.555 10.602) 21.574 8.951 ( -17.571 -5.688 -15.665) 24.218======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 1.729 2.499 -0.781) 3.138 2.543 ( 8.351 14.854 0.333) 17.044 3.489 ( 7.686 11.714 -0.184) 14.012 5.286 ( 5.200 8.962 0.106) 10.362 6.130 ( 4.786 8.479 -0.792) 9.769 6.506 ( -1.982 1.014 3.740) 4.352 6.563 ( 4.815 5.639 -2.380) 7.788 6.646 ( 3.309 3.028 -1.679) 4.789 6.818 ( 1.871 3.326 -0.852) 3.910 7.160 ( -1.547 -3.205 -0.238) 3.567 8.318 ( -3.335 -15.680 5.386) 16.911 8.605 ( -8.893 -1.698 -6.046) 10.887======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 1.944 2.700 -1.045) 3.487 2.819 ( 5.920 14.843 0.888) 16.004 3.672 ( 3.488 5.495 -1.913) 6.784 5.472 ( 3.984 12.155 -0.232) 12.793 6.239 ( 0.366 3.808 -0.254) 3.834 6.455 ( -2.639 -0.860 1.191) 3.020 6.688 ( 0.324 5.577 -2.416) 6.086 6.751 ( 3.373 7.573 0.884) 8.337 6.921 ( 6.881 4.118 -0.652) 8.046 7.144 ( 2.825 -1.642 0.288) 3.280 8.048 ( -9.892 -9.358 -1.030) 13.656 8.546 ( 2.156 -5.530 3.746) 7.018======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -0.000 0.250 0.587) 0.638 2.003 ( -0.000 15.855 2.159) 16.002 3.066 ( -0.000 21.481 0.049) 21.481 4.978 ( -0.000 5.169 -0.423) 5.186 5.994 ( -0.000 17.969 2.602) 18.156 6.048 ( -0.000 10.084 5.550) 11.510 6.550 ( -0.000 2.415 6.150) 6.607 6.615 ( 0.000 -1.427 -6.135) 6.299 6.757 ( 0.000 -2.022 -2.878) 3.517 7.295 ( 0.000 -2.789 0.107) 2.791 8.369 ( 0.000 -21.159 6.949) 22.271 9.294 ( 0.000 -8.747 -18.467) 20.434======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 0.182 1.709 0.048) 1.720 2.229 ( 7.189 14.230 0.822) 15.965 3.289 ( 2.874 16.939 1.891) 17.285 5.074 ( 4.796 5.648 -0.347) 7.418 6.075 ( -2.752 12.136 1.392) 12.522 6.295 ( 8.563 8.764 2.990) 12.613 6.552 ( -0.220 -2.828 -6.102) 6.730 6.606 ( -0.813 2.536 6.431) 6.961 6.749 ( 2.096 -0.142 -2.174) 3.023 7.260 ( -2.345 -0.860 1.360) 2.844 8.230 ( 2.434 -15.608 7.065) 17.305 9.062 ( -9.161 -6.790 -17.796) 21.136======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 0.991 2.677 0.646) 2.926 2.519 ( 9.990 12.993 -0.524) 16.398 3.507 ( 4.420 11.492 2.768) 12.620 5.246 ( 7.783 6.788 -0.029) 10.328 6.159 ( 0.933 6.913 -0.579) 7.000 6.484 ( 1.988 -2.400 -4.806) 5.728 6.524 ( 5.811 4.243 2.767) 7.708 6.653 ( 0.725 3.932 3.109) 5.064 6.817 ( 3.257 4.325 0.254) 5.420 7.205 ( -4.622 1.309 0.610) 4.843 8.168 ( 2.748 -13.320 6.421) 15.041 8.756 ( -12.093 -3.036 -13.213) 18.167======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( -0.000 2.295 0.923) 2.474 2.299 ( -0.000 12.598 0.050) 12.598 3.430 ( -0.000 13.191 4.129) 13.822 5.083 ( -0.000 5.521 -0.468) 5.541 6.226 ( -0.000 4.405 -1.585) 4.682 6.283 ( -0.000 8.603 4.846) 9.874 6.482 ( 0.000 -5.027 -6.384) 8.125 6.691 ( -0.000 4.379 9.577) 10.531 6.704 ( 0.000 -0.499 -3.484) 3.519 7.302 ( -0.000 3.348 1.305) 3.593 8.107 ( -0.000 -8.932 5.254) 10.363 9.004 ( 0.000 -6.826 -17.604) 18.881======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 0.447 2.976 2.240) 3.752 2.478 ( 7.110 10.488 -0.999) 12.710 3.574 ( 1.687 8.818 5.678) 10.623 5.185 ( 5.524 5.581 -0.285) 7.857 6.201 ( -1.413 -0.525 -2.209) 2.674 6.433 ( 0.594 -0.042 -2.112) 2.195 6.446 ( 6.757 3.339 0.575) 7.559 6.691 ( -0.231 2.084 1.425) 2.536 6.800 ( 3.579 3.277 5.852) 7.603 7.320 ( -3.301 5.274 -0.772) 6.270 8.065 ( 0.022 -4.962 3.146) 5.875 8.826 ( -6.045 -4.760 -13.680) 15.695======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.000 3.183 3.709) 4.887 2.500 ( -0.000 7.767 -1.333) 7.880 3.658 ( -0.000 5.487 8.122) 9.802 5.184 ( -0.000 4.694 -0.562) 4.727 6.161 ( 0.000 -5.589 -4.438) 7.137 6.409 ( 0.000 1.948 -2.508) 3.176 6.451 ( -0.000 4.024 1.552) 4.313 6.723 ( -0.000 3.642 2.137) 4.223 6.818 ( -0.000 1.040 9.135) 9.194 7.386 ( 0.000 3.581 -3.245) 4.833 8.068 ( 0.000 1.960 -1.792) 2.655 8.785 ( 0.000 -3.848 -9.823) 10.550======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -0.000 0.000 10.605) 10.605 1.014 ( -0.000 0.000 10.605) 10.605 1.875 ( -0.000 0.000 22.396) 22.396 4.693 ( -0.000 0.000 3.685) 3.685 4.693 ( -0.000 0.000 3.685) 3.685 5.693 ( 0.000 -0.000 -7.688) 7.688 5.693 ( 0.000 -0.000 -7.688) 7.688 6.934 ( -0.000 0.000 4.132) 4.132 6.934 ( -0.000 0.000 4.132) 4.132 7.564 ( 0.000 -0.000 -11.599) 11.599 8.960 ( -0.000 0.000 5.068) 5.068 10.813 ( -0.000 0.000 0.563) 0.563======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 8.527 4.923 6.802) 11.967 1.246 ( 16.061 9.273 11.228) 21.680 1.934 ( -0.387 -0.223 14.781) 14.787 4.696 ( 0.530 0.306 3.530) 3.583 4.856 ( 11.133 6.428 3.955) 13.450 5.766 ( 10.914 6.301 -6.394) 14.132 5.770 ( 5.686 3.283 -8.363) 10.632 6.892 ( -3.967 -2.290 3.462) 5.742 6.921 ( -2.362 -1.364 3.581) 4.501 7.516 ( -0.735 -0.424 -10.641) 10.674 9.028 ( 2.980 1.721 4.332) 5.533 10.559 ( -20.856 -12.041 1.149) 24.109======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 11.875 6.856 2.903) 14.016 1.628 ( 7.390 4.267 16.086) 18.210 2.082 ( 15.224 8.789 -0.614) 17.590 4.747 ( 2.872 1.658 3.036) 4.496 5.206 ( 16.919 9.768 4.200) 19.982 5.888 ( 7.126 4.114 -8.649) 11.938 6.071 ( 15.229 8.793 -4.086) 18.054 6.810 ( -3.290 -1.900 0.950) 3.916 6.854 ( -4.285 -2.474 3.016) 5.795 7.453 ( -1.475 -0.851 -9.030) 9.189 9.064 ( -2.174 -1.255 5.197) 5.772 9.944 ( -30.572 -17.651 0.212) 35.302======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( 0.724 0.418 8.299) 8.341 1.732 ( 13.004 7.508 0.458) 15.023 2.581 ( 24.416 14.097 -2.220) 28.281 4.846 ( 4.645 2.682 1.960) 5.710 5.626 ( 17.342 10.012 3.469) 20.323 6.032 ( 7.892 4.556 -8.163) 12.235 6.356 ( 8.449 4.878 0.540) 9.771 6.759 ( -4.497 -2.596 3.054) 6.024 6.768 ( 0.622 0.359 -5.104) 5.155 7.390 ( -1.421 -0.820 -6.408) 6.615 8.956 ( -9.001 -5.197 4.576) 11.356 9.236 ( -28.361 -16.374 1.432) 32.780======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 2.387 1.378 1.262) 3.032 2.030 ( 12.450 7.188 -0.127) 14.377 3.104 ( 20.607 11.898 -2.732) 23.952 4.965 ( 5.086 2.937 0.613) 5.905 5.997 ( 12.876 7.434 2.961) 15.160 6.188 ( 7.669 4.428 -6.427) 10.942 6.454 ( 0.274 0.158 3.937) 3.950 6.686 ( -2.569 -1.483 3.272) 4.417 6.781 ( 2.210 1.276 -10.572) 10.876 7.338 ( -1.550 -0.895 -3.756) 4.161 8.556 ( -19.733 -11.393 -10.250) 24.985 8.880 ( -8.481 -4.896 18.300) 20.756======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 3.059 1.766 -2.355) 4.245 2.297 ( 10.318 5.957 0.523) 11.926 3.482 ( 12.899 7.447 -5.219) 15.782 5.080 ( 4.722 2.726 0.069) 5.453 6.201 ( 2.882 1.664 3.142) 4.577 6.326 ( 5.423 3.131 -2.731) 6.831 6.432 ( -2.189 -1.264 2.531) 3.577 6.674 ( 0.750 0.433 1.728) 1.933 6.799 ( 2.988 1.725 -9.779) 10.370 7.315 ( 1.299 0.750 -1.061) 1.838 8.173 ( -9.908 -5.720 -6.769) 13.293 8.814 ( -3.827 -2.210 16.736) 17.310======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -0.000 6.394 8.604) 10.720 1.354 ( -0.000 21.851 7.438) 23.082 1.984 ( -0.000 -2.401 12.534) 12.762 4.758 ( -0.000 2.384 2.293) 3.308 4.815 ( -0.000 10.525 4.505) 11.449 5.617 ( 0.000 0.951 -3.679) 3.800 5.850 ( 0.000 15.731 -8.193) 17.737 6.899 ( -0.000 -5.568 3.345) 6.496 6.935 ( -0.000 -2.312 2.859) 3.677 7.480 ( 0.000 -0.901 -9.252) 9.296 9.045 ( -0.000 3.613 3.673) 5.152 10.579 ( 0.000 -21.635 0.096) 21.635======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 9.646 9.038 5.320) 14.249 1.668 ( 5.247 17.330 12.344) 21.915 2.008 ( 3.154 4.252 0.355) 5.306 4.777 ( -0.564 4.321 2.579) 5.064 5.067 ( 11.179 12.284 3.430) 16.960 5.728 ( 9.618 3.316 -2.559) 10.490 6.027 ( 4.653 16.835 -6.398) 18.601 6.826 ( -2.321 -5.691 2.101) 6.495 6.898 ( -2.178 -2.870 2.002) 4.122 7.430 ( -0.754 -1.355 -7.634) 7.790 9.086 ( -0.055 -0.621 4.018) 4.066 10.166 ( -18.058 -25.308 -1.276) 31.116======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 9.775 10.018 1.993) 14.138 1.795 ( -1.669 1.953 9.245) 9.595 2.355 ( 18.881 19.834 -3.308) 27.583 4.847 ( 1.574 5.729 2.274) 6.362 5.431 ( 15.664 10.365 1.193) 18.820 5.937 ( 8.542 7.746 -3.720) 12.116 6.278 ( 8.055 11.214 -1.382) 13.876 6.740 ( -1.572 -4.236 -0.950) 4.617 6.826 ( -3.506 -2.076 1.170) 4.239 7.375 ( -0.986 -1.565 -5.415) 5.723 9.031 ( -4.202 -6.585 5.309) 9.445 9.521 ( -25.365 -22.509 -2.095) 33.977======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 1.295 0.525 2.679) 3.022 1.953 ( 8.449 13.078 0.033) 15.569 2.880 ( 19.797 16.659 -1.875) 25.941 4.954 ( 2.561 6.630 1.164) 7.202 5.797 ( 15.983 6.536 -0.519) 17.276 6.144 ( 5.916 11.219 -3.839) 13.252 6.456 ( 2.821 2.908 4.143) 5.795 6.690 ( 0.581 -2.315 -4.476) 5.073 6.762 ( -2.277 0.299 -1.166) 2.576 7.325 ( -0.855 -2.393 -3.222) 4.103 8.782 ( -20.109 -9.122 -8.835) 23.783 8.986 ( -8.726 -15.264 14.703) 22.920======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( 2.121 1.531 -0.652) 2.696 2.233 ( 8.223 12.704 0.013) 15.133 3.318 ( 14.644 11.349 -3.165) 18.795 5.070 ( 2.540 7.116 0.252) 7.559 6.085 ( 11.057 2.847 -0.255) 11.421 6.326 ( 3.261 10.346 -2.382) 11.106 6.483 ( -2.347 -0.594 5.255) 5.786 6.671 ( 0.892 -0.972 -2.318) 2.667 6.752 ( 0.739 2.861 -4.929) 5.747 7.279 ( 0.596 -2.796 -2.050) 3.517 8.317 ( -16.743 -5.784 -8.762) 19.763 8.866 ( -1.171 -9.805 17.695) 20.264======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( -0.000 12.605 6.040) 13.978 1.836 ( -0.000 7.376 14.122) 15.932 2.041 ( -0.000 16.464 -7.361) 18.035 4.817 ( -0.000 2.852 -0.073) 2.853 5.155 ( -0.000 18.744 5.760) 19.609 5.684 ( -0.000 6.145 1.897) 6.431 6.141 ( -0.000 17.307 -6.072) 18.341 6.790 ( 0.000 -6.659 1.958) 6.941 6.887 ( 0.000 -3.673 0.960) 3.796 7.397 ( 0.000 -1.584 -5.802) 6.015 9.080 ( -0.000 -4.768 4.309) 6.427 10.036 ( 0.000 -28.314 -5.249) 28.797======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 6.985 13.316 3.632) 15.469 1.852 ( -1.068 -2.704 5.955) 6.627 2.341 ( 8.106 27.276 -3.381) 28.655 4.874 ( 2.548 4.315 0.167) 5.014 5.396 ( 3.849 17.446 3.466) 18.199 5.859 ( 9.069 9.069 2.935) 13.157 6.308 ( 2.604 13.957 -3.217) 14.558 6.718 ( -1.397 -5.622 0.590) 5.822 6.841 ( -1.186 -3.412 0.021) 3.612 7.357 ( -0.733 -1.716 -3.695) 4.140 9.004 ( -1.087 -12.632 6.641) 14.312 9.613 ( -13.857 -23.598 -9.125) 28.847======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 0.594 1.563 1.422) 2.195 1.955 ( 7.725 12.517 1.196) 14.758 2.777 ( 13.146 22.530 -1.058) 26.106 4.983 ( 3.308 6.419 0.551) 7.243 5.662 ( 8.527 12.963 0.242) 15.518 6.135 ( 8.384 11.690 0.763) 14.406 6.462 ( 2.679 6.733 1.473) 7.395 6.646 ( -0.809 -3.496 -2.572) 4.415 6.790 ( -1.331 -1.609 -0.193) 2.097 7.308 ( -1.349 -2.701 -1.698) 3.464 8.857 ( -1.657 -16.462 9.261) 18.960 9.079 ( -19.200 -15.419 -9.778) 26.495======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 1.261 1.476 0.024) 1.941 2.241 ( 7.891 15.202 -0.081) 17.128 3.202 ( 12.900 16.037 -1.016) 20.606 5.112 ( 2.743 8.357 0.256) 8.799 5.943 ( 10.412 9.069 -0.640) 13.823 6.365 ( 4.644 11.205 -0.845) 12.159 6.529 ( -0.609 0.755 5.152) 5.243 6.613 ( 1.598 -0.806 -5.856) 6.123 6.772 ( -0.316 1.263 0.027) 1.302 7.241 ( -1.397 -4.277 -0.917) 4.592 8.545 ( -19.272 -6.909 -10.718) 23.109 8.782 ( 2.122 -15.698 14.330) 21.361======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( -0.000 15.380 3.541) 15.782 1.831 ( 0.000 -3.730 0.963) 3.853 2.555 ( -0.000 28.467 -1.205) 28.492 4.881 ( -0.000 4.170 -0.986) 4.285 5.605 ( -0.000 21.102 4.618) 21.602 5.872 ( -0.000 9.319 5.641) 10.894 6.412 ( -0.000 12.009 -2.860) 12.345 6.679 ( 0.000 -5.258 1.805) 5.559 6.809 ( 0.000 -3.852 -1.353) 4.083 7.338 ( 0.000 -1.599 -1.643) 2.292 8.867 ( 0.000 -21.100 7.980) 22.559 9.473 ( 0.000 -18.220 -14.954) 23.571======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( -0.847 0.640 -0.492) 1.170 1.944 ( 7.709 13.501 1.668) 15.636 2.867 ( 4.694 24.957 0.322) 25.396 4.964 ( 4.283 5.084 -0.664) 6.681 5.779 ( -2.147 17.391 2.581) 17.712 6.099 ( 9.204 11.197 4.316) 15.123 6.503 ( 0.658 6.321 -3.196) 7.113 6.633 ( -1.416 -2.923 3.579) 4.833 6.771 ( 0.528 -2.675 -1.568) 3.145 7.306 ( -1.413 -2.187 0.251) 2.616 8.676 ( 1.506 -23.737 9.722) 25.695 9.166 ( -10.720 -11.492 -17.029) 23.173======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 0.000 0.549 -0.941) 1.089 2.022 ( -0.000 14.933 1.259) 14.986 3.077 ( -0.000 22.769 1.954) 22.853 4.972 ( -0.000 5.364 -0.582) 5.396 6.010 ( -0.000 15.941 0.296) 15.944 6.116 ( -0.000 9.898 6.505) 11.844 6.514 ( 0.000 0.590 -6.673) 6.700 6.668 ( -0.000 1.192 9.800) 9.872 6.722 ( 0.000 -2.761 -3.305) 4.307 7.306 ( -0.000 -1.607 1.938) 2.518 8.453 ( 0.000 -22.365 8.419) 23.898 9.087 ( 0.000 -9.170 -19.015) 21.111======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( -0.000 0.000 6.450) 6.450 1.107 ( -0.000 0.000 6.450) 6.450 2.078 ( -0.000 0.000 14.273) 14.273 4.730 ( -0.000 0.000 2.815) 2.815 4.730 ( -0.000 0.000 2.815) 2.815 5.620 ( 0.000 -0.000 -5.414) 5.414 5.620 ( 0.000 -0.000 -5.414) 5.414 6.971 ( -0.000 0.000 2.689) 2.689 6.971 ( -0.000 0.000 2.689) 2.689 7.457 ( 0.000 -0.000 -7.705) 7.705 9.005 ( -0.000 0.000 3.062) 3.062 10.818 ( -0.000 0.000 0.382) 0.382======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 7.281 4.204 2.741) 8.843 1.348 ( 17.790 10.271 7.243) 21.782 2.063 ( -4.440 -2.563 8.449) 9.883 4.733 ( 0.532 0.307 3.138) 3.198 4.887 ( 11.359 6.558 1.616) 13.216 5.685 ( 5.047 2.914 -6.896) 9.029 5.718 ( 11.271 6.507 -2.062) 13.177 6.922 ( -4.315 -2.491 2.012) 5.373 6.952 ( -2.438 -1.408 2.008) 3.458 7.422 ( -0.785 -0.453 -6.240) 6.305 9.065 ( 3.168 1.829 2.433) 4.394 10.569 ( -20.618 -11.904 0.639) 23.816======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 11.044 6.376 -0.372) 12.758 1.797 ( 8.080 4.665 14.302) 17.076 2.051 ( 11.640 6.720 -5.127) 14.385 4.780 ( 2.542 1.468 2.796) 4.054 5.230 ( 17.055 9.847 0.104) 19.694 5.797 ( 6.904 3.986 -7.661) 11.057 6.052 ( 15.883 9.170 0.624) 18.351 6.815 ( -4.814 -2.779 -0.037) 5.559 6.880 ( -4.126 -2.382 1.689) 5.055 7.378 ( -1.182 -0.682 -4.360) 4.569 9.105 ( -1.548 -0.894 2.146) 2.793 9.955 ( -30.547 -17.636 1.806) 35.319======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 12.907 7.452 -1.702) 15.000 1.806 ( -2.530 -1.461 5.224) 5.985 2.559 ( 24.820 14.330 -1.528) 28.700 4.866 ( 4.043 2.334 1.696) 4.967 5.638 ( 17.728 10.235 -1.139) 20.502 5.945 ( 8.184 4.725 -7.471) 12.047 6.376 ( 10.196 5.887 3.009) 12.152 6.715 ( -2.813 -1.624 -4.320) 5.405 6.789 ( -4.055 -2.341 2.260) 5.199 7.341 ( -0.991 -0.572 -2.363) 2.626 8.944 ( -14.860 -8.579 -5.378) 17.981 9.319 ( -21.338 -12.320 12.186) 27.488======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.000 6.559 5.150) 8.339 1.407 ( -0.000 22.662 2.185) 22.767 2.088 ( -0.000 -6.385 6.142) 8.859 4.772 ( -0.000 1.675 0.155) 1.682 4.860 ( -0.000 11.575 3.582) 12.117 5.598 ( -0.000 2.726 0.312) 2.744 5.770 ( -0.000 15.143 -6.114) 16.330 6.927 ( 0.000 -5.502 1.661) 5.747 6.959 ( -0.000 -2.637 1.403) 2.987 7.403 ( 0.000 -0.896 -4.541) 4.629 9.074 ( -0.000 3.789 1.662) 4.137 10.578 ( 0.000 -22.641 -0.226) 22.642======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 7.238 9.771 1.844) 12.299 1.769 ( 11.241 23.687 5.303) 26.750 2.001 ( -2.158 -5.369 -0.915) 5.858 4.798 ( 0.700 3.349 1.010) 3.568 5.092 ( 9.371 13.313 1.115) 16.319 5.714 ( 6.446 5.865 -0.358) 8.722 5.974 ( 7.143 16.352 -2.739) 18.053 6.842 ( -3.034 -5.871 0.781) 6.654 6.913 ( -2.077 -3.311 0.692) 3.969 7.372 ( -0.679 -1.143 -2.709) 3.018 9.116 ( 0.288 0.330 1.387) 1.455 10.156 ( -17.135 -27.670 -0.515) 32.550======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 8.760 11.440 -1.083) 14.449 1.868 ( -3.587 -2.188 3.108) 5.227 2.327 ( 20.208 21.043 -1.006) 29.192 4.867 ( 1.757 5.096 1.315) 5.549 5.426 ( 14.686 10.625 -1.774) 18.213 5.897 ( 5.683 10.806 -3.619) 12.734 6.279 ( 10.376 10.885 1.651) 15.128 6.728 ( -3.455 -4.722 -1.149) 5.963 6.837 ( -3.102 -2.705 0.721) 4.178 7.341 ( -0.819 -1.274 -0.826) 1.725 9.052 ( -6.672 -5.341 -1.594) 8.694 9.534 ( -20.393 -25.120 4.556) 32.674======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -0.000 12.364 3.459) 12.839 1.938 ( 0.000 9.514 -11.137) 14.647 1.969 ( -0.000 12.542 9.722) 15.869 4.806 ( 0.000 2.736 -1.828) 3.290 5.209 ( -0.000 19.346 3.686) 19.694 5.724 ( -0.000 7.289 5.384) 9.062 6.081 ( -0.000 18.350 -4.439) 18.879 6.808 ( 0.000 -6.620 1.202) 6.728 6.891 ( 0.000 -4.332 -0.316) 4.343 7.359 ( 0.000 -1.272 -0.921) 1.570 9.110 ( 0.000 -2.676 1.206) 2.935 9.985 ( 0.000 -32.742 -3.758) 32.957======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -0.000 0.000 2.162) 2.162 1.155 ( -0.000 0.000 2.162) 2.162 2.185 ( -0.000 0.000 4.915) 4.915 4.752 ( -0.000 0.000 1.076) 1.076 4.752 ( -0.000 0.000 1.076) 1.076 5.578 ( 0.000 -0.000 -1.976) 1.976 5.578 ( 0.000 -0.000 -1.976) 1.976 6.992 ( -0.000 0.000 0.932) 0.932 6.992 ( -0.000 0.000 0.932) 0.932 7.399 ( 0.000 -0.000 -2.711) 2.711 9.027 ( -0.000 0.000 1.024) 1.024 10.821 ( -0.000 0.000 0.135) 0.135======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 6.309 3.643 -1.316) 7.403 1.403 ( 19.111 11.034 2.742) 22.237 2.116 ( -6.229 -3.596 1.173) 7.287 4.762 ( 0.851 0.491 1.893) 2.133 4.889 ( 10.901 6.294 -1.350) 12.659 5.623 ( 3.895 2.249 -4.137) 6.111 5.721 ( 12.174 7.029 2.535) 14.284 6.935 ( -4.575 -2.641 0.222) 5.287 6.965 ( -2.424 -1.400 0.279) 2.813 7.382 ( -0.797 -0.460 -0.914) 1.297 9.081 ( 3.289 1.899 0.405) 3.820 10.574 ( -20.245 -11.688 0.402) 23.380=================== 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 3/40500 10.0 1725.713 1725.713 3252.898 0.000 -0.000 -0.000 3/40500 20.0 619.442 619.442 582.402 0.000 -0.000 -0.000 3/40500 30.0 273.308 273.308 211.548 0.000 -0.000 -0.000 3/40500 40.0 135.992 135.992 78.918 0.000 -0.000 -0.000 3/40500 50.0 77.707 77.707 34.777 0.000 -0.000 -0.000 3/40500 60.0 49.998 49.998 18.911 0.000 -0.000 -0.000 3/40500 70.0 35.311 35.311 12.040 0.000 -0.000 -0.000 3/40500 80.0 26.747 26.747 8.554 0.000 -0.000 -0.000 3/40500 90.0 21.338 21.338 6.558 0.000 -0.000 -0.000 3/40500 100.0 17.694 17.694 5.306 0.000 -0.000 -0.000 3/40500 110.0 15.105 15.105 4.462 0.000 -0.000 -0.000 3/40500 120.0 13.184 13.184 3.860 0.000 -0.000 -0.000 3/40500 130.0 11.710 11.710 3.411 0.000 -0.000 -0.000 3/40500 140.0 10.543 10.543 3.064 0.000 -0.000 -0.000 3/40500 150.0 9.598 9.598 2.787 0.000 -0.000 -0.000 3/40500 160.0 8.817 8.817 2.560 0.000 -0.000 -0.000 3/40500 170.0 8.160 8.160 2.371 0.000 -0.000 -0.000 3/40500 180.0 7.599 7.599 2.210 0.000 -0.000 -0.000 3/40500 190.0 7.115 7.115 2.072 0.000 -0.000 -0.000 3/40500 200.0 6.692 6.692 1.951 0.000 -0.000 -0.000 3/40500 210.0 6.319 6.319 1.845 0.000 -0.000 -0.000 3/40500 220.0 5.988 5.988 1.751 0.000 -0.000 -0.000 3/40500 230.0 5.691 5.691 1.666 0.000 -0.000 -0.000 3/40500 240.0 5.424 5.424 1.590 0.000 -0.000 -0.000 3/40500 250.0 5.181 5.181 1.521 0.000 -0.000 -0.000 3/40500 260.0 4.961 4.961 1.458 0.000 -0.000 -0.000 3/40500 270.0 4.759 4.759 1.400 0.000 -0.000 -0.000 3/40500 280.0 4.574 4.574 1.347 0.000 -0.000 -0.000 3/40500 290.0 4.403 4.403 1.298 0.000 -0.000 -0.000 3/40500 300.0 4.245 4.245 1.252 0.000 -0.000 -0.000 3/40500 310.0 4.098 4.098 1.210 0.000 -0.000 -0.000 3/40500 320.0 3.961 3.961 1.171 0.000 -0.000 -0.000 3/40500 330.0 3.834 3.834 1.134 0.000 -0.000 -0.000 3/40500 340.0 3.714 3.714 1.099 0.000 -0.000 -0.000 3/40500 350.0 3.602 3.602 1.067 0.000 -0.000 -0.000 3/40500 360.0 3.497 3.497 1.036 0.000 -0.000 -0.000 3/40500 370.0 3.398 3.398 1.007 0.000 -0.000 -0.000 3/40500 380.0 3.304 3.304 0.980 0.000 -0.000 -0.000 3/40500 390.0 3.216 3.216 0.954 0.000 -0.000 -0.000 3/40500 400.0 3.132 3.132 0.930 0.000 -0.000 -0.000 3/40500 410.0 3.053 3.053 0.907 0.000 -0.000 -0.000 3/40500 420.0 2.978 2.978 0.885 0.000 -0.000 -0.000 3/40500 430.0 2.906 2.906 0.864 0.000 -0.000 -0.000 3/40500 440.0 2.838 2.838 0.844 0.000 -0.000 -0.000 3/40500 450.0 2.773 2.773 0.825 0.000 -0.000 -0.000 3/40500 460.0 2.711 2.711 0.807 0.000 -0.000 -0.000 3/40500 470.0 2.651 2.651 0.789 0.000 -0.000 -0.000 3/40500 480.0 2.595 2.595 0.773 0.000 -0.000 -0.000 3/40500 490.0 2.540 2.540 0.757 0.000 -0.000 -0.000 3/40500 500.0 2.488 2.488 0.741 0.000 -0.000 -0.000 3/40500 510.0 2.438 2.438 0.727 0.000 -0.000 -0.000 3/40500 520.0 2.390 2.390 0.713 0.000 -0.000 -0.000 3/40500 530.0 2.344 2.344 0.699 0.000 -0.000 -0.000 3/40500 540.0 2.300 2.300 0.686 0.000 -0.000 -0.000 3/40500 550.0 2.257 2.257 0.673 0.000 -0.000 -0.000 3/40500 560.0 2.216 2.216 0.661 0.000 -0.000 -0.000 3/40500 570.0 2.177 2.177 0.650 0.000 -0.000 -0.000 3/40500 580.0 2.138 2.138 0.638 0.000 -0.000 -0.000 3/40500 590.0 2.102 2.102 0.627 0.000 -0.000 -0.000 3/40500 600.0 2.066 2.066 0.617 0.000 -0.000 -0.000 3/40500 610.0 2.032 2.032 0.607 0.000 -0.000 -0.000 3/40500 620.0 1.998 1.998 0.597 0.000 -0.000 -0.000 3/40500 630.0 1.966 1.966 0.587 0.000 -0.000 -0.000 3/40500 640.0 1.935 1.935 0.578 0.000 -0.000 -0.000 3/40500 650.0 1.905 1.905 0.569 0.000 -0.000 -0.000 3/40500 660.0 1.876 1.876 0.561 0.000 -0.000 -0.000 3/40500 670.0 1.847 1.847 0.552 0.000 -0.000 -0.000 3/40500 680.0 1.820 1.820 0.544 0.000 -0.000 -0.000 3/40500 690.0 1.793 1.793 0.536 0.000 -0.000 -0.000 3/40500 700.0 1.767 1.767 0.528 0.000 -0.000 -0.000 3/40500 710.0 1.742 1.742 0.521 0.000 -0.000 -0.000 3/40500 720.0 1.718 1.718 0.514 0.000 -0.000 -0.000 3/40500 730.0 1.694 1.694 0.507 0.000 -0.000 -0.000 3/40500 740.0 1.671 1.671 0.500 0.000 -0.000 -0.000 3/40500 750.0 1.648 1.648 0.493 0.000 -0.000 -0.000 3/40500 760.0 1.626 1.626 0.487 0.000 -0.000 -0.000 3/40500 770.0 1.605 1.605 0.480 0.000 -0.000 -0.000 3/40500 780.0 1.584 1.584 0.474 0.000 -0.000 -0.000 3/40500 790.0 1.564 1.564 0.468 0.000 -0.000 -0.000 3/40500 800.0 1.544 1.544 0.462 0.000 -0.000 -0.000 3/40500 810.0 1.525 1.525 0.456 0.000 -0.000 -0.000 3/40500 820.0 1.506 1.506 0.451 0.000 -0.000 -0.000 3/40500 830.0 1.488 1.488 0.445 0.000 -0.000 -0.000 3/40500 840.0 1.470 1.470 0.440 0.000 -0.000 -0.000 3/40500 850.0 1.453 1.453 0.435 0.000 -0.000 -0.000 3/40500 860.0 1.436 1.436 0.430 0.000 -0.000 -0.000 3/40500 870.0 1.419 1.419 0.425 0.000 -0.000 -0.000 3/40500 880.0 1.403 1.403 0.420 0.000 -0.000 -0.000 3/40500 890.0 1.387 1.387 0.415 0.000 -0.000 -0.000 3/40500 900.0 1.372 1.372 0.411 0.000 -0.000 -0.000 3/40500 910.0 1.357 1.357 0.406 0.000 -0.000 -0.000 3/40500 920.0 1.342 1.342 0.402 0.000 -0.000 -0.000 3/40500 930.0 1.327 1.327 0.398 0.000 -0.000 -0.000 3/40500 940.0 1.313 1.313 0.393 0.000 -0.000 -0.000 3/40500 950.0 1.299 1.299 0.389 0.000 -0.000 -0.000 3/40500 960.0 1.286 1.286 0.385 0.000 -0.000 -0.000 3/40500 970.0 1.272 1.272 0.381 0.000 -0.000 -0.000 3/40500 980.0 1.259 1.259 0.377 0.000 -0.000 -0.000 3/40500 990.0 1.246 1.246 0.373 0.000 -0.000 -0.000 3/40500 1000.0 1.234 1.234 0.370 0.000 -0.000 -0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:43:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|