# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ba8f1112-10bb-422a-be9e-ac41b2aad19b/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 NaHF2 / R-3m (166) / materials id 27837](https://mdr.nims.go.jp/datasets/fdc91ad8-847d-42de-8256-5758c20055e6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 06:34:18]-------------------------Compiled with OpenMP support (max 32 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 1.731619833592541 0.999751177058746 4.588216413333329 b -1.731619833592537 0.999751177058746 4.588216413333329 c 0.000000000000001 -1.999502354117495 4.588216413333329Atomic positions (fractional): *1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 *2 F 0.58310939638701 0.58310939638702 0.58310939638701 18.998 3 F 0.41689060361298 0.41689060361299 0.41689060361299 18.998 *4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.463239667185077 0.000000000000000 0.000000000000000 b -1.731619833592538 2.999253531176241 0.000000000000000 c 0.000000000000000 0.000000000000000 13.764649239999999Atomic positions (fractional): *1 H 0.33333333333333 0.66666666666667 0.16666666666667 1.008 > 1 2 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 3 H 0.66666666666667 0.33333333333333 0.83333333333333 1.008 > 1 *4 F 0.33333333333333 0.66666666666667 0.24977606305368 18.998 > 2 5 F 0.33333333333333 0.66666666666667 0.08355727027965 18.998 > 3 6 F 0.00000000000000 0.00000000000000 0.58310939638701 18.998 > 2 7 F 0.00000000000000 0.00000000000000 0.41689060361299 18.998 > 3 8 F 0.66666666666667 0.33333333333333 0.91644272972035 18.998 > 2 9 F 0.66666666666667 0.33333333333333 0.75022393694632 18.998 > 3 *10 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 4 11 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 4 12 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 10.389719001555232 0.000000000000000 0.000000000000000 b -5.194859500777614 8.997760593528724 0.000000000000000 c 0.000000000000000 0.000000000000000 13.764649239999999Atomic positions (fractional): *1 H 0.11111111111111 0.22222222222222 0.16666666666667 1.008 > 1 2 H 0.44444444444444 0.22222222222222 0.16666666666667 1.008 > 1 3 H 0.77777777777778 0.22222222222222 0.16666666666667 1.008 > 1 4 H 0.11111111111111 0.55555555555556 0.16666666666667 1.008 > 1 5 H 0.44444444444444 0.55555555555556 0.16666666666667 1.008 > 1 6 H 0.77777777777778 0.55555555555556 0.16666666666667 1.008 > 1 7 H 0.11111111111111 0.88888888888889 0.16666666666667 1.008 > 1 8 H 0.44444444444444 0.88888888888889 0.16666666666667 1.008 > 1 9 H 0.77777777777778 0.88888888888889 0.16666666666667 1.008 > 1 10 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.33333333333333 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.33333333333333 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.66666666666667 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.66666666666667 0.50000000000000 1.008 > 1 19 H 0.22222222222222 0.11111111111111 0.83333333333333 1.008 > 1 20 H 0.55555555555556 0.11111111111111 0.83333333333333 1.008 > 1 21 H 0.88888888888889 0.11111111111111 0.83333333333333 1.008 > 1 22 H 0.22222222222222 0.44444444444444 0.83333333333333 1.008 > 1 23 H 0.55555555555556 0.44444444444444 0.83333333333333 1.008 > 1 24 H 0.88888888888889 0.44444444444444 0.83333333333333 1.008 > 1 25 H 0.22222222222222 0.77777777777778 0.83333333333333 1.008 > 1 26 H 0.55555555555556 0.77777777777778 0.83333333333333 1.008 > 1 27 H 0.88888888888889 0.77777777777778 0.83333333333333 1.008 > 1 *28 F 0.11111111111111 0.22222222222222 0.24977606305368 18.998 > 2 29 F 0.44444444444444 0.22222222222222 0.24977606305368 18.998 > 2 30 F 0.77777777777778 0.22222222222222 0.24977606305368 18.998 > 2 31 F 0.11111111111111 0.55555555555556 0.24977606305368 18.998 > 2 32 F 0.44444444444444 0.55555555555556 0.24977606305368 18.998 > 2 33 F 0.77777777777778 0.55555555555556 0.24977606305368 18.998 > 2 34 F 0.11111111111111 0.88888888888889 0.24977606305368 18.998 > 2 35 F 0.44444444444444 0.88888888888889 0.24977606305368 18.998 > 2 36 F 0.77777777777778 0.88888888888889 0.24977606305368 18.998 > 2 37 F 0.11111111111111 0.22222222222222 0.08355727027965 18.998 > 3 38 F 0.44444444444444 0.22222222222222 0.08355727027965 18.998 > 3 39 F 0.77777777777778 0.22222222222222 0.08355727027965 18.998 > 3 40 F 0.11111111111111 0.55555555555556 0.08355727027965 18.998 > 3 41 F 0.44444444444444 0.55555555555556 0.08355727027965 18.998 > 3 42 F 0.77777777777778 0.55555555555556 0.08355727027965 18.998 > 3 43 F 0.11111111111111 0.88888888888889 0.08355727027965 18.998 > 3 44 F 0.44444444444444 0.88888888888889 0.08355727027965 18.998 > 3 45 F 0.77777777777778 0.88888888888889 0.08355727027965 18.998 > 3 46 F 0.00000000000000 0.00000000000000 0.58310939638701 18.998 > 2 47 F 0.33333333333333 0.00000000000000 0.58310939638701 18.998 > 2 48 F 0.66666666666667 0.00000000000000 0.58310939638701 18.998 > 2 49 F 0.00000000000000 0.33333333333333 0.58310939638701 18.998 > 2 50 F 0.33333333333333 0.33333333333333 0.58310939638701 18.998 > 2 51 F 0.66666666666667 0.33333333333333 0.58310939638701 18.998 > 2 52 F 0.00000000000000 0.66666666666667 0.58310939638701 18.998 > 2 53 F 0.33333333333333 0.66666666666667 0.58310939638701 18.998 > 2 54 F 0.66666666666667 0.66666666666667 0.58310939638701 18.998 > 2 55 F 0.00000000000000 0.00000000000000 0.41689060361299 18.998 > 3 56 F 0.33333333333333 0.00000000000000 0.41689060361299 18.998 > 3 57 F 0.66666666666667 0.00000000000000 0.41689060361299 18.998 > 3 58 F 0.00000000000000 0.33333333333333 0.41689060361299 18.998 > 3 59 F 0.33333333333333 0.33333333333333 0.41689060361299 18.998 > 3 60 F 0.66666666666667 0.33333333333333 0.41689060361299 18.998 > 3 61 F 0.00000000000000 0.66666666666667 0.41689060361299 18.998 > 3 62 F 0.33333333333333 0.66666666666667 0.41689060361299 18.998 > 3 63 F 0.66666666666667 0.66666666666667 0.41689060361299 18.998 > 3 64 F 0.22222222222222 0.11111111111111 0.91644272972035 18.998 > 2 65 F 0.55555555555556 0.11111111111111 0.91644272972035 18.998 > 2 66 F 0.88888888888889 0.11111111111111 0.91644272972035 18.998 > 2 67 F 0.22222222222222 0.44444444444444 0.91644272972035 18.998 > 2 68 F 0.55555555555556 0.44444444444444 0.91644272972035 18.998 > 2 69 F 0.88888888888889 0.44444444444444 0.91644272972035 18.998 > 2 70 F 0.22222222222222 0.77777777777778 0.91644272972035 18.998 > 2 71 F 0.55555555555556 0.77777777777778 0.91644272972035 18.998 > 2 72 F 0.88888888888889 0.77777777777778 0.91644272972035 18.998 > 2 73 F 0.22222222222222 0.11111111111111 0.75022393694632 18.998 > 3 74 F 0.55555555555556 0.11111111111111 0.75022393694632 18.998 > 3 75 F 0.88888888888889 0.11111111111111 0.75022393694632 18.998 > 3 76 F 0.22222222222222 0.44444444444444 0.75022393694632 18.998 > 3 77 F 0.55555555555556 0.44444444444444 0.75022393694632 18.998 > 3 78 F 0.88888888888889 0.44444444444444 0.75022393694632 18.998 > 3 79 F 0.22222222222222 0.77777777777778 0.75022393694632 18.998 > 3 80 F 0.55555555555556 0.77777777777778 0.75022393694632 18.998 > 3 81 F 0.88888888888889 0.77777777777778 0.75022393694632 18.998 > 3 *82 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 4 83 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 4 84 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 4 85 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 4 86 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 4 87 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 4 88 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 4 89 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 4 90 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 4 91 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 4 92 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 4 93 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 4 94 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 4 95 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 4 96 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 4 97 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 4 98 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 4 99 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 4 100 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 4 101 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 4 102 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 4 103 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 4 104 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 4 105 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 4 106 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 4 107 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 4 108 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1.6611917 -0.0000000 0.0000000 0.0000000 1.6611917 0.0000000 0.0000000 0.0000000 1.8583774-------------------------- Born effective charges -------------------------- 1 H 0.3389675 0.0000000 0.0000000 0.0000000 0.3389675 0.0000000 0.0000000 0.0000000 1.9580477 2 F -0.6868059 0.0000000 0.0000000 0.0000000 -0.6868059 0.0000000 0.0000000 0.0000000 -1.4937988 3 F -0.6868059 0.0000000 0.0000000 0.0000000 -0.6868059 0.0000000 0.0000000 0.0000000 -1.4937988 4 Na 1.0346443 -0.0000000 0.0000000 0.0000000 1.0346443 0.0000000 0.0000000 0.0000000 1.0295499----------------------------------------------------------------------------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: 214Finding 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): 0.007Solver_block: 80 / 80 - Time: 0.089Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.097--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 214Finding 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 06:34:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:34:22]-------------------------Compiled with OpenMP support (max 32 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 1.731619833592541 0.999751177058746 4.588216413333329 b -1.731619833592537 0.999751177058746 4.588216413333329 c 0.000000000000001 -1.999502354117495 4.588216413333329Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 F 0.58310939638701 0.58310939638702 0.58310939638701 18.998 3 F 0.41689060361298 0.41689060361299 0.41689060361299 18.998 4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990-------------------------------- supercell ---------------------------------Lattice vectors: a 10.389719001555232 0.000000000000000 0.000000000000000 b -5.194859500777614 8.997760593528724 0.000000000000000 c 0.000000000000000 0.000000000000000 13.764649239999999Atomic positions (fractional): 1 H 0.11111111111111 0.22222222222222 0.16666666666667 1.008 > 1 2 H 0.44444444444444 0.22222222222222 0.16666666666667 1.008 > 1 3 H 0.77777777777778 0.22222222222222 0.16666666666667 1.008 > 1 4 H 0.11111111111111 0.55555555555556 0.16666666666667 1.008 > 1 5 H 0.44444444444444 0.55555555555556 0.16666666666667 1.008 > 1 6 H 0.77777777777778 0.55555555555556 0.16666666666667 1.008 > 1 7 H 0.11111111111111 0.88888888888889 0.16666666666667 1.008 > 1 8 H 0.44444444444444 0.88888888888889 0.16666666666667 1.008 > 1 9 H 0.77777777777778 0.88888888888889 0.16666666666667 1.008 > 1 10 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.33333333333333 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.33333333333333 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.66666666666667 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.66666666666667 0.50000000000000 1.008 > 1 19 H 0.22222222222222 0.11111111111111 0.83333333333333 1.008 > 1 20 H 0.55555555555556 0.11111111111111 0.83333333333333 1.008 > 1 21 H 0.88888888888889 0.11111111111111 0.83333333333333 1.008 > 1 22 H 0.22222222222222 0.44444444444444 0.83333333333333 1.008 > 1 23 H 0.55555555555556 0.44444444444444 0.83333333333333 1.008 > 1 24 H 0.88888888888889 0.44444444444444 0.83333333333333 1.008 > 1 25 H 0.22222222222222 0.77777777777778 0.83333333333333 1.008 > 1 26 H 0.55555555555556 0.77777777777778 0.83333333333333 1.008 > 1 27 H 0.88888888888889 0.77777777777778 0.83333333333333 1.008 > 1 28 F 0.11111111111111 0.22222222222222 0.24977606305368 18.998 > 28 29 F 0.44444444444444 0.22222222222222 0.24977606305368 18.998 > 28 30 F 0.77777777777778 0.22222222222222 0.24977606305368 18.998 > 28 31 F 0.11111111111111 0.55555555555556 0.24977606305368 18.998 > 28 32 F 0.44444444444444 0.55555555555556 0.24977606305368 18.998 > 28 33 F 0.77777777777778 0.55555555555556 0.24977606305368 18.998 > 28 34 F 0.11111111111111 0.88888888888889 0.24977606305368 18.998 > 28 35 F 0.44444444444444 0.88888888888889 0.24977606305368 18.998 > 28 36 F 0.77777777777778 0.88888888888889 0.24977606305368 18.998 > 28 37 F 0.11111111111111 0.22222222222222 0.08355727027965 18.998 > 37 38 F 0.44444444444444 0.22222222222222 0.08355727027965 18.998 > 37 39 F 0.77777777777778 0.22222222222222 0.08355727027965 18.998 > 37 40 F 0.11111111111111 0.55555555555556 0.08355727027965 18.998 > 37 41 F 0.44444444444444 0.55555555555556 0.08355727027965 18.998 > 37 42 F 0.77777777777778 0.55555555555556 0.08355727027965 18.998 > 37 43 F 0.11111111111111 0.88888888888889 0.08355727027965 18.998 > 37 44 F 0.44444444444444 0.88888888888889 0.08355727027965 18.998 > 37 45 F 0.77777777777778 0.88888888888889 0.08355727027965 18.998 > 37 46 F 0.00000000000000 0.00000000000000 0.58310939638701 18.998 > 28 47 F 0.33333333333333 0.00000000000000 0.58310939638701 18.998 > 28 48 F 0.66666666666667 0.00000000000000 0.58310939638701 18.998 > 28 49 F 0.00000000000000 0.33333333333333 0.58310939638701 18.998 > 28 50 F 0.33333333333333 0.33333333333333 0.58310939638701 18.998 > 28 51 F 0.66666666666667 0.33333333333333 0.58310939638701 18.998 > 28 52 F 0.00000000000000 0.66666666666667 0.58310939638701 18.998 > 28 53 F 0.33333333333333 0.66666666666667 0.58310939638701 18.998 > 28 54 F 0.66666666666667 0.66666666666667 0.58310939638701 18.998 > 28 55 F 0.00000000000000 0.00000000000000 0.41689060361299 18.998 > 37 56 F 0.33333333333333 0.00000000000000 0.41689060361299 18.998 > 37 57 F 0.66666666666667 0.00000000000000 0.41689060361299 18.998 > 37 58 F 0.00000000000000 0.33333333333333 0.41689060361299 18.998 > 37 59 F 0.33333333333333 0.33333333333333 0.41689060361299 18.998 > 37 60 F 0.66666666666667 0.33333333333333 0.41689060361299 18.998 > 37 61 F 0.00000000000000 0.66666666666667 0.41689060361299 18.998 > 37 62 F 0.33333333333333 0.66666666666667 0.41689060361299 18.998 > 37 63 F 0.66666666666667 0.66666666666667 0.41689060361299 18.998 > 37 64 F 0.22222222222222 0.11111111111111 0.91644272972035 18.998 > 28 65 F 0.55555555555556 0.11111111111111 0.91644272972035 18.998 > 28 66 F 0.88888888888889 0.11111111111111 0.91644272972035 18.998 > 28 67 F 0.22222222222222 0.44444444444444 0.91644272972035 18.998 > 28 68 F 0.55555555555556 0.44444444444444 0.91644272972035 18.998 > 28 69 F 0.88888888888889 0.44444444444444 0.91644272972035 18.998 > 28 70 F 0.22222222222222 0.77777777777778 0.91644272972035 18.998 > 28 71 F 0.55555555555556 0.77777777777778 0.91644272972035 18.998 > 28 72 F 0.88888888888889 0.77777777777778 0.91644272972035 18.998 > 28 73 F 0.22222222222222 0.11111111111111 0.75022393694632 18.998 > 37 74 F 0.55555555555556 0.11111111111111 0.75022393694632 18.998 > 37 75 F 0.88888888888889 0.11111111111111 0.75022393694632 18.998 > 37 76 F 0.22222222222222 0.44444444444444 0.75022393694632 18.998 > 37 77 F 0.55555555555556 0.44444444444444 0.75022393694632 18.998 > 37 78 F 0.88888888888889 0.44444444444444 0.75022393694632 18.998 > 37 79 F 0.22222222222222 0.77777777777778 0.75022393694632 18.998 > 37 80 F 0.55555555555556 0.77777777777778 0.75022393694632 18.998 > 37 81 F 0.88888888888889 0.77777777777778 0.75022393694632 18.998 > 37 82 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 82 83 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 82 84 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 82 85 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 82 86 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 82 87 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 82 88 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 82 89 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 82 90 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 82 91 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 82 92 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 82 93 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 82 94 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 82 95 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 82 96 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 82 97 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 82 98 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 82 99 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 82 100 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 82 101 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 82 102 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 82 103 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 82 104 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 82 105 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 82 106 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 82 107 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 82 108 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1.6611917 -0.0000000 0.0000000 0.0000000 1.6611917 0.0000000 0.0000000 0.0000000 1.8583774-------------------------- Born effective charges -------------------------- 1 H 0.3389675 0.0000000 0.0000000 0.0000000 0.3389675 0.0000000 0.0000000 0.0000000 1.9580477 2 F -0.6868059 0.0000000 0.0000000 0.0000000 -0.6868059 0.0000000 0.0000000 0.0000000 -1.4937988 3 F -0.6868059 0.0000000 0.0000000 0.0000000 -0.6868059 0.0000000 0.0000000 0.0000000 -1.4937988 4 Na 1.0346443 -0.0000000 0.0000000 0.0000000 1.0346443 0.0000000 0.0000000 0.0000000 1.0295499----------------------------------------------------------------------------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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)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 06:34:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:34:28]-------------------------Compiled with OpenMP support (max 32 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 1.731619833592541 0.999751177058746 4.588216413333329 b -1.731619833592537 0.999751177058746 4.588216413333329 c 0.000000000000001 -1.999502354117495 4.588216413333329Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 F 0.58310939638701 0.58310939638702 0.58310939638701 18.998 3 F 0.41689060361298 0.41689060361299 0.41689060361299 18.998 4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990-------------------------------- supercell ---------------------------------Lattice vectors: a 10.389719001555232 0.000000000000000 0.000000000000000 b -5.194859500777614 8.997760593528724 0.000000000000000 c 0.000000000000000 0.000000000000000 13.764649239999999Atomic positions (fractional): 1 H 0.11111111111111 0.22222222222222 0.16666666666667 1.008 > 1 2 H 0.44444444444444 0.22222222222222 0.16666666666667 1.008 > 1 3 H 0.77777777777778 0.22222222222222 0.16666666666667 1.008 > 1 4 H 0.11111111111111 0.55555555555556 0.16666666666667 1.008 > 1 5 H 0.44444444444444 0.55555555555556 0.16666666666667 1.008 > 1 6 H 0.77777777777778 0.55555555555556 0.16666666666667 1.008 > 1 7 H 0.11111111111111 0.88888888888889 0.16666666666667 1.008 > 1 8 H 0.44444444444444 0.88888888888889 0.16666666666667 1.008 > 1 9 H 0.77777777777778 0.88888888888889 0.16666666666667 1.008 > 1 10 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 11 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 1 12 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 1 13 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 1 14 H 0.33333333333333 0.33333333333333 0.50000000000000 1.008 > 1 15 H 0.66666666666667 0.33333333333333 0.50000000000000 1.008 > 1 16 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 1 17 H 0.33333333333333 0.66666666666667 0.50000000000000 1.008 > 1 18 H 0.66666666666667 0.66666666666667 0.50000000000000 1.008 > 1 19 H 0.22222222222222 0.11111111111111 0.83333333333333 1.008 > 1 20 H 0.55555555555556 0.11111111111111 0.83333333333333 1.008 > 1 21 H 0.88888888888889 0.11111111111111 0.83333333333333 1.008 > 1 22 H 0.22222222222222 0.44444444444444 0.83333333333333 1.008 > 1 23 H 0.55555555555556 0.44444444444444 0.83333333333333 1.008 > 1 24 H 0.88888888888889 0.44444444444444 0.83333333333333 1.008 > 1 25 H 0.22222222222222 0.77777777777778 0.83333333333333 1.008 > 1 26 H 0.55555555555556 0.77777777777778 0.83333333333333 1.008 > 1 27 H 0.88888888888889 0.77777777777778 0.83333333333333 1.008 > 1 28 F 0.11111111111111 0.22222222222222 0.24977606305368 18.998 > 28 29 F 0.44444444444444 0.22222222222222 0.24977606305368 18.998 > 28 30 F 0.77777777777778 0.22222222222222 0.24977606305368 18.998 > 28 31 F 0.11111111111111 0.55555555555556 0.24977606305368 18.998 > 28 32 F 0.44444444444444 0.55555555555556 0.24977606305368 18.998 > 28 33 F 0.77777777777778 0.55555555555556 0.24977606305368 18.998 > 28 34 F 0.11111111111111 0.88888888888889 0.24977606305368 18.998 > 28 35 F 0.44444444444444 0.88888888888889 0.24977606305368 18.998 > 28 36 F 0.77777777777778 0.88888888888889 0.24977606305368 18.998 > 28 37 F 0.11111111111111 0.22222222222222 0.08355727027965 18.998 > 37 38 F 0.44444444444444 0.22222222222222 0.08355727027965 18.998 > 37 39 F 0.77777777777778 0.22222222222222 0.08355727027965 18.998 > 37 40 F 0.11111111111111 0.55555555555556 0.08355727027965 18.998 > 37 41 F 0.44444444444444 0.55555555555556 0.08355727027965 18.998 > 37 42 F 0.77777777777778 0.55555555555556 0.08355727027965 18.998 > 37 43 F 0.11111111111111 0.88888888888889 0.08355727027965 18.998 > 37 44 F 0.44444444444444 0.88888888888889 0.08355727027965 18.998 > 37 45 F 0.77777777777778 0.88888888888889 0.08355727027965 18.998 > 37 46 F 0.00000000000000 0.00000000000000 0.58310939638701 18.998 > 28 47 F 0.33333333333333 0.00000000000000 0.58310939638701 18.998 > 28 48 F 0.66666666666667 0.00000000000000 0.58310939638701 18.998 > 28 49 F 0.00000000000000 0.33333333333333 0.58310939638701 18.998 > 28 50 F 0.33333333333333 0.33333333333333 0.58310939638701 18.998 > 28 51 F 0.66666666666667 0.33333333333333 0.58310939638701 18.998 > 28 52 F 0.00000000000000 0.66666666666667 0.58310939638701 18.998 > 28 53 F 0.33333333333333 0.66666666666667 0.58310939638701 18.998 > 28 54 F 0.66666666666667 0.66666666666667 0.58310939638701 18.998 > 28 55 F 0.00000000000000 0.00000000000000 0.41689060361299 18.998 > 37 56 F 0.33333333333333 0.00000000000000 0.41689060361299 18.998 > 37 57 F 0.66666666666667 0.00000000000000 0.41689060361299 18.998 > 37 58 F 0.00000000000000 0.33333333333333 0.41689060361299 18.998 > 37 59 F 0.33333333333333 0.33333333333333 0.41689060361299 18.998 > 37 60 F 0.66666666666667 0.33333333333333 0.41689060361299 18.998 > 37 61 F 0.00000000000000 0.66666666666667 0.41689060361299 18.998 > 37 62 F 0.33333333333333 0.66666666666667 0.41689060361299 18.998 > 37 63 F 0.66666666666667 0.66666666666667 0.41689060361299 18.998 > 37 64 F 0.22222222222222 0.11111111111111 0.91644272972035 18.998 > 28 65 F 0.55555555555556 0.11111111111111 0.91644272972035 18.998 > 28 66 F 0.88888888888889 0.11111111111111 0.91644272972035 18.998 > 28 67 F 0.22222222222222 0.44444444444444 0.91644272972035 18.998 > 28 68 F 0.55555555555556 0.44444444444444 0.91644272972035 18.998 > 28 69 F 0.88888888888889 0.44444444444444 0.91644272972035 18.998 > 28 70 F 0.22222222222222 0.77777777777778 0.91644272972035 18.998 > 28 71 F 0.55555555555556 0.77777777777778 0.91644272972035 18.998 > 28 72 F 0.88888888888889 0.77777777777778 0.91644272972035 18.998 > 28 73 F 0.22222222222222 0.11111111111111 0.75022393694632 18.998 > 37 74 F 0.55555555555556 0.11111111111111 0.75022393694632 18.998 > 37 75 F 0.88888888888889 0.11111111111111 0.75022393694632 18.998 > 37 76 F 0.22222222222222 0.44444444444444 0.75022393694632 18.998 > 37 77 F 0.55555555555556 0.44444444444444 0.75022393694632 18.998 > 37 78 F 0.88888888888889 0.44444444444444 0.75022393694632 18.998 > 37 79 F 0.22222222222222 0.77777777777778 0.75022393694632 18.998 > 37 80 F 0.55555555555556 0.77777777777778 0.75022393694632 18.998 > 37 81 F 0.88888888888889 0.77777777777778 0.75022393694632 18.998 > 37 82 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 82 83 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 82 84 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 82 85 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 82 86 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 82 87 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 82 88 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 82 89 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 82 90 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 82 91 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 82 92 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 82 93 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 82 94 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 82 95 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 82 96 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 82 97 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 82 98 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 82 99 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 82 100 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 82 101 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 82 102 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 82 103 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 82 104 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 82 105 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 82 106 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 82 107 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 82 108 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 1.6611917 -0.0000000 0.0000000 0.0000000 1.6611917 0.0000000 0.0000000 0.0000000 1.8583774-------------------------- Born effective charges -------------------------- 1 H 0.3389675 0.0000000 0.0000000 0.0000000 0.3389675 0.0000000 0.0000000 0.0000000 1.9580477 2 F -0.6868059 0.0000000 0.0000000 0.0000000 -0.6868059 0.0000000 0.0000000 0.0000000 -1.4937988 3 F -0.6868059 0.0000000 0.0000000 0.0000000 -0.6868059 0.0000000 0.0000000 0.0000000 -1.4937988 4 Na 1.0346443 -0.0000000 0.0000000 0.0000000 1.0346443 0.0000000 0.0000000 0.0000000 1.0295499----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)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 ... [ 17 17 17 ]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: 1.15, Number of G-points: 287, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/489) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating 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 4.628 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 19.494 ( 0.000 0.000 0.000) 0.000 34.829 ( 0.000 0.000 0.000) 0.000 34.829 ( 0.000 0.000 0.000) 0.000 51.580 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/489) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.372 ( 11.580 6.686 30.281) 33.102 0.473 ( 19.927 11.505 4.914) 23.529 0.903 ( 38.029 21.956 8.878) 44.800 4.626 ( -0.150 -0.086 -0.244) 0.299 4.683 ( 4.914 2.837 -1.080) 5.776 6.436 ( -4.453 -2.571 16.349) 17.139 6.810 ( 0.480 0.277 -0.446) 0.711 9.225 ( -1.866 -1.077 -1.036) 2.391 19.483 ( -0.578 -0.333 -2.043) 2.149 34.839 ( 0.899 0.519 -0.120) 1.045 35.839 ( 11.827 6.828 -49.514) 51.363 52.506 ( -91.049 -52.567 442.701) 455.014======================= Grid point 2 (3/489) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( 14.850 8.574 28.019) 32.850 0.944 ( 19.711 11.380 5.133) 23.331 1.794 ( 37.245 21.503 8.179) 43.778 4.617 ( -0.454 -0.262 -0.602) 0.798 4.829 ( 8.203 4.736 -1.860) 9.653 6.391 ( -4.680 -2.702 11.165) 12.404 6.823 ( 0.924 0.534 -0.751) 1.305 9.154 ( -3.351 -1.935 -4.576) 5.993 19.453 ( -0.936 -0.540 -3.377) 3.546 34.868 ( 1.707 0.985 -0.192) 1.980 35.921 ( 8.813 5.088 -21.650) 23.922 52.261 ( -55.414 -31.994 220.694) 229.783======================= Grid point 3 (4/489) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 17.923 10.348 25.512) 32.851 1.407 ( 19.131 11.045 5.308) 22.720 2.654 ( 35.713 20.619 7.053) 41.836 4.598 ( -0.967 -0.558 -1.086) 1.558 5.020 ( 8.993 5.192 -2.192) 10.613 6.323 ( -5.080 -2.933 9.765) 11.391 6.845 ( 1.275 0.736 -0.843) 1.696 9.033 ( -5.183 -2.992 -6.918) 9.148 19.415 ( -1.007 -0.581 -3.692) 3.871 34.914 ( 2.329 1.345 -0.190) 2.696 36.049 ( 8.617 4.975 -11.336) 15.084 51.899 ( -45.158 -26.072 145.120) 154.203======================= Grid point 4 (5/489) =======================q-point: ( 0.24 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 19.818 11.442 23.092) 32.510 1.851 ( 17.965 10.372 5.261) 21.400 3.461 ( 32.893 18.991 5.454) 38.371 4.563 ( -1.621 -0.936 -1.587) 2.454 5.197 ( 7.012 4.049 -1.899) 8.317 6.255 ( -4.070 -2.350 8.292) 9.532 6.873 ( 1.459 0.842 -0.747) 1.843 8.860 ( -7.242 -4.181 -8.294) 11.778 19.379 ( -0.878 -0.507 -3.172) 3.330 34.970 ( 2.672 1.543 -0.125) 3.088 36.209 ( 8.567 4.946 -5.791) 11.462 51.478 ( -38.760 -22.378 104.748) 113.909======================= Grid point 5 (6/489) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.259 ( 16.008 9.242 4.866) 19.115 2.367 ( 20.421 11.790 20.642) 31.339 4.165 ( 26.672 15.399 2.832) 30.928 4.512 ( -2.257 -1.303 -1.933) 3.245 5.314 ( 4.112 2.374 -0.368) 4.762 6.226 ( -0.921 -0.532 5.994) 6.087 6.903 ( 1.426 0.824 -0.550) 1.737 8.636 ( -9.320 -5.381 -8.666) 13.818 19.350 ( -0.670 -0.387 -2.261) 2.389 35.031 ( 2.662 1.537 -0.034) 3.074 36.381 ( 7.968 4.601 -2.541) 9.545 51.060 ( -32.008 -18.480 76.914) 85.333======================= Grid point 6 (7/489) =======================q-point: ( 0.35 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 13.068 7.545 4.062) 15.627 2.909 ( 19.951 11.518 18.004) 29.238 4.447 ( -2.629 -1.518 -1.965) 3.616 4.603 ( 9.390 5.421 -2.402) 11.106 5.457 ( 10.466 6.043 3.317) 12.532 6.262 ( 2.015 1.163 3.504) 4.206 6.931 ( 1.181 0.682 -0.342) 1.406 8.369 ( -10.899 -6.292 -8.029) 14.928 19.329 ( -0.453 -0.261 -1.359) 1.456 35.088 ( 2.269 1.310 0.036) 2.620 36.540 ( 6.558 3.787 -0.767) 7.612 50.702 ( -23.987 -13.849 53.821) 60.530======================= Grid point 7 (8/489) =======================q-point: ( 0.41 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 8.876 5.124 2.794) 10.623 3.418 ( 18.598 10.738 15.102) 26.254 4.381 ( -2.345 -1.354 -1.549) 3.120 4.578 ( -7.332 -4.233 -6.506) 10.677 5.806 ( 16.108 9.300 4.503) 19.137 6.328 ( 2.394 1.382 1.669) 3.229 6.953 ( 0.772 0.446 -0.174) 0.908 8.089 ( -10.590 -6.114 -6.242) 13.729 19.317 ( -0.252 -0.146 -0.669) 0.730 35.131 ( 1.527 0.881 0.056) 1.764 36.663 ( 4.335 2.503 -0.029) 5.006 50.444 ( -14.842 -8.569 32.190) 36.468======================= Grid point 8 (9/489) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.023 ( 3.221 1.860 1.021) 3.857 3.868 ( 15.371 8.875 11.274) 21.027 4.306 ( -12.311 -7.108 -8.391) 16.507 4.336 ( -0.998 -0.576 -0.610) 1.304 6.112 ( 7.635 4.408 2.118) 9.067 6.372 ( 0.948 0.547 0.423) 1.173 6.964 ( 0.267 0.154 -0.052) 0.313 7.877 ( -5.151 -2.974 -2.605) 6.493 19.312 ( -0.079 -0.046 -0.194) 0.215 35.155 ( 0.538 0.311 0.025) 0.622 36.731 ( 1.517 0.876 0.064) 1.753 50.310 ( -5.020 -2.898 10.747) 12.211======================= Grid point 18 (10/489) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( -0.000 22.133 2.325) 22.255 0.460 ( 0.000 10.089 30.697) 32.313 1.013 ( 0.000 39.457 26.750) 47.670 4.628 ( 0.000 -0.045 0.040) 0.060 4.699 ( -0.000 6.948 0.369) 6.957 6.536 ( 0.000 -8.632 22.524) 24.121 6.815 ( -0.000 0.808 0.362) 0.885 9.178 ( -0.000 -5.273 -6.558) 8.414 19.472 ( -0.000 -0.993 -2.610) 2.792 34.842 ( -0.000 1.156 0.340) 1.205 35.600 ( -0.000 27.576 -55.064) 61.584 54.891 ( 0.000 -281.239 625.862) 686.148======================= Grid point 19 (11/489) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 9.470 9.165 26.466) 29.566 0.855 ( 15.161 18.624 7.045) 25.027 1.655 ( 17.308 35.404 20.815) 44.568 4.647 ( 0.793 1.387 -1.152) 1.969 4.779 ( 1.445 7.964 1.226) 8.186 6.500 ( -4.848 -5.221 17.020) 18.451 6.826 ( 0.008 1.533 -0.128) 1.538 9.096 ( 1.120 -6.459 -11.021) 12.823 19.443 ( -0.553 -1.045 -3.912) 4.087 34.864 ( 0.675 1.870 0.219) 2.000 35.731 ( 8.871 14.552 -30.077) 34.570 54.019 ( -73.104 -126.000 348.211) 377.453======================= Grid point 20 (12/489) =======================q-point: ( 0.18 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 14.771 7.860 23.814) 29.104 1.343 ( 15.796 19.740 8.352) 26.626 2.415 ( 24.731 29.583 15.030) 41.385 4.655 ( -2.283 3.947 -1.519) 4.806 4.922 ( 6.292 5.832 0.847) 8.621 6.428 ( -5.580 -4.725 13.946) 15.747 6.846 ( 0.274 2.261 -0.516) 2.336 8.986 ( -0.157 -7.289 -13.322) 15.187 19.404 ( -0.627 -0.889 -4.453) 4.584 34.904 ( 1.331 2.661 0.089) 2.977 35.901 ( 9.054 9.265 -16.325) 20.840 53.155 ( -59.579 -68.063 214.260) 232.572======================= Grid point 21 (13/489) =======================q-point: ( 0.24 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 18.039 7.645 18.992) 27.286 1.842 ( 14.579 20.759 10.710) 27.535 3.181 ( 27.350 24.207 10.644) 38.044 4.637 ( -4.227 5.268 -1.595) 6.940 5.093 ( 7.681 3.167 0.506) 8.324 6.343 ( -5.194 -4.468 11.298) 13.213 6.874 ( 0.372 2.752 -0.597) 2.840 8.832 ( -2.123 -8.107 -14.248) 16.529 19.369 ( -0.467 -0.716 -4.014) 4.104 34.960 ( 1.652 3.448 0.066) 3.824 36.082 ( 9.073 6.912 -8.644) 14.311 52.448 ( -49.131 -46.441 146.918) 161.727======================= Grid point 22 (14/489) =======================q-point: ( 0.29 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 18.374 8.359 13.460) 24.262 2.334 ( 13.892 19.845 13.203) 27.589 3.885 ( 25.854 17.808 6.377) 32.035 4.606 ( -5.245 6.783 -1.377) 8.684 5.231 ( 6.263 -0.006 0.929) 6.332 6.274 ( -3.058 -3.002 8.258) 9.304 6.906 ( 0.327 2.914 -0.511) 2.976 8.633 ( -4.309 -8.993 -14.022) 17.207 19.341 ( -0.248 -0.610 -3.024) 3.095 35.025 ( 1.547 4.134 0.105) 4.415 36.267 ( 8.883 5.131 -4.086) 11.042 51.822 ( -41.163 -34.790 105.646) 118.600======================= Grid point 23 (15/489) =======================q-point: ( 0.35 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( 15.032 10.524 8.345) 20.158 2.814 ( 14.761 15.994 14.624) 26.222 4.361 ( 10.972 3.008 -0.216) 11.379 4.628 ( -0.621 12.963 -0.043) 12.978 5.342 ( 8.162 0.154 3.178) 8.760 6.261 ( 0.404 -0.793 5.176) 5.252 6.936 ( 0.152 2.747 -0.361) 2.775 8.392 ( -6.329 -9.802 -12.813) 17.330 19.322 ( -0.050 -0.582 -1.950) 2.035 35.091 ( 0.997 4.604 0.149) 4.713 36.443 ( 8.095 3.278 -1.450) 8.853 51.276 ( -33.344 -26.229 75.444) 86.554======================= Grid point 24 (16/489) =======================q-point: ( 0.41 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.844 ( 8.835 12.897 4.669) 16.316 3.269 ( 16.471 9.962 13.662) 23.605 4.387 ( -1.936 -2.167 -1.478) 3.260 4.687 ( -6.267 5.182 -4.125) 9.118 5.619 ( 17.128 6.487 5.622) 19.159 6.304 ( 2.352 0.269 2.876) 3.725 6.960 ( -0.118 2.344 -0.205) 2.356 8.125 ( -7.265 -10.036 -10.761) 16.410 19.311 ( 0.125 -0.589 -1.079) 1.236 35.148 ( 0.062 4.761 0.156) 4.764 36.587 ( 6.523 1.250 -0.144) 6.644 50.827 ( -24.869 -18.792 50.120) 59.022======================= Grid point 25 (17/489) =======================q-point: ( 0.47 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.075 ( 1.171 13.287 1.905) 13.474 3.669 ( 16.958 1.757 9.765) 19.648 4.295 ( -4.290 -5.242 -1.164) 6.873 4.547 ( -11.177 6.609 -4.876) 13.870 5.984 ( 13.854 4.743 4.015) 15.184 6.353 ( 1.890 -0.071 1.389) 2.346 6.976 ( -0.450 1.883 -0.059) 1.937 7.884 ( -4.653 -8.313 -7.593) 12.182 19.305 ( 0.289 -0.579 -0.485) 0.809 35.185 ( -1.120 4.557 0.117) 4.694 36.682 ( 4.219 -0.818 0.265) 4.306 50.496 ( -15.693 -11.966 27.113) 33.535======================= Grid point 26 (18/489) =======================q-point: (-0.47 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.147 ( -6.719 10.217 -0.792) 12.254 3.840 ( 1.661 -13.451 -3.921) 14.109 4.200 ( 2.046 0.676 2.643) 3.410 4.491 ( -5.068 12.874 1.434) 13.910 6.133 ( 0.206 -3.308 0.056) 3.315 6.370 ( 0.187 -1.099 0.385) 1.180 6.981 ( -0.861 1.551 0.086) 1.776 7.794 ( 4.439 -3.007 -2.709) 6.007 19.305 ( 0.458 -0.515 -0.082) 0.694 35.198 ( -2.353 4.010 0.055) 4.650 36.714 ( 1.440 -2.686 0.197) 3.054 50.294 ( -6.050 -5.700 5.658) 10.055======================= Grid point 27 (19/489) =======================q-point: (-0.41 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.041 ( -12.636 3.817 -3.332) 13.614 3.530 ( -14.096 -11.838 -11.789) 21.859 4.319 ( 6.078 0.175 2.595) 6.611 4.618 ( 1.479 12.520 6.407) 14.142 5.936 ( -12.550 -10.661 -3.442) 16.823 6.340 ( -1.660 -2.229 -0.746) 2.878 6.978 ( -1.383 1.414 0.243) 1.993 7.944 ( 12.701 1.679 1.623) 12.914 19.310 ( 0.655 -0.376 0.288) 0.808 35.185 ( -3.426 3.208 0.008) 4.693 36.681 ( -1.425 -4.103 0.080) 4.345 50.228 ( 3.670 -0.130 -14.152) 14.621======================= Grid point 28 (20/489) =======================q-point: (-0.35 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( -15.520 -5.055 -6.359) 17.518 3.096 ( -19.969 -5.364 -13.042) 24.447 4.413 ( 2.903 0.842 2.495) 3.919 4.749 ( -3.493 6.714 5.880) 9.584 5.555 ( -13.747 -12.147 -4.383) 18.861 6.272 ( -2.509 -2.575 -2.150) 4.189 6.964 ( -1.957 1.373 0.411) 2.425 8.219 ( 14.685 2.727 3.616) 15.368 19.323 ( 0.894 -0.170 0.762) 1.187 35.147 ( -4.165 2.282 0.009) 4.749 36.590 ( -3.963 -4.879 0.302) 6.293 50.292 ( 12.884 4.474 -32.006) 34.791======================= Grid point 29 (21/489) =======================q-point: (-0.29 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.369 ( -16.743 -12.997 -11.241) 23.992 2.650 ( -23.939 0.880 -10.636) 26.210 4.376 ( -11.661 -9.349 2.357) 15.131 4.635 ( -11.476 6.411 1.034) 13.186 5.318 ( -1.938 -6.774 -0.315) 7.053 6.202 ( -1.165 -1.529 -3.896) 4.344 6.942 ( -2.422 1.302 0.583) 2.811 8.503 ( 13.602 2.116 4.156) 14.379 19.344 ( 1.152 0.058 1.371) 1.792 35.091 ( -4.467 1.383 0.062) 4.677 36.460 ( -5.830 -4.937 1.156) 7.726 50.470 ( 20.747 7.710 -47.774) 52.652======================= Grid point 30 (22/489) =======================q-point: (-0.24 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -17.945 -14.537 -15.204) 27.650 2.204 ( -25.743 1.812 -7.637) 26.913 3.836 ( -31.491 -14.708 -1.255) 34.779 4.623 ( -2.748 7.574 1.098) 8.131 5.240 ( -2.579 -6.390 2.596) 7.364 6.184 ( 2.176 0.360 -5.383) 5.817 6.914 ( -2.628 1.133 0.721) 2.952 8.749 ( 11.472 1.095 3.757) 12.121 19.374 ( 1.383 0.244 1.968) 2.418 35.026 ( -4.319 0.641 0.138) 4.368 36.314 ( -6.814 -4.320 2.777) 8.533 50.723 ( 26.170 9.098 -61.430) 67.389======================= Grid point 31 (23/489) =======================q-point: (-0.18 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -18.523 -12.243 -16.478) 27.650 1.744 ( -26.282 0.319 -5.414) 26.835 3.098 ( -37.290 -13.324 -2.357) 39.669 4.653 ( -2.425 6.325 0.833) 6.825 5.107 ( -6.511 -6.969 2.924) 9.975 6.230 ( 4.485 1.318 -5.551) 7.257 6.882 ( -2.501 0.838 0.738) 2.739 8.944 ( 9.038 0.187 2.649) 9.420 19.411 ( 1.510 0.321 2.210) 2.696 34.961 ( -3.777 0.144 0.185) 3.785 36.176 ( -6.822 -3.158 5.005) 9.031 50.988 ( 27.819 8.172 -71.781) 77.415======================= Grid point 32 (24/489) =======================q-point: (-0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( -18.206 -7.865 -13.895) 24.216 1.276 ( -26.120 -0.995 -3.209) 26.335 2.309 ( -41.128 -9.057 -2.041) 42.163 4.668 ( -2.401 4.432 0.391) 5.056 4.927 ( -8.104 -5.343 1.965) 9.903 6.300 ( 4.556 1.061 -4.206) 6.291 6.852 ( -2.044 0.420 0.522) 2.151 9.083 ( 6.573 -0.281 1.163) 6.682 19.448 ( 1.434 0.239 1.650) 2.199 34.904 ( -2.949 -0.071 0.149) 2.953 36.069 ( -5.757 -1.610 6.625) 8.923 51.190 ( 23.767 4.686 -70.104) 74.172======================= Grid point 33 (25/489) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( -16.996 0.000 0.000) 16.996 0.822 ( -25.304 0.000 0.000) 25.304 1.529 ( -43.927 0.000 0.000) 43.927 4.657 ( -1.764 0.000 0.000) 1.764 4.768 ( -7.305 0.000 0.000) 7.305 6.363 ( 3.258 -0.000 -0.000) 3.258 6.827 ( -1.330 0.000 0.000) 1.330 9.175 ( 4.181 -0.000 -0.000) 4.181 19.475 ( 1.090 -0.000 -0.000) 1.090 34.862 ( -1.957 0.000 0.000) 1.957 36.002 ( -3.718 0.000 0.000) 3.718 51.332 ( 13.872 -0.000 -0.000) 13.872======================= Grid point 36 (26/489) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -0.000 21.705 2.426) 21.841 0.919 ( 0.000 10.277 29.683) 31.412 1.995 ( 0.000 38.639 23.480) 45.214 4.626 ( 0.000 -0.160 0.062) 0.171 4.894 ( -0.000 11.998 0.847) 12.028 6.563 ( 0.000 -6.345 17.603) 18.712 6.842 ( -0.000 1.394 0.599) 1.518 8.945 ( -0.000 -8.306 -16.233) 18.234 19.418 ( -0.000 -1.404 -4.220) 4.448 34.879 ( -0.000 2.125 0.597) 2.207 35.703 ( -0.000 17.464 -24.239) 29.875 54.649 ( 0.000 -151.972 312.260) 347.278======================= Grid point 37 (27/489) =======================q-point: ( 0.18 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 6.310 11.288 23.940) 27.210 1.286 ( 14.751 18.933 6.965) 24.991 2.541 ( 8.902 36.158 19.867) 42.206 4.655 ( 2.983 0.417 -0.857) 3.131 4.999 ( -2.203 12.402 1.829) 12.728 6.529 ( -4.648 -6.516 16.419) 18.266 6.864 ( 0.408 2.132 0.326) 2.195 8.804 ( 2.376 -9.649 -19.284) 21.694 19.382 ( -0.300 -1.193 -4.559) 4.722 34.913 ( 0.972 2.800 0.538) 3.013 35.822 ( 4.938 14.024 -16.154) 21.955 54.126 ( -38.357 -108.757 231.996) 259.078======================= Grid point 38 (28/489) =======================q-point: ( 0.24 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 11.317 9.677 22.887) 27.305 1.796 ( 18.491 19.897 5.769) 27.769 3.149 ( 14.478 31.023 15.036) 37.392 4.710 ( 1.881 2.871 -2.167) 4.059 5.087 ( -1.019 9.058 3.140) 9.640 6.436 ( -5.767 -6.686 13.780) 16.366 6.898 ( 0.414 3.113 0.011) 3.140 8.661 ( 2.158 -10.672 -20.055) 22.820 19.348 ( -0.223 -0.857 -4.283) 4.373 34.971 ( 1.685 3.886 0.426) 4.256 35.988 ( 6.681 10.485 -9.643) 15.734 53.361 ( -44.820 -75.036 169.678) 190.866======================= Grid point 39 (29/489) =======================q-point: ( 0.29 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 14.815 9.025 19.245) 25.909 2.327 ( 16.899 20.807 6.732) 27.637 3.747 ( 17.204 23.902 9.369) 30.904 4.749 ( -1.635 6.846 -2.369) 7.426 5.166 ( 1.495 2.897 4.072) 5.216 6.336 ( -4.452 -5.654 10.242) 12.518 6.936 ( 0.097 3.707 -0.206) 3.714 8.491 ( 0.441 -11.467 -19.087) 22.271 19.322 ( -0.017 -0.674 -3.426) 3.492 35.048 ( 1.775 5.198 0.382) 5.506 36.165 ( 7.388 7.308 -5.038) 11.549 52.611 ( -42.701 -54.372 125.476) 143.262======================= Grid point 40 (30/489) =======================q-point: ( 0.35 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( 16.358 8.845 15.283) 24.071 2.820 ( 13.240 20.574 7.498) 25.589 4.228 ( 12.673 13.197 1.987) 18.404 4.786 ( -2.427 10.667 -1.290) 11.015 5.236 ( 4.316 -0.889 5.747) 7.242 6.276 ( -1.410 -3.216 6.675) 7.542 6.970 ( -0.301 3.785 -0.317) 3.811 8.286 ( -1.770 -12.192 -17.008) 21.001 19.305 ( 0.171 -0.682 -2.362) 2.465 35.133 ( 1.157 6.510 0.372) 6.623 36.334 ( 7.503 4.139 -2.054) 8.812 51.925 ( -37.960 -40.351 92.144) 107.516======================= Grid point 41 (31/489) =======================q-point: ( 0.41 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( 15.506 9.618 11.402) 21.516 3.231 ( 9.144 17.507 6.952) 20.939 4.398 ( -0.209 2.542 -2.055) 3.275 4.827 ( -4.143 6.786 -3.693) 8.767 5.429 ( 13.765 4.833 8.358) 16.814 6.281 ( 1.485 -1.235 4.003) 4.444 6.996 ( -0.680 3.443 -0.328) 3.525 8.050 ( -3.590 -12.642 -14.313) 19.431 19.294 ( 0.326 -0.792 -1.415) 1.654 35.213 ( -0.106 7.554 0.344) 7.562 36.478 ( 6.980 0.950 -0.368) 7.054 51.324 ( -31.732 -29.578 64.782) 77.965======================= Grid point 42 (32/489) =======================q-point: ( 0.47 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.167 ( 10.687 12.769 7.434) 18.235 3.514 ( 5.766 8.339 3.860) 10.848 4.335 ( -4.984 -2.577 -0.216) 5.615 4.759 ( -7.614 7.012 -5.010) 11.500 5.790 ( 16.184 5.146 6.354) 18.132 6.320 ( 2.301 -0.890 2.294) 3.369 7.012 ( -0.962 2.942 -0.240) 3.104 7.810 ( -3.281 -11.928 -11.148) 16.653 19.288 ( 0.485 -0.890 -0.732) 1.250 35.276 ( -1.801 8.065 0.274) 8.268 36.582 ( 5.750 -1.998 0.339) 6.097 50.826 ( -24.333 -20.678 40.908) 51.895======================= Grid point 43 (33/489) =======================q-point: ( 0.53 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.418 ( -5.332 19.833 1.238) 20.575 3.610 ( 7.088 -10.349 -0.696) 12.563 4.227 ( -3.676 -1.810 1.593) 4.396 4.718 ( -5.941 12.230 -1.178) 13.648 6.047 ( 7.360 -1.490 2.559) 7.933 6.347 ( 1.231 -1.713 1.039) 2.351 7.020 ( -1.162 2.596 -0.044) 2.844 7.654 ( 2.752 -8.146 -6.944) 11.053 19.287 ( 0.673 -0.897 -0.295) 1.160 35.310 ( -3.599 7.867 0.178) 8.653 36.634 ( 3.869 -4.327 0.415) 5.819 50.446 ( -16.007 -13.146 19.683) 28.573======================= Grid point 44 (34/489) =======================q-point: (-0.41 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.305 ( -15.017 0.133 -6.887) 16.521 3.586 ( -5.723 0.696 -3.038) 6.517 4.242 ( 4.573 1.379 2.912) 5.594 4.784 ( -2.409 13.110 3.902) 13.889 5.991 ( -7.069 -10.009 -1.694) 12.371 6.332 ( -0.583 -2.876 -0.168) 2.939 7.024 ( -1.462 2.528 0.228) 2.929 7.718 ( 12.691 -2.575 -2.277) 13.149 19.291 ( 0.909 -0.775 0.011) 1.194 35.309 ( -5.147 6.936 0.091) 8.638 36.632 ( 1.538 -5.708 0.234) 5.916 50.196 ( -7.088 -6.865 1.267) 9.949======================= Grid point 45 (35/489) =======================q-point: (-0.35 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.945 ( -16.416 -9.774 -9.541) 21.356 3.390 ( -18.541 6.730 -5.636) 20.514 4.381 ( 5.349 3.895 3.370) 7.425 4.896 ( -1.221 9.821 6.274) 11.718 5.652 ( -15.096 -14.413 -4.351) 21.320 6.274 ( -2.019 -3.443 -1.296) 4.196 7.021 ( -2.004 2.535 0.466) 3.265 7.965 ( 17.117 -0.228 0.257) 17.121 19.303 ( 1.195 -0.534 0.310) 1.345 35.273 ( -6.157 5.435 0.048) 8.213 36.579 ( -0.920 -5.988 0.142) 6.060 50.082 ( 1.868 -1.939 -13.674) 13.937======================= Grid point 46 (36/489) =======================q-point: (-0.29 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.499 ( -18.187 -11.550 -10.548) 23.988 3.065 ( -24.036 6.593 -5.907) 25.614 4.471 ( -2.871 2.501 4.027) 5.542 4.922 ( -11.014 6.080 4.119) 13.238 5.269 ( -6.228 -12.999 -3.573) 14.850 6.197 ( -2.083 -2.808 -2.351) 4.213 7.008 ( -2.643 2.352 0.600) 3.588 8.261 ( 16.947 -0.067 1.097) 16.983 19.324 ( 1.501 -0.243 0.643) 1.651 35.209 ( -6.490 3.665 0.054) 7.454 36.490 ( -3.132 -5.244 0.368) 6.119 50.101 ( 10.001 1.377 -24.228) 26.247======================= Grid point 47 (37/489) =======================q-point: (-0.24 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( -19.779 -10.063 -10.102) 24.383 2.662 ( -26.908 4.651 -4.805) 27.727 4.216 ( -25.766 -7.651 2.074) 26.958 4.797 ( -7.431 9.239 -0.917) 11.892 5.179 ( 2.368 -8.284 2.358) 8.933 6.145 ( -0.037 -1.097 -2.958) 3.155 6.982 ( -3.103 1.830 0.597) 3.652 8.537 ( 14.919 -0.358 1.118) 14.965 19.355 ( 1.762 -0.004 0.902) 1.980 35.129 ( -6.166 1.983 0.082) 6.478 36.380 ( -4.757 -3.743 0.903) 6.120 50.233 ( 16.185 2.800 -28.922) 33.261======================= Grid point 48 (38/489) =======================q-point: (-0.18 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -20.812 -6.250 -7.282) 22.918 2.209 ( -28.205 2.074 -2.760) 28.416 3.614 ( -34.921 -6.251 -0.101) 35.476 4.786 ( -4.673 7.028 -0.247) 8.444 5.123 ( -1.847 -6.388 2.182) 6.999 6.155 ( 2.967 0.139 -2.276) 3.742 6.944 ( -3.180 0.972 0.410) 3.350 8.767 ( 12.189 -0.401 0.686) 12.215 19.390 ( 1.893 0.091 0.809) 2.060 35.044 ( -5.333 0.691 0.079) 5.378 36.268 ( -5.568 -1.860 1.280) 6.008 50.448 ( 19.344 2.234 -24.200) 31.061======================= Grid point 49 (39/489) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -20.718 0.000 0.000) 20.718 1.732 ( -28.073 0.000 0.000) 28.073 2.948 ( -39.122 0.000 0.000) 39.122 4.750 ( -3.780 0.000 0.000) 3.780 5.024 ( -6.064 0.000 0.000) 6.064 6.218 ( 4.563 -0.000 -0.000) 4.563 6.898 ( -2.816 0.000 0.000) 2.816 8.949 ( 9.303 -0.000 -0.000) 9.303 19.425 ( 1.800 -0.000 -0.000) 1.800 34.966 ( -4.195 0.000 0.000) 4.195 36.167 ( -5.592 0.000 0.000) 5.592 50.731 ( 19.648 -0.000 -0.000) 19.648======================= Grid point 54 (40/489) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( -0.000 20.767 2.439) 20.909 1.365 ( 0.000 9.840 27.984) 29.663 2.921 ( -0.000 37.249 18.527) 41.602 4.621 ( 0.000 -0.407 0.052) 0.410 5.165 ( -0.000 14.126 1.270) 14.183 6.574 ( 0.000 -8.092 17.163) 18.975 6.878 ( -0.000 1.653 0.660) 1.780 8.590 ( -0.000 -10.169 -23.183) 25.316 19.354 ( -0.000 -1.144 -4.499) 4.642 34.933 ( -0.000 2.760 0.721) 2.853 35.867 ( -0.000 15.188 -12.677) 19.783 54.282 ( 0.000 -110.710 205.564) 233.481======================= Grid point 55 (41/489) =======================q-point: ( 0.24 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 4.922 10.724 22.668) 25.555 1.707 ( 14.486 18.160 5.858) 23.958 3.390 ( 4.353 34.911 14.998) 38.245 4.651 ( 3.737 -0.197 -0.552) 3.783 5.273 ( -3.979 13.227 2.075) 13.968 6.514 ( -4.685 -9.214 15.382) 18.532 6.911 ( 1.297 2.139 0.662) 2.588 8.411 ( 2.694 -10.675 -24.256) 26.637 19.324 ( -0.065 -0.818 -4.169) 4.249 34.979 ( 1.633 3.297 0.680) 3.742 35.989 ( 2.628 13.513 -8.518) 16.188 53.857 ( -23.756 -90.859 167.081) 191.666======================= Grid point 56 (42/489) =======================q-point: ( 0.29 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 9.338 8.543 22.253) 25.600 2.216 ( 20.513 18.901 3.278) 28.085 3.859 ( 6.444 29.781 10.057) 32.087 4.729 ( 5.314 0.902 -1.668) 5.642 5.309 ( -6.417 9.871 4.104) 12.468 6.395 ( -4.975 -8.637 11.629) 15.316 6.961 ( 1.168 2.915 0.398) 3.165 8.253 ( 2.955 -11.422 -22.676) 25.562 19.301 ( 0.049 -0.568 -3.452) 3.499 35.059 ( 2.850 4.460 0.628) 5.330 36.135 ( 3.740 10.539 -4.898) 12.209 53.208 ( -33.250 -69.914 131.132) 152.280======================= Grid point 57 (43/489) =======================q-point: ( 0.35 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 13.026 7.018 18.830) 23.948 2.768 ( 19.646 19.617 3.369) 27.967 4.250 ( 5.634 21.465 2.836) 22.373 4.822 ( 4.491 2.030 -2.685) 5.613 5.303 ( -5.365 6.385 7.783) 11.407 6.297 ( -2.523 -5.903 7.602) 9.950 7.006 ( 0.422 3.365 -0.055) 3.391 8.085 ( 1.423 -12.304 -19.617) 23.200 19.285 ( 0.187 -0.551 -2.510) 2.577 35.165 ( 3.045 6.146 0.610) 6.886 36.274 ( 4.254 6.751 -2.224) 8.284 52.513 ( -35.320 -52.784 100.227) 118.655======================= Grid point 58 (44/489) =======================q-point: ( 0.41 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( 15.553 5.189 14.920) 22.168 3.270 ( 13.811 20.502 3.537) 24.972 4.453 ( -0.973 10.960 -3.831) 11.651 4.870 ( 1.607 -0.452 -4.348) 4.658 5.386 ( 3.042 8.702 11.389) 14.652 6.263 ( 0.406 -3.023 4.631) 5.545 7.039 ( -0.343 3.316 -0.423) 3.360 7.890 ( -0.649 -13.074 -16.080) 20.734 19.274 ( 0.303 -0.706 -1.596) 1.772 35.282 ( 1.994 8.089 0.580) 8.351 36.388 ( 4.545 2.417 -0.535) 5.175 51.846 ( -33.553 -39.062 73.500) 89.744======================= Grid point 59 (45/489) =======================q-point: ( 0.47 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.012 ( 16.660 2.342 10.789) 19.986 3.640 ( 3.688 20.746 1.831) 21.151 4.416 ( -6.847 1.044 -2.851) 7.490 4.862 ( -0.348 3.036 -5.817) 6.571 5.644 ( 10.547 7.527 9.362) 15.985 6.280 ( 2.085 -1.894 2.826) 3.990 7.057 ( -0.864 2.971 -0.592) 3.150 7.676 ( -1.805 -13.064 -12.523) 18.187 19.267 ( 0.436 -0.890 -0.885) 1.329 35.389 ( -0.223 9.812 0.493) 9.827 36.469 ( 4.690 -1.935 0.301) 5.082 51.244 ( -29.409 -27.881 49.981) 64.346======================= Grid point 60 (46/489) =======================q-point: ( 0.53 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.315 ( 14.256 -4.496 4.718) 15.675 3.796 ( -8.746 21.086 -1.703) 22.891 4.289 ( -5.286 -2.242 1.190) 5.864 4.885 ( -1.436 9.178 -3.708) 10.002 5.904 ( 9.628 0.872 5.209) 10.982 6.305 ( 1.894 -2.374 1.461) 3.370 7.066 ( -1.034 2.715 -0.492) 2.946 7.494 ( 0.781 -10.824 -8.760) 13.946 19.264 ( 0.630 -0.979 -0.421) 1.238 35.464 ( -3.149 10.646 0.356) 11.107 36.512 ( 4.548 -5.443 0.508) 7.111 50.734 ( -23.517 -18.706 29.396) 42.037======================= Grid point 61 (47/489) =======================q-point: (-0.41 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.340 ( -1.979 -12.478 -5.689) 13.856 3.847 ( -9.466 21.785 1.023) 23.775 4.226 ( -0.582 0.015 2.049) 2.131 4.956 ( -1.694 11.020 0.875) 11.183 5.967 ( -0.932 -7.735 0.676) 7.821 6.302 ( 0.529 -3.343 0.177) 3.389 7.073 ( -1.103 2.770 -0.075) 2.983 7.465 ( 9.664 -5.804 -4.575) 12.166 19.267 ( 0.901 -0.907 -0.142) 1.286 35.489 ( -5.973 9.973 0.214) 11.627 36.523 ( 3.807 -7.205 0.365) 8.157 50.337 ( -16.277 -11.292 12.157) 23.243======================= Grid point 62 (48/489) =======================q-point: (-0.35 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.050 ( -12.585 -11.212 -8.124) 18.711 3.786 ( -17.767 12.671 -2.212) 21.935 4.339 ( 7.083 6.718 3.832) 10.487 5.032 ( -1.823 7.689 3.929) 8.825 5.740 ( -12.206 -12.370 -2.684) 17.584 6.260 ( -1.054 -3.739 -0.760) 3.958 7.079 ( -1.497 2.703 0.339) 3.108 7.653 ( 17.230 -2.250 -1.686) 17.458 19.277 ( 1.239 -0.679 0.052) 1.413 35.459 ( -7.874 7.749 0.111) 11.049 36.506 ( 2.237 -6.873 0.161) 7.230 50.069 ( -8.164 -5.602 -0.858) 9.938======================= Grid point 63 (49/489) =======================q-point: (-0.29 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( -17.015 -8.678 -7.174) 20.403 3.520 ( -22.891 7.487 -3.250) 24.303 4.548 ( 3.838 10.168 4.065) 11.604 5.066 ( -0.714 -0.726 4.915) 5.019 5.343 ( -18.107 -9.760 -4.701) 21.101 6.195 ( -1.914 -3.050 -1.309) 3.831 7.075 ( -2.153 2.204 0.468) 3.117 7.948 ( 19.048 -1.086 -0.444) 19.084 19.296 ( 1.594 -0.371 0.208) 1.650 35.379 ( -8.495 4.717 0.056) 9.717 36.467 ( 0.019 -4.966 0.097) 4.967 49.945 ( 0.118 -1.744 -8.482) 8.661======================= Grid point 64 (50/489) =======================q-point: (-0.24 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -19.664 -5.029 -4.614) 20.815 3.144 ( -26.117 3.628 -2.206) 26.460 4.574 ( -17.163 3.443 3.635) 17.878 4.998 ( -2.692 -2.766 -7.089) 8.071 5.058 ( -3.999 -2.492 5.822) 7.490 6.137 ( -1.397 -1.323 -1.176) 2.255 7.051 ( -2.838 1.237 0.330) 3.114 8.255 ( 17.767 -0.548 0.027) 17.776 19.325 ( 1.883 -0.107 0.257) 1.904 35.270 ( -8.010 1.899 0.033) 8.232 36.411 ( -2.304 -2.419 0.164) 3.345 49.966 ( 7.686 0.139 -9.119) 11.927======================= Grid point 65 (51/489) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -21.069 0.000 0.000) 21.069 2.695 ( -27.958 0.000 0.000) 27.958 4.145 ( -30.444 0.000 0.000) 30.444 4.924 ( -6.828 0.000 0.000) 6.828 5.070 ( 4.173 -0.000 -0.000) 4.173 6.119 ( 0.548 -0.000 -0.000) 0.548 7.006 ( -3.251 0.000 0.000) 3.251 8.533 ( 15.194 -0.000 -0.000) 15.194 19.359 ( 2.011 -0.000 -0.000) 2.011 35.152 ( -6.829 0.000 0.000) 6.829 36.344 ( -4.214 0.000 0.000) 4.214 50.130 ( 13.888 -0.000 -0.000) 13.888======================= Grid point 72 (52/489) =======================q-point: ( 0.24 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( -0.000 19.100 2.254) 19.233 1.773 ( 0.000 8.243 25.386) 26.691 3.764 ( -0.000 35.074 12.254) 37.153 4.610 ( 0.000 -0.798 0.010) 0.798 5.449 ( -0.000 13.097 1.463) 13.178 6.521 ( 0.000 -11.878 15.284) 19.357 6.915 ( -0.000 1.615 0.583) 1.717 8.180 ( -0.000 -9.464 -25.607) 27.300 19.301 ( -0.000 -0.570 -3.805) 3.847 34.997 ( -0.000 2.987 0.706) 3.070 36.076 ( -0.000 14.178 -6.229) 15.486 53.840 ( 0.000 -88.056 148.460) 172.611======================= Grid point 73 (53/489) =======================q-point: ( 0.29 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 4.005 7.926 21.706) 23.452 2.092 ( 14.593 16.877 3.424) 22.572 4.151 ( 0.735 32.011 8.033) 33.011 4.638 ( 4.131 -0.579 -0.390) 4.189 5.532 ( -4.936 10.691 2.496) 12.037 6.421 ( -3.613 -12.077 11.923) 17.352 6.955 ( 2.113 1.690 0.613) 2.774 8.005 ( 2.087 -9.010 -23.579) 25.328 19.281 ( 0.033 -0.321 -3.192) 3.208 35.051 ( 2.492 3.330 0.662) 4.212 36.196 ( 0.754 12.731 -3.784) 13.303 53.466 ( -16.697 -74.960 124.008) 145.862======================= Grid point 74 (54/489) =======================q-point: ( 0.35 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.231 ( 8.018 5.363 19.883) 22.100 2.589 ( 22.080 16.900 1.684) 27.856 4.455 ( -0.514 24.065 1.803) 24.138 4.726 ( 5.587 1.035 -1.401) 5.852 5.526 ( -7.376 7.647 6.062) 12.232 6.303 ( -2.458 -8.522 7.589) 11.673 7.012 ( 2.068 1.938 0.195) 2.841 7.858 ( 1.910 -9.726 -19.670) 22.026 19.268 ( 0.088 -0.264 -2.402) 2.418 35.152 ( 4.565 4.358 0.653) 6.345 36.308 ( 0.536 9.752 -1.770) 9.925 52.912 ( -25.868 -59.440 98.909) 118.259======================= Grid point 75 (55/489) =======================q-point: ( 0.41 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.515 ( 11.533 2.967 15.668) 19.680 3.152 ( 22.663 17.192 2.001) 28.516 4.618 ( -2.923 16.653 -4.901) 17.603 4.780 ( 2.085 -3.139 -3.172) 4.925 5.542 ( -3.310 9.232 10.534) 14.393 6.245 ( -0.181 -4.379 4.427) 6.229 7.059 ( 1.110 2.021 -0.505) 2.360 7.702 ( 0.354 -10.845 -15.419) 18.854 19.258 ( 0.130 -0.407 -1.595) 1.652 35.292 ( 5.382 6.077 0.667) 8.145 36.385 ( 0.119 5.562 -0.415) 5.578 52.295 ( -29.731 -44.863 75.039) 92.344======================= Grid point 76 (56/489) =======================q-point: ( 0.47 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.805 ( 13.847 -0.075 10.697) 17.498 3.681 ( 16.805 18.435 2.872) 25.109 4.582 ( -10.927 5.444 -7.071) 14.107 4.794 ( 5.225 -0.218 -4.296) 6.767 5.676 ( 1.688 9.557 10.121) 14.022 6.239 ( 1.403 -2.502 2.714) 3.949 7.085 ( 0.203 1.829 -1.117) 2.153 7.527 ( -1.244 -11.334 -11.383) 16.112 19.250 ( 0.199 -0.626 -0.923) 1.133 35.451 ( 4.376 8.401 0.636) 9.494 36.416 ( 0.132 0.471 0.287) 0.567 51.681 ( -29.997 -32.187 53.082) 68.946======================= Grid point 77 (57/489) =======================q-point: ( 0.53 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.056 ( 13.315 -4.163 4.918) 14.792 4.070 ( 4.052 20.405 2.653) 20.972 4.393 ( -9.811 -0.051 -2.987) 10.256 4.888 ( 5.862 4.399 -5.746) 9.313 5.832 ( 3.772 3.763 6.929) 8.741 6.254 ( 1.810 -2.565 1.497) 3.478 7.095 ( -0.145 1.589 -1.479) 2.176 7.356 ( -1.064 -9.947 -7.498) 12.502 19.245 ( 0.357 -0.775 -0.462) 0.970 35.599 ( 1.122 10.914 0.518) 10.984 36.405 ( 1.214 -4.852 0.485) 5.025 51.110 ( -27.586 -21.581 33.610) 48.542======================= Grid point 78 (58/489) =======================q-point: ( 0.59 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( 6.145 -8.305 -1.487) 10.438 4.233 ( -8.537 22.076 0.730) 23.680 4.268 ( -3.842 -1.008 1.218) 4.154 5.022 ( 4.873 6.519 -2.550) 8.529 5.901 ( 1.239 -4.623 2.892) 5.592 6.255 ( 1.094 -3.159 0.338) 3.360 7.106 ( 0.197 2.022 -1.144) 2.331 7.265 ( 3.782 -6.542 -4.026) 8.562 19.244 ( 0.634 -0.760 -0.193) 1.008 35.692 ( -4.146 12.028 0.340) 12.727 36.378 ( 3.535 -8.517 0.382) 9.229 50.618 ( -22.982 -13.031 17.440) 31.656======================= Grid point 79 (59/489) =======================q-point: (-0.35 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( -5.419 -8.181 -4.571) 10.825 4.159 ( -12.365 4.874 -0.601) 13.304 4.350 ( 1.311 14.080 2.729) 14.402 5.121 ( 0.206 3.953 0.849) 4.049 5.791 ( -6.633 -8.491 -0.512) 10.786 6.233 ( -0.100 -3.127 -0.332) 3.146 7.124 ( -0.699 2.304 -0.040) 2.408 7.350 ( 13.410 -3.197 -2.017) 13.932 19.251 ( 1.010 -0.566 -0.047) 1.158 35.686 ( -8.838 9.171 0.173) 12.737 36.372 ( 5.031 -7.650 0.182) 9.158 50.233 ( -16.580 -6.536 5.632) 18.691======================= Grid point 80 (60/489) =======================q-point: (-0.29 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.835 ( -13.168 -4.600 -3.308) 14.335 3.930 ( -18.967 3.634 -1.247) 19.352 4.561 ( 7.456 9.977 2.464) 12.696 5.092 ( -4.697 -3.800 1.170) 6.154 5.546 ( -13.407 -3.725 -1.250) 13.971 6.192 ( -1.248 -2.029 -0.521) 2.439 7.124 ( -1.419 1.298 0.201) 1.933 7.607 ( 18.865 -1.078 -0.690) 18.908 19.268 ( 1.415 -0.267 0.028) 1.440 35.584 ( -10.313 3.972 0.058) 11.051 36.394 ( 3.594 -3.653 0.048) 5.125 49.983 ( -8.906 -2.160 -0.619) 9.185======================= Grid point 81 (61/489) =======================q-point: (-0.24 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.541 ( -17.507 0.000 0.000) 17.507 3.582 ( -23.478 0.000 0.000) 23.478 4.790 ( 10.502 -0.000 -0.000) 10.502 4.904 ( -12.855 0.000 0.000) 12.855 5.284 ( -14.773 0.000 0.000) 14.773 6.154 ( -1.697 0.000 0.000) 1.697 7.101 ( -2.154 0.000 0.000) 2.154 7.932 ( 19.536 -0.000 -0.000) 19.536 19.293 ( 1.743 -0.000 -0.000) 1.743 35.431 ( -9.587 0.000 0.000) 9.587 36.413 ( 0.640 -0.000 -0.000) 0.640 49.889 ( -0.632 0.000 0.000) 0.632======================= Grid point 90 (62/489) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( 0.000 5.331 21.497) 22.148 2.126 ( -0.000 16.544 1.855) 16.648 4.491 ( -0.000 31.261 4.196) 31.542 4.590 ( 0.000 -1.242 -0.046) 1.243 5.681 ( -0.000 8.316 2.292) 8.626 6.370 ( 0.000 -13.593 9.874) 16.801 6.949 ( -0.000 1.382 0.445) 1.452 7.816 ( -0.000 -6.689 -21.063) 22.099 19.267 ( -0.000 -0.064 -2.714) 2.715 35.060 ( -0.000 2.804 0.587) 2.865 36.307 ( -0.000 12.824 -2.293) 13.027 53.388 ( 0.000 -69.721 108.890) 129.298======================= Grid point 91 (63/489) =======================q-point: ( 0.35 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.263 ( 3.302 3.674 18.669) 19.311 2.423 ( 14.864 14.725 1.426) 20.971 4.593 ( 1.766 0.129 -0.006) 1.771 4.783 ( -0.607 24.706 -2.241) 24.815 5.716 ( -4.375 4.536 5.437) 8.323 6.274 ( -1.026 -9.145 6.136) 11.061 6.986 ( 2.282 1.094 0.217) 2.540 7.679 ( 0.531 -6.380 -16.774) 17.954 19.257 ( -0.003 0.042 -2.091) 2.092 35.118 ( 3.386 2.924 0.535) 4.505 36.413 ( -0.894 11.101 -0.944) 11.177 53.065 ( -12.917 -58.514 89.954) 108.085======================= Grid point 92 (64/489) =======================q-point: ( 0.41 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( 6.817 1.241 14.867) 16.402 2.903 ( 23.569 13.737 1.074) 27.301 4.636 ( 3.843 -1.693 -0.507) 4.230 4.900 ( -6.644 15.816 -9.223) 19.477 5.724 ( -3.312 6.174 10.393) 12.534 6.223 ( -0.209 -3.608 3.214) 4.837 7.036 ( 2.456 0.659 -0.552) 2.603 7.553 ( -0.421 -7.261 -12.445) 14.414 19.249 ( -0.049 -0.049 -1.431) 1.433 35.236 ( 6.419 3.624 0.536) 7.391 36.477 ( -2.547 8.018 -0.017) 8.413 52.600 ( -21.448 -45.314 69.811) 85.947======================= Grid point 93 (65/489) =======================q-point: ( 0.47 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( 9.744 -1.167 9.885) 13.929 3.470 ( 25.948 13.326 1.797) 29.225 4.652 ( 1.150 -5.833 -1.908) 6.244 4.842 ( -7.903 11.753 -9.773) 17.208 5.811 ( -1.253 8.412 9.993) 13.122 6.213 ( 0.368 -1.457 1.855) 2.387 7.071 ( 1.677 0.104 -1.564) 2.296 7.415 ( -1.755 -7.699 -8.377) 11.513 19.241 ( -0.080 -0.252 -0.851) 0.891 35.407 ( 8.262 4.900 0.542) 9.621 36.479 ( -4.262 3.933 0.426) 5.815 52.065 ( -26.201 -32.463 50.078) 65.178======================= Grid point 94 (66/489) =======================q-point: ( 0.53 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.830 ( 11.109 -3.399 4.785) 12.564 4.028 ( 21.475 13.657 3.524) 25.692 4.531 ( -6.202 -3.307 -3.782) 7.982 4.839 ( -0.448 7.403 -6.768) 10.041 5.893 ( -1.597 4.731 6.774) 8.415 6.216 ( 0.736 -1.351 1.110) 1.897 7.082 ( 1.008 -0.751 -2.558) 2.850 7.282 ( -2.304 -6.088 -4.343) 7.825 19.234 ( -0.009 -0.424 -0.430) 0.604 35.609 ( 8.257 6.846 0.490) 10.737 36.413 ( -5.339 -0.910 0.476) 5.437 51.516 ( -27.789 -21.104 32.009) 47.351======================= Grid point 95 (67/489) =======================q-point: ( 0.59 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( 9.102 -4.698 0.534) 10.257 4.332 ( -3.006 0.191 1.626) 3.422 4.509 ( 3.019 16.032 1.379) 16.372 4.904 ( 7.401 1.339 -6.026) 9.638 5.895 ( -2.697 -1.569 3.463) 4.662 6.216 ( 0.591 -1.643 0.383) 1.788 7.077 ( 1.699 -1.476 -2.854) 3.634 7.197 ( -1.265 -2.520 -0.999) 2.992 19.230 ( 0.221 -0.448 -0.179) 0.531 35.812 ( 5.101 9.926 0.359) 11.166 36.292 ( -4.227 -6.627 0.304) 7.866 50.995 ( -26.567 -11.756 16.819) 33.569======================= Grid point 96 (68/489) =======================q-point: (-0.35 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.035 ( 2.363 -3.680 -1.351) 4.577 4.263 ( -3.223 -0.334 0.526) 3.282 4.609 ( -8.717 12.667 1.193) 15.423 5.066 ( 9.677 -0.150 -1.643) 9.817 5.812 ( -4.120 -4.088 0.747) 5.852 6.208 ( 0.110 -1.368 -0.010) 1.372 7.120 ( 5.634 0.562 -1.571) 5.876 7.171 ( 0.753 -1.685 0.135) 1.850 19.233 ( 0.598 -0.285 -0.052) 0.665 35.926 ( -6.902 10.838 0.177) 12.850 36.195 ( 5.185 -9.598 0.102) 10.909 50.540 ( -22.773 -4.672 5.751) 23.948======================= Grid point 97 (69/489) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( -6.412 0.000 0.000) 6.412 4.184 ( -8.482 0.000 0.000) 8.482 4.559 ( -2.203 0.000 0.000) 2.203 5.137 ( -0.727 0.000 0.000) 0.727 5.698 ( -7.286 0.000 0.000) 7.286 6.196 ( -0.579 0.000 0.000) 0.579 7.150 ( -0.907 0.000 0.000) 0.907 7.307 ( 14.721 -0.000 -0.000) 14.721 19.245 ( 1.040 -0.000 -0.000) 1.040 35.795 ( -11.652 0.000 0.000) 11.652 36.280 ( 7.266 -0.000 -0.000) 7.266 50.191 ( -16.722 0.000 0.000) 16.722======================= Grid point 108 (70/489) =======================q-point: ( 0.35 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 0.000 1.571 15.958) 16.035 2.431 ( -0.000 13.001 1.323) 13.068 4.562 ( 0.000 -1.520 -0.085) 1.522 5.011 ( -0.000 20.905 -7.913) 22.353 5.805 ( 0.000 1.187 8.373) 8.456 6.231 ( 0.000 -4.567 3.469) 5.735 6.976 ( -0.000 1.046 0.304) 1.090 7.560 ( -0.000 -5.026 -12.711) 13.668 19.250 ( -0.000 0.222 -1.645) 1.660 35.114 ( -0.000 2.266 0.417) 2.304 36.528 ( -0.000 10.452 -0.150) 10.453 52.987 ( 0.000 -51.270 75.967) 91.649======================= Grid point 109 (71/489) =======================q-point: ( 0.41 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( 2.813 -0.262 12.530) 12.844 2.687 ( 15.117 10.976 0.824) 18.700 4.564 ( 2.009 -1.841 -0.147) 2.729 5.084 ( -4.129 10.215 -12.706) 16.817 5.861 ( -1.138 5.168 11.824) 12.954 6.218 ( -0.318 -0.148 1.362) 1.406 7.002 ( 1.656 0.569 -0.113) 1.755 7.459 ( -0.713 -5.248 -9.034) 10.472 19.246 ( -0.106 0.209 -1.148) 1.171 35.172 ( 4.157 2.157 0.359) 4.697 36.604 ( -2.231 8.327 0.374) 8.629 52.729 ( -10.874 -40.398 59.281) 72.557======================= Grid point 110 (72/489) =======================q-point: ( 0.47 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 5.644 -1.788 8.205) 10.118 3.138 ( 25.034 9.194 0.825) 26.682 4.575 ( 1.669 -3.189 -0.484) 3.632 5.009 ( -5.896 5.439 -11.023) 13.633 5.957 ( -1.571 7.804 9.788) 12.616 6.219 ( -0.672 0.894 0.588) 1.264 7.032 ( 1.727 -0.253 -1.004) 2.014 7.355 ( -1.678 -5.243 -5.708) 7.930 19.240 ( -0.243 0.054 -0.689) 0.733 35.300 ( 7.965 2.387 0.340) 8.322 36.612 ( -4.991 5.314 0.555) 7.312 52.350 ( -19.033 -28.398 41.782) 53.985======================= Grid point 111 (73/489) =======================q-point: ( 0.53 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 8.043 -2.513 3.976) 9.318 3.693 ( 29.149 7.689 1.312) 30.175 4.535 ( -1.880 -4.125 -1.188) 4.686 4.940 ( -3.925 5.810 -6.798) 9.766 6.013 ( -3.495 4.742 5.868) 8.315 6.216 ( -0.692 0.522 0.421) 0.964 7.043 ( 0.981 -1.074 -1.721) 2.254 7.260 ( -1.960 -3.636 -2.604) 4.883 19.233 ( -0.294 -0.109 -0.339) 0.462 35.487 ( 10.712 2.742 0.296) 11.061 36.542 ( -7.715 2.030 0.455) 7.990 51.898 ( -24.356 -17.019 25.086) 38.886======================= Grid point 112 (74/489) =======================q-point: ( 0.59 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 9.096 -2.030 0.984) 9.371 4.258 ( 26.385 6.643 2.364) 27.311 4.441 ( -2.621 -3.184 -1.456) 4.373 4.909 ( -3.644 3.643 -3.589) 6.279 5.977 ( -5.511 0.452 2.368) 6.015 6.209 ( -0.500 -0.066 0.221) 0.551 7.034 ( 0.475 -1.155 -1.382) 1.863 7.202 ( -1.360 -1.154 -0.559) 1.870 19.226 ( -0.166 -0.148 -0.117) 0.251 35.711 ( 12.089 2.792 0.182) 12.408 36.398 ( -10.043 -0.704 0.216) 10.070 51.417 ( -26.788 -7.343 10.690) 29.763======================= Grid point 113 (75/489) =======================q-point: (-0.35 -0.65 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.927 ( 7.514 -0.000 -0.000) 7.514 4.331 ( -4.947 0.000 0.000) 4.947 4.761 ( 23.291 -0.000 -0.000) 23.291 4.825 ( -7.257 0.000 0.000) 7.257 5.880 ( -5.746 0.000 0.000) 5.746 6.203 ( -0.173 0.000 0.000) 0.173 7.043 ( 2.127 -0.000 -0.000) 2.127 7.178 ( -0.901 0.000 0.000) 0.901 19.225 ( 0.158 -0.000 -0.000) 0.158 35.939 ( 12.163 -0.000 -0.000) 12.163 36.201 ( -11.808 0.000 0.000) 11.808 50.949 ( -26.255 0.000 0.000) 26.255======================= Grid point 127 (76/489) =======================q-point: ( 0.41 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 0.000 -1.371 9.161) 9.263 2.651 ( -0.000 8.425 0.766) 8.460 4.532 ( 0.000 -1.335 -0.082) 1.337 5.119 ( -0.000 1.984 -12.755) 12.909 5.985 ( 0.000 8.222 11.222) 13.912 6.235 ( -0.000 1.853 0.082) 1.855 6.995 ( -0.000 0.653 0.178) 0.677 7.385 ( -0.000 -4.827 -6.327) 7.958 19.245 ( -0.000 0.275 -0.806) 0.851 35.154 ( -0.000 1.466 0.240) 1.485 36.702 ( -0.000 6.895 0.566) 6.918 52.690 ( 0.000 -31.524 45.264) 55.160======================= Grid point 128 (77/489) =======================q-point: ( 0.47 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 2.366 -1.824 5.676) 6.414 2.860 ( 15.451 5.900 0.456) 16.546 4.529 ( 0.970 -1.397 -0.123) 1.705 5.054 ( -2.071 -0.142 -8.979) 9.216 6.100 ( -1.367 7.967 7.806) 11.237 6.247 ( -0.714 1.704 -0.267) 1.867 7.008 ( 0.755 0.211 -0.149) 0.798 7.310 ( -0.834 -4.188 -3.910) 5.790 19.243 ( -0.206 0.177 -0.470) 0.543 35.207 ( 4.675 1.141 0.177) 4.816 36.735 ( -3.111 4.484 0.516) 5.481 52.507 ( -9.877 -20.666 29.570) 37.404======================= Grid point 129 (78/489) =======================q-point: ( 0.53 0.41 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( 4.850 -1.354 2.358) 5.560 3.268 ( 26.096 3.285 0.336) 26.304 4.523 ( -0.303 -1.437 -0.244) 1.488 4.995 ( -1.777 0.973 -4.219) 4.680 6.142 ( -3.693 3.941 3.674) 6.532 6.242 ( -1.150 0.819 -0.114) 1.416 7.018 ( 0.602 -0.255 -0.467) 0.804 7.248 ( -1.170 -2.255 -1.587) 2.995 19.238 ( -0.377 0.037 -0.194) 0.426 35.334 ( 8.836 0.832 0.115) 8.876 36.687 ( -6.342 1.865 0.287) 6.617 52.212 ( -17.992 -9.675 13.932) 24.727======================= Grid point 130 (79/489) =======================q-point: (-0.41 -0.59 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( 7.341 -0.000 -0.000) 7.341 3.778 ( 30.799 -0.000 -0.000) 30.799 4.487 ( -2.910 0.000 0.000) 2.910 4.966 ( -1.843 0.000 0.000) 1.843 6.086 ( -5.613 0.000 0.000) 5.613 6.226 ( -1.145 0.000 0.000) 1.145 7.022 ( 0.235 -0.000 -0.000) 0.235 7.215 ( -1.171 0.000 0.000) 1.171 19.230 ( -0.383 0.000 0.000) 0.383 35.515 ( 11.684 -0.000 -0.000) 11.684 36.564 ( -9.039 0.000 0.000) 9.039 51.837 ( -23.795 0.000 0.000) 23.795======================= Grid point 146 (80/489) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( 0.000 -1.176 2.774) 3.013 2.768 ( -0.000 2.939 0.247) 2.949 4.512 ( 0.000 -0.545 -0.034) 0.546 5.030 ( -0.000 -1.109 -4.774) 4.901 6.207 ( 0.000 5.230 4.382) 6.823 6.266 ( -0.000 0.990 -0.511) 1.114 7.005 ( -0.000 0.223 0.059) 0.230 7.270 ( -0.000 -2.623 -2.071) 3.343 19.245 ( -0.000 0.122 -0.229) 0.260 35.175 ( -0.000 0.506 0.077) 0.512 36.799 ( -0.000 2.414 0.306) 2.433 52.533 ( 0.000 -10.649 15.072) 18.455======================= Grid point 147 (81/489) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( 2.171 -0.000 -0.000) 2.171 2.920 ( 15.621 -0.000 -0.000) 15.621 4.514 ( 0.421 -0.000 -0.000) 0.421 5.007 ( -0.729 0.000 0.000) 0.729 6.225 ( -2.224 0.000 0.000) 2.224 6.262 ( -0.702 0.000 0.000) 0.702 7.009 ( 0.340 -0.000 -0.000) 0.340 7.247 ( -0.563 0.000 0.000) 0.563 19.243 ( -0.246 0.000 0.000) 0.246 35.219 ( 4.858 -0.000 -0.000) 4.858 36.782 ( -3.418 0.000 0.000) 3.418 52.430 ( -9.581 0.000 0.000) 9.581======================= Grid point 313 (82/489) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.205 ( 0.000 -0.000 15.823) 15.823 0.205 ( 0.000 -0.000 15.823) 15.823 0.868 ( 0.000 -0.000 67.449) 67.449 4.627 ( -0.000 0.000 -0.175) 0.175 4.627 ( -0.000 0.000 -0.175) 0.175 6.805 ( -0.000 0.000 -0.085) 0.085 6.805 ( -0.000 0.000 -0.085) 0.085 9.268 ( -0.000 0.000 -5.548) 5.548 19.494 ( 0.000 -0.000 0.002) 0.002 34.831 ( 0.000 -0.000 0.220) 0.220 34.831 ( 0.000 -0.000 0.220) 0.220 68.222 ( -0.000 0.000 -0.603) 0.603======================= Grid point 314 (83/489) =======================q-point: ( 0.12 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.569 ( 17.859 10.311 9.573) 22.736 0.669 ( 20.977 12.111 12.357) 27.192 1.330 ( 17.206 9.934 52.972) 56.575 4.621 ( -0.286 -0.165 -0.432) 0.544 4.681 ( 4.447 2.567 0.277) 5.142 6.680 ( -8.096 -4.674 14.018) 16.850 6.804 ( 0.283 0.163 -0.468) 0.571 9.155 ( -4.099 -2.367 -8.689) 9.894 19.455 ( -2.116 -1.222 -1.470) 2.852 34.839 ( 0.802 0.463 0.116) 0.933 35.256 ( 25.288 14.600 -26.791) 39.628 59.849 (-370.707 -214.028 480.733) 643.690======================= Grid point 315 (84/489) =======================q-point: ( 0.18 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 18.953 10.942 7.552) 23.151 1.152 ( 15.950 9.208 23.385) 29.767 2.041 ( 28.123 16.237 31.157) 45.004 4.608 ( -0.661 -0.382 -0.808) 1.112 4.822 ( 7.593 4.384 0.463) 8.780 6.579 ( -6.978 -4.029 15.360) 17.345 6.814 ( 0.824 0.476 -0.669) 1.164 9.023 ( -3.396 -1.961 -14.606) 15.123 19.403 ( -1.409 -0.813 -3.677) 4.021 34.868 ( 1.643 0.949 0.066) 1.899 35.621 ( 17.033 9.834 -20.610) 28.489 55.981 (-162.283 -93.694 312.452) 364.336======================= Grid point 316 (85/489) =======================q-point: ( 0.24 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 18.670 10.779 6.633) 22.555 1.623 ( 16.605 9.587 25.717) 32.077 2.823 ( 30.735 17.745 19.466) 40.478 4.583 ( -1.209 -0.698 -1.255) 1.877 5.012 ( 8.501 4.908 0.591) 9.834 6.482 ( -7.097 -4.097 13.796) 16.046 6.835 ( 1.273 0.735 -0.660) 1.611 8.870 ( -4.096 -2.365 -17.650) 18.273 19.361 ( -0.738 -0.426 -4.192) 4.278 34.913 ( 2.301 1.328 0.080) 2.658 35.889 ( 13.281 7.668 -12.118) 19.546 54.244 ( -97.532 -56.310 204.914) 233.822======================= Grid point 317 (86/489) =======================q-point: ( 0.29 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 17.537 10.125 5.791) 21.061 2.123 ( 18.047 10.419 24.034) 31.810 3.578 ( 29.420 16.986 12.609) 36.236 4.542 ( -1.821 -1.051 -1.617) 2.652 5.193 ( 6.850 3.955 0.952) 7.966 6.381 ( -6.185 -3.571 10.899) 13.030 6.865 ( 1.517 0.876 -0.499) 1.821 8.685 ( -5.479 -3.164 -18.370) 19.429 19.334 ( -0.261 -0.150 -3.565) 3.578 34.970 ( 2.665 1.539 0.136) 3.081 36.128 ( 11.313 6.532 -6.302) 14.504 53.111 ( -70.336 -40.608 143.131) 164.568======================= Grid point 318 (87/489) =======================q-point: ( 0.35 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( 15.516 8.958 4.725) 18.529 2.637 ( 18.622 10.752 21.105) 30.130 4.229 ( 23.126 13.352 6.791) 27.553 4.488 ( -2.338 -1.350 -1.719) 3.200 5.326 ( 4.904 2.831 2.126) 6.048 6.312 ( -2.965 -1.712 7.305) 8.068 6.898 ( 1.499 0.865 -0.284) 1.754 8.465 ( -7.151 -4.129 -17.393) 19.253 19.318 ( -0.014 -0.008 -2.515) 2.515 35.032 ( 2.656 1.534 0.192) 3.073 36.346 ( 9.518 5.495 -2.658) 11.308 52.230 ( -54.270 -31.333 102.061) 119.764======================= Grid point 319 (88/489) =======================q-point: ( 0.41 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 12.465 7.196 3.339) 14.775 3.139 ( 18.190 10.502 17.716) 27.478 4.425 ( -2.534 -1.463 -1.429) 3.257 4.587 ( 5.354 3.091 -0.634) 6.214 5.511 ( 11.873 6.855 5.067) 14.616 6.312 ( 0.526 0.303 4.241) 4.284 6.928 ( 1.237 0.714 -0.091) 1.431 8.217 ( -8.463 -4.886 -15.288) 18.144 19.310 ( 0.073 0.042 -1.527) 1.529 35.089 ( 2.248 1.298 0.212) 2.604 36.531 ( 7.286 4.207 -0.611) 8.435 51.513 ( -41.750 -24.104 70.757) 85.619======================= Grid point 320 (89/489) =======================q-point: ( 0.47 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 8.117 4.686 1.599) 9.508 3.605 ( 16.789 9.693 13.959) 23.889 4.367 ( -2.033 -1.173 -0.675) 2.442 4.502 ( -9.245 -5.338 -5.702) 12.103 5.869 ( 15.213 8.783 5.286) 18.345 6.353 ( 1.427 0.824 2.315) 2.841 6.952 ( 0.804 0.464 0.049) 0.929 7.968 ( -7.710 -4.451 -12.337) 15.213 19.307 ( 0.108 0.062 -0.807) 0.817 35.133 ( 1.486 0.858 0.183) 1.726 36.665 ( 4.512 2.605 0.288) 5.218 50.943 ( -30.360 -17.528 44.554) 56.693======================= Grid point 321 (90/489) =======================q-point: ( 0.53 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 2.335 1.348 -0.416) 2.728 3.976 ( 7.379 4.260 3.348) 9.155 4.229 ( -7.441 -4.296 -1.607) 8.742 4.336 ( -0.513 -0.296 0.467) 0.755 6.140 ( 5.332 3.079 2.216) 6.544 6.383 ( 0.304 0.175 1.234) 1.283 6.965 ( 0.286 0.165 0.150) 0.363 7.808 ( -1.290 -0.745 -8.078) 8.214 19.308 ( 0.174 0.100 -0.351) 0.404 35.156 ( 0.489 0.282 0.126) 0.578 36.734 ( 1.403 0.810 0.459) 1.684 50.521 ( -19.373 -11.185 21.729) 31.186======================= Grid point 322 (91/489) =======================q-point: (-0.41 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( -4.015 -2.318 -2.287) 5.169 3.707 ( -17.291 -9.983 -13.784) 24.262 4.351 ( 1.404 0.811 1.562) 2.251 4.427 ( 11.421 6.594 10.447) 16.824 6.086 ( -9.636 -5.563 -1.848) 11.279 6.371 ( -1.699 -0.981 0.226) 1.975 6.966 ( -0.243 -0.140 0.248) 0.374 7.873 ( 8.740 5.046 -3.258) 10.605 19.313 ( 0.327 0.189 -0.033) 0.379 35.156 ( -0.579 -0.335 0.078) 0.674 36.732 ( -1.659 -0.958 0.324) 1.943 50.253 ( -8.735 -5.043 2.035) 10.290======================= Grid point 323 (92/489) =======================q-point: (-0.35 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.834 ( -9.434 -5.447 -3.556) 11.459 3.218 ( -19.838 -11.454 -16.070) 27.982 4.405 ( 2.508 1.448 2.139) 3.600 4.677 ( 5.706 3.295 9.308) 11.404 5.753 ( -16.679 -9.629 -3.790) 19.628 6.310 ( -3.325 -1.920 -1.039) 3.978 6.956 ( -0.726 -0.419 0.376) 0.919 8.123 ( 12.973 7.490 -0.918) 15.008 19.323 ( 0.593 0.342 0.282) 0.740 35.132 ( -1.545 -0.892 0.080) 1.786 36.665 ( -4.252 -2.455 0.261) 4.917 50.142 ( 1.177 0.680 -14.090) 14.155======================= Grid point 324 (93/489) =======================q-point: (-0.29 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( -13.439 -7.759 -4.192) 16.074 2.680 ( -21.156 -12.215 -17.474) 30.035 4.474 ( 2.587 1.494 2.184) 3.701 4.658 ( -13.289 -7.672 6.506) 16.667 5.427 ( -8.119 -4.687 -1.358) 9.472 6.224 ( -3.278 -1.893 -2.485) 4.528 6.937 ( -1.110 -0.641 0.550) 1.394 8.416 ( 12.723 7.346 -0.811) 14.713 19.343 ( 0.936 0.540 0.639) 1.255 35.088 ( -2.263 -1.306 0.145) 2.617 36.549 ( -6.022 -3.477 0.525) 6.973 50.181 ( 9.593 5.539 -25.889) 28.159======================= Grid point 325 (94/489) =======================q-point: (-0.24 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( -21.672 -12.512 -17.738) 30.674 2.199 ( -16.247 -9.380 -4.298) 19.247 4.161 ( -29.222 -16.871 2.214) 33.815 4.536 ( 2.080 1.201 1.867) 3.042 5.341 ( -3.092 -1.785 4.178) 5.496 6.163 ( -0.429 -0.247 -3.627) 3.660 6.912 ( -1.348 -0.778 0.743) 1.725 8.679 ( 10.886 6.285 -2.061) 12.737 19.371 ( 1.265 0.731 0.917) 1.725 35.033 ( -2.644 -1.527 0.256) 3.064 36.405 ( -6.764 -3.905 1.115) 7.889 50.344 ( 15.444 8.917 -31.946) 36.587======================= Grid point 326 (95/489) =======================q-point: (-0.18 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( -21.217 -12.249 -16.046) 29.286 1.791 ( -18.104 -10.452 -3.923) 21.270 3.437 ( -34.556 -19.951 1.596) 39.934 4.582 ( 1.374 0.793 1.349) 2.082 5.247 ( -7.410 -4.278 5.805) 10.339 6.182 ( 3.055 1.764 -2.521) 4.336 6.884 ( -1.412 -0.815 0.892) 1.858 8.887 ( 8.629 4.982 -4.288) 10.847 19.406 ( 1.459 0.842 0.794) 1.862 34.973 ( -2.666 -1.539 0.369) 3.100 36.260 ( -6.452 -3.725 1.480) 7.595 50.593 ( 17.667 10.200 -28.086) 34.713======================= Grid point 327 (96/489) =======================q-point: (-0.12 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -19.445 -11.227 -9.939) 24.555 1.352 ( -19.212 -11.092 -3.062) 22.394 2.632 ( -37.149 -21.448 3.197) 43.014 4.610 ( 0.724 0.418 0.793) 1.152 5.069 ( -9.829 -5.675 5.106) 12.445 6.263 ( 4.003 2.311 1.428) 4.838 6.856 ( -1.305 -0.754 0.907) 1.759 9.033 ( 6.435 3.715 -7.129) 10.297 19.441 ( 1.397 0.807 -0.154) 1.620 34.918 ( -2.356 -1.360 0.434) 2.754 36.129 ( -5.320 -3.071 -0.571) 6.169 50.911 ( 16.451 9.498 1.048) 19.024======================= Grid point 328 (97/489) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( -15.225 -8.790 8.126) 19.367 0.900 ( -19.733 -11.393 -1.516) 22.836 1.797 ( -38.278 -22.100 7.905) 44.901 4.624 ( 0.273 0.158 0.340) 0.464 4.867 ( -9.167 -5.293 3.277) 11.081 6.369 ( 3.472 2.005 8.881) 9.744 6.833 ( -1.058 -0.611 0.726) 1.422 9.120 ( 4.590 2.650 -9.541) 10.914 19.464 ( 1.037 0.599 -2.033) 2.359 34.872 ( -1.776 -1.025 0.423) 2.094 35.993 ( -5.252 -3.032 -13.731) 15.010 51.522 ( 24.859 14.352 122.582) 125.898======================= Grid point 331 (98/489) =======================q-point: ( 0.12 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.526 ( -0.000 17.896 8.106) 19.647 0.740 ( 0.000 22.350 14.922) 26.873 1.582 ( 0.000 16.378 55.935) 58.283 4.627 ( -0.000 0.048 -0.157) 0.164 4.696 ( -0.000 7.439 -0.532) 7.458 6.739 ( 0.000 -4.787 8.790) 10.009 6.819 ( -0.000 1.053 0.226) 1.077 9.077 ( -0.000 -10.359 -9.500) 14.055 19.449 ( 0.000 -3.171 -0.951) 3.311 34.848 ( -0.000 1.264 0.513) 1.364 35.155 ( -0.000 25.191 -17.810) 30.851 61.654 ( 0.000 -407.854 365.871) 547.911======================= Grid point 332 (99/489) =======================q-point: ( 0.18 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 15.636 16.602 6.905) 23.828 1.102 ( 10.607 15.229 19.458) 26.890 2.074 ( 10.437 21.586 43.109) 49.329 4.633 ( 0.028 1.235 -0.961) 1.566 4.791 ( 2.093 8.542 0.669) 8.820 6.701 ( -4.566 -4.166 12.664) 14.092 6.824 ( -0.543 1.848 -0.221) 1.938 8.924 ( 0.339 -9.873 -15.217) 18.142 19.400 ( -1.246 -2.347 -2.441) 3.608 34.868 ( 0.413 2.024 0.405) 2.105 35.420 ( 11.385 18.337 -17.392) 27.719 58.501 (-126.301 -218.043 313.244) 402.015======================= Grid point 333 (100/489) =======================q-point: ( 0.24 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 14.920 15.654 8.861) 23.370 1.548 ( 16.169 11.464 21.032) 28.900 2.700 ( 18.575 22.643 29.092) 41.281 4.634 ( -2.061 3.305 -1.640) 4.226 4.940 ( 5.545 6.841 1.737) 8.976 6.615 ( -6.713 -5.118 14.076) 16.413 6.840 ( 0.016 2.509 -0.390) 2.539 8.765 ( 0.464 -8.550 -20.197) 21.937 19.350 ( -0.826 -1.231 -3.541) 3.839 34.906 ( 1.163 2.781 0.315) 3.031 35.710 ( 12.213 12.624 -12.587) 21.609 56.119 (-102.470 -117.365 231.163) 278.767======================= Grid point 334 (101/489) =======================q-point: ( 0.29 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 14.494 13.684 10.118) 22.354 2.042 ( 17.385 12.639 19.655) 29.126 3.369 ( 22.875 19.995 18.539) 35.592 4.615 ( -3.929 4.914 -1.743) 6.529 5.112 ( 6.838 4.128 2.226) 8.292 6.499 ( -7.039 -5.686 12.452) 15.393 6.868 ( 0.271 2.894 -0.351) 2.928 8.595 ( -0.516 -7.869 -22.034) 23.403 19.318 ( -0.168 -0.533 -3.504) 3.548 34.962 ( 1.555 3.535 0.310) 3.874 35.975 ( 11.555 9.144 -7.487) 16.528 54.519 ( -79.121 -74.943 168.021) 200.269======================= Grid point 335 (102/489) =======================q-point: ( 0.35 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( 13.865 13.073 8.481) 20.858 2.542 ( 16.862 12.799 18.423) 28.064 3.992 ( 22.181 13.675 9.866) 27.863 4.590 ( -4.835 7.352 -1.026) 8.859 5.257 ( 5.931 1.122 2.956) 6.721 6.387 ( -5.112 -4.490 9.078) 11.345 6.901 ( 0.339 2.951 -0.246) 2.980 8.403 ( -2.200 -7.829 -21.272) 22.774 19.303 ( 0.270 -0.247 -2.753) 2.778 35.028 ( 1.482 4.194 0.335) 4.460 36.216 ( 10.551 6.492 -3.636) 12.911 53.314 ( -63.289 -53.442 122.601) 147.961======================= Grid point 336 (103/489) =======================q-point: ( 0.41 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( 11.241 13.597 5.768) 18.561 3.016 ( 16.495 10.552 16.601) 25.672 4.362 ( 7.606 0.268 0.193) 7.613 4.632 ( -0.871 11.764 0.621) 11.812 5.397 ( 9.025 2.188 5.396) 10.740 6.332 ( -1.272 -1.939 5.614) 6.073 6.933 ( 0.227 2.701 -0.119) 2.713 8.185 ( -4.036 -8.160 -18.942) 21.016 19.297 ( 0.453 -0.235 -1.831) 1.901 35.094 ( 0.935 4.637 0.340) 4.743 36.425 ( 9.045 4.007 -1.159) 9.961 52.339 ( -51.051 -39.861 87.860) 109.153======================= Grid point 337 (104/489) =======================q-point: ( 0.47 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.893 ( 6.332 14.235 2.982) 15.862 3.443 ( 16.520 5.652 13.343) 21.975 4.374 ( -1.488 -1.875 -0.619) 2.472 4.635 ( -8.125 3.602 -4.259) 9.855 5.699 ( 16.250 6.873 6.805) 18.911 6.344 ( 1.252 -0.391 3.257) 3.511 6.959 ( -0.021 2.260 -0.001) 2.260 7.951 ( -4.838 -8.148 -15.865) 18.480 19.296 ( 0.502 -0.331 -1.068) 1.226 35.151 ( -0.009 4.769 0.300) 4.779 36.587 ( 6.907 1.533 0.148) 7.077 51.540 ( -40.084 -29.645 59.535) 77.653======================= Grid point 338 (105/489) =======================q-point: ( 0.53 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.089 ( -0.500 13.366 0.276) 13.379 3.773 ( 14.267 -3.923 5.935) 15.942 4.290 ( -5.272 -4.104 0.489) 6.699 4.494 ( -8.911 8.471 -3.077) 12.674 6.038 ( 11.830 3.820 4.356) 13.172 6.375 ( 1.167 -0.499 1.886) 2.273 6.976 ( -0.355 1.815 0.112) 1.853 7.755 ( -1.636 -6.056 -12.125) 13.652 19.298 ( 0.541 -0.404 -0.566) 0.881 35.188 ( -1.194 4.547 0.227) 4.706 36.687 ( 4.227 -0.814 0.600) 4.347 50.904 ( -29.393 -21.098 35.772) 50.879======================= Grid point 339 (106/489) =======================q-point: (-0.41 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.127 ( -7.717 9.295 -2.244) 12.288 3.749 ( -6.309 -13.669 -9.918) 18.027 4.255 ( 4.313 -0.806 5.240) 6.834 4.530 ( -1.157 13.934 4.853) 14.800 6.134 ( -2.297 -4.608 0.190) 5.152 6.379 ( -0.436 -1.634 0.813) 1.877 6.984 ( -0.785 1.547 0.245) 1.752 7.727 ( 7.936 -0.529 -7.422) 10.879 19.303 ( 0.655 -0.378 -0.268) 0.803 35.200 ( -2.412 3.992 0.158) 4.667 36.719 ( 1.292 -2.803 0.559) 3.137 50.436 ( -18.686 -13.592 16.233) 28.239======================= Grid point 340 (107/489) =======================q-point: (-0.35 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.990 ( -12.902 1.512 -4.556) 13.766 3.368 ( -16.782 -8.837 -13.326) 23.180 4.359 ( 5.020 0.178 3.479) 6.110 4.716 ( 2.982 11.157 9.004) 14.644 5.896 ( -13.860 -11.454 -2.868) 18.208 6.333 ( -2.339 -2.799 -0.385) 3.668 6.982 ( -1.333 1.475 0.407) 2.029 7.925 ( 14.949 3.430 -4.367) 15.947 19.312 ( 0.886 -0.226 -0.068) 0.917 35.186 ( -3.454 3.190 0.132) 4.704 36.684 ( -1.507 -4.198 0.372) 4.476 50.144 ( -8.150 -7.013 1.454) 10.849======================= Grid point 341 (108/489) =======================q-point: (-0.29 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( -15.715 -9.795 -8.608) 20.421 2.941 ( -21.744 0.363 -10.841) 24.300 4.450 ( 2.667 1.473 3.119) 4.360 4.847 ( -5.071 4.580 9.719) 11.881 5.505 ( -12.675 -12.150 -3.455) 17.895 6.249 ( -3.365 -3.144 -1.488) 4.839 6.971 ( -1.917 1.459 0.583) 2.479 8.215 ( 15.993 4.143 -4.068) 17.015 19.329 ( 1.214 0.023 0.086) 1.217 35.148 ( -4.157 2.263 0.172) 4.736 36.594 ( -3.792 -4.842 0.266) 6.156 50.034 ( 1.600 -1.564 -7.462) 7.790======================= Grid point 342 (109/489) =======================q-point: (-0.24 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.218 ( -18.269 -14.254 -11.680) 25.949 2.540 ( -24.124 3.846 -6.798) 25.357 4.424 ( -12.890 -9.796 5.127) 16.982 4.654 ( -13.522 3.962 1.938) 14.223 5.338 ( 0.890 -5.779 3.440) 6.784 6.163 ( -2.138 -1.922 -2.278) 3.668 6.951 ( -2.374 1.353 0.748) 2.833 8.495 ( 14.401 3.697 -5.375) 15.810 19.354 ( 1.549 0.286 0.099) 1.578 35.093 ( -4.431 1.349 0.264) 4.639 36.469 ( -5.290 -4.708 0.202) 7.085 50.101 ( 9.671 2.385 -8.529) 13.113======================= Grid point 343 (110/489) =======================q-point: (-0.18 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -19.887 -12.557 -9.696) 25.440 2.128 ( -25.398 2.682 -4.502) 25.933 3.854 ( -32.960 -15.846 3.971) 36.786 4.634 ( -2.284 6.661 0.620) 7.069 5.300 ( -2.227 -7.365 6.601) 10.138 6.143 ( 1.799 0.374 -0.877) 2.036 6.924 ( -2.575 1.071 0.844) 2.914 8.724 ( 11.863 3.176 -7.588) 14.436 19.386 ( 1.752 0.457 -0.296) 1.835 35.029 ( -4.272 0.564 0.362) 4.324 36.330 ( -5.941 -3.916 -0.407) 7.127 50.335 ( 15.474 4.589 2.818) 16.384======================= Grid point 344 (111/489) =======================q-point: (-0.12 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( -19.826 -8.577 -1.725) 21.670 1.694 ( -26.059 1.362 -2.488) 26.213 3.117 ( -37.659 -14.560 5.122) 40.700 4.658 ( -2.200 5.515 0.048) 5.937 5.164 ( -6.875 -8.870 5.561) 12.525 6.216 ( 4.751 1.102 3.874) 6.228 6.892 ( -2.458 0.569 0.776) 2.639 8.895 ( 9.061 3.097 -10.128) 13.939 19.417 ( 1.687 0.458 -1.424) 2.255 34.965 ( -3.739 -0.008 0.412) 3.761 36.188 ( -6.117 -2.745 -3.317) 7.481 50.766 ( 20.803 5.533 38.865) 44.428======================= Grid point 345 (112/489) =======================q-point: (-0.06 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( -16.787 -2.380 14.980) 22.625 1.256 ( -26.041 1.080 0.091) 26.063 2.355 ( -40.364 -10.731 9.113) 42.749 4.665 ( -2.212 3.676 -0.683) 4.344 4.965 ( -8.510 -7.702 3.317) 11.947 6.343 ( 5.596 0.142 10.506) 11.904 6.859 ( -2.023 -0.141 0.443) 2.076 9.011 ( 6.459 3.744 -11.925) 14.069 19.437 ( 1.331 0.292 -3.197) 3.475 34.908 ( -2.928 -0.327 0.368) 2.969 36.024 ( -7.691 -1.649 -12.595) 14.849 51.634 ( 39.686 7.269 133.342) 139.313======================= Grid point 349 (113/489) =======================q-point: ( 0.18 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( -0.000 19.848 5.625) 20.629 1.270 ( 0.000 15.122 23.542) 27.980 2.402 ( 0.000 24.785 39.231) 46.404 4.625 ( -0.000 -0.068 -0.204) 0.215 4.896 ( -0.000 12.831 -0.338) 12.835 6.755 ( 0.000 -3.334 11.416) 11.893 6.848 ( -0.000 1.560 0.387) 1.608 8.728 ( -0.000 -13.167 -17.352) 21.782 19.373 ( -0.000 -2.790 -2.488) 3.738 34.887 ( -0.000 2.184 0.691) 2.291 35.455 ( -0.000 20.274 -14.157) 24.728 58.502 ( 0.000 -222.372 268.266) 348.448======================= Grid point 350 (114/489) =======================q-point: ( 0.24 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 13.935 18.937 5.452) 24.135 1.561 ( 6.307 11.582 25.618) 28.813 2.863 ( 6.700 26.220 30.205) 40.555 4.643 ( 1.922 0.602 -0.898) 2.205 5.015 ( -1.038 12.985 0.849) 13.054 6.723 ( -4.909 -5.215 12.913) 14.767 6.867 ( 0.053 2.478 0.316) 2.498 8.538 ( 2.453 -12.654 -21.681) 25.223 19.332 ( -0.466 -1.895 -3.029) 3.603 34.921 ( 0.816 2.880 0.636) 3.060 35.646 ( 6.105 16.945 -10.931) 21.068 57.099 ( -55.513 -158.037 219.512) 276.121======================= Grid point 351 (115/489) =======================q-point: ( 0.29 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 13.171 16.772 10.697) 23.859 1.947 ( 15.393 11.035 19.804) 27.403 3.380 ( 11.508 24.285 20.803) 33.984 4.683 ( 1.146 2.903 -1.957) 3.684 5.124 ( -0.160 9.808 2.814) 10.205 6.610 ( -7.046 -7.293 12.629) 16.196 6.899 ( 0.040 3.379 0.185) 3.384 8.373 ( 3.255 -11.196 -24.164) 26.830 19.300 ( -0.140 -0.927 -3.133) 3.270 34.978 ( 1.551 3.979 0.569) 4.309 35.878 ( 8.200 12.862 -7.253) 16.890 55.599 ( -64.133 -108.060 172.215) 213.186======================= Grid point 352 (116/489) =======================q-point: ( 0.35 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( 11.528 12.893 15.477) 23.209 2.444 ( 18.753 14.257 12.418) 26.629 3.882 ( 13.720 18.468 11.317) 25.640 4.720 ( -0.989 6.449 -1.982) 6.818 5.223 ( 1.434 4.748 4.783) 6.890 6.469 ( -6.257 -7.227 9.963) 13.808 6.934 ( -0.125 3.797 -0.069) 3.799 8.214 ( 2.178 -10.240 -23.507) 25.733 19.283 ( 0.305 -0.416 -2.662) 2.711 35.054 ( 1.673 5.286 0.554) 5.572 36.106 ( 8.717 8.944 -3.960) 13.102 54.287 ( -60.074 -77.145 131.650) 163.988======================= Grid point 353 (117/489) =======================q-point: ( 0.41 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.557 ( 12.143 11.889 13.451) 21.673 2.932 ( 15.551 14.661 10.319) 23.733 4.251 ( 9.238 8.635 1.314) 12.713 4.769 ( -1.409 8.709 -1.369) 8.928 5.323 ( 4.318 2.646 7.680) 9.200 6.363 ( -3.007 -4.678 6.488) 8.546 6.967 ( -0.343 3.715 -0.225) 3.738 8.040 ( 0.118 -10.080 -20.832) 23.143 19.277 ( 0.569 -0.344 -1.912) 2.024 35.139 ( 1.058 6.579 0.540) 6.686 36.310 ( 8.431 5.106 -1.536) 9.976 53.160 ( -53.124 -57.012 97.872) 125.106======================= Grid point 354 (118/489) =======================q-point: ( 0.47 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.926 ( 10.920 12.939 9.638) 19.483 3.326 ( 10.833 10.957 8.010) 17.365 4.372 ( 0.790 1.729 -2.120) 2.847 4.776 ( -4.948 4.281 -4.394) 7.881 5.545 ( 12.233 6.326 9.505) 16.734 6.333 ( 0.430 -2.109 3.889) 4.445 6.992 ( -0.582 3.274 -0.275) 3.337 7.844 ( -1.768 -10.212 -17.420) 20.270 19.277 ( 0.666 -0.503 -1.196) 1.459 35.219 ( -0.214 7.594 0.487) 7.613 36.475 ( 7.476 1.396 -0.067) 7.606 52.196 ( -45.161 -42.484 69.499) 93.137======================= Grid point 355 (119/489) =======================q-point: ( 0.53 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.248 ( 5.194 16.938 4.967) 18.400 3.557 ( 6.791 -0.299 2.890) 7.387 4.339 ( -3.527 -2.013 0.664) 4.115 4.696 ( -6.417 7.517 -4.764) 10.972 5.875 ( 13.841 4.547 6.781) 16.070 6.351 ( 1.589 -1.440 2.296) 3.142 7.009 ( -0.768 2.766 -0.220) 2.879 7.647 ( -1.334 -9.323 -13.826) 16.729 19.279 ( 0.717 -0.684 -0.683) 1.203 35.280 ( -1.912 8.077 0.390) 8.309 36.588 ( 5.889 -1.912 0.586) 6.220 51.388 ( -36.393 -31.068 45.706) 66.172======================= Grid point 356 (120/489) =======================q-point: ( 0.59 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.409 ( -10.486 17.295 -2.619) 20.394 3.592 ( 6.001 -10.459 -2.327) 12.280 4.257 ( -2.705 -1.724 2.868) 4.303 4.716 ( -2.474 13.186 0.980) 13.452 6.080 ( 4.707 -2.733 2.668) 6.062 6.361 ( 0.637 -2.320 1.014) 2.611 7.020 ( -0.924 2.514 -0.024) 2.679 7.545 ( 5.322 -5.281 -9.716) 12.272 19.282 ( 0.825 -0.749 -0.389) 1.180 35.313 ( -3.694 7.857 0.285) 8.687 36.641 ( 3.791 -4.440 0.681) 5.878 50.746 ( -26.817 -21.623 26.524) 43.477======================= Grid point 357 (121/489) =======================q-point: (-0.35 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.205 ( -14.377 -4.800 -8.794) 17.523 3.533 ( -10.879 6.598 -5.093) 13.705 4.291 ( 4.986 0.861 4.567) 6.816 4.845 ( 0.157 12.535 5.680) 13.763 5.972 ( -9.082 -11.013 -1.173) 14.323 6.331 ( -1.094 -3.426 -0.166) 3.600 7.027 ( -1.278 2.563 0.296) 2.879 7.661 ( 14.636 -0.280 -6.228) 15.909 19.290 ( 1.042 -0.641 -0.248) 1.249 35.311 ( -5.207 6.915 0.216) 8.658 36.637 ( 1.409 -5.876 0.508) 6.064 50.286 ( -16.592 -13.695 12.654) 24.959======================= Grid point 358 (122/489) =======================q-point: (-0.29 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( -16.642 -10.225 -10.052) 21.967 3.316 ( -20.453 9.545 -5.701) 23.279 4.431 ( 4.972 4.036 4.224) 7.671 4.990 ( 0.306 8.533 8.512) 12.057 5.602 ( -16.243 -15.239 -3.400) 22.530 6.260 ( -2.547 -3.847 -0.986) 4.718 7.027 ( -1.903 2.581 0.564) 3.256 7.931 ( 17.958 1.608 -5.433) 18.830 19.304 ( 1.357 -0.385 -0.210) 1.426 35.275 ( -6.175 5.400 0.210) 8.206 36.582 ( -0.959 -6.100 0.278) 6.181 50.027 ( -6.173 -7.240 5.290) 10.887======================= Grid point 359 (123/489) =======================q-point: (-0.24 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( -18.877 -9.735 -8.651) 22.934 2.996 ( -24.721 8.537 -4.802) 26.591 4.528 ( -2.282 3.179 4.654) 6.081 4.980 ( -17.716 0.796 4.852) 18.385 5.246 ( 0.064 -11.125 0.291) 11.129 6.173 ( -2.624 -2.869 -1.350) 4.116 7.016 ( -2.584 2.294 0.705) 3.527 8.227 ( 17.188 2.061 -6.367) 18.445 19.327 ( 1.680 -0.079 -0.333) 1.714 35.211 ( -6.473 3.603 0.255) 7.413 36.492 ( -3.033 -5.240 -0.008) 6.054 49.983 ( 3.782 -2.445 6.274) 7.723======================= Grid point 360 (124/489) =======================q-point: (-0.18 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( -20.367 -6.660 -4.265) 21.849 2.611 ( -27.098 6.641 -3.117) 28.074 4.262 ( -27.319 -9.836 4.989) 29.461 4.780 ( -6.096 7.907 -1.627) 10.116 5.238 ( 2.821 -9.043 6.567) 11.526 6.125 ( -0.101 -0.592 -0.054) 0.603 6.990 ( -3.056 1.575 0.679) 3.505 8.491 ( 14.752 2.491 -8.093) 17.010 19.355 ( 1.866 0.152 -0.813) 2.041 35.131 ( -6.134 1.868 0.307) 6.420 36.381 ( -4.664 -3.631 -0.749) 5.958 50.167 ( 12.977 0.493 18.949) 22.971======================= Grid point 361 (125/489) =======================q-point: (-0.12 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -20.348 -1.632 4.271) 20.855 2.186 ( -28.175 4.517 -0.782) 28.545 3.647 ( -34.805 -8.197 5.046) 36.111 4.773 ( -4.107 6.664 -1.573) 7.984 5.175 ( -2.316 -9.442 5.448) 11.144 6.166 ( 3.768 0.460 4.041) 5.544 6.950 ( -3.154 0.478 0.437) 3.220 8.706 ( 11.748 3.320 -10.084) 15.834 19.383 ( 1.774 0.216 -1.874) 2.590 35.046 ( -5.310 0.503 0.311) 5.343 36.257 ( -6.048 -1.693 -2.959) 6.942 50.619 ( 23.061 1.464 50.089) 55.163======================= Grid point 362 (126/489) =======================q-point: (-0.06 0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( -17.800 4.457 16.641) 24.771 1.747 ( -27.825 2.956 2.358) 28.081 3.000 ( -37.966 -2.062 7.964) 38.847 4.737 ( -3.697 0.635 -1.858) 4.186 5.046 ( -6.404 -4.074 2.918) 8.132 6.281 ( 6.058 -0.620 9.368) 11.173 6.898 ( -2.840 -0.634 -0.024) 2.910 8.870 ( 8.844 4.233 -11.892) 15.413 19.401 ( 1.396 0.119 -3.417) 3.693 34.967 ( -4.198 -0.258 0.228) 4.212 36.109 ( -8.118 0.318 -8.187) 11.534 51.487 ( 41.731 -0.785 111.989) 119.514======================= Grid point 367 (127/489) =======================q-point: ( 0.24 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -0.000 19.522 4.616) 20.060 1.738 ( 0.000 9.741 28.896) 30.494 3.200 ( 0.000 28.274 24.870) 37.656 4.620 ( -0.000 -0.301 -0.316) 0.436 5.172 ( -0.000 14.852 0.167) 14.852 6.772 ( 0.000 -6.291 13.052) 14.489 6.884 ( -0.000 1.744 0.388) 1.786 8.286 ( -0.000 -13.093 -23.746) 27.116 19.305 ( -0.000 -1.682 -2.909) 3.360 34.943 ( -0.000 2.765 0.726) 2.858 35.729 ( -0.000 17.796 -8.591) 19.761 56.881 ( 0.000 -150.752 191.928) 244.055======================= Grid point 368 (128/489) =======================q-point: ( 0.29 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 13.702 18.636 4.590) 23.582 1.982 ( 4.348 7.398 28.653) 29.911 3.601 ( 3.410 27.785 17.709) 33.125 4.642 ( 3.014 0.003 -0.803) 3.119 5.292 ( -2.873 13.788 1.218) 14.137 6.695 ( -5.761 -9.139 12.241) 16.326 6.919 ( 1.237 2.179 0.720) 2.607 8.092 ( 3.389 -11.295 -25.100) 27.733 19.279 ( -0.029 -0.961 -2.782) 2.944 34.988 ( 1.588 3.303 0.684) 3.728 35.895 ( 3.204 15.762 -5.986) 17.162 55.990 ( -31.503 -121.826 160.267) 203.763======================= Grid point 369 (129/489) =======================q-point: ( 0.35 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 12.303 13.903 14.321) 23.447 2.307 ( 15.605 9.920 16.026) 24.470 3.986 ( 4.464 23.790 9.595) 26.038 4.708 ( 4.442 1.198 -1.596) 4.870 5.358 ( -4.472 10.758 3.848) 12.270 6.536 ( -6.447 -10.160 9.799) 15.518 6.965 ( 0.816 2.921 0.255) 3.044 7.953 ( 4.194 -9.774 -23.644) 25.926 19.263 ( 0.226 -0.404 -2.391) 2.435 35.067 ( 2.818 4.483 0.670) 5.337 36.080 ( 4.480 12.244 -3.504) 13.501 54.897 ( -43.690 -93.581 128.682) 165.001======================= Grid point 370 (130/489) =======================q-point: ( 0.41 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 10.185 6.206 20.958) 24.114 2.819 ( 20.476 16.631 4.948) 26.839 4.272 ( 2.780 16.200 0.388) 16.441 4.789 ( 3.680 1.657 -2.565) 4.782 5.405 ( -2.982 8.374 8.202) 12.095 6.390 ( -3.859 -7.655 6.483) 10.749 7.004 ( 0.197 3.252 -0.336) 3.275 7.826 ( 2.691 -9.512 -20.291) 22.571 19.257 ( 0.457 -0.258 -1.790) 1.865 35.173 ( 3.004 6.180 0.682) 6.905 36.249 ( 4.900 7.852 -1.517) 9.379 53.808 ( -46.209 -71.113 99.274) 130.567======================= Grid point 371 (131/489) =======================q-point: ( 0.47 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.849 ( 12.701 3.294 16.937) 21.425 3.313 ( 14.075 18.789 3.231) 23.698 4.394 ( -0.866 8.267 -5.318) 9.868 4.813 ( 0.405 -0.906 -4.617) 4.723 5.531 ( 3.258 9.127 11.145) 14.769 6.319 ( -0.425 -4.156 3.891) 5.709 7.032 ( -0.340 3.064 -0.750) 3.173 7.679 ( 0.428 -9.927 -16.472) 19.236 19.256 ( 0.568 -0.419 -1.168) 1.365 35.290 ( 1.916 8.118 0.660) 8.367 36.383 ( 4.979 2.976 -0.199) 5.804 52.795 ( -44.016 -53.591 72.929) 100.638======================= Grid point 372 (132/489) =======================q-point: ( 0.53 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.155 ( 14.118 -0.799 11.276) 18.086 3.652 ( 1.383 20.309 -0.061) 20.357 4.380 ( -3.209 0.913 -2.774) 4.339 4.787 ( -0.349 3.016 -5.925) 6.658 5.763 ( 8.490 6.475 9.093) 14.025 6.314 ( 1.535 -2.585 2.279) 3.773 7.047 ( -0.631 2.641 -0.957) 2.879 7.511 ( -0.877 -9.823 -12.753) 16.121 19.257 ( 0.630 -0.667 -0.685) 1.145 35.396 ( -0.338 9.821 0.571) 9.843 36.474 ( 4.889 -1.781 0.473) 5.225 51.894 ( -39.047 -39.599 50.177) 74.904======================= Grid point 373 (133/489) =======================q-point: ( 0.59 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.355 ( 9.292 -9.350 1.269) 13.243 3.774 ( -8.765 23.332 -1.353) 24.961 4.307 ( -3.866 -2.004 1.415) 4.579 4.843 ( 1.512 9.826 -2.791) 10.326 5.971 ( 7.097 -0.426 5.064) 8.729 6.321 ( 1.365 -3.031 0.915) 3.448 7.057 ( -0.562 2.450 -0.878) 2.663 7.377 ( 1.878 -7.492 -9.057) 11.903 19.259 ( 0.743 -0.820 -0.398) 1.176 35.469 ( -3.266 10.627 0.441) 11.126 36.520 ( 4.558 -5.537 0.650) 7.201 51.131 ( -32.018 -28.167 31.708) 53.141======================= Grid point 374 (134/489) =======================q-point: (-0.35 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.251 ( -5.737 -11.427 -8.018) 15.093 3.854 ( -10.449 21.164 -0.048) 23.603 4.260 ( 0.837 -0.164 3.221) 3.332 4.973 ( 1.121 10.798 1.782) 11.001 5.978 ( -3.278 -8.907 0.944) 9.538 6.302 ( 0.141 -3.763 -0.196) 3.771 7.071 ( -0.603 2.784 -0.242) 2.859 7.396 ( 10.754 -3.065 -6.004) 12.692 19.264 ( 0.968 -0.780 -0.279) 1.274 35.493 ( -6.060 9.932 0.325) 11.639 36.529 ( 3.723 -7.400 0.543) 8.301 50.535 ( -23.287 -18.774 18.497) 35.170======================= Grid point 375 (135/489) =======================q-point: (-0.29 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.944 ( -13.349 -8.708 -8.396) 18.014 3.754 ( -19.233 13.179 -2.713) 23.472 4.393 ( 7.261 6.249 4.464) 10.569 5.084 ( 0.217 6.252 4.098) 7.479 5.715 ( -13.679 -12.648 -1.132) 18.665 6.251 ( -1.398 -3.905 -0.719) 4.209 7.084 ( -1.263 2.709 0.312) 3.005 7.608 ( 17.592 -0.140 -5.035) 18.298 19.275 ( 1.292 -0.551 -0.284) 1.433 35.461 ( -7.918 7.687 0.266) 11.039 36.509 ( 2.154 -7.052 0.339) 7.381 50.140 ( -13.259 -11.262 11.756) 20.996======================= Grid point 376 (136/489) =======================q-point: (-0.24 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.581 ( -17.256 -5.231 -5.529) 18.860 3.483 ( -23.521 9.082 -2.468) 25.334 4.599 ( 4.261 9.681 3.748) 11.221 5.119 ( 0.728 -6.925 2.548) 7.414 5.312 ( -19.478 -6.461 0.812) 20.538 6.182 ( -2.152 -2.782 -0.718) 3.590 7.081 ( -2.053 2.018 0.466) 2.917 7.908 ( 18.892 1.274 -5.631) 19.755 19.295 ( 1.622 -0.230 -0.433) 1.695 35.381 ( -8.502 4.625 0.261) 9.682 36.468 ( -0.038 -5.056 0.090) 5.057 49.974 ( -2.457 -5.731 12.960) 14.382======================= Grid point 377 (137/489) =======================q-point: (-0.18 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( -19.408 -0.851 -0.314) 19.429 3.124 ( -26.311 5.868 -0.926) 26.973 4.621 ( -18.272 -0.042 3.549) 18.613 4.919 ( -2.898 -1.094 -5.162) 6.020 5.147 ( -2.093 -5.451 8.029) 9.927 6.132 ( -1.265 -0.529 0.514) 1.464 7.056 ( -2.794 0.836 0.337) 2.936 8.209 ( 17.282 2.428 -6.980) 18.796 19.321 ( 1.810 0.040 -0.851) 2.001 35.272 ( -8.001 1.767 0.270) 8.199 36.410 ( -2.462 -2.399 -0.416) 3.463 50.064 ( 8.802 -2.432 24.134) 25.804======================= Grid point 378 (138/489) =======================q-point: (-0.12 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -19.764 4.232 7.260) 21.476 2.704 ( -27.855 2.678 1.410) 28.019 4.162 ( -29.385 -2.845 2.636) 29.640 4.899 ( -5.467 3.884 -3.072) 7.376 5.115 ( 2.377 -6.460 5.960) 9.105 6.142 ( 1.393 0.669 3.461) 3.791 7.006 ( -3.246 -0.518 0.028) 3.288 8.475 ( 14.483 3.471 -8.838) 17.318 19.347 ( 1.716 0.156 -1.693) 2.415 35.153 ( -6.832 -0.174 0.245) 6.838 36.333 ( -4.860 0.147 -1.717) 5.156 50.448 ( 21.287 -1.832 48.338) 52.850======================= Grid point 379 (139/489) =======================q-point: (-0.06 0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -18.069 8.992 15.712) 25.578 2.256 ( -27.805 0.745 4.573) 28.189 3.650 ( -33.183 4.255 5.391) 33.887 4.776 ( -5.064 -5.944 -1.708) 7.993 5.124 ( -2.148 2.448 2.101) 3.876 6.219 ( 4.501 -0.296 7.473) 8.729 6.939 ( -3.224 -1.415 -0.333) 3.537 8.689 ( 11.355 3.807 -11.223) 16.412 19.365 ( 1.317 0.111 -2.921) 3.206 35.044 ( -5.361 -0.886 0.162) 5.436 36.228 ( -7.415 2.287 -4.487) 8.964 51.199 ( 38.181 -5.521 89.317) 97.293======================= Grid point 385 (140/489) =======================q-point: ( 0.29 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( -0.000 18.053 3.891) 18.468 2.138 ( 0.000 4.806 30.514) 30.890 3.922 ( -0.000 28.847 12.142) 31.298 4.607 ( -0.000 -0.660 -0.474) 0.813 5.460 ( -0.000 13.672 0.692) 13.689 6.697 ( 0.000 -12.848 11.594) 17.306 6.921 ( -0.000 1.663 0.287) 1.687 7.856 ( -0.000 -8.403 -24.445) 25.849 19.260 ( -0.000 -0.587 -2.456) 2.525 35.005 ( -0.000 2.948 0.637) 3.016 36.008 ( -0.000 16.157 -4.237) 16.703 55.717 ( 0.000 -114.683 140.297) 181.206======================= Grid point 386 (141/489) =======================q-point: ( 0.35 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 14.042 16.912 3.799) 22.308 2.328 ( 3.253 2.473 28.624) 28.915 4.238 ( -0.134 26.419 5.332) 26.952 4.631 ( 3.678 -0.392 -0.810) 3.787 5.559 ( -3.575 11.656 2.124) 12.376 6.556 ( -4.559 -14.005 8.395) 16.953 6.960 ( 2.089 1.552 0.225) 2.612 7.715 ( 2.577 -6.078 -21.187) 22.192 19.248 ( 0.115 -0.168 -2.043) 2.053 35.059 ( 2.516 3.287 0.591) 4.181 36.156 ( 1.010 14.305 -2.481) 14.554 55.030 ( -20.996 -97.259 117.024) 153.606======================= Grid point 387 (142/489) =======================q-point: ( 0.41 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( 6.895 2.357 24.033) 25.114 2.621 ( 21.311 14.264 3.953) 25.947 4.452 ( -2.280 19.637 -2.213) 19.893 4.704 ( 4.762 0.223 -2.038) 5.185 5.602 ( -4.793 9.720 6.063) 12.418 6.390 ( -3.316 -10.506 5.351) 12.248 7.011 ( 1.793 1.729 -0.509) 2.542 7.620 ( 2.341 -6.109 -16.997) 18.213 19.242 ( 0.247 -0.012 -1.530) 1.550 35.160 ( 4.618 4.317 0.603) 6.350 36.290 ( 0.831 10.838 -1.037) 10.920 54.156 ( -32.228 -77.985 92.942) 125.533======================= Grid point 388 (143/489) =======================q-point: ( 0.47 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.744 ( 9.103 -1.935 19.740) 21.824 3.181 ( 23.128 16.753 2.403) 28.660 4.535 ( -5.049 14.388 -8.034) 17.235 4.738 ( 2.473 -3.648 -3.454) 5.600 5.671 ( -2.002 9.989 9.663) 14.041 6.296 ( -0.666 -5.730 3.182) 6.588 7.047 ( 0.953 1.688 -1.345) 2.359 7.517 ( 0.640 -7.127 -13.043) 14.877 19.241 ( 0.310 -0.147 -1.005) 1.062 35.301 ( 5.422 6.034 0.633) 8.137 36.382 ( 0.339 6.164 -0.074) 6.174 53.233 ( -36.781 -60.294 69.744) 99.259======================= Grid point 389 (144/489) =======================q-point: ( 0.53 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.956 ( 11.238 -4.942 12.642) 17.623 3.717 ( 16.793 19.098 2.603) 25.564 4.483 ( -8.210 6.113 -8.279) 13.164 4.737 ( 3.269 -0.739 -4.504) 5.614 5.799 ( 1.089 8.088 9.062) 12.195 6.270 ( 1.119 -3.283 1.832) 3.922 7.065 ( 0.310 1.306 -2.041) 2.443 7.392 ( -1.056 -7.544 -9.303) 12.024 19.241 ( 0.342 -0.414 -0.581) 0.791 35.459 ( 4.361 8.350 0.614) 9.440 36.420 ( 0.248 0.671 0.406) 0.822 52.341 ( -36.852 -45.026 48.795) 75.936======================= Grid point 390 (145/489) =======================q-point: ( 0.59 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( 9.985 -7.957 4.369) 13.495 4.096 ( 1.076 23.045 1.387) 23.112 4.362 ( -5.229 -0.412 -1.953) 5.597 4.815 ( 6.877 4.354 -5.554) 9.854 5.917 ( 2.329 1.936 6.190) 6.892 6.269 ( 1.417 -3.155 0.661) 3.521 7.069 ( 0.359 0.836 -2.571) 2.727 7.271 ( -0.979 -5.960 -5.512) 8.177 19.240 ( 0.438 -0.624 -0.319) 0.826 35.606 ( 1.052 10.848 0.521) 10.912 36.412 ( 1.246 -4.925 0.521) 5.107 51.531 ( -33.578 -32.174 31.365) 56.093======================= Grid point 391 (146/489) =======================q-point: ( 0.65 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.148 ( 2.592 -8.644 -2.997) 9.508 4.242 ( -7.434 22.415 0.872) 23.632 4.286 ( -4.229 -0.870 1.208) 4.483 4.992 ( 7.780 6.585 -2.121) 10.411 5.937 ( -0.689 -6.127 2.598) 6.691 6.256 ( 0.788 -3.334 -0.213) 3.433 7.085 ( 1.659 1.698 -2.075) 3.153 7.219 ( 3.052 -3.389 -2.856) 5.381 19.242 ( 0.663 -0.646 -0.212) 0.949 35.696 ( -4.226 11.940 0.392) 12.672 36.384 ( 3.515 -8.717 0.435) 9.409 50.852 ( -27.521 -21.588 18.725) 39.674======================= Grid point 392 (147/489) =======================q-point: (-0.29 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.020 ( -6.792 -5.388 -5.025) 10.021 4.154 ( -13.965 5.828 -0.303) 15.135 4.384 ( 2.789 12.282 2.602) 12.861 5.128 ( 1.888 3.132 0.141) 3.660 5.792 ( -7.659 -8.760 0.655) 11.655 6.228 ( -0.339 -3.024 -0.428) 3.072 7.122 ( -0.106 2.467 -0.285) 2.485 7.316 ( 13.005 -1.246 -3.090) 13.425 19.249 ( 1.007 -0.456 -0.221) 1.128 35.689 ( -8.884 9.056 0.292) 12.690 36.375 ( 4.996 -7.852 0.294) 9.311 50.348 ( -19.092 -13.214 12.125) 26.194======================= Grid point 393 (148/489) =======================q-point: (-0.24 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( -13.216 -0.648 -2.489) 13.464 3.921 ( -19.478 4.919 -0.121) 20.090 4.587 ( 7.927 7.582 1.524) 11.074 5.093 ( -4.707 -5.371 -0.983) 7.209 5.554 ( -13.070 -3.255 2.516) 13.702 6.187 ( -1.323 -1.543 -0.194) 2.041 7.126 ( -1.307 1.107 0.095) 1.716 7.578 ( 18.393 1.144 -3.775) 18.811 19.265 ( 1.374 -0.143 -0.340) 1.423 35.586 ( -10.321 3.832 0.245) 11.012 36.395 ( 3.556 -3.783 0.164) 5.195 50.062 ( -8.761 -7.172 12.750) 17.052======================= Grid point 394 (149/489) =======================q-point: (-0.18 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( -16.849 4.149 2.363) 17.513 3.590 ( -23.495 1.860 1.213) 23.600 4.771 ( 7.968 -8.529 -2.755) 11.993 4.901 ( -10.249 5.602 -0.616) 11.696 5.319 ( -14.173 -1.379 5.400) 15.230 6.160 ( -1.455 0.754 0.889) 1.864 7.101 ( -2.134 -0.368 -0.057) 2.166 7.899 ( 18.804 2.641 -5.053) 19.650 19.289 ( 1.607 0.145 -0.637) 1.735 35.433 ( -9.578 -0.149 0.232) 9.582 36.413 ( 0.521 -0.038 -0.049) 0.525 50.030 ( 3.029 -3.738 21.740) 22.266======================= Grid point 395 (150/489) =======================q-point: (-0.12 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( -18.237 8.431 8.400) 21.776 3.179 ( -25.782 -1.499 3.190) 26.022 4.532 ( -14.752 -5.752 -2.964) 16.109 4.986 ( -0.657 4.392 -4.912) 6.622 5.109 ( -7.609 -1.062 9.513) 12.228 6.162 ( -0.664 1.803 2.754) 3.358 7.047 ( -2.849 -1.592 -0.299) 3.277 8.208 ( 16.784 3.345 -7.111) 18.532 19.315 ( 1.560 0.282 -1.216) 1.998 35.271 ( -8.013 -2.048 0.209) 8.274 36.406 ( -2.733 2.503 -0.635) 3.760 50.288 ( 16.275 -3.413 40.208) 43.511======================= Grid point 396 (151/489) =======================q-point: (-0.06 0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -17.700 11.361 13.812) 25.162 2.733 ( -26.176 -2.194 6.153) 26.979 4.209 ( -22.521 5.716 0.772) 23.248 4.799 ( -8.233 -9.053 -0.576) 12.250 5.181 ( 1.072 6.548 2.498) 7.090 6.198 ( 1.374 0.959 5.297) 5.556 6.975 ( -3.135 -2.033 -0.463) 3.765 8.463 ( 13.680 2.889 -10.105) 17.251 19.334 ( 1.191 0.243 -2.091) 2.419 35.129 ( -6.195 -2.117 0.155) 6.549 36.360 ( -5.866 4.059 -1.962) 7.398 50.874 ( 31.823 -7.338 68.781) 76.140======================= Grid point 403 (152/489) =======================q-point: ( 0.35 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( -0.000 15.570 3.209) 15.897 2.436 ( 0.000 -0.553 28.698) 28.703 4.517 ( -0.000 25.796 -0.466) 25.800 4.585 ( -0.000 -1.052 -0.643) 1.233 5.706 ( -0.000 10.008 2.161) 10.239 6.474 ( 0.000 -15.769 5.574) 16.725 6.953 ( -0.000 1.417 0.158) 1.426 7.572 ( -0.000 -2.894 -16.552) 16.803 19.239 ( -0.000 0.131 -1.637) 1.642 35.066 ( -0.000 2.742 0.474) 2.783 36.284 ( -0.000 14.099 -1.333) 14.161 54.743 ( 0.000 -89.856 100.265) 134.637======================= Grid point 404 (153/489) =======================q-point: ( 0.41 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( 14.579 14.089 2.912) 20.482 2.555 ( 2.473 -3.134 25.468) 25.779 4.586 ( 1.482 0.555 -0.991) 1.867 4.722 ( -1.444 18.830 -7.226) 20.220 5.781 ( -2.764 8.145 5.069) 9.983 6.340 ( -1.297 -11.047 3.529) 11.670 6.985 ( 1.918 1.056 -0.304) 2.210 7.492 ( 0.486 -2.792 -12.301) 12.623 19.235 ( 0.065 0.272 -1.189) 1.221 35.124 ( 3.437 2.858 0.422) 4.490 36.404 ( -0.808 11.990 -0.381) 12.023 54.172 ( -15.537 -76.379 80.947) 112.373======================= Grid point 405 (154/489) =======================q-point: ( 0.47 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 5.035 -5.376 20.292) 21.587 2.925 ( 23.712 13.117 2.353) 27.200 4.624 ( 3.268 -1.012 -1.295) 3.658 4.763 ( -6.530 12.573 -11.892) 18.497 5.843 ( -2.489 8.505 8.323) 12.157 6.260 ( -0.351 -5.109 2.207) 5.576 7.024 ( 1.920 0.561 -1.311) 2.391 7.416 ( -0.417 -3.961 -8.912) 9.762 19.235 ( 0.051 0.173 -0.752) 0.773 35.243 ( 6.503 3.548 0.426) 7.420 36.478 ( -2.478 8.511 0.221) 8.867 53.447 ( -25.372 -61.004 60.986) 89.914======================= Grid point 406 (155/489) =======================q-point: ( 0.53 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.793 ( 7.528 -7.016 13.498) 16.973 3.498 ( 26.607 12.937 2.428) 29.685 4.612 ( -2.560 -3.918 -4.866) 6.751 4.723 ( -3.783 11.315 -8.035) 14.384 5.925 ( -1.871 7.501 7.864) 11.028 6.234 ( 0.353 -2.316 1.316) 2.687 7.046 ( 1.204 -0.047 -2.307) 2.603 7.325 ( -1.532 -4.493 -5.769) 7.471 19.233 ( 0.008 -0.075 -0.399) 0.406 35.413 ( 8.337 4.798 0.429) 9.629 36.485 ( -4.249 4.091 0.457) 5.916 52.662 ( -30.394 -46.102 42.078) 69.424======================= Grid point 407 (156/489) =======================q-point: ( 0.59 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 8.679 -7.477 6.582) 13.212 4.072 ( 23.036 13.662 3.250) 26.979 4.477 ( -6.557 -0.464 -4.636) 8.044 4.759 ( -0.099 7.062 -5.538) 8.975 5.972 ( -2.395 2.710 5.416) 6.512 6.228 ( 0.542 -1.825 0.560) 1.984 7.046 ( 0.636 -0.697 -2.893) 3.043 7.237 ( -1.804 -3.167 -2.679) 4.523 19.230 ( 0.040 -0.300 -0.178) 0.351 35.615 ( 8.298 6.711 0.383) 10.679 36.419 ( -5.367 -0.981 0.424) 5.472 51.891 ( -31.398 -32.794 25.814) 52.227======================= Grid point 408 (157/489) =======================q-point: ( 0.65 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.989 ( 6.809 -5.938 1.108) 9.102 4.337 ( -4.213 -0.620 -0.543) 4.293 4.540 ( 4.431 18.856 3.254) 19.641 4.829 ( 9.025 1.145 -5.494) 10.628 5.934 ( -3.540 -3.545 2.601) 5.645 6.219 ( 0.368 -1.705 0.029) 1.745 7.042 ( 1.612 -0.374 -2.433) 2.943 7.187 ( -0.917 -1.102 -0.591) 1.551 19.228 ( 0.227 -0.358 -0.089) 0.433 35.816 ( 5.114 9.765 0.296) 11.027 36.296 ( -4.261 -6.815 0.266) 8.041 51.192 ( -28.854 -21.577 13.683) 38.540======================= Grid point 409 (158/489) =======================q-point: (-0.29 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.019 ( 1.122 -1.988 -1.234) 2.595 4.268 ( -2.773 -0.908 0.364) 2.940 4.623 ( -9.525 11.817 1.013) 15.212 5.044 ( 11.152 1.230 -1.693) 11.346 5.823 ( -4.504 -5.064 0.867) 6.833 6.207 ( -0.013 -1.266 -0.099) 1.270 7.099 ( 5.717 1.862 -1.575) 6.215 7.172 ( 0.600 -1.065 0.099) 1.226 19.232 ( 0.573 -0.198 -0.094) 0.614 35.929 ( -6.926 10.659 0.216) 12.714 36.196 ( 5.212 -9.800 0.115) 11.100 50.623 ( -23.084 -12.720 7.000) 27.270======================= Grid point 410 (159/489) =======================q-point: (-0.24 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( -6.284 3.326 0.105) 7.111 4.191 ( -8.119 -0.200 1.040) 8.188 4.554 ( -2.506 -1.837 -0.744) 3.196 5.127 ( -1.071 0.463 -1.504) 1.904 5.710 ( -6.595 -0.300 1.849) 6.856 6.197 ( -0.499 0.323 0.118) 0.606 7.149 ( -0.864 0.079 -0.178) 0.886 7.299 ( 14.060 1.766 -1.356) 14.236 19.244 ( 0.981 0.105 -0.173) 1.002 35.796 ( -11.625 -0.202 0.139) 11.628 36.280 ( 7.293 -0.138 0.090) 7.295 50.235 ( -14.471 -6.462 6.806) 17.248======================= Grid point 411 (160/489) =======================q-point: (-0.18 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.882 ( -12.271 8.154 3.896) 15.240 3.953 ( -18.507 -2.913 2.307) 18.876 4.525 ( 6.944 -11.579 -3.128) 13.859 5.066 ( -5.124 2.638 -2.851) 6.430 5.583 ( -12.200 3.633 4.374) 13.460 6.201 ( -0.911 2.367 0.889) 2.687 7.121 ( -1.487 -1.457 -0.281) 2.101 7.594 ( 17.889 3.237 -2.706) 18.380 19.265 ( 1.287 0.398 -0.356) 1.393 35.585 ( -10.271 -4.128 0.138) 11.070 36.394 ( 3.597 3.548 0.083) 5.053 50.077 ( -3.514 -3.088 13.776) 14.548======================= Grid point 412 (161/489) =======================q-point: (-0.12 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( -15.730 11.243 8.475) 21.111 3.564 ( -22.045 -6.502 3.542) 23.255 4.498 ( 3.549 -9.954 -3.672) 11.187 5.002 ( -1.995 -1.237 -5.112) 5.625 5.421 ( -15.844 8.974 7.333) 19.630 6.215 ( -1.301 3.066 1.962) 3.865 7.069 ( -2.206 -2.333 -0.438) 3.240 7.918 ( 17.745 3.247 -5.074) 18.739 19.290 ( 1.331 0.534 -0.709) 1.600 35.380 ( -8.471 -4.838 0.156) 9.756 36.466 ( -0.125 4.937 -0.045) 4.939 50.183 ( 9.317 -2.990 28.119) 29.773======================= Grid point 413 (162/489) =======================q-point: (-0.06 0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.641 ( -16.940 11.341 11.467) 23.390 3.145 ( -22.518 -4.177 6.532) 23.815 4.428 ( -2.616 -2.116 -2.768) 4.357 4.873 ( -6.841 -7.343 -3.571) 10.652 5.334 ( -9.510 11.747 6.383) 16.407 6.233 ( -1.021 2.428 3.332) 4.248 7.001 ( -2.667 -2.367 -0.456) 3.595 8.199 ( 15.319 1.970 -8.510) 17.635 19.312 ( 1.048 0.464 -1.270) 1.710 35.210 ( -6.495 -3.758 0.155) 7.506 36.484 ( -3.639 5.375 -0.513) 6.511 50.581 ( 23.754 -6.820 49.327) 55.171======================= Grid point 421 (163/489) =======================q-point: ( 0.41 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.456 ( -0.000 12.072 2.572) 12.343 2.596 ( 0.000 -5.972 23.655) 24.397 4.556 ( -0.000 -1.260 -0.781) 1.482 4.879 ( -0.000 15.717 -12.206) 19.900 5.899 ( 0.000 6.691 6.565) 9.374 6.271 ( 0.000 -6.587 2.319) 6.984 6.979 ( -0.000 1.081 0.039) 1.082 7.423 ( -0.000 -2.230 -8.772) 9.051 19.234 ( -0.000 0.431 -0.813) 0.920 35.119 ( -0.000 2.202 0.291) 2.222 36.528 ( -0.000 11.041 0.149) 11.042 53.902 ( 0.000 -68.052 65.409) 94.389======================= Grid point 422 (164/489) =======================q-point: ( 0.47 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.636 ( 2.089 -7.450 18.544) 20.094 2.708 ( 14.891 9.707 3.081) 18.041 4.557 ( 1.873 -1.550 -0.923) 2.600 4.913 ( -3.572 9.668 -13.681) 17.129 5.987 ( -1.219 7.394 8.088) 11.027 6.238 ( -0.249 -1.769 1.454) 2.304 6.998 ( 1.105 0.656 -0.426) 1.354 7.362 ( -0.584 -2.945 -6.321) 6.998 19.235 ( -0.069 0.384 -0.456) 0.600 35.176 ( 4.203 2.090 0.234) 4.700 36.609 ( -2.218 8.600 0.422) 8.892 53.425 ( -12.394 -55.911 48.223) 74.867======================= Grid point 423 (165/489) =======================q-point: ( 0.53 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( 4.148 -8.355 13.503) 16.412 3.157 ( 25.150 8.359 2.108) 26.587 4.562 ( 1.006 -2.728 -1.689) 3.362 4.872 ( -4.410 8.414 -10.069) 13.843 6.062 ( -2.283 6.480 6.690) 9.590 6.230 ( -0.512 -0.008 0.988) 1.113 7.017 ( 0.994 0.046 -1.189) 1.551 7.293 ( -1.244 -3.135 -4.100) 5.309 19.235 ( -0.203 0.185 -0.171) 0.324 35.303 ( 8.027 2.299 0.203) 8.353 36.619 ( -4.996 5.325 0.438) 7.315 52.822 ( -21.069 -42.526 31.168) 56.778======================= Grid point 424 (166/489) =======================q-point: ( 0.59 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( 6.394 -7.282 7.981) 12.555 3.712 ( 29.625 6.825 1.599) 30.443 4.510 ( -2.617 -2.636 -2.599) 4.533 4.865 ( -2.773 8.691 -4.701) 10.263 6.075 ( -4.151 2.291 3.876) 6.124 6.224 ( -0.693 0.052 0.678) 0.971 7.022 ( 0.396 -0.259 -1.488) 1.561 7.231 ( -1.356 -1.943 -1.964) 3.078 19.231 ( -0.279 -0.020 0.006) 0.279 35.490 ( 10.762 2.616 0.145) 11.076 36.547 ( -7.733 1.873 0.281) 7.961 52.163 ( -26.002 -29.674 15.961) 42.561======================= Grid point 425 (167/489) =======================q-point: ( 0.65 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( 7.764 -4.519 3.657) 9.699 4.280 ( 28.578 4.906 0.939) 29.011 4.417 ( -3.992 -1.604 -2.229) 4.845 4.881 ( -3.903 6.937 -0.812) 8.001 5.999 ( -5.821 -2.001 1.119) 6.256 6.213 ( -0.626 -0.317 0.322) 0.772 7.020 ( 0.268 0.344 -0.849) 0.955 7.195 ( -1.029 -0.378 -0.530) 1.218 19.226 ( -0.183 -0.080 0.078) 0.214 35.713 ( 12.122 2.617 0.039) 12.401 36.399 ( -10.050 -0.920 0.083) 10.092 51.513 ( -27.239 -18.465 4.207) 33.175======================= Grid point 426 (168/489) =======================q-point: (-0.29 -0.59 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.936 ( 6.995 -0.358 1.285) 7.122 4.324 ( -4.578 -0.045 -1.104) 4.710 4.723 ( 15.863 -6.294 -3.823) 17.489 4.871 ( -0.368 8.316 4.978) 9.699 5.876 ( -5.509 -1.876 -0.676) 5.859 6.203 ( -0.218 -0.182 0.001) 0.284 7.045 ( 2.025 1.904 0.387) 2.806 7.178 ( -0.887 0.114 -0.057) 0.897 19.225 ( 0.114 0.073 0.074) 0.154 35.939 ( 12.190 -0.244 -0.086) 12.193 36.201 ( -11.770 -0.164 -0.033) 11.772 50.932 ( -24.820 -9.577 -2.708) 26.741======================= Grid point 427 (169/489) =======================q-point: (-0.24 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.052 ( 3.103 4.844 1.236) 5.884 4.255 ( -2.855 -0.299 -0.652) 2.944 4.594 ( -7.977 -13.134 -1.046) 15.403 5.086 ( 7.076 1.548 1.395) 7.376 5.804 ( -2.818 2.838 -0.563) 4.039 6.208 ( 0.291 1.320 -0.043) 1.353 7.139 ( 4.628 0.361 1.317) 4.825 7.169 ( 1.071 2.866 -0.257) 3.070 19.233 ( 0.531 0.379 0.021) 0.653 35.925 ( -6.794 -11.026 -0.115) 12.952 36.194 ( 5.209 9.418 -0.070) 10.763 50.478 ( -18.904 -3.449 -3.764) 19.582======================= Grid point 428 (170/489) =======================q-point: (-0.18 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.135 ( -3.640 10.191 3.597) 11.403 4.170 ( -10.591 -5.154 1.108) 11.830 4.316 ( -0.281 -14.760 -2.587) 14.988 5.107 ( -1.840 -3.846 -1.374) 4.480 5.805 ( -4.627 7.522 1.539) 8.964 6.237 ( 0.313 3.027 0.356) 3.064 7.123 ( -1.074 -2.181 -0.100) 2.433 7.364 ( 12.264 5.282 0.129) 13.353 19.251 ( 0.901 0.682 -0.089) 1.134 35.685 ( -8.746 -9.301 -0.031) 12.767 36.371 ( 5.118 7.478 -0.038) 9.062 50.207 ( -9.890 -0.384 1.541) 10.017======================= Grid point 429 (171/489) =======================q-point: (-0.12 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.151 ( -10.965 13.075 7.514) 18.645 3.808 ( -15.910 -13.566 1.062) 20.935 4.299 ( 6.596 -6.282 -2.290) 9.392 4.983 ( -3.604 -7.933 -3.762) 9.490 5.783 ( -10.256 11.215 3.931) 15.698 6.272 ( -0.485 3.416 1.016) 3.597 7.075 ( -1.663 -2.656 -0.326) 3.151 7.648 ( 15.380 4.271 -2.412) 16.143 19.274 ( 1.049 0.818 -0.295) 1.363 35.458 ( -7.808 -7.839 0.060) 11.064 36.505 ( 2.306 6.740 0.058) 7.124 50.160 ( 1.593 -0.622 13.060) 13.172======================= Grid point 430 (172/489) =======================q-point: (-0.06 0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.062 ( -16.195 7.433 8.760) 19.857 3.458 ( -15.209 -3.423 4.907) 16.344 4.347 ( 5.341 -3.630 -1.790) 6.702 4.824 ( -1.820 -10.285 -5.173) 11.656 5.714 ( -13.945 13.089 5.444) 19.885 6.294 ( -1.256 2.927 1.820) 3.668 7.016 ( -2.060 -2.452 -0.340) 3.220 7.923 ( 14.952 1.944 -6.240) 16.318 19.297 ( 0.882 0.708 -0.633) 1.296 35.273 ( -6.126 -5.502 0.121) 8.234 36.579 ( -1.003 5.952 0.072) 6.036 50.366 ( 14.780 -4.421 29.877) 33.625======================= Grid point 439 (173/489) =======================q-point: ( 0.47 0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.615 ( 0.000 -9.212 16.848) 19.202 2.670 ( -0.000 7.532 2.024) 7.799 4.526 ( -0.000 -1.001 -0.857) 1.318 4.956 ( -0.000 5.426 -12.277) 13.422 6.103 ( 0.000 7.349 7.283) 10.347 6.242 ( 0.000 0.716 0.950) 1.190 6.996 ( -0.000 0.686 -0.068) 0.689 7.315 ( -0.000 -2.963 -4.716) 5.570 19.239 ( -0.000 0.404 -0.168) 0.438 35.156 ( -0.000 1.409 0.122) 1.414 36.709 ( -0.000 6.936 0.426) 6.949 53.197 ( 0.000 -46.568 33.162) 57.169======================= Grid point 440 (174/489) =======================q-point: ( 0.53 0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( 1.594 -8.825 12.653) 15.509 2.875 ( 15.465 4.904 2.010) 16.348 4.522 ( 0.785 -0.981 -1.033) 1.626 4.944 ( -1.499 4.883 -7.953) 9.452 6.180 ( -1.701 5.206 4.757) 7.254 6.251 ( -0.600 1.058 0.918) 1.524 7.005 ( 0.410 0.369 -0.319) 0.637 7.266 ( -0.583 -2.287 -3.082) 3.882 19.240 ( -0.199 0.266 0.069) 0.339 35.209 ( 4.698 1.078 0.056) 4.821 36.740 ( -3.111 4.340 0.255) 5.346 52.812 ( -10.480 -35.011 17.541) 40.538======================= Grid point 441 (175/489) =======================q-point: ( 0.59 0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( 3.898 -7.035 8.361) 11.601 3.279 ( 25.999 2.366 1.434) 26.146 4.512 ( -0.607 -0.616 -1.433) 1.674 4.950 ( -1.118 5.669 -2.725) 6.388 6.174 ( -3.949 0.468 1.441) 4.230 6.248 ( -1.159 0.471 1.000) 1.602 7.013 ( 0.348 0.312 -0.404) 0.617 7.230 ( -0.897 -0.423 -1.274) 1.615 19.238 ( -0.388 0.103 0.226) 0.461 35.334 ( 8.853 0.743 -0.023) 8.884 36.689 ( -6.336 1.623 0.001) 6.541 52.322 ( -18.306 -23.118 3.094) 29.650======================= Grid point 442 (176/489) =======================q-point: (-0.35 -0.53 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( 6.672 -4.186 4.582) 9.112 3.779 ( 30.375 -1.040 0.258) 30.394 4.478 ( -2.906 1.340 -1.362) 3.478 4.979 ( -1.551 3.875 1.818) 4.553 6.076 ( -5.456 -3.278 -1.483) 6.535 6.230 ( -1.343 -0.397 0.650) 1.544 7.024 ( 0.318 1.133 0.317) 1.218 7.215 ( -1.232 1.343 0.065) 1.824 19.232 ( -0.426 0.066 0.301) 0.526 35.514 ( 11.682 -0.128 -0.148) 11.683 36.563 ( -9.008 -0.250 -0.219) 9.014 51.781 ( -22.991 -12.368 -8.522) 27.462======================= Grid point 443 (177/489) =======================q-point: (-0.29 -0.53 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 9.103 -0.861 1.722) 9.304 4.223 ( 23.207 -7.774 -2.921) 24.649 4.454 ( -0.794 4.735 0.460) 4.823 4.968 ( -3.106 -0.932 5.241) 6.163 5.939 ( -4.857 -3.071 -3.494) 6.726 6.208 ( -0.647 -0.419 0.004) 0.771 7.055 ( 0.773 2.644 1.792) 3.286 7.209 ( -1.792 2.287 0.692) 2.987 19.229 ( -0.239 0.234 0.310) 0.456 35.708 ( 12.082 -2.958 -0.299) 12.442 36.394 ( -9.971 0.510 -0.316) 9.989 51.245 ( -24.153 -3.820 -15.851) 29.141======================= Grid point 444 (178/489) =======================q-point: (-0.24 -0.53 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.975 ( 10.173 2.681 0.019) 10.520 4.297 ( -0.084 -2.935 -3.544) 4.602 4.506 ( 0.169 -11.254 0.784) 11.282 4.980 ( 5.549 -1.437 5.706) 8.088 5.846 ( -1.451 -0.480 -4.076) 4.353 6.210 ( 0.755 1.195 -0.526) 1.508 7.111 ( 1.465 1.488 2.344) 3.139 7.214 ( -1.636 5.395 1.780) 5.912 19.233 ( 0.125 0.560 0.271) 0.634 35.807 ( 5.160 -10.061 -0.375) 11.313 36.288 ( -4.150 6.456 -0.296) 7.680 50.770 ( -21.571 1.855 -17.803) 28.030======================= Grid point 445 (179/489) =======================q-point: (-0.18 -0.53 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.186 ( 8.895 6.710 -0.211) 11.144 4.216 ( -4.936 -14.979 -2.029) 15.901 4.265 ( -7.817 -5.435 0.849) 9.559 5.056 ( 2.025 -5.943 2.548) 6.776 5.864 ( 3.644 2.982 -2.849) 5.503 6.249 ( 1.537 2.690 -0.545) 3.145 7.116 ( -0.642 -2.180 0.543) 2.337 7.315 ( 2.973 9.631 3.625) 10.712 19.247 ( 0.512 0.889 0.187) 1.043 35.688 ( -4.016 -12.112 -0.244) 12.763 36.374 ( 3.614 8.346 -0.269) 9.099 50.415 ( -15.342 4.322 -13.858) 21.121======================= Grid point 446 (180/489) =======================q-point: (-0.12 0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.391 ( 3.310 11.893 2.158) 12.532 3.834 ( -10.976 -21.849 -0.660) 24.460 4.208 ( -0.708 -0.476 -0.712) 1.111 4.949 ( -4.386 -10.366 -0.213) 11.258 5.961 ( 1.766 6.284 -0.250) 6.532 6.300 ( 1.138 2.821 -0.118) 3.044 7.074 ( -1.418 -2.714 0.015) 3.062 7.507 ( 7.135 8.442 1.697) 11.183 19.268 ( 0.740 1.042 0.041) 1.279 35.487 ( -5.866 -10.030 -0.075) 11.620 36.519 ( 3.946 7.045 -0.129) 8.076 50.230 ( -5.986 3.507 -4.234) 8.128======================= Grid point 447 (181/489) =======================q-point: (-0.06 0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.380 ( -15.520 -6.962 4.592) 17.619 3.610 ( 0.451 5.747 0.813) 5.822 4.219 ( 3.939 -2.042 -0.519) 4.467 4.743 ( -4.938 -12.696 -2.562) 13.862 6.016 ( -4.808 8.691 2.205) 10.174 6.337 ( 0.096 2.324 0.582) 2.398 7.021 ( -1.587 -2.448 -0.128) 2.920 7.716 ( 9.500 4.787 -2.536) 10.936 19.290 ( 0.686 0.916 -0.185) 1.159 35.308 ( -5.079 -6.984 0.046) 8.635 36.631 ( 1.673 5.583 0.090) 5.829 50.253 ( 5.593 -0.515 10.029) 11.494======================= Grid point 457 (182/489) =======================q-point: ( 0.53 0.53 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 0.000 -8.358 11.014) 13.826 2.780 ( 0.000 2.055 1.550) 2.574 4.506 ( -0.000 -0.153 -0.858) 0.871 4.973 ( -0.000 4.644 -4.032) 6.150 6.244 ( 0.000 1.163 1.341) 1.775 6.271 ( 0.000 0.848 1.481) 1.707 7.004 ( -0.000 0.249 -0.173) 0.304 7.246 ( -0.000 -0.330 -1.538) 1.573 19.245 ( 0.000 0.188 0.292) 0.347 35.175 ( -0.000 0.453 -0.028) 0.454 36.801 ( -0.000 2.173 -0.038) 2.173 52.648 ( 0.000 -24.960 2.828) 25.120======================= Grid point 458 (183/489) =======================q-point: (-0.41 -0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 1.667 -6.698 7.705) 10.345 2.930 ( 15.619 -0.947 1.475) 15.717 4.508 ( 0.348 0.509 -0.930) 1.116 5.011 ( -0.570 5.593 0.372) 5.634 6.209 ( -2.071 -4.297 -1.993) 5.169 6.274 ( -0.877 -0.272 1.423) 1.693 7.008 ( 0.400 0.178 -0.145) 0.461 7.250 ( -0.620 2.425 0.488) 2.550 19.246 ( -0.266 0.070 0.474) 0.548 35.218 ( 4.850 -0.064 -0.110) 4.852 36.780 ( -3.406 -0.256 -0.335) 3.432 52.357 ( -9.323 -14.036 -11.282) 20.278======================= Grid point 459 (184/489) =======================q-point: (-0.35 -0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( 4.557 -4.682 3.967) 7.643 3.271 ( 25.716 -4.165 0.885) 26.066 4.518 ( -0.227 2.242 -0.964) 2.450 5.053 ( -1.852 3.846 4.388) 6.121 6.084 ( -3.220 -7.892 -5.171) 9.969 6.250 ( -1.454 -1.373 1.056) 2.261 7.025 ( 1.035 0.761 0.475) 1.370 7.272 ( -1.592 4.471 2.245) 5.250 19.243 ( -0.437 0.062 0.599) 0.744 35.331 ( 8.804 -0.922 -0.237) 8.855 36.682 ( -6.307 -2.057 -0.529) 6.655 51.972 ( -16.636 -3.851 -23.119) 28.741======================= Grid point 460 (185/489) =======================q-point: (-0.29 -0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( 8.263 -2.758 0.464) 8.724 3.681 ( 28.003 -8.462 -0.606) 29.260 4.540 ( -1.116 5.466 -0.288) 5.587 5.032 ( -4.631 -2.915 7.090) 8.956 5.927 ( -2.400 -7.710 -7.471) 11.002 6.215 ( -1.075 -1.381 0.160) 1.757 7.064 ( 1.653 1.496 1.502) 2.688 7.300 ( -2.691 6.269 3.836) 7.827 19.239 ( -0.401 0.249 0.658) 0.810 35.482 ( 10.665 -2.862 -0.406) 11.050 36.535 ( -7.653 -2.113 -0.557) 7.959 51.533 ( -21.155 4.235 -31.148) 37.891======================= Grid point 461 (186/489) =======================q-point: (-0.24 -0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 11.969 -1.109 -2.485) 12.275 3.984 ( 19.616 -13.583 -3.164) 24.069 4.572 ( -4.684 5.762 2.478) 7.828 4.927 ( -1.563 -7.838 6.765) 10.471 5.799 ( -0.231 -6.760 -7.831) 10.348 6.202 ( 0.641 0.403 -1.010) 1.262 7.108 ( 1.160 0.210 1.514) 1.919 7.349 ( -2.888 9.929 6.047) 11.979 19.241 ( -0.157 0.598 0.647) 0.895 35.603 ( 8.257 -6.957 -0.531) 10.810 36.407 ( -5.287 0.901 -0.453) 5.382 51.087 ( -22.189 9.284 -34.132) 41.756======================= Grid point 462 (187/489) =======================q-point: (-0.18 -0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.993 ( 14.868 0.171 -4.750) 15.609 4.031 ( 5.892 -18.301 -3.370) 19.519 4.436 ( -12.678 -0.431 3.557) 13.175 4.959 ( 5.164 -4.247 5.232) 8.489 5.741 ( 5.575 -5.552 -7.140) 10.625 6.234 ( 2.175 1.779 -1.597) 3.232 7.109 ( -0.457 -1.968 0.774) 2.163 7.454 ( -1.970 13.435 7.469) 15.497 19.252 ( 0.177 0.963 0.564) 1.130 35.593 ( 1.242 -10.958 -0.446) 11.037 36.400 ( 1.205 4.823 -0.376) 4.985 50.689 ( -19.339 10.898 -31.376) 38.435======================= Grid point 463 (188/489) =======================q-point: (-0.12 -0.47 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.241 ( 16.424 0.193 -6.522) 17.673 3.811 ( -6.521 -20.175 0.532) 21.209 4.282 ( -7.131 2.447 0.275) 7.544 4.935 ( -3.615 -8.257 3.859) 9.805 5.839 ( 12.309 -2.115 -4.833) 13.392 6.287 ( 2.538 1.765 -1.354) 3.375 7.071 ( -1.303 -2.799 0.350) 3.107 7.592 ( -1.315 13.616 6.238) 15.034 19.270 ( 0.426 1.156 0.408) 1.298 35.460 ( -3.016 -10.665 -0.223) 11.085 36.507 ( 4.589 5.386 -0.295) 7.082 50.394 ( -12.760 9.190 -22.993) 27.856======================= Grid point 475 (189/489) =======================q-point: (-0.41 -0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 0.000 -6.328 5.965) 8.696 2.774 ( 0.000 -3.842 1.080) 3.991 4.507 ( -0.000 0.955 -0.790) 1.239 5.088 ( 0.000 7.032 3.871) 8.027 6.141 ( -0.000 -9.662 -5.591) 11.163 6.279 ( 0.000 -1.500 1.482) 2.109 7.003 ( -0.000 -0.201 -0.282) 0.347 7.301 ( 0.000 5.174 2.984) 5.973 19.251 ( 0.000 -0.016 0.731) 0.731 35.173 ( 0.000 -0.565 -0.172) 0.591 36.793 ( 0.000 -2.595 -0.601) 2.663 52.269 ( -0.000 -3.774 -25.561) 25.838======================= Grid point 476 (190/489) =======================q-point: (-0.35 -0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 2.067 -5.756 2.346) 6.550 2.864 ( 15.488 -6.822 1.083) 16.958 4.525 ( 1.003 1.857 -0.779) 2.250 5.162 ( -2.300 5.627 7.237) 9.451 5.987 ( -0.999 -12.288 -9.336) 15.465 6.257 ( -0.912 -2.509 1.205) 2.929 7.009 ( 1.157 -0.102 -0.064) 1.163 7.369 ( -1.136 6.744 5.464) 8.754 19.252 ( -0.255 -0.014 0.964) 0.997 35.204 ( 4.642 -1.213 -0.273) 4.805 36.727 ( -3.094 -4.514 -0.691) 5.516 52.069 ( -8.762 6.080 -38.104) 39.569======================= Grid point 477 (191/489) =======================q-point: (-0.29 -0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( 5.800 -5.265 -1.691) 8.013 3.137 ( 24.532 -9.990 0.576) 26.494 4.574 ( 2.011 3.776 -0.627) 4.324 5.144 ( -6.881 -2.525 9.510) 12.007 5.813 ( -0.313 -10.271 -12.302) 16.029 6.216 ( -1.081 -2.280 0.208) 2.532 7.042 ( 2.362 0.306 0.507) 2.435 7.442 ( -2.177 8.312 8.009) 11.746 19.252 ( -0.363 0.171 1.131) 1.200 35.295 ( 7.899 -2.477 -0.430) 8.289 36.605 ( -4.973 -5.162 -0.572) 7.190 51.772 ( -15.989 13.921 -47.294) 51.828======================= Grid point 478 (192/489) =======================q-point: (-0.24 -0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( 10.407 -4.874 -5.191) 12.609 3.453 ( 24.786 -13.825 -0.905) 28.396 4.667 ( 2.901 6.566 0.437) 7.192 4.961 ( -9.705 -11.683 8.479) 17.395 5.670 ( 0.276 -9.121 -11.885) 14.985 6.191 ( 0.103 -0.146 -1.377) 1.389 7.085 ( 1.988 -0.408 0.636) 2.127 7.537 ( -2.341 11.363 10.465) 15.624 19.255 ( -0.276 0.524 1.195) 1.333 35.400 ( 8.211 -4.986 -0.582) 9.624 36.474 ( -4.287 -3.644 -0.314) 5.635 51.406 ( -20.572 18.466 -51.659) 58.590======================= Grid point 479 (193/489) =======================q-point: (-0.18 -0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.685 ( 14.848 -4.656 -7.911) 17.456 3.645 ( 16.088 -18.307 -2.765) 24.528 4.663 ( -12.522 -4.247 5.548) 14.340 4.845 ( 7.219 -0.915 3.592) 8.115 5.543 ( 2.781 -10.853 -10.473) 15.337 6.205 ( 1.642 1.309 -2.519) 3.279 7.095 ( 0.253 -2.080 0.510) 2.157 7.674 ( -2.350 14.599 11.306) 18.614 19.264 ( -0.062 0.915 1.129) 1.455 35.443 ( 4.437 -8.423 -0.573) 9.537 36.413 ( -0.016 -0.182 -0.120) 0.218 51.011 ( -21.476 19.132 -50.149) 57.812======================= Grid point 480 (194/489) =======================q-point: (-0.12 -0.41 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 17.822 -5.286 -9.708) 20.972 3.608 ( 5.019 -21.398 -3.108) 22.198 4.455 ( -9.233 -1.539 3.172) 9.883 4.934 ( -0.273 -2.973 5.422) 6.190 5.526 ( 13.042 -8.368 -8.853) 17.846 6.245 ( 2.746 1.114 -2.568) 3.921 7.063 ( -0.942 -3.092 0.452) 3.264 7.822 ( -3.625 15.582 9.726) 18.723 19.279 ( 0.134 1.162 0.932) 1.496 35.383 ( -0.089 -9.789 -0.348) 9.796 36.466 ( 4.492 2.145 -0.101) 4.979 50.643 ( -18.215 16.211 -42.562) 49.052======================= Grid point 493 (195/489) =======================q-point: (-0.35 -0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 0.000 -6.983 0.078) 6.983 2.650 ( 0.000 -9.358 0.579) 9.376 4.528 ( -0.000 1.713 -0.693) 1.848 5.271 ( 0.000 2.230 10.351) 10.589 5.819 ( -0.000 -11.511 -14.233) 18.306 6.241 ( 0.000 -3.235 0.890) 3.355 6.992 ( -0.000 -0.638 -0.397) 0.751 7.481 ( 0.000 7.620 8.855) 11.682 19.259 ( 0.000 -0.031 1.350) 1.351 35.150 ( 0.000 -1.537 -0.326) 1.571 36.695 ( 0.000 -6.679 -0.596) 6.705 52.060 ( -0.000 15.988 -51.932) 54.338======================= Grid point 494 (196/489) =======================q-point: (-0.29 -0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( 2.548 -7.818 -3.809) 9.062 2.686 ( 15.291 -11.903 0.711) 19.391 4.561 ( 2.068 2.222 -0.663) 3.107 5.231 ( -4.354 -13.226 9.913) 17.092 5.682 ( -0.709 -1.672 -15.895) 15.998 6.207 ( -0.550 -2.317 -0.309) 2.402 7.001 ( 2.045 -0.580 -0.257) 2.141 7.596 ( -0.949 8.554 12.267) 14.985 19.264 ( -0.193 0.112 1.685) 1.700 35.167 ( 4.111 -2.236 -0.436) 4.700 36.600 ( -2.252 -7.833 -0.227) 8.154 51.936 ( -8.833 24.108 -62.956) 67.991======================= Grid point 495 (197/489) =======================q-point: (-0.24 -0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( 7.175 -8.224 -7.588) 13.292 2.898 ( 23.105 -14.557 0.262) 27.309 4.636 ( 4.285 2.092 -0.558) 4.801 4.996 ( -5.571 -20.454 5.571) 21.919 5.576 ( -3.915 -1.894 -12.581) 13.311 6.186 ( -0.200 0.714 -2.358) 2.472 7.039 ( 2.790 -0.840 -0.147) 2.917 7.731 ( -1.030 10.893 14.982) 18.552 19.270 ( -0.247 0.427 1.887) 1.951 35.229 ( 6.357 -3.697 -0.573) 7.376 36.479 ( -2.660 -7.300 0.297) 7.776 51.696 ( -16.491 28.685 -69.410) 76.893======================= Grid point 496 (198/489) =======================q-point: (-0.18 -0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( 12.425 -8.270 -10.343) 18.159 3.131 ( 21.631 -17.910 -1.308) 28.114 4.659 ( 0.876 -17.626 1.448) 17.707 4.820 ( 1.205 1.209 3.139) 3.573 5.402 ( -4.335 -7.486 -11.066) 14.046 6.190 ( 0.360 2.220 -3.842) 4.452 7.061 ( 1.385 -2.154 -0.014) 2.561 7.902 ( -1.065 13.894 15.308) 20.700 19.281 ( -0.182 0.814 1.894) 2.070 35.284 ( 5.388 -6.094 -0.611) 8.158 36.392 ( -0.194 -4.778 0.712) 4.835 51.355 ( -21.308 28.655 -69.626) 78.249======================= Grid point 497 (199/489) =======================q-point: (-0.12 -0.35 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.470 ( 16.869 -8.240 -11.887) 22.221 3.223 ( 12.945 -21.775 -3.626) 25.591 4.495 ( 0.114 -13.569 2.906) 13.877 4.926 ( 2.824 0.411 4.458) 5.293 5.242 ( 2.979 -7.727 -11.004) 13.772 6.206 ( 1.328 1.617 -4.055) 4.563 7.043 ( -0.197 -3.360 0.303) 3.380 8.078 ( -2.716 15.283 12.795) 20.116 19.296 ( -0.102 1.104 1.678) 2.011 35.275 ( 2.105 -8.035 -0.423) 8.317 36.397 ( 4.027 -1.744 0.747) 4.452 50.960 ( -21.830 24.310 -62.697) 70.700======================= Grid point 511 (200/489) =======================q-point: (-0.29 -0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( -0.000 -9.897 -5.857) 11.501 2.423 ( 0.000 -13.949 0.106) 13.949 4.558 ( -0.000 1.839 -0.611) 1.938 5.073 ( 0.000 -27.718 1.462) 27.756 5.681 ( -0.000 6.479 -10.673) 12.485 6.193 ( -0.000 0.184 -2.086) 2.094 6.971 ( 0.000 -1.039 -0.527) 1.165 7.748 ( 0.000 8.676 16.390) 18.544 19.275 ( 0.000 0.181 2.222) 2.229 35.108 ( 0.000 -2.346 -0.486) 2.396 36.532 ( 0.000 -9.567 0.499) 9.580 51.996 ( -0.000 33.084 -76.624) 83.462======================= Grid point 512 (201/489) =======================q-point: (-0.24 -0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 3.025 -11.054 -9.202) 14.697 2.416 ( 15.174 -15.908 0.259) 21.985 4.585 ( 1.410 -1.039 -1.246) 2.150 4.782 ( 1.310 -28.214 -2.240) 28.333 5.632 ( -5.719 0.261 -7.902) 9.758 6.199 ( -0.451 4.467 -5.020) 6.734 6.980 ( 2.400 -1.178 -0.594) 2.738 7.914 ( -0.003 10.008 19.363) 21.797 19.287 ( -0.134 0.418 2.621) 2.657 35.111 ( 3.352 -2.996 -0.576) 4.533 36.428 ( -1.035 -9.862 1.447) 10.021 51.920 ( -9.647 38.638 -86.317) 95.061======================= Grid point 513 (202/489) =======================q-point: (-0.18 -0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 8.564 -11.254 -12.171) 18.658 2.576 ( 21.600 -18.060 -0.289) 28.157 4.410 ( 1.465 -27.608 -4.944) 28.085 4.742 ( 6.653 -1.164 1.240) 6.867 5.440 ( -9.297 -4.926 -7.487) 12.913 6.210 ( -1.152 5.151 -6.522) 8.390 7.007 ( 2.346 -1.997 -0.550) 3.129 8.111 ( 0.289 12.409 19.312) 22.956 19.302 ( -0.199 0.757 2.770) 2.878 35.144 ( 4.559 -4.384 -0.614) 6.354 36.334 ( 0.092 -8.319 2.257) 8.620 51.686 ( -18.189 38.768 -89.478) 99.197======================= Grid point 514 (203/489) =======================q-point: (-0.12 -0.29 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( 14.374 -10.705 -13.786) 22.611 2.730 ( 18.193 -21.283 -2.511) 28.112 4.206 ( 8.883 -25.214 -3.766) 26.997 4.859 ( 5.439 -2.092 3.062) 6.582 5.204 ( -6.973 -4.036 -7.575) 11.059 6.206 ( -0.996 3.622 -6.329) 7.360 7.006 ( 0.762 -3.276 -0.029) 3.364 8.315 ( -0.991 13.954 15.733) 21.053 19.319 ( -0.254 1.054 2.594) 2.811 35.158 ( 3.136 -6.085 -0.458) 6.860 36.304 ( 3.403 -5.387 2.469) 6.833 51.313 ( -22.943 33.135 -83.731) 92.926======================= Grid point 529 (204/489) =======================q-point: (-0.24 -0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.000 -13.040 -10.662) 16.844 2.112 ( 0.000 -17.485 -0.203) 17.486 4.416 ( 0.000 -34.787 -7.253) 35.536 4.587 ( -0.000 1.504 -0.555) 1.603 5.633 ( -0.000 -5.407 -5.587) 7.775 6.243 ( -0.000 8.779 -8.995) 12.570 6.942 ( 0.000 -1.379 -0.673) 1.534 8.099 ( 0.000 9.866 22.517) 24.583 19.306 ( 0.000 0.564 3.236) 3.285 35.052 ( 0.000 -2.875 -0.620) 2.941 36.341 ( 0.000 -11.047 2.991) 11.445 52.023 ( -0.000 46.109 -100.610) 110.672======================= Grid point 530 (205/489) =======================q-point: (-0.18 -0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 3.647 -13.744 -13.133) 19.357 2.073 ( 15.062 -18.886 -0.137) 24.157 4.040 ( 1.492 -35.413 -8.956) 36.558 4.641 ( 4.799 0.843 0.030) 4.872 5.484 ( -5.941 -8.815 -5.266) 11.863 6.271 ( -2.037 8.501 -10.603) 13.742 6.946 ( 2.108 -1.714 -0.795) 2.831 8.304 ( 0.768 10.916 22.503) 25.022 19.326 ( -0.139 0.828 3.567) 3.665 35.042 ( 2.504 -3.370 -0.643) 4.248 36.251 ( 0.346 -10.527 4.484) 11.448 51.945 ( -11.249 48.015 -108.926) 119.570======================= Grid point 531 (206/489) =======================q-point: (-0.12 -0.24 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 10.262 -13.057 -15.195) 22.509 2.189 ( 19.578 -20.753 -1.140) 28.553 3.737 ( 8.350 -33.159 -8.617) 35.263 4.751 ( 6.524 -0.503 1.751) 6.773 5.248 ( -7.539 -8.470 -5.427) 12.571 6.255 ( -2.904 6.070 -9.509) 11.649 6.955 ( 1.560 -2.730 -0.432) 3.174 8.520 ( 0.434 12.118 18.289) 21.944 19.347 ( -0.311 1.085 3.483) 3.661 35.052 ( 2.946 -4.413 -0.502) 5.329 36.201 ( 2.651 -8.209 5.180) 10.062 51.652 ( -20.587 42.113 -106.294) 116.171======================= Grid point 547 (207/489) =======================q-point: (-0.18 -0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -0.000 -15.343 -13.976) 20.754 1.741 ( 0.000 -20.028 -0.191) 20.029 3.615 ( 0.000 -38.661 -10.804) 40.142 4.607 ( -0.000 1.014 -0.503) 1.132 5.413 ( 0.000 -11.621 -4.437) 12.439 6.329 ( -0.000 9.088 -13.472) 16.251 6.906 ( 0.000 -1.592 -0.802) 1.782 8.497 ( 0.000 10.069 23.249) 25.336 19.353 ( 0.000 1.016 4.056) 4.181 34.988 ( 0.000 -3.026 -0.680) 3.101 36.163 ( 0.000 -11.160 6.997) 13.172 52.046 ( -0.000 53.308 -124.975) 135.869======================= Grid point 548 (208/489) =======================q-point: (-0.12 -0.18 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( 4.661 -15.281 -15.562) 22.302 1.680 ( 14.746 -20.915 -0.243) 25.592 3.222 ( 5.246 -38.702 -10.959) 40.564 4.656 ( 4.721 0.498 0.317) 4.758 5.232 ( -4.653 -11.954 -4.410) 13.565 6.327 ( -2.854 7.189 -12.651) 14.828 6.902 ( 1.475 -1.984 -0.730) 2.577 8.698 ( 0.817 10.080 19.723) 22.165 19.379 ( -0.242 1.204 4.044) 4.226 34.971 ( 1.730 -3.276 -0.585) 3.750 36.104 ( 1.637 -9.862 8.755) 13.288 51.896 ( -13.286 49.723 -129.730) 139.567======================= Grid point 565 (209/489) =======================q-point: (-0.12 -0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( -0.000 -16.670 -15.049) 22.458 1.330 ( 0.000 -21.726 0.291) 21.728 2.728 ( 0.000 -41.734 -11.489) 43.286 4.618 ( -0.000 0.591 -0.432) 0.732 5.132 ( 0.000 -12.728 -3.977) 13.335 6.365 ( -0.000 6.628 -13.665) 15.188 6.868 ( -0.000 -1.571 -0.843) 1.782 8.863 ( 0.000 8.384 18.399) 20.220 19.411 ( 0.000 1.315 3.998) 4.209 34.925 ( 0.000 -2.745 -0.620) 2.814 36.036 ( 0.000 -9.868 12.243) 15.725 51.924 ( -0.000 51.095 -146.653) 155.299======================= Grid point 620 (210/489) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.404 ( 0.000 -0.000 15.061) 15.061 0.404 ( 0.000 -0.000 15.061) 15.061 1.726 ( 0.000 -0.000 66.389) 66.389 4.623 ( -0.000 0.000 -0.330) 0.330 4.623 ( -0.000 0.000 -0.330) 0.330 6.803 ( -0.000 0.000 -0.159) 0.159 6.803 ( -0.000 0.000 -0.159) 0.159 9.161 ( -0.000 0.000 -11.067) 11.067 19.494 ( 0.000 -0.000 0.005) 0.005 34.835 ( 0.000 -0.000 0.411) 0.411 34.835 ( 0.000 -0.000 0.411) 0.411 68.211 ( -0.000 0.000 -1.125) 1.125======================= Grid point 621 (211/489) =======================q-point: ( 0.18 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( 15.433 8.910 11.199) 21.047 0.801 ( 23.752 13.713 9.887) 29.154 2.078 ( 6.808 3.930 60.848) 61.354 4.615 ( -0.435 -0.251 -0.574) 0.762 4.684 ( 4.875 2.814 0.156) 5.631 6.792 ( -2.093 -1.208 4.933) 5.493 6.798 ( 0.138 0.079 -0.426) 0.455 9.013 ( -6.478 -3.740 -13.453) 15.393 19.445 ( -3.430 -1.980 -0.264) 3.969 34.842 ( 0.722 0.417 0.336) 0.899 35.061 ( 16.901 9.758 -7.845) 21.033 64.020 (-278.593 -160.846 203.819) 380.825======================= Grid point 622 (212/489) =======================q-point: ( 0.24 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 17.865 10.315 8.523) 22.320 1.381 ( 22.106 12.763 13.861) 29.047 2.557 ( 15.161 8.753 46.840) 50.005 4.597 ( -0.869 -0.502 -0.913) 1.357 4.833 ( 7.767 4.484 1.103) 9.036 6.747 ( -4.968 -2.868 10.501) 11.965 6.807 ( 0.774 0.447 -0.497) 1.022 8.803 ( -5.553 -3.206 -19.303) 20.340 19.368 ( -2.628 -1.517 -1.717) 3.487 34.870 ( 1.593 0.920 0.314) 1.866 35.422 ( 17.691 10.214 -10.938) 23.173 59.572 (-196.646 -113.533 237.929) 328.891======================= Grid point 623 (213/489) =======================q-point: ( 0.29 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 17.970 10.375 6.900) 21.867 1.916 ( 18.964 10.949 19.767) 29.500 3.149 ( 21.857 12.619 30.825) 39.839 4.567 ( -1.414 -0.817 -1.245) 2.054 5.028 ( 8.493 4.904 1.875) 9.985 6.653 ( -7.556 -4.363 12.267) 15.053 6.829 ( 1.300 0.751 -0.388) 1.550 8.601 ( -4.211 -2.431 -23.783) 24.275 19.317 ( -1.097 -0.633 -2.651) 2.938 34.916 ( 2.275 1.313 0.339) 2.648 35.757 ( 15.544 8.974 -8.313) 19.780 56.839 (-132.603 -76.558 191.854) 245.464======================= Grid point 624 (214/489) =======================q-point: ( 0.35 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 16.908 9.762 5.457) 20.272 2.418 ( 17.701 10.220 21.699) 29.810 3.779 ( 23.670 13.666 18.430) 32.965 4.523 ( -1.939 -1.119 -1.395) 2.638 5.216 ( 6.920 3.995 2.502) 8.373 6.521 ( -7.974 -4.604 10.455) 13.931 6.860 ( 1.578 0.911 -0.185) 1.832 8.405 ( -4.009 -2.315 -24.690) 25.120 19.293 ( -0.046 -0.027 -2.587) 2.588 34.974 ( 2.647 1.528 0.378) 3.080 36.056 ( 13.284 7.669 -4.795) 16.071 54.991 ( -97.236 -56.139 145.184) 183.534======================= Grid point 625 (215/489) =======================q-point: ( 0.41 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.377 ( 14.847 8.572 3.886) 17.579 2.903 ( 17.102 9.874 20.214) 28.259 4.329 ( 18.138 10.472 8.286) 22.524 4.469 ( -2.303 -1.330 -1.213) 2.923 5.365 ( 5.837 3.370 3.969) 7.822 6.406 ( -4.922 -2.842 7.030) 9.040 6.896 ( 1.555 0.898 0.019) 1.795 8.204 ( -4.883 -2.819 -22.809) 23.496 19.289 ( 0.402 0.232 -1.983) 2.037 35.036 ( 2.629 1.518 0.392) 3.060 36.316 ( 10.842 6.259 -1.997) 12.677 53.589 ( -75.254 -43.448 106.932) 137.788======================= Grid point 626 (216/489) =======================q-point: ( 0.47 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.693 ( 11.710 6.761 2.104) 13.684 3.361 ( 16.221 9.365 16.890) 25.221 4.411 ( -2.310 -1.334 -0.627) 2.740 4.574 ( 1.187 0.686 -1.737) 2.213 5.587 ( 12.687 7.325 6.779) 16.143 6.367 ( -0.818 -0.472 4.171) 4.276 6.929 ( 1.270 0.733 0.171) 1.476 7.989 ( -5.936 -3.427 -19.627) 20.789 19.292 ( 0.461 0.266 -1.302) 1.407 35.093 ( 2.202 1.271 0.359) 2.568 36.525 ( 7.980 4.607 -0.236) 9.218 52.464 ( -58.951 -34.035 75.698) 101.803======================= Grid point 627 (217/489) =======================q-point: ( 0.53 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.915 ( 7.267 4.195 0.136) 8.392 3.770 ( 13.958 8.059 11.496) 19.798 4.365 ( -1.621 -0.936 0.343) 1.903 4.428 ( -10.158 -5.865 -5.767) 13.071 5.941 ( 13.878 8.013 5.842) 17.057 6.385 ( 0.637 0.368 2.502) 2.608 6.954 ( 0.818 0.472 0.267) 0.981 7.783 ( -4.929 -2.846 -16.021) 17.002 19.297 ( 0.386 0.223 -0.788) 0.905 35.136 ( 1.429 0.825 0.286) 1.675 36.671 ( 4.719 2.725 0.601) 5.482 51.557 ( -45.009 -25.986 50.035) 72.143======================= Grid point 628 (218/489) =======================q-point: ( 0.59 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.013 ( 1.506 0.870 -1.793) 2.498 3.917 ( -8.491 -4.902 -10.854) 14.627 4.298 ( 5.787 3.341 10.507) 12.452 4.348 ( -0.054 -0.031 1.459) 1.461 6.168 ( 2.897 1.673 2.166) 3.985 6.401 ( -0.265 -0.153 1.496) 1.527 6.968 ( 0.297 0.172 0.337) 0.481 7.678 ( 2.167 1.251 -11.759) 12.022 19.303 ( 0.365 0.211 -0.490) 0.646 35.158 ( 0.438 0.253 0.209) 0.547 36.742 ( 1.319 0.762 0.790) 1.716 50.853 ( -32.044 -18.501 29.579) 47.371======================= Grid point 629 (219/489) =======================q-point: (-0.35 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.966 ( -4.592 -2.651 -3.198) 6.192 3.514 ( -18.070 -10.433 -16.261) 26.453 4.375 ( 1.661 0.959 2.226) 2.938 4.575 ( 10.539 6.085 12.651) 17.554 6.064 ( -11.381 -6.571 -1.515) 13.229 6.375 ( -2.393 -1.382 0.242) 2.774 6.970 ( -0.216 -0.125 0.417) 0.486 7.798 ( 11.374 6.567 -8.041) 15.400 19.310 ( 0.498 0.288 -0.350) 0.674 35.157 ( -0.607 -0.350 0.172) 0.721 36.739 ( -1.828 -1.056 0.644) 2.207 50.362 ( -19.630 -11.334 14.846) 27.096======================= Grid point 630 (220/489) =======================q-point: (-0.29 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.786 ( -9.722 -5.613 -3.813) 11.855 3.007 ( -20.188 -11.656 -16.857) 28.768 4.435 ( 2.511 1.450 2.389) 3.757 4.823 ( 5.044 2.912 13.407) 14.617 5.707 ( -17.123 -9.886 -3.451) 20.071 6.299 ( -4.029 -2.326 -0.758) 4.714 6.962 ( -0.673 -0.388 0.534) 0.943 8.067 ( 14.268 8.238 -7.509) 18.106 19.323 ( 0.795 0.459 -0.327) 0.974 35.133 ( -1.539 -0.888 0.205) 1.788 36.670 ( -4.337 -2.504 0.381) 5.022 50.095 ( -7.961 -4.597 7.019) 11.566======================= Grid point 631 (221/489) =======================q-point: (-0.24 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( -21.148 -12.210 -15.587) 28.970 2.504 ( -13.524 -7.808 -3.746) 16.059 4.502 ( 2.429 1.402 2.101) 3.504 4.771 ( -17.695 -10.216 10.817) 23.119 5.424 ( -3.896 -2.249 1.077) 4.626 6.198 ( -4.031 -2.327 -1.568) 4.912 6.945 ( -1.035 -0.598 0.685) 1.378 8.349 ( 13.406 7.740 -9.307) 18.062 19.344 ( 1.159 0.669 -0.493) 1.426 35.091 ( -2.230 -1.287 0.306) 2.593 36.552 ( -5.954 -3.438 -0.029) 6.876 50.065 ( 2.432 1.404 8.207) 8.674======================= Grid point 632 (222/489) =======================q-point: (-0.18 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -21.062 -12.160 -11.406) 26.862 2.151 ( -16.179 -9.341 -3.124) 18.941 4.218 ( -30.900 -17.840 6.406) 36.250 4.558 ( 1.838 1.061 1.571) 2.640 5.422 ( -1.986 -1.146 8.118) 8.436 6.136 ( -0.200 -0.115 -0.438) 0.495 6.922 ( -1.276 -0.737 0.834) 1.693 8.584 ( 11.315 6.533 -12.379) 17.999 19.370 ( 1.420 0.820 -1.077) 1.962 35.037 ( -2.606 -1.504 0.443) 3.041 36.406 ( -6.685 -3.860 -1.119) 7.800 50.283 ( 11.389 6.575 22.775) 26.299======================= Grid point 633 (223/489) =======================q-point: (-0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -19.256 -11.117 -2.037) 22.328 1.753 ( -17.895 -10.332 -1.992) 20.760 3.496 ( -34.774 -20.077 7.277) 40.808 4.597 ( 1.116 0.644 0.966) 1.610 5.335 ( -8.386 -4.842 7.214) 12.075 6.201 ( 4.566 2.636 5.850) 7.875 6.895 ( -1.383 -0.799 0.911) 1.839 8.754 ( 9.038 5.218 -15.920) 19.036 19.396 ( 1.411 0.815 -2.329) 2.842 34.979 ( -2.648 -1.529 0.562) 3.109 36.240 ( -7.006 -4.045 -4.328) 9.175 50.813 ( 21.215 12.249 60.997) 65.732======================= Grid point 638 (224/489) =======================q-point: ( 0.18 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( 0.000 13.757 10.623) 17.381 0.907 ( -0.000 26.323 12.058) 28.954 2.340 ( 0.000 5.943 60.603) 60.894 4.624 ( -0.000 0.100 -0.330) 0.344 4.689 ( -0.000 7.338 -0.493) 7.354 6.803 ( 0.000 0.535 2.434) 2.492 6.821 ( -0.000 1.255 0.057) 1.257 8.926 ( -0.000 -11.758 -14.237) 18.464 19.443 ( 0.000 -4.275 -0.087) 4.276 34.855 ( -0.000 1.346 0.617) 1.481 35.021 ( -0.000 16.836 -5.613) 17.747 64.779 ( 0.000 -279.066 153.473) 318.484======================= Grid point 639 (225/489) =======================q-point: ( 0.24 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( 15.861 14.493 8.172) 22.987 1.307 ( 10.816 22.478 13.514) 28.370 2.698 ( 5.211 9.068 52.095) 53.135 4.622 ( -0.565 1.078 -0.877) 1.500 4.799 ( 3.199 8.751 0.588) 9.335 6.818 ( -0.913 0.770 4.167) 4.335 6.822 ( -1.569 0.617 1.812) 2.475 8.710 ( -2.066 -12.428 -18.178) 22.118 19.380 ( -1.937 -3.637 -0.732) 4.185 34.874 ( 0.228 2.137 0.539) 2.215 35.265 ( 10.462 16.350 -7.962) 20.980 61.755 (-121.162 -209.200 197.228) 311.999======================= Grid point 640 (226/489) =======================q-point: ( 0.29 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 15.622 16.112 7.135) 23.549 1.795 ( 16.741 14.939 16.951) 28.120 3.141 ( 11.578 12.385 38.544) 42.108 4.614 ( -2.075 2.771 -1.431) 3.746 4.964 ( 5.854 7.470 2.168) 9.735 6.769 ( -5.358 -3.878 9.532) 11.602 6.837 ( -0.265 2.720 0.227) 2.742 8.482 ( -0.996 -9.906 -23.686) 25.694 19.317 ( -1.378 -1.967 -1.656) 2.917 34.912 ( 1.053 2.863 0.501) 3.091 35.583 ( 13.032 13.400 -7.442) 20.119 58.823 (-118.639 -136.015 186.182) 259.305======================= Grid point 641 (227/489) =======================q-point: ( 0.35 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 13.436 16.597 6.643) 22.364 2.300 ( 18.382 10.750 19.363) 28.781 3.647 ( 16.913 12.756 24.235) 32.189 4.595 ( -3.606 4.623 -1.359) 6.019 5.147 ( 6.645 4.943 3.305) 8.917 6.647 ( -7.747 -6.195 10.227) 14.247 6.865 ( 0.160 2.989 -0.007) 2.994 8.282 ( -0.088 -7.388 -26.259) 27.279 19.283 ( -0.270 -0.714 -2.034) 2.173 34.968 ( 1.485 3.593 0.514) 3.921 35.895 ( 12.922 10.371 -5.049) 17.321 56.599 ( -98.490 -93.475 152.312) 204.051======================= Grid point 642 (228/489) =======================q-point: ( 0.41 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( 11.539 15.992 5.542) 20.484 2.787 ( 17.597 9.113 19.299) 27.661 4.127 ( 17.041 7.098 10.594) 21.284 4.583 ( -4.009 8.158 0.044) 9.090 5.306 ( 5.967 2.462 4.657) 7.960 6.497 ( -6.717 -5.678 7.650) 11.657 6.899 ( 0.368 2.917 0.019) 2.940 8.103 ( -0.601 -6.167 -24.966) 25.723 19.273 ( 0.469 -0.129 -1.820) 1.884 35.034 ( 1.417 4.232 0.521) 4.493 36.177 ( 11.752 7.474 -2.528) 14.155 54.871 ( -80.959 -68.559 117.315) 158.169======================= Grid point 643 (229/489) =======================q-point: ( 0.47 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 8.809 15.503 3.578) 18.187 3.233 ( 16.279 6.855 17.063) 24.559 4.362 ( 5.221 -1.845 -0.332) 5.548 4.637 ( -2.177 8.934 -0.332) 9.201 5.480 ( 9.661 4.216 7.565) 12.975 6.399 ( -2.591 -2.877 4.675) 6.070 6.933 ( 0.320 2.577 0.097) 2.598 7.921 ( -2.087 -6.093 -21.627) 22.565 19.277 ( 0.738 -0.029 -1.343) 1.533 35.100 ( 0.858 4.657 0.485) 4.760 36.414 ( 9.837 4.601 -0.645) 10.879 53.469 ( -66.444 -52.050 86.317) 120.726======================= Grid point 644 (230/489) =======================q-point: ( 0.53 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.919 ( 4.349 15.021 1.143) 15.679 3.607 ( 14.887 1.467 12.057) 19.213 4.369 ( -0.495 -1.508 -0.321) 1.619 4.574 ( -9.370 2.687 -5.203) 11.050 5.792 ( 14.837 6.837 7.641) 18.035 6.384 ( 0.463 -0.928 2.790) 2.977 6.960 ( 0.097 2.099 0.165) 2.108 7.731 ( -2.863 -6.038 -17.861) 19.070 19.284 ( 0.739 -0.146 -0.894) 1.169 35.155 ( -0.097 4.773 0.404) 4.791 36.591 ( 7.277 1.778 0.438) 7.503 52.316 ( -53.388 -39.596 60.199) 89.678======================= Grid point 645 (231/489) =======================q-point: ( 0.59 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( -1.898 13.191 -1.316) 13.392 3.804 ( 6.611 -9.667 -1.710) 11.836 4.309 ( -3.587 -2.244 2.449) 4.889 4.477 ( -4.225 10.398 0.783) 11.250 6.094 ( 9.528 2.777 4.342) 10.833 6.399 ( 0.679 -0.920 1.640) 1.999 6.978 ( -0.231 1.683 0.239) 1.715 7.584 ( 0.707 -3.768 -14.007) 14.522 19.291 ( 0.695 -0.269 -0.609) 0.962 35.191 ( -1.276 4.542 0.306) 4.728 36.697 ( 4.278 -0.815 0.850) 4.437 51.392 ( -40.732 -29.227 39.392) 63.758======================= Grid point 646 (232/489) =======================q-point: (-0.35 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.091 ( -8.394 8.220 -3.383) 12.226 3.593 ( -10.955 -11.769 -14.108) 21.390 4.322 ( 3.816 -1.606 4.898) 6.413 4.617 ( 2.937 13.076 8.616) 15.933 6.138 ( -4.576 -5.712 0.342) 7.327 6.387 ( -0.973 -2.184 0.368) 2.419 6.987 ( -0.675 1.501 0.361) 1.685 7.612 ( 10.236 1.635 -10.117) 14.485 19.298 ( 0.756 -0.274 -0.497) 0.945 35.202 ( -2.466 3.991 0.239) 4.698 36.728 ( 1.174 -2.929 0.829) 3.262 50.701 ( -27.990 -20.076 24.670) 42.369======================= Grid point 647 (233/489) =======================q-point: (-0.29 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( -12.976 -2.176 -6.198) 14.544 3.193 ( -18.163 -3.697 -13.606) 22.993 4.405 ( 3.889 0.810 3.552) 5.329 4.851 ( 5.087 9.440 11.995) 16.089 5.862 ( -15.158 -12.080 -2.423) 19.533 6.328 ( -2.766 -3.213 -0.533) 4.273 6.988 ( -1.257 1.516 0.521) 2.037 7.838 ( 15.745 4.719 -8.910) 18.697 19.308 ( 0.970 -0.128 -0.535) 1.115 35.188 ( -3.468 3.197 0.239) 4.723 36.690 ( -1.666 -4.346 0.582) 4.691 50.266 ( -15.162 -11.873 17.258) 25.859======================= Grid point 648 (234/489) =======================q-point: (-0.24 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( -16.484 -12.329 -10.581) 23.145 2.825 ( -21.404 5.048 -7.343) 23.184 4.489 ( 2.248 2.318 2.942) 4.368 5.002 ( -6.266 1.778 14.463) 15.862 5.463 ( -10.522 -11.405 -3.237) 15.851 6.232 ( -3.831 -3.467 -1.105) 5.283 6.979 ( -1.861 1.539 0.686) 2.510 8.120 ( 15.836 5.139 -10.519) 19.694 19.324 ( 1.270 0.116 -0.774) 1.492 35.151 ( -4.131 2.273 0.312) 4.725 36.597 ( -3.954 -4.962 0.121) 6.345 50.109 ( -2.544 -4.683 19.026) 19.758======================= Grid point 649 (235/489) =======================q-point: (-0.18 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( -18.637 -11.785 -7.999) 23.456 2.471 ( -23.306 4.577 -4.172) 24.114 4.497 ( -9.958 -7.579 5.702) 13.752 4.686 ( -18.745 -1.535 3.267) 19.090 5.407 ( 4.021 -4.389 7.347) 9.456 6.145 ( -1.976 -1.625 -0.448) 2.597 6.961 ( -2.328 1.404 0.823) 2.841 8.371 ( 13.729 4.917 -13.562) 19.914 19.346 ( 1.489 0.343 -1.386) 2.063 35.097 ( -4.382 1.340 0.430) 4.602 36.464 ( -5.629 -4.835 -0.918) 7.477 50.263 ( 9.902 1.417 33.261) 34.732======================= Grid point 650 (236/489) =======================q-point: (-0.12 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( -18.547 -8.367 0.943) 20.369 2.086 ( -24.741 3.111 -2.083) 25.023 3.931 ( -32.971 -16.526 7.647) 37.666 4.639 ( -1.904 5.539 0.271) 5.863 5.398 ( -2.731 -8.548 7.839) 11.916 6.168 ( 4.034 1.350 5.058) 6.609 6.935 ( -2.544 1.007 0.868) 2.870 8.563 ( 10.921 4.980 -17.069) 20.867 19.367 ( 1.453 0.440 -2.550) 2.967 35.035 ( -4.220 0.509 0.539) 4.285 36.304 ( -7.051 -4.220 -3.453) 8.913 50.792 ( 24.316 6.888 66.366) 71.015======================= Grid point 656 (237/489) =======================q-point: ( 0.24 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -0.000 17.855 7.518) 19.373 1.523 ( 0.000 23.182 16.528) 28.470 2.967 ( 0.000 10.526 47.419) 48.573 4.621 ( -0.000 -0.045 -0.441) 0.443 4.892 ( -0.000 13.077 -0.034) 13.078 6.851 ( -0.000 1.698 0.124) 1.703 6.857 ( 0.000 1.111 5.077) 5.197 8.497 ( -0.000 -16.706 -18.992) 25.294 19.353 ( 0.000 -4.107 -0.755) 4.175 34.896 ( -0.000 2.220 0.691) 2.325 35.325 ( -0.000 19.079 -7.008) 20.325 61.361 ( 0.000 -217.013 179.307) 281.506======================= Grid point 657 (238/489) =======================q-point: ( 0.29 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 14.151 17.748 6.305) 23.559 1.855 ( 5.391 18.208 19.941) 27.536 3.301 ( 4.179 13.146 37.222) 39.696 4.632 ( 1.184 0.655 -0.970) 1.665 5.027 ( 0.203 13.136 1.360) 13.208 6.843 ( -3.054 -1.430 4.551) 5.664 6.880 ( -0.687 1.907 3.049) 3.661 8.253 ( 1.022 -15.303 -22.851) 27.520 19.306 ( -0.732 -2.838 -1.182) 3.160 34.929 ( 0.736 2.926 0.650) 3.086 35.538 ( 6.339 17.420 -6.179) 19.540 59.594 ( -59.745 -170.323 167.866) 246.492======================= Grid point 658 (239/489) =======================q-point: ( 0.35 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 16.219 18.722 5.883) 25.459 2.229 ( 10.984 11.876 21.666) 27.039 3.674 ( 7.962 14.009 24.599) 29.407 4.660 ( 0.699 2.852 -1.612) 3.349 5.164 ( 1.061 10.201 3.694) 10.901 6.747 ( -6.688 -6.621 8.384) 12.604 6.904 ( -0.463 3.298 0.654) 3.394 8.051 ( 2.875 -11.179 -25.837) 28.298 19.270 ( -0.298 -1.349 -1.502) 2.041 34.986 ( 1.494 4.033 0.639) 4.348 35.803 ( 8.903 13.995 -4.528) 17.194 57.653 ( -74.099 -125.339 145.437) 205.797======================= Grid point 659 (240/489) =======================q-point: ( 0.41 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 11.377 19.296 7.599) 23.654 2.653 ( 16.875 8.143 19.057) 26.725 4.028 ( 9.507 10.343 11.150) 17.935 4.699 ( -0.261 5.950 -1.249) 6.086 5.292 ( 2.089 6.330 6.287) 9.163 6.580 ( -7.239 -8.227 7.098) 13.056 6.934 ( -0.280 3.676 -0.043) 3.687 7.902 ( 2.960 -8.097 -24.740) 26.199 19.256 ( 0.350 -0.455 -1.477) 1.585 35.062 ( 1.619 5.337 0.653) 5.616 36.064 ( 9.552 10.004 -2.563) 14.068 55.900 ( -72.092 -93.308 117.456) 166.432======================= Grid point 660 (241/489) =======================q-point: ( 0.47 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( 8.311 18.089 8.224) 21.539 3.093 ( 16.501 7.087 14.939) 23.360 4.258 ( 6.342 3.807 -0.343) 7.405 4.748 ( -1.273 6.016 -2.046) 6.480 5.433 ( 4.817 5.434 9.511) 11.966 6.434 ( -4.028 -5.709 4.338) 8.224 6.964 ( -0.276 3.461 -0.271) 3.483 7.767 ( 1.255 -7.208 -21.153) 22.382 19.257 ( 0.729 -0.200 -1.193) 1.412 35.146 ( 0.982 6.622 0.637) 6.724 36.295 ( 9.120 5.821 -0.889) 10.856 54.374 ( -65.042 -70.749 89.617) 131.404======================= Grid point 661 (242/489) =======================q-point: ( 0.53 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.028 ( 5.855 18.278 5.895) 20.078 3.441 ( 11.488 2.531 10.038) 15.464 4.340 ( 2.522 1.054 -2.937) 4.012 4.714 ( -5.647 2.591 -5.278) 8.152 5.670 ( 10.683 6.779 10.008) 16.132 6.375 ( -0.172 -2.711 2.482) 3.680 6.988 ( -0.380 2.932 -0.356) 2.978 7.618 ( -0.692 -7.332 -17.158) 18.672 19.264 ( 0.830 -0.318 -0.850) 1.230 35.226 ( -0.316 7.621 0.564) 7.648 36.476 ( 7.899 1.738 0.212) 8.091 53.065 ( -56.031 -53.830 64.737) 101.134======================= Grid point 662 (243/489) =======================q-point: ( 0.59 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( -0.448 20.990 1.563) 21.053 3.586 ( 5.957 -8.696 1.333) 10.625 4.347 ( -1.722 -1.286 0.520) 2.211 4.643 ( -3.686 8.482 -3.233) 9.797 5.962 ( 11.440 3.690 6.656) 13.740 6.375 ( 1.186 -1.920 1.302) 2.606 7.006 ( -0.465 2.426 -0.350) 2.494 7.469 ( -0.254 -6.489 -13.399) 14.890 19.271 ( 0.823 -0.526 -0.602) 1.147 35.286 ( -2.019 8.089 0.454) 8.349 36.596 ( 6.052 -1.861 0.739) 6.375 51.972 ( -45.705 -40.255 44.384) 75.362======================= Grid point 663 (244/489) =======================q-point: ( 0.65 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.353 ( -11.861 9.164 -5.994) 16.143 3.546 ( 0.335 -2.893 -4.854) 5.661 4.298 ( -0.728 -1.763 3.609) 4.082 4.745 ( 1.378 12.995 3.399) 13.502 6.114 ( 2.223 -3.852 2.549) 5.126 6.369 ( 0.231 -2.912 0.042) 2.921 7.019 ( -0.548 2.334 -0.130) 2.401 7.416 ( 6.605 -2.523 -9.848) 12.123 19.277 ( 0.869 -0.627 -0.504) 1.184 35.317 ( -3.780 7.863 0.355) 8.732 36.651 ( 3.772 -4.564 0.843) 5.981 51.111 ( -34.140 -28.810 29.835) 53.719======================= Grid point 664 (245/489) =======================q-point: (-0.29 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.079 ( -13.908 -7.684 -10.731) 19.173 3.461 ( -14.304 11.742 -5.883) 19.419 4.353 ( 4.935 0.763 4.955) 7.035 4.928 ( 3.056 11.053 7.172) 13.526 5.961 ( -10.791 -11.650 -0.634) 15.893 6.326 ( -1.321 -3.734 -0.682) 4.019 7.031 ( -1.012 2.559 0.280) 2.766 7.566 ( 14.899 1.567 -8.248) 17.101 19.285 ( 1.042 -0.537 -0.554) 1.297 35.314 ( -5.252 6.921 0.313) 8.694 36.645 ( 1.296 -6.066 0.699) 6.242 50.513 ( -21.432 -18.953 22.412) 36.344======================= Grid point 665 (246/489) =======================q-point: (-0.24 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.690 ( -16.427 -8.847 -9.897) 21.120 3.247 ( -21.286 11.908 -4.983) 24.894 4.484 ( 4.337 4.195 3.954) 7.214 5.112 ( 3.683 6.412 10.258) 12.646 5.565 ( -18.002 -15.358 -2.179) 23.763 6.247 ( -2.768 -3.986 -0.945) 4.944 7.035 ( -1.753 2.600 0.572) 3.188 7.833 ( 17.204 3.064 -9.493) 19.887 19.298 ( 1.300 -0.288 -0.781) 1.544 35.278 ( -6.177 5.402 0.343) 8.213 36.586 ( -1.146 -6.281 0.364) 6.395 50.215 ( -7.817 -10.591 23.663) 27.078======================= Grid point 666 (247/489) =======================q-point: (-0.18 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -18.188 -6.354 -5.182) 19.951 2.943 ( -24.826 10.198 -3.345) 27.047 4.583 ( -1.173 4.237 3.679) 5.733 5.034 ( -23.860 -9.074 2.824) 25.683 5.288 ( 6.587 -5.208 6.650) 10.712 6.162 ( -2.467 -2.433 -0.343) 3.482 7.025 ( -2.492 2.212 0.714) 3.408 8.105 ( 15.897 3.858 -12.187) 20.399 19.316 ( 1.491 0.002 -1.298) 1.977 35.216 ( -6.447 3.579 0.422) 7.386 36.490 ( -3.434 -5.391 -0.359) 6.402 50.257 ( 6.681 -3.871 35.713) 36.538======================= Grid point 667 (248/489) =======================q-point: (-0.12 0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -18.395 -2.237 3.518) 18.862 2.583 ( -26.913 8.319 -1.338) 28.202 4.336 ( -27.001 -11.639 6.172) 30.043 4.759 ( -5.022 6.394 -1.454) 8.260 5.337 ( 2.440 -9.852 8.316) 13.121 6.145 ( 1.641 0.481 3.332) 3.745 6.999 ( -2.998 1.297 0.679) 3.337 8.337 ( 13.182 4.972 -15.375) 20.853 19.335 ( 1.434 0.205 -2.237) 2.665 35.137 ( -6.103 1.789 0.493) 6.379 36.362 ( -5.690 -3.775 -1.995) 7.114 50.697 ( 23.321 0.973 61.828) 66.087======================= Grid point 674 (249/489) =======================q-point: ( 0.29 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( -0.000 18.266 5.963) 19.214 2.081 ( 0.000 15.702 23.881) 28.581 3.553 ( 0.000 15.427 29.776) 33.535 4.613 ( -0.000 -0.282 -0.649) 0.708 5.178 ( -0.000 14.982 1.127) 15.024 6.887 ( -0.000 1.831 0.067) 1.832 6.902 ( 0.000 -2.962 7.300) 7.878 7.984 ( -0.000 -15.688 -23.501) 28.257 19.280 ( 0.000 -2.466 -1.124) 2.710 34.951 ( -0.000 2.757 0.632) 2.828 35.644 ( -0.000 18.627 -4.933) 19.269 59.089 ( 0.000 -163.840 150.720) 222.621======================= Grid point 675 (250/489) =======================q-point: ( 0.35 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 13.837 17.802 5.140) 23.125 2.343 ( 2.639 10.773 26.565) 28.788 3.840 ( 2.158 16.951 19.387) 25.843 4.630 ( 2.530 0.088 -1.038) 2.736 5.314 ( -1.679 13.788 2.635) 14.138 6.816 ( -5.660 -7.356 6.391) 11.269 6.931 ( 1.005 1.351 1.129) 2.027 7.774 ( 3.160 -11.012 -24.301) 26.866 19.254 ( -0.097 -1.409 -1.172) 1.835 34.996 ( 1.600 3.292 0.596) 3.708 35.835 ( 3.449 16.889 -3.542) 17.597 57.876 ( -35.285 -137.382 131.900) 193.692======================= Grid point 676 (251/489) =======================q-point: ( 0.41 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 18.790 18.318 4.747) 26.667 2.610 ( 6.458 5.706 25.976) 27.368 4.099 ( 2.196 15.038 7.911) 17.133 4.688 ( 3.926 1.217 -1.606) 4.413 5.417 ( -2.391 11.178 5.668) 12.759 6.635 ( -6.848 -11.015 5.243) 13.990 6.966 ( 0.537 2.606 -0.265) 2.674 7.659 ( 4.347 -6.755 -21.820) 23.251 19.241 ( 0.221 -0.529 -1.116) 1.255 35.076 ( 2.854 4.477 0.622) 5.345 36.045 ( 4.884 13.316 -2.079) 14.335 56.437 ( -50.331 -109.329 109.581) 162.770======================= Grid point 677 (252/489) =======================q-point: ( 0.47 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( 10.910 16.024 11.711) 22.649 2.931 ( 16.518 5.240 15.348) 23.149 4.259 ( 0.574 10.166 -2.387) 10.458 4.754 ( 2.863 0.776 -3.013) 4.228 5.517 ( -0.792 9.429 9.444) 13.369 6.453 ( -4.350 -8.625 2.866) 10.076 6.996 ( 0.168 2.880 -0.925) 3.030 7.578 ( 2.879 -5.792 -17.764) 18.905 19.240 ( 0.525 -0.178 -0.922) 1.076 35.182 ( 3.020 6.179 0.661) 6.909 36.235 ( 5.315 8.623 -0.808) 10.161 55.005 ( -54.121 -85.450 85.821) 132.650======================= Grid point 678 (253/489) =======================q-point: ( 0.53 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.067 ( 8.643 4.888 16.568) 19.315 3.356 ( 13.724 14.385 3.833) 20.248 4.316 ( 0.206 5.773 -7.004) 9.079 4.751 ( -0.660 -1.195 -5.017) 5.200 5.672 ( 3.387 8.694 10.795) 14.268 6.355 ( -0.691 -4.669 1.424) 4.930 7.019 ( -0.140 2.545 -1.320) 2.870 7.481 ( 0.559 -6.315 -13.810) 15.195 19.245 ( 0.656 -0.259 -0.672) 0.975 35.298 ( 1.879 8.118 0.651) 8.358 36.383 ( 5.300 3.378 0.077) 6.285 53.677 ( -51.890 -65.935 63.267) 105.084======================= Grid point 679 (254/489) =======================q-point: ( 0.59 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.296 ( 10.093 -4.482 10.379) 15.155 3.638 ( -1.466 20.483 -1.995) 20.632 4.344 ( 1.131 1.527 -2.877) 3.448 4.714 ( 0.046 3.134 -5.310) 6.166 5.875 ( 6.777 5.168 8.403) 11.969 6.333 ( 1.315 -2.981 0.522) 3.300 7.031 ( -0.217 2.001 -1.593) 2.567 7.362 ( -0.796 -6.311 -10.093) 11.930 19.250 ( 0.685 -0.509 -0.477) 0.977 35.403 ( -0.418 9.813 0.573) 9.839 36.480 ( 5.075 -1.692 0.545) 5.377 52.504 ( -45.937 -49.837 44.073) 80.848======================= Grid point 680 (255/489) =======================q-point: ( 0.65 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.341 ( 1.911 -12.138 -3.624) 12.810 3.766 ( -7.075 25.038 -0.054) 26.018 4.324 ( -2.492 -1.785 1.212) 3.296 4.816 ( 4.966 9.911 -1.384) 11.172 6.032 ( 4.844 -1.720 4.529) 6.851 6.325 ( 1.050 -3.488 -0.521) 3.679 7.042 ( 0.222 1.912 -1.572) 2.485 7.274 ( 1.800 -4.136 -6.689) 8.068 19.254 ( 0.745 -0.690 -0.396) 1.090 35.475 ( -3.352 10.610 0.466) 11.137 36.529 ( 4.622 -5.649 0.689) 7.332 51.530 ( -37.183 -36.329 29.961) 60.000======================= Grid point 681 (256/489) =======================q-point: (-0.29 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.137 ( -8.163 -9.442 -9.578) 15.733 3.844 ( -12.680 21.039 -1.387) 24.604 4.307 ( 2.747 -0.186 4.036) 4.885 4.999 ( 3.854 9.686 2.156) 10.645 5.991 ( -5.037 -9.680 1.107) 10.968 6.295 ( 0.061 -3.784 -0.924) 3.896 7.066 ( 0.204 2.764 -0.595) 2.835 7.320 ( 10.053 -0.898 -5.485) 11.487 19.259 ( 0.921 -0.669 -0.439) 1.220 35.497 ( -6.116 9.912 0.393) 11.653 36.536 ( 3.703 -7.601 0.638) 8.479 50.800 ( -26.055 -24.933 22.395) 42.451======================= Grid point 682 (257/489) =======================q-point: (-0.24 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( -13.364 -5.495 -8.128) 16.579 3.720 ( -20.198 14.607 -2.487) 25.050 4.449 ( 7.152 5.300 4.135) 9.815 5.132 ( 2.316 3.404 2.907) 5.040 5.714 ( -14.234 -11.604 1.228) 18.406 6.241 ( -1.498 -3.771 -0.830) 4.142 7.087 ( -0.938 2.701 0.153) 2.864 7.530 ( 16.329 1.452 -6.846) 17.766 19.270 ( 1.185 -0.444 -0.616) 1.407 35.465 ( -7.934 7.661 0.387) 11.036 36.514 ( 2.062 -7.253 0.470) 7.555 50.364 ( -12.900 -15.536 22.693) 30.377======================= Grid point 683 (258/489) =======================q-point: (-0.18 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( -16.235 -1.180 -3.060) 16.563 3.458 ( -23.916 10.988 -1.388) 26.357 4.640 ( 4.479 8.688 2.534) 10.098 5.115 ( -2.523 -13.761 -2.950) 14.298 5.377 ( -14.825 -2.217 8.733) 17.348 6.176 ( -1.959 -2.165 -0.131) 2.923 7.086 ( -1.901 1.815 0.349) 2.651 7.810 ( 17.257 3.171 -9.370) 19.891 19.286 ( 1.398 -0.121 -0.990) 1.718 35.386 ( -8.491 4.575 0.431) 9.655 36.469 ( -0.294 -5.201 0.103) 5.210 50.267 ( 2.042 -8.348 32.145) 33.274======================= Grid point 684 (259/489) =======================q-point: (-0.12 0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( -17.256 3.313 4.746) 18.201 3.120 ( -26.366 7.996 0.313) 27.554 4.657 ( -17.645 -4.117 1.681) 18.197 4.863 ( -1.342 -0.044 -3.713) 3.949 5.264 ( -2.602 -6.764 10.172) 12.489 6.150 ( -0.176 0.472 2.277) 2.332 7.059 ( -2.709 0.443 0.259) 2.757 8.083 ( 15.418 4.826 -12.414) 20.374 19.304 ( 1.378 0.157 -1.658) 2.161 35.277 ( -7.988 1.669 0.472) 8.174 36.402 ( -3.141 -2.452 -0.753) 4.056 50.562 ( 19.135 -3.883 52.130) 55.667======================= Grid point 692 (260/489) =======================q-point: ( 0.35 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -0.000 17.069 4.932) 17.767 2.531 ( 0.000 6.379 30.021) 30.691 4.072 ( 0.000 19.292 11.091) 22.253 4.598 ( -0.000 -0.615 -0.916) 1.103 5.478 ( -0.000 13.614 2.567) 13.854 6.806 ( 0.000 -13.611 4.938) 14.479 6.923 ( -0.000 1.728 -0.043) 1.728 7.562 ( -0.000 -5.676 -21.076) 21.827 19.238 ( -0.000 -0.892 -0.974) 1.321 35.013 ( -0.000 2.912 0.482) 2.952 35.966 ( -0.000 17.275 -2.387) 17.439 57.368 ( 0.000 -129.978 115.538) 173.906======================= Grid point 693 (261/489) =======================q-point: ( 0.41 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( 14.046 16.177 4.243) 21.840 2.713 ( 1.433 1.600 30.549) 30.624 4.283 ( -1.030 18.535 1.751) 18.646 4.617 ( 3.324 -0.407 -1.295) 3.591 5.598 ( -2.190 11.922 4.340) 12.875 6.623 ( -4.381 -15.057 1.683) 15.771 6.959 ( 1.848 1.380 -0.513) 2.362 7.473 ( 2.253 -1.968 -16.115) 16.390 19.229 ( 0.110 -0.277 -0.802) 0.856 35.066 ( 2.573 3.245 0.440) 4.165 36.132 ( 1.134 15.292 -1.290) 15.388 56.410 ( -23.714 -112.449 96.797) 150.255======================= Grid point 694 (262/489) =======================q-point: ( 0.47 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 21.719 16.036 3.485) 27.221 2.873 ( 3.551 -2.731 27.572) 27.934 4.398 ( -3.525 14.897 -6.121) 16.487 4.674 ( 4.105 -0.938 -2.728) 5.017 5.688 ( -2.575 10.470 7.455) 13.109 6.429 ( -3.133 -10.863 0.441) 11.314 6.998 ( 1.491 1.488 -1.413) 2.536 7.431 ( 1.796 -2.260 -12.191) 12.528 19.229 ( 0.266 0.035 -0.606) 0.663 35.167 ( 4.712 4.266 0.471) 6.374 36.281 ( 0.987 11.560 -0.408) 11.609 55.251 ( -36.633 -92.360 76.504) 125.401======================= Grid point 695 (263/489) =======================q-point: ( 0.53 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.013 ( 5.703 -6.195 21.846) 23.412 3.213 ( 22.998 16.726 2.548) 28.551 4.415 ( -5.471 11.958 -10.477) 16.813 4.692 ( 2.159 -3.117 -3.592) 5.223 5.791 ( -0.947 9.482 9.174) 13.228 6.318 ( -0.637 -5.754 0.066) 5.790 7.024 ( 0.843 1.264 -2.163) 2.643 7.375 ( 0.212 -3.604 -9.017) 9.713 19.232 ( 0.339 -0.021 -0.409) 0.531 35.308 ( 5.504 5.971 0.513) 8.137 36.382 ( 0.467 6.564 0.160) 6.583 54.049 ( -41.740 -73.219 56.472) 101.451======================= Grid point 696 (264/489) =======================q-point: ( 0.59 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.122 ( 7.176 -9.686 12.902) 17.657 3.747 ( 15.975 20.255 2.123) 25.884 4.374 ( -4.734 6.898 -8.622) 12.014 4.680 ( 1.684 -0.721 -4.171) 4.555 5.908 ( 0.737 6.355 8.020) 10.259 6.281 ( 1.013 -3.299 -0.269) 3.461 7.033 ( 0.391 0.692 -2.733) 2.846 7.294 ( -1.236 -4.107 -5.893) 7.289 19.235 ( 0.351 -0.277 -0.263) 0.519 35.467 ( 4.396 8.275 0.509) 9.384 36.426 ( 0.333 0.779 0.420) 0.945 52.907 ( -41.317 -56.160 38.776) 79.778======================= Grid point 697 (265/489) =======================q-point: ( 0.65 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.162 ( 5.018 -10.645 2.579) 12.048 4.108 ( -1.472 24.978 0.669) 25.030 4.343 ( -0.693 0.084 -1.066) 1.275 4.749 ( 8.150 4.119 -4.591) 10.221 5.990 ( 1.145 0.093 5.246) 5.371 6.268 ( 1.135 -3.183 -0.821) 3.478 7.032 ( 0.684 0.259 -2.962) 3.051 7.218 ( -1.065 -2.723 -2.817) 4.060 19.237 ( 0.408 -0.506 -0.210) 0.683 35.612 ( 1.042 10.769 0.453) 10.829 36.418 ( 1.303 -5.022 0.466) 5.210 51.898 ( -36.647 -41.393 25.306) 60.801======================= Grid point 698 (266/489) =======================q-point: (-0.29 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.101 ( -1.151 -7.465 -4.427) 8.755 4.256 ( -7.861 23.327 1.106) 24.641 4.299 ( -2.986 -1.570 1.119) 3.554 4.967 ( 10.218 6.132 -1.862) 12.061 5.967 ( -2.037 -7.364 2.086) 7.921 6.249 ( 0.680 -2.954 -0.823) 3.141 7.056 ( 2.849 1.594 -2.373) 4.036 7.193 ( 1.772 -1.237 -1.249) 2.496 19.239 ( 0.594 -0.543 -0.251) 0.843 35.701 ( -4.245 11.862 0.391) 12.605 36.389 ( 3.559 -8.914 0.421) 9.608 51.088 ( -28.417 -28.900 17.623) 44.196======================= Grid point 699 (267/489) =======================q-point: (-0.24 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -7.689 -2.015 -5.152) 9.473 4.153 ( -15.217 7.687 0.298) 17.051 4.415 ( 3.922 9.799 2.199) 10.782 5.122 ( 2.912 1.607 -1.326) 3.581 5.809 ( -7.382 -8.286 2.013) 11.279 6.222 ( -0.427 -2.643 -0.528) 2.729 7.116 ( 0.849 2.731 -0.776) 2.963 7.275 ( 10.962 -0.061 -3.053) 11.380 19.245 ( 0.893 -0.352 -0.380) 1.033 35.694 ( -8.880 8.972 0.372) 12.629 36.380 ( 5.018 -8.053 0.365) 9.495 50.537 ( -17.112 -18.750 16.929) 30.512======================= Grid point 700 (268/489) =======================q-point: (-0.18 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( -12.330 3.372 -1.330) 12.852 3.927 ( -20.005 6.587 1.099) 21.090 4.599 ( 8.142 4.728 0.316) 9.421 5.065 ( -5.120 -6.388 -3.415) 8.870 5.609 ( -11.182 -2.942 5.864) 12.965 6.187 ( -1.128 -0.871 0.160) 1.434 7.126 ( -1.135 0.959 -0.141) 1.493 7.515 ( 16.539 2.746 -5.911) 17.776 19.259 ( 1.176 -0.026 -0.624) 1.332 35.590 ( -10.294 3.728 0.400) 10.956 36.398 ( 3.494 -3.919 0.274) 5.258 50.301 ( -3.181 -11.231 24.047) 26.730======================= Grid point 701 (269/489) =======================q-point: (-0.12 0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( -14.838 7.805 4.998) 17.494 3.612 ( -23.606 3.532 2.195) 23.970 4.725 ( 4.758 -12.069 -4.204) 13.637 4.883 ( -6.868 6.492 -2.255) 9.716 5.415 ( -12.613 -2.327 9.103) 15.728 6.177 ( -0.750 1.473 1.777) 2.427 7.099 ( -2.065 -0.667 -0.194) 2.179 7.807 ( 16.766 4.565 -9.072) 19.602 19.278 ( 1.256 0.283 -1.049) 1.661 35.437 ( -9.552 -0.277 0.431) 9.566 36.413 ( 0.218 -0.074 -0.013) 0.230 50.428 ( 13.108 -6.899 39.387) 42.080======================= Grid point 710 (270/489) =======================q-point: ( 0.41 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( -0.000 14.711 4.127) 15.279 2.828 ( 0.000 -3.481 31.756) 31.947 4.478 ( -0.000 19.003 -5.473) 19.775 4.574 ( -0.000 -0.952 -1.187) 1.521 5.747 ( -0.000 10.728 4.493) 11.631 6.502 ( 0.000 -15.406 -1.298) 15.461 6.953 ( -0.000 1.478 -0.147) 1.485 7.397 ( -0.000 0.506 -10.829) 10.841 19.225 ( -0.000 0.097 -0.532) 0.541 35.071 ( -0.000 2.699 0.297) 2.715 36.272 ( -0.000 14.895 -0.530) 14.905 55.913 ( 0.000 -104.664 80.994) 132.342======================= Grid point 711 (271/489) =======================q-point: ( 0.47 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( 14.322 13.305 3.495) 19.859 2.911 ( 0.964 -7.713 29.365) 30.377 4.561 ( -0.914 6.644 -4.512) 8.083 4.611 ( 0.396 8.079 -8.306) 11.593 5.853 ( -1.571 9.521 6.204) 11.472 6.356 ( -1.025 -9.937 -1.050) 10.045 6.978 ( 1.292 1.144 -0.707) 1.865 7.364 ( 0.221 -0.296 -7.884) 7.893 19.226 ( 0.066 0.317 -0.299) 0.441 35.129 ( 3.498 2.810 0.251) 4.494 36.402 ( -0.767 12.530 0.025) 12.554 55.105 ( -17.303 -90.605 63.429) 111.946======================= Grid point 712 (272/489) =======================q-point: ( 0.53 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.925 ( 13.064 0.155 10.937) 17.038 2.992 ( 12.795 1.592 15.397) 20.083 4.597 ( -3.375 12.052 -8.929) 15.375 4.609 ( 0.271 -1.078 -5.890) 5.994 5.943 ( -1.756 8.663 7.347) 11.494 6.273 ( -0.353 -4.447 -0.423) 4.481 7.005 ( 1.198 0.664 -1.602) 2.107 7.322 ( -0.487 -1.809 -5.777) 6.073 19.229 ( 0.046 0.265 -0.115) 0.293 35.247 ( 6.595 3.478 0.258) 7.460 36.482 ( -2.444 8.780 0.317) 9.119 54.135 ( -27.939 -74.223 45.624) 91.495======================= Grid point 713 (273/489) =======================q-point: ( 0.59 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.979 ( 4.241 -11.919 15.082) 19.685 3.531 ( 26.592 12.482 2.725) 29.502 4.520 ( -6.143 3.861 -8.777) 11.387 4.651 ( 0.509 6.016 -3.502) 6.979 6.016 ( -1.977 5.998 6.424) 9.009 6.242 ( 0.179 -1.897 -0.302) 1.930 7.016 ( 0.603 0.138 -2.222) 2.306 7.265 ( -1.221 -2.478 -3.668) 4.592 19.231 ( -0.017 0.027 -0.003) 0.032 35.418 ( 8.428 4.694 0.258) 9.650 36.490 ( -4.236 4.131 0.374) 5.928 53.124 ( -32.777 -57.940 29.417) 72.779======================= Grid point 714 (274/489) =======================q-point: ( 0.65 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 4.927 -10.388 7.230) 13.582 4.108 ( 24.140 13.239 2.276) 27.626 4.417 ( -5.645 2.246 -4.535) 7.581 4.701 ( -0.717 7.346 -3.472) 8.157 6.033 ( -2.847 0.565 4.193) 5.100 6.229 ( 0.229 -1.430 -0.411) 1.506 7.012 ( 0.243 -0.084 -2.201) 2.216 7.210 ( -1.248 -1.631 -1.629) 2.621 19.229 ( -0.015 -0.210 0.021) 0.211 35.619 ( 8.375 6.570 0.226) 10.647 36.424 ( -5.362 -1.088 0.292) 5.479 52.165 ( -32.670 -43.025 16.647) 56.530======================= Grid point 715 (275/489) =======================q-point: ( 0.71 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( 3.543 -6.018 1.174) 7.082 4.325 ( -3.242 -0.366 -1.082) 3.438 4.583 ( 4.374 20.076 3.214) 20.797 4.767 ( 9.660 1.030 -4.175) 10.574 5.961 ( -4.032 -5.339 1.649) 6.890 6.217 ( 0.168 -1.276 -0.252) 1.311 7.016 ( 1.379 0.750 -1.523) 2.187 7.181 ( -0.576 -0.480 -0.344) 0.825 19.228 ( 0.145 -0.275 -0.029) 0.312 35.820 ( 5.197 9.601 0.194) 10.920 36.299 ( -4.246 -6.986 0.182) 8.177 51.338 ( -28.203 -30.126 8.896) 42.215======================= Grid point 716 (276/489) =======================q-point: (-0.24 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( -0.449 0.147 -1.383) 1.461 4.274 ( -1.665 -1.600 0.639) 2.396 4.636 ( -10.145 10.757 1.043) 14.823 5.020 ( 11.162 2.685 -2.223) 11.694 5.835 ( -3.947 -5.725 1.030) 7.030 6.206 ( -0.086 -1.025 -0.144) 1.039 7.080 ( 5.038 2.906 -1.381) 5.977 7.174 ( 0.563 -0.765 0.105) 0.956 19.230 ( 0.464 -0.109 -0.132) 0.494 35.932 ( -6.863 10.515 0.228) 12.559 36.198 ( 5.290 -9.995 0.110) 11.309 50.715 ( -19.841 -19.659 7.319) 28.874======================= Grid point 717 (277/489) =======================q-point: (-0.18 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( -5.770 6.370 -0.013) 8.595 4.212 ( -7.088 -0.457 2.321) 7.472 4.541 ( -3.556 -3.518 -1.324) 5.174 5.097 ( -1.947 1.277 -3.129) 3.900 5.744 ( -4.748 -0.706 3.337) 5.846 6.199 ( -0.257 0.662 0.272) 0.760 7.145 ( -0.679 0.344 -0.520) 0.922 7.274 ( 12.141 2.825 -2.333) 12.682 19.241 ( 0.824 0.211 -0.290) 0.899 35.799 ( -11.549 -0.378 0.258) 11.558 36.282 ( 7.371 -0.255 0.176) 7.378 50.361 ( -8.100 -12.041 12.539) 19.178======================= Grid point 718 (278/489) =======================q-point: (-0.12 0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.935 ( -10.374 11.036 4.352) 15.759 3.988 ( -18.362 -2.941 3.154) 18.862 4.482 ( 6.499 -12.102 -3.535) 14.184 5.020 ( -5.711 2.213 -4.208) 7.431 5.653 ( -10.066 2.927 6.370) 12.266 6.215 ( -0.328 2.608 1.293) 2.929 7.117 ( -1.513 -1.514 -0.433) 2.184 7.540 ( 15.676 4.693 -5.665) 17.316 19.259 ( 1.036 0.526 -0.544) 1.283 35.588 ( -10.201 -4.279 0.314) 11.066 36.396 ( 3.581 3.479 0.230) 4.998 50.326 ( 6.419 -7.802 24.542) 26.540======================= Grid point 728 (279/489) =======================q-point: ( 0.47 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( -0.000 11.292 3.501) 11.822 2.930 ( 0.000 -11.857 27.801) 30.224 4.542 ( -0.000 -1.084 -1.412) 1.781 4.709 ( -0.000 13.387 -14.040) 19.399 5.980 ( 0.000 8.467 6.188) 10.487 6.283 ( 0.000 -5.333 -0.508) 5.358 6.977 ( -0.000 1.137 -0.231) 1.160 7.331 ( -0.000 -0.739 -5.852) 5.898 19.229 ( -0.000 0.490 -0.035) 0.491 35.121 ( -0.000 2.163 0.126) 2.167 36.531 ( -0.000 11.344 0.283) 11.348 54.635 ( 0.000 -81.956 48.139) 95.048======================= Grid point 729 (280/489) =======================q-point: ( 0.53 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( 13.831 8.692 3.159) 16.638 2.921 ( 1.438 -13.267 23.294) 26.846 4.541 ( 1.626 -1.420 -1.702) 2.749 4.741 ( -2.796 11.139 -12.795) 17.193 6.076 ( -1.094 7.603 6.042) 9.773 6.249 ( -0.325 -1.231 0.224) 1.293 6.992 ( 0.569 0.795 -0.589) 1.141 7.293 ( -0.421 -1.731 -4.514) 4.853 19.234 ( -0.083 0.453 0.159) 0.487 35.178 ( 4.244 2.044 0.076) 4.711 36.614 ( -2.207 8.674 0.331) 8.957 53.944 ( -13.283 -69.199 32.183) 77.464======================= Grid point 730 (281/489) =======================q-point: ( 0.59 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( 2.160 -12.932 16.048) 20.723 3.193 ( 24.348 7.056 3.534) 25.595 4.531 ( -0.197 -1.973 -3.207) 3.771 4.758 ( -2.284 11.322 -7.365) 13.698 6.133 ( -2.475 4.908 4.653) 7.202 6.240 ( -0.705 0.374 0.532) 0.959 7.003 ( 0.391 0.421 -1.049) 1.196 7.247 ( -0.801 -1.914 -3.055) 3.693 19.235 ( -0.244 0.253 0.264) 0.440 35.305 ( 8.079 2.226 0.039) 8.380 36.623 ( -4.980 5.223 0.221) 7.220 53.135 ( -21.940 -54.869 17.266) 61.563======================= Grid point 731 (282/489) =======================q-point: ( 0.65 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( 3.644 -10.774 10.670) 15.595 3.733 ( 29.265 6.015 1.565) 29.918 4.470 ( -3.083 -1.073 -3.623) 4.877 4.821 ( -1.446 11.126 -2.205) 11.434 6.115 ( -4.421 -0.067 2.381) 5.022 6.232 ( -1.020 0.368 0.613) 1.246 7.006 ( 0.034 0.541 -0.994) 1.133 7.208 ( -0.842 -0.891 -1.511) 1.946 19.233 ( -0.351 0.045 0.278) 0.451 35.490 ( 10.809 2.501 -0.026) 11.094 36.549 ( -7.702 1.679 0.052) 7.883 52.300 ( -25.963 -40.808 5.125) 48.637======================= Grid point 732 (283/489) =======================q-point: ( 0.71 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.882 ( 5.255 -6.214 5.542) 9.846 4.283 ( 28.756 2.960 -0.313) 28.910 4.386 ( -4.261 -0.073 -2.655) 5.021 4.886 ( -3.482 10.031 1.510) 10.725 6.007 ( -5.898 -4.270 0.113) 7.282 6.218 ( -0.942 -0.262 0.443) 1.074 7.013 ( 0.160 1.633 -0.217) 1.655 7.188 ( -0.756 0.172 -0.444) 0.893 19.228 ( -0.283 -0.009 0.223) 0.360 35.712 ( 12.176 2.458 -0.107) 12.422 36.400 ( -9.989 -1.122 -0.069) 10.052 51.523 ( -25.489 -28.234 -2.692) 38.133======================= Grid point 733 (284/489) =======================q-point: (-0.24 -0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.958 ( 5.473 -0.564 1.928) 5.830 4.305 ( -3.521 -0.506 -1.606) 3.903 4.680 ( 14.033 -5.615 -2.747) 15.362 4.934 ( 0.057 9.811 4.571) 10.824 5.864 ( -4.857 -3.699 -1.098) 6.203 6.203 ( -0.354 -0.338 0.043) 0.492 7.053 ( 1.682 3.637 0.751) 4.076 7.176 ( -0.860 0.180 -0.098) 0.884 19.227 ( -0.004 0.159 0.127) 0.203 35.937 ( 12.269 -0.457 -0.159) 12.278 36.200 ( -11.663 -0.301 -0.065) 11.667 50.882 ( -20.718 -17.956 -5.030) 27.874======================= Grid point 734 (285/489) =======================q-point: (-0.18 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( 3.314 5.499 0.521) 6.441 4.248 ( -1.688 -1.134 -0.314) 2.057 4.584 ( -7.671 -13.255 -0.415) 15.320 5.099 ( 3.947 3.148 0.564) 5.080 5.799 ( -0.779 1.414 -0.218) 1.629 6.207 ( 0.519 1.189 -0.026) 1.298 7.153 ( 2.204 -0.345 0.803) 2.371 7.164 ( 2.058 5.394 -0.411) 5.788 19.233 ( 0.392 0.481 0.005) 0.620 35.924 ( -6.615 -11.198 -0.040) 13.006 36.193 ( 5.283 9.286 -0.025) 10.684 50.445 ( -12.024 -10.566 -1.308) 16.060======================= Grid point 735 (286/489) =======================q-point: (-0.12 0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.171 ( -1.369 11.235 2.035) 11.500 4.189 ( -9.330 -6.994 1.869) 11.809 4.285 ( -1.546 -13.776 -2.063) 14.015 5.085 ( -4.025 -2.872 -2.030) 5.345 5.830 ( -2.024 6.122 2.376) 6.872 6.242 ( 0.886 2.847 0.480) 3.021 7.121 ( -1.338 -2.007 -0.255) 2.426 7.352 ( 9.905 6.849 -1.991) 12.206 19.249 ( 0.717 0.797 -0.164) 1.084 35.685 ( -8.622 -9.428 0.114) 12.776 36.371 ( 5.251 7.357 0.121) 9.040 50.271 ( -0.048 -6.570 8.341) 10.618======================= Grid point 746 (287/489) =======================q-point: ( 0.53 0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.702 ( -0.000 6.791 3.037) 7.440 2.864 ( 0.000 -15.285 21.489) 26.370 4.510 ( -0.000 -0.741 -1.559) 1.726 4.809 ( -0.000 9.064 -10.593) 13.941 6.178 ( 0.000 6.304 4.660) 7.839 6.256 ( 0.000 0.927 1.014) 1.373 6.994 ( -0.000 0.730 -0.304) 0.790 7.261 ( -0.000 -1.832 -3.652) 4.086 19.240 ( 0.000 0.458 0.374) 0.591 35.157 ( -0.000 1.374 -0.013) 1.374 36.713 ( -0.000 6.835 0.177) 6.837 53.526 ( 0.000 -59.670 17.690) 62.237======================= Grid point 747 (288/489) =======================q-point: ( 0.59 0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( 0.814 -11.962 15.131) 19.305 2.917 ( 14.664 1.919 5.436) 15.756 4.503 ( 0.417 -0.599 -1.897) 2.033 4.852 ( -0.639 9.228 -6.473) 11.290 6.227 ( -1.804 2.773 2.717) 4.281 6.267 ( -0.715 1.282 1.466) 2.075 7.000 ( 0.194 0.526 -0.433) 0.708 7.231 ( -0.383 -0.802 -2.351) 2.513 19.244 ( -0.231 0.319 0.507) 0.642 35.209 ( 4.708 1.032 -0.072) 4.820 36.742 ( -3.093 4.127 -0.069) 5.158 52.950 ( -10.533 -47.640 3.775) 48.936======================= Grid point 748 (289/489) =======================q-point: ( 0.65 0.53 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 2.059 -11.329 12.640) 17.098 3.305 ( 25.314 1.507 2.523) 25.484 4.487 ( -1.091 0.178 -2.533) 2.763 4.922 ( 0.078 9.467 -1.851) 9.646 6.185 ( -3.997 -2.643 0.334) 4.804 6.265 ( -1.458 0.529 1.550) 2.193 7.009 ( 0.299 0.849 -0.245) 0.933 7.216 ( -0.787 1.237 -0.750) 1.646 19.243 ( -0.465 0.169 0.552) 0.741 35.333 ( 8.851 0.668 -0.158) 8.877 36.687 ( -6.288 1.377 -0.298) 6.444 52.291 ( -17.568 -35.005 -7.914) 39.958======================= Grid point 749 (290/489) =======================q-point: (-0.29 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( 4.803 -7.750 8.143) 12.225 3.785 ( 29.251 -1.833 0.784) 29.319 4.452 ( -2.865 2.506 -2.626) 4.624 5.006 ( -0.586 7.065 2.150) 7.408 6.052 ( -5.260 -6.531 -2.058) 8.634 6.242 ( -1.784 -0.641 1.145) 2.215 7.030 ( 0.574 2.153 0.708) 2.337 7.218 ( -1.501 2.838 0.454) 3.243 19.238 ( -0.543 0.156 0.522) 0.769 35.512 ( 11.675 -0.239 -0.276) 11.681 36.559 ( -8.919 -0.458 -0.415) 8.940 51.623 ( -20.685 -23.297 -15.865) 34.962======================= Grid point 750 (291/489) =======================q-point: (-0.24 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.833 ( 7.772 -3.680 3.766) 9.388 4.188 ( 19.936 -8.491 -2.437) 21.806 4.453 ( 1.340 6.221 -0.577) 6.390 5.036 ( -2.534 1.090 5.075) 5.776 5.891 ( -4.060 -5.903 -3.902) 8.158 6.210 ( -1.042 -0.934 0.287) 1.429 7.079 ( 1.138 3.548 1.892) 4.179 7.221 ( -2.510 4.103 1.175) 4.951 19.234 ( -0.385 0.351 0.439) 0.682 35.704 ( 12.102 -3.093 -0.376) 12.497 36.390 ( -9.842 0.371 -0.376) 9.856 51.019 ( -19.656 -13.647 -18.895) 30.490======================= Grid point 751 (292/489) =======================q-point: (-0.18 -0.47 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.977 ( 9.905 0.384 0.179) 9.914 4.250 ( 1.957 -5.074 -3.477) 6.454 4.522 ( -1.294 -7.404 1.500) 7.665 5.047 ( 3.701 -1.346 4.650) 6.094 5.793 ( 0.130 -2.551 -4.112) 4.840 6.204 ( 0.789 0.622 -0.443) 1.099 7.134 ( 0.984 0.379 1.257) 1.641 7.242 ( -2.287 9.186 2.509) 9.794 19.237 ( -0.040 0.692 0.320) 0.763 35.803 ( 5.280 -10.153 -0.340) 11.450 36.285 ( -4.039 6.327 -0.249) 7.511 50.548 ( -14.511 -6.827 -16.358) 22.907======================= Grid point 764 (293/489) =======================q-point: ( 0.59 0.59 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( 0.000 -13.872 17.048) 21.979 2.807 ( 0.000 1.297 2.657) 2.957 4.490 ( -0.000 0.189 -1.603) 1.614 4.922 ( -0.000 9.389 -4.150) 10.265 6.255 ( 0.000 -2.211 0.593) 2.290 6.293 ( 0.000 0.882 1.866) 2.064 7.001 ( -0.000 0.277 -0.378) 0.469 7.232 ( -0.000 1.906 -0.656) 2.016 19.252 ( 0.000 0.252 0.700) 0.744 35.174 ( -0.000 0.413 -0.130) 0.433 36.798 ( -0.000 1.920 -0.393) 1.960 52.605 ( 0.000 -37.635 -9.510) 38.818======================= Grid point 765 (294/489) =======================q-point: (-0.35 -0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.671 ( 0.307 -11.887 13.264) 17.814 2.959 ( 15.608 -2.026 3.237) 16.068 4.490 ( 0.116 0.986 -1.804) 2.060 5.007 ( 0.017 10.115 -1.372) 10.208 6.182 ( -2.085 -8.242 -1.961) 8.725 6.296 ( -0.997 -0.444 2.052) 2.324 7.006 ( 0.583 0.325 -0.251) 0.713 7.262 ( -0.820 5.027 1.625) 5.346 19.255 ( -0.320 0.171 0.827) 0.903 35.216 ( 4.830 -0.119 -0.204) 4.836 36.774 ( -3.372 -0.466 -0.633) 3.463 52.148 ( -8.580 -26.511 -21.023) 34.906======================= Grid point 766 (295/489) =======================q-point: (-0.29 -0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 3.141 -9.947 9.051) 13.811 3.291 ( 24.937 -4.948 2.284) 25.526 4.498 ( -0.397 3.024 -2.160) 3.737 5.095 ( -0.949 7.952 1.663) 8.179 6.019 ( -3.065 -12.228 -4.574) 13.411 6.268 ( -1.820 -1.849 1.638) 3.068 7.030 ( 1.577 1.028 0.375) 1.919 7.309 ( -2.237 7.260 3.705) 8.452 19.252 ( -0.554 0.211 0.876) 1.058 35.328 ( 8.760 -1.003 -0.327) 8.823 36.674 ( -6.235 -2.163 -0.702) 6.637 51.632 ( -14.389 -15.879 -29.281) 36.285======================= Grid point 767 (296/489) =======================q-point: (-0.24 -0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( 7.039 -7.668 4.318) 11.269 3.679 ( 26.426 -9.160 0.454) 27.972 4.527 ( -0.413 6.739 -1.742) 6.973 5.111 ( -4.265 -0.050 4.867) 6.471 5.830 ( -1.472 -11.596 -7.243) 13.751 6.220 ( -1.624 -2.208 0.656) 2.818 7.079 ( 2.208 1.337 0.876) 2.726 7.360 ( -3.659 9.663 5.544) 11.726 19.249 ( -0.577 0.441 0.844) 1.113 35.477 ( 10.628 -2.959 -0.462) 11.042 36.528 ( -7.558 -2.103 -0.587) 7.867 51.117 ( -16.774 -7.092 -33.033) 37.720======================= Grid point 768 (297/489) =======================q-point: (-0.18 -0.41 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( 11.215 -5.385 -0.326) 12.445 3.949 ( 17.630 -13.698 -2.285) 22.443 4.594 ( -2.489 7.775 1.058) 8.232 5.007 ( -2.629 -7.997 5.526) 10.069 5.698 ( 1.510 -8.930 -7.714) 11.897 6.192 ( 0.285 -0.604 -0.590) 0.891 7.121 ( 1.244 -0.271 0.636) 1.423 7.432 ( -4.018 13.397 6.701) 15.509 19.250 ( -0.375 0.809 0.731) 1.153 35.596 ( 8.298 -7.028 -0.499) 10.886 36.402 ( -5.219 0.959 -0.376) 5.320 50.662 ( -15.303 -1.089 -31.479) 35.019======================= Grid point 782 (298/489) =======================q-point: (-0.35 -0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( 0.000 -12.668 13.152) 18.260 2.796 ( 0.000 -4.656 2.260) 5.175 4.492 ( -0.000 1.347 -1.535) 2.042 5.112 ( -0.000 11.924 -0.777) 11.950 6.075 ( 0.000 -14.301 -4.234) 14.915 6.303 ( 0.000 -1.855 2.174) 2.858 6.998 ( -0.000 -0.189 -0.460) 0.497 7.350 ( 0.000 8.135 4.814) 9.453 19.263 ( 0.000 0.149 1.076) 1.086 35.170 ( 0.000 -0.622 -0.243) 0.668 36.784 ( 0.000 -2.677 -0.819) 2.800 51.891 ( -0.000 -16.661 -32.731) 36.727======================= Grid point 783 (299/489) =======================q-point: (-0.29 -0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( 0.723 -12.216 9.014) 15.199 2.888 ( 15.633 -7.803 2.816) 17.697 4.510 ( 0.870 2.341 -1.637) 2.986 5.217 ( -1.658 11.155 0.427) 11.285 5.878 ( -1.039 -18.223 -6.741) 19.457 6.276 ( -1.142 -3.199 1.747) 3.819 7.006 ( 1.516 -0.084 -0.290) 1.546 7.454 ( -1.539 9.946 7.837) 12.756 19.267 ( -0.336 0.227 1.260) 1.324 35.200 ( 4.603 -1.284 -0.332) 4.790 36.718 ( -3.065 -4.409 -0.776) 5.426 51.552 ( -7.259 -7.007 -41.590) 42.796======================= Grid point 784 (300/489) =======================q-point: (-0.24 -0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.490 ( 4.578 -11.507 4.229) 13.086 3.154 ( 23.745 -10.826 2.111) 26.182 4.559 ( 2.094 4.477 -1.770) 5.250 5.237 ( -6.602 2.391 4.284) 8.225 5.657 ( 0.748 -16.236 -11.123) 19.695 6.223 ( -1.542 -3.444 0.799) 3.857 7.045 ( 2.777 0.158 -0.043) 2.782 7.560 ( -2.980 11.815 10.236) 15.914 19.268 ( -0.538 0.475 1.334) 1.515 35.289 ( 7.839 -2.557 -0.462) 8.259 36.598 ( -4.946 -4.872 -0.520) 6.962 51.165 ( -12.294 0.950 -46.252) 47.867======================= Grid point 785 (301/489) =======================q-point: (-0.18 -0.35 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( 9.407 -10.340 -0.582) 13.991 3.448 ( 23.251 -14.483 0.198) 27.393 4.663 ( 4.175 7.455 -0.997) 8.602 5.055 ( -10.613 -11.525 6.139) 16.827 5.514 ( 2.767 -10.476 -11.984) 16.157 6.179 ( -0.377 -1.708 -0.574) 1.841 7.089 ( 2.255 -0.632 -0.015) 2.342 7.677 ( -3.727 14.536 10.988) 18.599 19.271 ( -0.538 0.855 1.266) 1.620 35.392 ( 8.192 -5.044 -0.543) 9.635 36.471 ( -4.323 -3.256 -0.184) 5.416 50.773 ( -14.241 6.081 -45.653) 48.208======================= Grid point 800 (302/489) =======================q-point: (-0.29 -0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.443 ( 0.000 -14.233 8.436) 16.545 2.666 ( 0.000 -10.205 1.845) 10.371 4.514 ( -0.000 2.101 -1.397) 2.523 5.352 ( -0.000 11.725 -0.094) 11.725 5.651 ( 0.000 -22.026 -9.487) 23.982 6.256 ( 0.000 -4.283 1.425) 4.513 6.985 ( -0.000 -0.643 -0.556) 0.850 7.613 ( 0.000 11.064 11.688) 16.095 19.279 ( 0.000 0.312 1.610) 1.640 35.146 ( 0.000 -1.614 -0.368) 1.655 36.687 ( 0.000 -6.292 -0.552) 6.316 51.389 ( -0.000 1.912 -51.428) 51.463======================= Grid point 801 (303/489) =======================q-point: (-0.24 -0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.329 ( 1.134 -14.771 4.259) 15.415 2.706 ( 15.548 -12.914 2.426) 20.357 4.547 ( 1.978 2.622 -1.479) 3.602 5.331 ( -3.244 -22.402 4.846) 23.149 5.465 ( -0.770 6.232 -16.559) 17.710 6.209 ( -0.839 -4.132 0.569) 4.254 6.996 ( 2.230 -0.655 -0.544) 2.387 7.770 ( -1.496 12.123 14.553) 19.000 19.287 ( -0.312 0.539 1.841) 1.944 35.161 ( 4.072 -2.317 -0.454) 4.707 36.598 ( -2.281 -7.162 -0.076) 7.517 51.155 ( -6.527 9.285 -57.358) 58.470======================= Grid point 802 (304/489) =======================q-point: (-0.18 -0.29 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 5.941 -14.463 -0.378) 15.640 2.911 ( 22.339 -15.485 1.769) 27.239 4.620 ( 4.457 2.026 -1.987) 5.283 5.042 ( -2.399 -25.396 1.581) 25.558 5.413 ( -4.833 2.825 -12.092) 13.325 6.165 ( -0.491 -1.894 -0.883) 2.146 7.034 ( 3.006 -0.977 -0.557) 3.210 7.927 ( -2.501 13.922 15.144) 20.723 19.295 ( -0.501 0.897 1.873) 2.136 35.222 ( 6.323 -3.756 -0.533) 7.374 36.484 ( -2.810 -6.446 0.460) 7.047 50.868 ( -11.219 13.731 -57.931) 60.584======================= Grid point 818 (305/489) =======================q-point: (-0.24 -0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( 0.000 -17.261 4.066) 17.734 2.434 ( 0.000 -14.776 1.546) 14.857 4.546 ( -0.000 2.187 -1.250) 2.518 5.042 ( 0.000 -31.298 -6.327) 31.931 5.548 ( -0.000 9.410 -9.240) 13.188 6.179 ( 0.000 -3.219 -0.271) 3.231 6.963 ( -0.000 -1.064 -0.675) 1.260 7.970 ( 0.000 12.175 17.771) 21.542 19.305 ( 0.000 0.713 2.247) 2.358 35.102 ( 0.000 -2.432 -0.489) 2.481 36.540 ( 0.000 -8.481 0.695) 8.509 51.075 ( -0.000 16.338 -64.931) 66.955======================= Grid point 819 (306/489) =======================q-point: (-0.18 -0.24 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 1.544 -17.820 0.584) 17.896 2.431 ( 15.401 -16.927 2.096) 22.981 4.557 ( 0.057 -5.022 -3.367) 6.046 4.737 ( 4.474 -25.930 -4.245) 26.654 5.518 ( -6.069 2.816 -9.379) 11.521 6.154 ( -0.269 -0.190 -1.996) 2.023 6.971 ( 2.403 -1.251 -0.783) 2.820 8.161 ( -1.141 12.828 18.485) 22.529 19.321 ( -0.300 1.009 2.415) 2.635 35.104 ( 3.340 -3.066 -0.539) 4.566 36.448 ( -1.214 -8.445 1.532) 8.668 50.919 ( -6.291 20.461 -67.100) 70.432======================= Grid point 836 (307/489) =======================q-point: (-0.18 -0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 0.000 -20.181 1.405) 20.230 2.121 ( 0.000 -18.237 1.541) 18.302 4.315 ( 0.000 -36.203 -8.153) 37.109 4.576 ( -0.000 1.809 -1.112) 2.123 5.537 ( -0.000 -2.559 -9.026) 9.382 6.158 ( -0.000 2.986 -4.076) 5.053 6.933 ( -0.000 -1.411 -0.809) 1.626 8.375 ( 0.000 12.083 19.678) 23.092 19.345 ( 0.000 1.222 2.703) 2.967 35.044 ( 0.000 -2.947 -0.570) 3.001 36.379 ( 0.000 -9.072 2.738) 9.476 50.900 ( -0.000 24.529 -71.042) 75.157======================= Grid point 927 (308/489) =======================q-point: ( 0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( 0.000 -0.000 13.806) 13.806 0.589 ( 0.000 -0.000 13.806) 13.806 2.567 ( 0.000 -0.000 64.605) 64.605 4.618 ( -0.000 0.000 -0.447) 0.447 4.618 ( -0.000 0.000 -0.447) 0.447 6.801 ( -0.000 0.000 -0.215) 0.215 6.801 ( -0.000 0.000 -0.215) 0.215 8.984 ( -0.000 0.000 -16.509) 16.509 19.494 ( 0.000 -0.000 0.010) 0.010 34.841 ( 0.000 -0.000 0.546) 0.546 34.841 ( 0.000 -0.000 0.546) 0.546 68.194 ( -0.000 0.000 -1.495) 1.495======================= Grid point 928 (309/489) =======================q-point: ( 0.24 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( 13.499 7.794 10.956) 19.052 0.932 ( 22.676 13.092 10.398) 28.173 2.860 ( 2.147 1.240 60.597) 60.648 4.607 ( -0.575 -0.332 -0.640) 0.923 4.686 ( 5.444 3.143 0.179) 6.288 6.793 ( 0.064 0.037 -0.329) 0.338 6.831 ( 1.323 0.764 1.671) 2.264 8.810 ( -7.614 -4.396 -18.350) 20.347 19.445 ( -3.773 -2.178 0.168) 4.359 34.848 ( 0.672 0.388 0.511) 0.929 35.000 ( 12.520 7.228 -2.656) 14.699 65.792 (-182.681 -105.471 90.383) 229.490======================= Grid point 929 (310/489) =======================q-point: ( 0.29 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( 16.720 9.654 8.208) 20.980 1.537 ( 25.224 14.563 10.983) 31.128 3.190 ( 6.336 3.658 50.548) 51.075 4.586 ( -1.044 -0.603 -0.880) 1.493 4.851 ( 8.359 4.826 1.740) 9.808 6.802 ( 0.780 0.450 -0.260) 0.937 6.849 ( -1.662 -0.960 5.659) 5.976 8.534 ( -8.159 -4.711 -22.659) 24.539 19.356 ( -3.525 -2.035 -0.278) 4.079 34.875 ( 1.563 0.903 0.520) 1.879 35.322 ( 16.471 9.510 -5.370) 19.763 62.061 (-180.884 -104.433 154.011) 259.508======================= Grid point 930 (311/489) =======================q-point: ( 0.35 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 17.156 9.905 6.182) 20.752 2.135 ( 22.444 12.958 14.893) 29.890 3.587 ( 12.244 7.069 36.253) 38.913 4.552 ( -1.547 -0.893 -1.028) 2.061 5.060 ( 8.756 5.055 3.199) 10.604 6.788 ( -6.530 -3.770 8.594) 11.433 6.826 ( 1.352 0.781 -0.067) 1.563 8.272 ( -5.222 -3.015 -27.143) 27.804 19.294 ( -1.699 -0.981 -0.996) 2.200 34.922 ( 2.254 1.302 0.552) 2.661 35.674 ( 16.241 9.377 -4.927) 19.390 59.048 (-143.991 -83.133 150.992) 224.595======================= Grid point 931 (312/489) =======================q-point: ( 0.41 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( 16.169 9.335 4.350) 19.171 2.675 ( 18.964 10.949 18.327) 28.555 4.037 ( 15.892 9.175 21.065) 27.937 4.508 ( -1.952 -1.127 -0.925) 2.436 5.258 ( 7.141 4.123 4.322) 9.310 6.639 ( -8.994 -5.193 7.722) 12.942 6.860 ( 1.634 0.944 0.150) 1.893 8.067 ( -2.797 -1.615 -27.583) 27.771 19.269 ( -0.197 -0.114 -1.315) 1.335 34.980 ( 2.619 1.512 0.569) 3.078 36.006 ( 14.436 8.334 -3.075) 16.950 56.741 (-113.726 -65.660 125.556) 181.684======================= Grid point 932 (313/489) =======================q-point: ( 0.47 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( 14.088 8.133 2.484) 16.455 3.153 ( 16.255 9.385 18.714) 26.505 4.427 ( 11.434 6.601 6.383) 14.665 4.458 ( -2.153 -1.243 -0.478) 2.532 5.431 ( 7.010 4.047 6.462) 10.358 6.484 ( -6.254 -3.611 4.841) 8.694 6.898 ( 1.588 0.917 0.317) 1.860 7.897 ( -2.677 -1.545 -24.397) 24.592 19.268 ( 0.518 0.299 -1.222) 1.361 35.042 ( 2.582 1.491 0.540) 3.030 36.295 ( 11.801 6.813 -1.199) 13.680 54.907 ( -91.165 -52.634 96.673) 142.923======================= Grid point 933 (314/489) =======================q-point: ( 0.53 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( 10.904 6.295 0.548) 12.603 3.570 ( 13.947 8.052 15.686) 22.481 4.409 ( -1.991 -1.150 0.310) 2.320 4.532 ( -2.463 -1.422 -5.180) 5.909 5.684 ( 12.684 7.323 8.346) 16.858 6.414 ( -1.622 -0.936 2.779) 3.351 6.933 ( 1.277 0.737 0.411) 1.530 7.730 ( -3.672 -2.120 -20.219) 20.659 19.277 ( 0.648 0.374 -0.961) 1.218 35.098 ( 2.138 1.235 0.458) 2.511 36.525 ( 8.553 4.938 0.125) 9.877 53.410 ( -72.935 -42.109 70.345) 109.731======================= Grid point 934 (315/489) =======================q-point: ( 0.59 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.907 ( 6.455 3.727 -1.351) 7.575 3.880 ( 6.747 3.896 4.392) 8.944 4.366 ( -6.187 -3.572 -2.897) 7.709 4.375 ( -1.192 -0.688 1.309) 1.899 6.017 ( 12.078 6.973 5.956) 15.165 6.413 ( 0.199 0.115 1.652) 1.667 6.958 ( 0.813 0.469 0.454) 1.043 7.571 ( -2.704 -1.561 -16.293) 16.589 19.287 ( 0.537 0.310 -0.739) 0.965 35.140 ( 1.363 0.787 0.351) 1.613 36.680 ( 4.925 2.843 0.812) 5.745 52.197 ( -56.705 -32.739 48.814) 81.671======================= Grid point 935 (316/489) =======================q-point: ( 0.65 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.982 ( 0.867 0.501 -2.891) 3.060 3.738 ( -13.621 -7.864 -16.346) 22.685 4.372 ( 0.292 0.169 2.183) 2.209 4.453 ( 9.268 5.351 12.917) 16.774 6.195 ( 0.623 0.359 2.058) 2.180 6.416 ( -0.817 -0.472 0.523) 1.079 6.973 ( 0.300 0.173 0.486) 0.596 7.519 ( 4.640 2.679 -12.474) 13.576 19.295 ( 0.457 0.264 -0.650) 0.837 35.161 ( 0.392 0.226 0.265) 0.524 36.754 ( 1.271 0.734 0.998) 1.775 51.262 ( -41.222 -23.800 33.483) 58.196======================= Grid point 936 (317/489) =======================q-point: (-0.29 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( -4.883 -2.819 -3.656) 6.721 3.291 ( -18.022 -10.405 -18.385) 27.768 4.406 ( 1.742 1.006 2.531) 3.233 4.747 ( 10.576 6.106 13.991) 18.571 6.047 ( -12.985 -7.497 -1.184) 15.041 6.374 ( -2.755 -1.590 -0.518) 3.223 6.976 ( -0.192 -0.111 0.539) 0.582 7.677 ( 12.498 7.216 -10.469) 17.829 19.304 ( 0.545 0.315 -0.717) 0.954 35.160 ( -0.616 -0.356 0.243) 0.752 36.748 ( -2.011 -1.161 0.859) 2.476 50.625 ( -25.958 -14.987 25.732) 39.504======================= Grid point 937 (318/489) =======================q-point: (-0.24 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.738 ( -9.707 -5.605 -3.570) 11.764 2.790 ( -19.278 -11.130 -16.586) 27.760 4.465 ( 2.373 1.370 2.313) 3.585 5.018 ( 6.058 3.498 16.748) 18.150 5.663 ( -17.942 -10.359 -3.583) 21.026 6.289 ( -4.361 -2.518 -0.933) 5.122 6.969 ( -0.622 -0.359 0.625) 0.952 7.940 ( 14.076 8.127 -11.932) 20.163 19.315 ( 0.784 0.453 -0.990) 1.342 35.137 ( -1.509 -0.871 0.302) 1.768 36.675 ( -4.614 -2.664 0.436) 5.346 50.319 ( -10.836 -6.256 27.300) 30.031======================= Grid point 938 (319/489) =======================q-point: (-0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( -19.228 -11.101 -11.397) 24.957 2.462 ( -13.301 -7.680 -2.816) 15.615 4.527 ( 2.185 1.261 1.768) 3.081 4.921 ( -23.304 -13.454 11.656) 29.325 5.459 ( 2.805 1.620 4.614) 5.638 6.183 ( -4.009 -2.314 -0.791) 4.696 6.954 ( -0.969 -0.559 0.730) 1.336 8.187 ( 12.655 7.307 -15.411) 21.238 19.330 ( 1.021 0.589 -1.606) 1.992 35.096 ( -2.175 -1.256 0.427) 2.548 36.548 ( -6.460 -3.730 -0.537) 7.479 50.385 ( 4.337 2.504 40.860) 41.166======================= Grid point 945 (320/489) =======================q-point: ( 0.24 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( 0.000 10.998 10.947) 15.517 1.055 ( -0.000 26.775 10.878) 28.900 3.114 ( 0.000 0.566 59.671) 59.674 4.618 ( -0.000 0.110 -0.467) 0.479 4.685 ( -0.000 7.467 -0.091) 7.468 6.819 ( -0.000 2.594 0.520) 2.646 6.821 ( -0.000 1.389 -0.121) 1.394 8.710 ( -0.000 -11.566 -19.397) 22.584 19.445 ( 0.000 -4.475 0.232) 4.481 34.863 ( -0.000 1.393 0.638) 1.532 34.977 ( -0.000 12.827 -1.954) 12.975 66.135 ( 0.000 -184.555 70.651) 197.616======================= Grid point 946 (321/489) =======================q-point: ( 0.29 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 15.146 12.824 8.432) 21.563 1.463 ( 10.816 25.933 10.987) 30.170 3.375 ( 1.714 1.213 52.553) 52.595 4.611 ( -0.933 0.926 -0.825) 1.552 4.811 ( 4.193 9.102 1.574) 10.144 6.817 ( -0.965 2.220 -0.222) 2.431 6.873 ( 0.863 1.695 2.501) 3.142 8.454 ( -4.072 -13.458 -21.836) 25.971 19.377 ( -2.260 -4.254 0.200) 4.821 34.881 ( 0.146 2.192 0.606) 2.279 35.194 ( 9.458 14.440 -3.627) 17.638 63.722 ( -99.879 -172.418 116.376) 230.753======================= Grid point 947 (322/489) =======================q-point: ( 0.35 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( 15.336 15.383 6.408) 22.647 1.986 ( 17.718 19.211 13.087) 29.228 3.656 ( 5.566 3.286 40.570) 41.082 4.598 ( -2.062 2.394 -1.079) 3.339 5.001 ( 6.396 8.002 3.939) 10.975 6.827 ( -0.461 1.402 0.451) 1.543 6.878 ( -3.011 -0.767 5.255) 6.105 8.162 ( -3.171 -10.852 -26.168) 28.506 19.306 ( -1.864 -2.582 -0.239) 3.193 34.919 ( 1.014 2.897 0.623) 3.132 35.511 ( 12.999 13.311 -4.062) 19.044 60.863 (-116.399 -133.509 132.962) 221.478======================= Grid point 948 (323/489) =======================q-point: ( 0.41 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( 12.798 17.054 4.894) 21.876 2.527 ( 19.543 12.951 16.063) 28.419 3.971 ( 10.188 3.938 25.346) 27.599 4.582 ( -3.174 4.638 -0.524) 5.644 5.202 ( 6.619 5.656 5.732) 10.424 6.754 ( -7.331 -6.197 6.296) 11.480 6.868 ( -0.198 2.888 0.416) 2.924 7.932 ( -0.158 -6.449 -27.967) 28.702 19.266 ( -0.575 -1.041 -0.700) 1.380 34.975 ( 1.450 3.615 0.650) 3.949 35.844 ( 13.571 10.966 -3.026) 17.709 58.360 (-106.677 -101.435 121.208) 190.684======================= Grid point 949 (324/489) =======================q-point: ( 0.47 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( 10.215 17.123 3.349) 20.218 3.027 ( 17.915 8.752 17.903) 26.797 4.250 ( 10.336 -0.796 8.138) 13.179 4.592 ( -2.976 8.464 1.149) 9.045 5.383 ( 6.182 3.899 7.649) 10.579 6.574 ( -7.609 -6.473 4.052) 10.781 6.901 ( 0.446 2.760 0.208) 2.803 7.779 ( 0.741 -3.988 -24.933) 25.261 19.256 ( 0.398 -0.196 -0.889) 0.994 35.041 ( 1.361 4.245 0.637) 4.503 36.151 ( 12.530 8.111 -1.505) 15.002 56.264 ( -92.289 -78.476 98.507) 156.139======================= Grid point 950 (325/489) =======================q-point: ( 0.53 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( 7.140 16.490 1.466) 18.029 3.451 ( 15.044 4.707 16.795) 23.034 4.352 ( 4.111 -3.696 -1.420) 5.708 4.617 ( -4.641 5.779 -2.934) 7.972 5.591 ( 9.671 5.513 9.736) 14.789 6.444 ( -3.113 -3.347 1.928) 4.961 6.935 ( 0.461 2.334 0.244) 2.392 7.648 ( -0.589 -3.828 -20.292) 20.659 19.263 ( 0.797 0.040 -0.847) 1.163 35.107 ( 0.776 4.659 0.565) 4.757 36.409 ( 10.436 5.034 -0.206) 11.589 54.508 ( -77.704 -61.319 74.420) 123.839======================= Grid point 951 (326/489) =======================q-point: ( 0.59 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( 2.813 15.403 -0.659) 15.672 3.744 ( 10.384 -3.380 8.798) 14.023 4.359 ( 1.084 -1.055 -1.591) 2.195 4.509 ( -8.555 3.523 -4.294) 10.200 5.892 ( 12.921 6.270 7.917) 16.400 6.410 ( 0.242 -1.180 0.960) 1.540 6.963 ( 0.259 1.827 0.258) 1.863 7.510 ( -1.587 -4.004 -16.066) 16.633 19.273 ( 0.816 -0.043 -0.732) 1.097 35.161 ( -0.190 4.770 0.453) 4.795 36.598 ( 7.605 1.968 0.608) 7.879 53.052 ( -63.175 -47.416 53.431) 95.363======================= Grid point 952 (327/489) =======================q-point: ( 0.65 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.056 ( -2.930 12.904 -2.607) 13.487 3.724 ( -3.577 -12.188 -10.419) 16.429 4.349 ( -0.109 -1.627 3.489) 3.851 4.518 ( 1.505 11.255 5.298) 12.530 6.148 ( 7.192 1.709 3.983) 8.397 6.411 ( 0.416 -1.287 0.060) 1.354 6.982 ( -0.050 1.452 0.287) 1.481 7.411 ( 2.025 -1.780 -12.388) 12.678 19.283 ( 0.733 -0.182 -0.675) 1.013 35.195 ( -1.354 4.544 0.345) 4.754 36.709 ( 4.369 -0.816 0.959) 4.547 51.893 ( -48.280 -35.313 37.987) 70.859======================= Grid point 953 (328/489) =======================q-point: (-0.29 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.042 ( -8.772 6.670 -4.316) 11.835 3.393 ( -13.496 -8.701 -16.724) 23.185 4.378 ( 2.790 -0.883 3.974) 4.935 4.743 ( 6.512 10.996 10.441) 16.503 6.143 ( -6.558 -6.653 0.480) 9.354 6.384 ( -1.162 -2.437 -0.996) 2.878 6.992 ( -0.515 1.397 0.406) 1.544 7.480 ( 10.862 3.045 -9.942) 15.036 19.290 ( 0.739 -0.215 -0.743) 1.069 35.206 ( -2.509 4.006 0.289) 4.736 36.740 ( 1.098 -3.046 0.973) 3.381 51.055 ( -32.688 -24.263 29.823) 50.464======================= Grid point 954 (329/489) =======================q-point: (-0.24 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( -13.382 -7.850 -9.844) 18.374 3.036 ( -17.697 4.364 -10.138) 20.857 4.448 ( 2.935 1.479 3.093) 4.513 5.015 ( 8.098 8.070 12.954) 17.277 5.835 ( -16.638 -12.549 -1.672) 20.907 6.317 ( -2.842 -3.317 -1.119) 4.509 6.995 ( -1.150 1.521 0.550) 1.984 7.708 ( 14.854 5.200 -10.897) 19.142 19.298 ( 0.878 -0.099 -0.987) 1.324 35.192 ( -3.465 3.228 0.314) 4.746 36.698 ( -1.884 -4.530 0.714) 4.958 50.576 ( -16.278 -13.973 30.545) 37.326======================= Grid point 955 (330/489) =======================q-point: (-0.18 0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( -16.175 -10.490 -9.402) 21.450 2.750 ( -20.124 6.615 -4.486) 21.653 4.523 ( 1.750 2.877 2.275) 4.064 5.210 ( -9.511 -2.147 17.348) 19.900 5.419 ( -5.068 -8.828 -3.710) 10.834 6.219 ( -3.804 -3.393 -0.925) 5.181 6.988 ( -1.788 1.599 0.684) 2.494 7.957 ( 14.139 5.392 -14.215) 20.762 19.309 ( 1.036 0.095 -1.508) 1.832 35.156 ( -4.091 2.310 0.411) 4.716 36.597 ( -4.431 -5.225 0.027) 6.851 50.507 ( 1.153 -4.367 42.069) 42.311======================= Grid point 963 (331/489) =======================q-point: ( 0.29 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( -0.000 16.192 8.127) 18.117 1.705 ( -0.000 28.306 12.188) 30.818 3.585 ( 0.000 0.369 47.764) 47.765 4.614 ( -0.000 -0.092 -0.638) 0.644 4.902 ( -0.000 13.304 2.123) 13.473 6.851 ( -0.000 1.790 -0.154) 1.797 6.898 ( -0.000 3.854 1.670) 4.201 8.235 ( -0.000 -17.904 -22.119) 28.457 19.351 ( 0.000 -4.785 0.254) 4.792 34.905 ( -0.000 2.229 0.598) 2.308 35.261 ( -0.000 17.711 -3.308) 18.017 63.200 ( 0.000 -187.196 112.203) 218.247======================= Grid point 964 (332/489) =======================q-point: ( 0.35 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 13.615 16.668 6.607) 22.513 2.074 ( 5.386 24.571 14.353) 28.961 3.791 ( 1.627 1.645 37.926) 37.997 4.619 ( 0.753 0.595 -1.001) 1.386 5.060 ( 1.273 13.090 4.456) 13.886 6.859 ( -0.952 1.823 0.065) 2.058 6.933 ( -1.165 1.296 3.252) 3.689 7.949 ( -0.742 -16.481 -24.605) 29.623 19.299 ( -0.940 -3.508 0.077) 3.632 34.937 ( 0.744 2.930 0.579) 3.078 35.480 ( 6.251 17.234 -3.208) 18.612 61.410 ( -56.962 -162.530 116.846) 208.119======================= Grid point 965 (333/489) =======================q-point: ( 0.41 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 16.260 18.321 5.062) 25.013 2.478 ( 10.106 17.229 16.997) 26.228 3.994 ( 3.759 2.726 24.495) 24.931 4.642 ( 0.719 2.650 -1.159) 2.980 5.230 ( 2.088 10.292 7.246) 12.759 6.822 ( -4.874 -4.823 3.444) 7.673 6.916 ( -1.684 1.827 1.063) 2.703 7.716 ( 2.057 -9.876 -26.165) 28.042 19.259 ( -0.542 -1.803 -0.242) 1.898 34.994 ( 1.520 4.037 0.624) 4.358 35.759 ( 9.154 14.512 -2.533) 17.344 59.292 ( -76.765 -130.290 109.920) 186.951======================= Grid point 966 (334/489) =======================q-point: ( 0.47 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 11.796 20.946 4.210) 24.405 2.899 ( 14.901 9.426 18.417) 25.496 4.160 ( 4.478 1.013 9.282) 10.355 4.686 ( 0.428 4.807 -0.999) 4.928 5.393 ( 2.749 7.357 9.719) 12.496 6.642 ( -7.537 -9.064 2.063) 11.967 6.932 ( -0.256 3.279 -0.349) 3.307 7.594 ( 3.349 -4.743 -22.542) 23.277 19.244 ( 0.201 -0.637 -0.494) 0.830 35.070 ( 1.621 5.345 0.665) 5.624 36.039 ( 10.021 10.657 -1.449) 14.700 57.255 ( -78.674 -102.657 92.899) 159.243======================= Grid point 967 (335/489) =======================q-point: ( 0.53 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.772 ( 6.586 21.973 3.662) 23.229 3.305 ( 15.263 3.470 17.437) 23.432 4.242 ( 3.924 -0.960 -2.276) 4.636 4.713 ( -2.025 3.355 -3.560) 5.295 5.567 ( 5.013 6.620 11.437) 14.134 6.464 ( -4.072 -6.098 -0.035) 7.333 6.959 ( -0.031 2.975 -0.487) 3.015 7.515 ( 1.743 -3.872 -17.559) 18.066 19.246 ( 0.683 -0.187 -0.588) 0.920 35.155 ( 0.937 6.631 0.648) 6.728 36.287 ( 9.588 6.309 -0.397) 11.485 55.419 ( -72.914 -80.558 72.205) 130.459======================= Grid point 968 (336/489) =======================q-point: ( 0.59 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.077 ( 2.348 22.235 1.950) 22.444 3.579 ( 8.833 -4.874 11.021) 14.941 4.292 ( 4.823 0.991 -4.758) 6.847 4.645 ( -5.667 2.124 -5.228) 7.998 5.799 ( 9.002 6.263 9.994) 14.837 6.389 ( -0.008 -2.808 -0.533) 2.858 6.983 ( -0.042 2.353 -0.574) 2.422 7.419 ( -0.365 -4.423 -13.284) 14.006 19.255 ( 0.826 -0.218 -0.580) 1.033 35.233 ( -0.399 7.630 0.565) 7.661 36.480 ( 8.239 1.977 0.352) 8.480 53.825 ( -63.356 -62.518 52.768) 103.474======================= Grid point 969 (337/489) =======================q-point: ( 0.65 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( -4.210 22.369 -1.404) 22.805 3.580 ( 1.146 -13.218 -2.715) 13.543 4.353 ( 0.551 -0.411 0.704) 0.984 4.617 ( 0.597 9.191 -0.671) 9.235 6.044 ( 9.065 2.644 6.034) 11.206 6.378 ( 1.177 -2.183 -0.983) 2.668 6.999 ( -0.019 1.838 -0.635) 1.944 7.318 ( -0.069 -3.800 -9.622) 10.345 19.263 ( 0.805 -0.414 -0.570) 1.069 35.292 ( -2.109 8.100 0.456) 8.382 36.606 ( 6.234 -1.837 0.750) 6.542 52.503 ( -51.293 -47.220 37.772) 79.293======================= Grid point 970 (338/489) =======================q-point: (-0.29 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.254 ( -11.612 -0.770 -9.706) 15.154 3.474 ( -6.004 8.401 -6.037) 11.961 4.348 ( 1.095 -1.620 4.047) 4.495 4.798 ( 5.014 11.713 4.585) 13.541 6.145 ( 0.111 -4.824 2.210) 5.307 6.359 ( 0.182 -3.096 -1.726) 3.549 7.016 ( 0.035 2.022 -0.356) 2.053 7.305 ( 6.309 -0.432 -7.175) 9.564 19.270 ( 0.806 -0.532 -0.634) 1.155 35.322 ( -3.845 7.884 0.376) 8.779 36.662 ( 3.819 -4.678 0.874) 6.102 51.494 ( -37.127 -33.829 29.331) 58.165======================= Grid point 971 (339/489) =======================q-point: (-0.24 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.931 ( -13.474 -7.948 -12.147) 19.806 3.389 ( -16.067 15.447 -5.222) 22.891 4.414 ( 4.422 0.971 4.357) 6.284 5.020 ( 6.111 8.901 6.680) 12.696 5.958 ( -11.922 -11.700 0.332) 16.707 6.312 ( -1.217 -3.606 -1.425) 4.064 7.034 ( -0.648 2.492 0.129) 2.578 7.460 ( 13.391 2.503 -7.919) 15.757 19.276 ( 0.910 -0.464 -0.822) 1.311 35.318 ( -5.275 6.955 0.367) 8.737 36.654 ( 1.216 -6.250 0.794) 6.416 50.847 ( -21.022 -21.948 29.000) 42.007======================= Grid point 972 (340/489) =======================q-point: (-0.18 0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( -15.168 -5.834 -8.184) 18.195 3.191 ( -21.434 13.747 -3.668) 25.727 4.529 ( 3.563 4.247 2.950) 6.279 5.228 ( 8.043 2.234 6.098) 10.338 5.562 ( -19.766 -13.050 2.840) 23.855 6.235 ( -2.657 -3.730 -0.989) 4.685 7.041 ( -1.541 2.583 0.418) 3.037 7.699 ( 14.956 3.693 -11.070) 18.970 19.285 ( 1.043 -0.242 -1.207) 1.613 35.283 ( -6.163 5.440 0.431) 8.232 36.592 ( -1.439 -6.503 0.441) 6.675 50.617 ( -3.003 -11.548 38.098) 39.923======================= Grid point 981 (341/489) =======================q-point: ( 0.35 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( -0.000 17.214 6.441) 18.380 2.343 ( 0.000 23.385 16.996) 28.909 3.945 ( 0.000 2.500 30.370) 30.473 4.603 ( -0.000 -0.351 -0.929) 0.993 5.214 ( -0.000 14.522 5.239) 15.438 6.886 ( -0.000 1.903 -0.258) 1.920 6.966 ( 0.000 -0.413 2.894) 2.923 7.680 ( -0.000 -16.433 -24.082) 29.154 19.274 ( 0.000 -3.074 0.123) 3.077 34.959 ( -0.000 2.738 0.453) 2.775 35.597 ( -0.000 18.813 -2.502) 18.978 60.741 ( 0.000 -161.098 107.630) 193.744======================= Grid point 982 (342/489) =======================q-point: ( 0.41 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 13.381 17.025 5.402) 22.318 2.646 ( 1.897 17.957 20.203) 27.097 4.090 ( 0.425 4.154 19.128) 19.579 4.616 ( 2.268 0.034 -1.231) 2.581 5.372 ( -0.563 13.055 7.097) 14.870 6.862 ( -4.319 -5.121 1.156) 6.798 6.943 ( -0.039 -1.408 0.038) 1.409 7.473 ( 2.669 -8.059 -22.248) 23.813 19.247 ( -0.209 -1.854 0.012) 1.865 35.003 ( 1.669 3.264 0.427) 3.691 35.801 ( 3.504 17.441 -1.794) 17.879 59.348 ( -36.234 -141.932 97.611) 176.027======================= Grid point 983 (343/489) =======================q-point: ( 0.47 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( 18.810 17.939 4.134) 26.319 2.926 ( 4.091 10.407 22.480) 25.107 4.189 ( -0.401 4.253 6.222) 7.548 4.666 ( 3.548 0.789 -1.898) 4.101 5.512 ( -0.683 10.691 9.468) 14.297 6.660 ( -6.415 -12.153 -1.727) 13.850 6.956 ( 0.524 2.145 -1.327) 2.576 7.408 ( 3.783 -2.036 -16.579) 17.127 19.233 ( 0.091 -0.752 -0.147) 0.771 35.083 ( 2.953 4.442 0.488) 5.356 36.025 ( 5.052 13.964 -1.021) 14.885 57.675 ( -53.656 -118.101 82.796) 153.890======================= Grid point 984 (344/489) =======================q-point: ( 0.53 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( 15.207 20.895 3.705) 26.107 3.187 ( 8.835 1.598 21.701) 23.485 4.213 ( -1.191 3.474 -4.630) 5.910 4.711 ( 1.924 -0.145 -3.702) 4.175 5.649 ( 0.557 9.009 11.118) 14.320 6.454 ( -3.743 -8.566 -2.970) 9.809 6.980 ( 0.373 2.327 -1.564) 2.829 7.384 ( 2.258 -1.878 -12.200) 12.549 19.232 ( 0.430 -0.208 -0.263) 0.545 35.190 ( 3.091 6.144 0.551) 6.900 36.228 ( 5.541 9.127 -0.313) 10.682 55.976 ( -58.921 -95.378 64.872) 129.526======================= Grid point 985 (345/489) =======================q-point: ( 0.59 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.240 ( 5.648 17.591 8.637) 20.395 3.437 ( 10.790 -0.685 10.321) 14.947 4.214 ( 2.015 4.078 -8.971) 10.058 4.687 ( -1.380 -0.956 -4.782) 5.068 5.808 ( 3.146 7.421 10.441) 13.190 6.349 ( -0.147 -4.241 -2.502) 4.926 6.998 ( 0.185 1.808 -1.766) 2.534 7.335 ( 0.110 -3.022 -8.773) 9.279 19.238 ( 0.590 -0.177 -0.317) 0.692 35.306 ( 1.891 8.089 0.554) 8.325 36.385 ( 5.515 3.641 0.198) 6.612 54.391 ( -56.717 -75.218 47.281) 105.404======================= Grid point 986 (346/489) =======================q-point: ( 0.65 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.408 ( 3.794 -10.374 6.324) 12.729 3.605 ( -3.478 23.506 -2.724) 23.917 4.309 ( 5.551 2.862 -2.365) 6.679 4.654 ( 1.038 3.252 -3.782) 5.095 5.977 ( 5.178 3.677 7.449) 9.789 6.323 ( 1.516 -2.821 -2.188) 3.878 7.007 ( 0.217 1.136 -1.952) 2.268 7.261 ( -1.092 -3.238 -5.553) 6.521 19.245 ( 0.617 -0.392 -0.355) 0.812 35.410 ( -0.453 9.792 0.497) 9.815 36.487 ( 5.245 -1.651 0.486) 5.520 53.003 ( -49.523 -57.622 33.103) 82.878======================= Grid point 987 (347/489) =======================q-point: ( 0.71 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.265 ( -4.655 -11.590 -7.919) 14.788 3.768 ( -6.761 25.429 0.129) 26.312 4.342 ( -0.616 -1.747 1.885) 2.643 4.805 ( 8.123 9.275 -0.417) 12.336 6.085 ( 2.887 -2.968 3.628) 5.505 6.307 ( 1.052 -3.299 -2.245) 4.127 7.019 ( 1.048 1.256 -1.804) 2.435 7.211 ( 0.997 -1.594 -3.047) 3.580 19.249 ( 0.652 -0.577 -0.428) 0.970 35.481 ( -3.394 10.599 0.429) 11.138 36.537 ( 4.738 -5.756 0.613) 7.480 51.883 ( -38.532 -42.288 24.596) 62.273======================= Grid point 988 (348/489) =======================q-point: (-0.24 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.008 ( -9.574 -6.686 -10.413) 15.647 3.822 ( -14.600 21.699 -1.883) 26.221 4.361 ( 3.971 -0.343 4.182) 5.777 5.023 ( 6.101 7.844 1.220) 10.011 6.007 ( -5.834 -9.824 1.357) 11.506 6.279 ( 0.226 -3.269 -1.508) 3.607 7.056 ( 1.233 2.640 -1.010) 3.084 7.261 ( 7.799 0.224 -3.513) 8.557 19.253 ( 0.780 -0.569 -0.570) 1.121 35.503 ( -6.132 9.916 0.407) 11.666 36.544 ( 3.755 -7.777 0.643) 8.660 51.097 ( -24.350 -29.015 23.291) 44.466======================= Grid point 989 (349/489) =======================q-point: (-0.18 0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( -12.409 -1.701 -6.897) 14.299 3.693 ( -20.783 16.431 -1.617) 26.543 4.496 ( 6.714 4.188 3.101) 8.499 5.148 ( 3.209 -0.466 -0.695) 3.316 5.751 ( -12.799 -9.280 4.628) 16.472 6.230 ( -1.385 -3.280 -0.875) 3.666 7.086 ( -0.491 2.685 -0.239) 2.740 7.441 ( 13.668 2.059 -6.868) 15.434 19.260 ( 0.953 -0.354 -0.828) 1.312 35.471 ( -7.920 7.674 0.455) 11.038 36.521 ( 1.986 -7.445 0.554) 7.725 50.707 ( -7.350 -17.878 30.148) 35.813======================= Grid point 999 (350/489) =======================q-point: ( 0.41 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -0.000 16.290 5.325) 17.139 2.885 ( 0.000 13.058 24.368) 27.646 4.206 ( 0.000 6.620 9.939) 11.942 4.584 ( -0.000 -0.666 -1.280) 1.443 5.537 ( 0.000 12.664 7.141) 14.539 6.812 ( 0.000 -15.906 -4.569) 16.549 6.920 ( -0.000 1.800 -0.362) 1.836 7.328 ( -0.000 -0.124 -14.661) 14.661 19.233 ( 0.000 -1.236 0.110) 1.240 35.017 ( -0.000 2.885 0.262) 2.897 35.945 ( -0.000 17.876 -1.064) 17.908 58.655 ( 0.000 -136.773 84.909) 160.985======================= Grid point 1000 (351/489) =======================q-point: ( 0.47 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.219 ( 13.621 15.535 4.536) 21.153 3.090 ( 0.062 5.557 27.447) 28.004 4.287 ( -1.798 8.295 -0.832) 8.529 4.597 ( 2.929 -0.658 -1.754) 3.477 5.677 ( -1.068 11.101 8.128) 13.800 6.591 ( -3.145 -14.916 -6.711) 16.656 6.948 ( 1.241 1.532 -1.058) 2.238 7.309 ( 1.443 1.906 -9.441) 9.739 19.225 ( 0.043 -0.470 0.106) 0.484 35.070 ( 2.655 3.211 0.228) 4.173 36.121 ( 1.169 15.860 -0.458) 15.909 57.486 ( -25.096 -121.561 70.317) 142.659======================= Grid point 1001 (352/489) =======================q-point: ( 0.53 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( 21.351 15.488 3.437) 26.600 3.228 ( 0.683 -2.479 27.180) 27.301 4.299 ( -4.165 9.391 -9.223) 13.806 4.637 ( 3.440 -1.457 -2.838) 4.691 5.795 ( -1.168 9.630 9.175) 13.352 6.397 ( -2.149 -9.260 -5.355) 10.911 6.977 ( 1.074 1.430 -1.691) 2.461 7.309 ( 0.993 0.442 -7.014) 7.098 19.226 ( 0.175 -0.010 0.057) 0.184 35.172 ( 4.833 4.213 0.274) 6.417 36.278 ( 1.042 11.987 -0.019) 12.033 56.092 ( -39.144 -102.439 54.037) 122.254======================= Grid point 1002 (353/489) =======================q-point: ( 0.59 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.244 ( 22.427 14.875 2.689) 27.046 3.296 ( 1.709 -7.733 21.330) 22.752 4.270 ( -4.850 10.805 -12.123) 16.949 4.648 ( 1.548 -2.248 -3.117) 4.142 5.907 ( -0.375 7.958 8.893) 11.940 6.294 ( -0.125 -4.283 -3.693) 5.656 6.996 ( 0.620 0.991 -2.081) 2.387 7.286 ( -0.180 -1.314 -5.016) 5.189 19.230 ( 0.242 0.035 -0.001) 0.245 35.313 ( 5.617 5.895 0.323) 8.149 36.385 ( 0.525 6.793 0.227) 6.817 54.659 ( -44.456 -82.925 38.039) 101.488======================= Grid point 1003 (354/489) =======================q-point: ( 0.65 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.275 ( 1.674 -13.814 10.450) 17.402 3.771 ( 14.611 21.655 1.561) 26.170 4.269 ( -0.696 8.281 -7.406) 11.131 4.633 ( 0.659 -0.436 -3.055) 3.155 6.005 ( 0.344 4.423 6.993) 8.281 6.261 ( 1.139 -2.354 -2.720) 3.773 7.000 ( 0.281 0.390 -2.188) 2.240 7.239 ( -1.168 -2.023 -2.893) 3.719 19.233 ( 0.248 -0.178 -0.070) 0.313 35.472 ( 4.475 8.188 0.336) 9.337 36.431 ( 0.396 0.819 0.313) 0.962 53.318 ( -43.139 -64.650 24.784) 81.577======================= Grid point 1004 (355/489) =======================q-point: ( 0.71 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( -0.888 -11.213 -0.450) 11.258 4.117 ( -2.298 25.908 0.807) 26.022 4.334 ( 2.362 0.856 -0.297) 2.530 4.700 ( 9.180 3.693 -3.052) 10.355 6.050 ( 0.050 -1.782 3.928) 4.314 6.249 ( 1.092 -2.297 -2.009) 3.241 7.000 ( 0.687 0.271 -1.858) 1.999 7.194 ( -0.885 -1.189 -1.029) 1.804 19.234 ( 0.292 -0.401 -0.164) 0.523 35.617 ( 1.092 10.688 0.326) 10.748 36.423 ( 1.387 -5.117 0.324) 5.311 52.168 ( -36.592 -48.278 16.379) 62.753======================= Grid point 1005 (356/489) =======================q-point: (-0.24 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.036 ( -4.470 -5.013 -5.651) 8.778 4.268 ( -10.733 23.921 0.708) 26.228 4.320 ( 0.558 -2.067 2.092) 2.994 4.942 ( 11.631 5.211 -2.123) 12.921 5.989 ( -2.622 -8.090 1.425) 8.623 6.237 ( 0.677 -2.121 -1.019) 2.449 7.029 ( 2.908 1.634 -1.612) 3.704 7.184 ( 1.073 -0.380 -0.285) 1.174 19.235 ( 0.455 -0.442 -0.290) 0.697 35.706 ( -4.202 11.803 0.338) 12.533 36.394 ( 3.666 -9.078 0.344) 9.796 51.295 ( -25.687 -34.106 14.292) 45.026======================= Grid point 1006 (357/489) =======================q-point: (-0.18 0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.889 ( -7.863 1.575 -4.851) 9.372 4.163 ( -16.272 10.145 1.354) 19.223 4.440 ( 4.566 7.033 1.503) 8.519 5.091 ( 3.009 -0.116 -3.418) 4.555 5.843 ( -5.710 -7.369 3.300) 9.889 6.215 ( -0.406 -2.044 -0.492) 2.141 7.101 ( 2.015 2.968 -1.469) 3.877 7.242 ( 7.775 0.154 -2.137) 8.065 19.240 ( 0.704 -0.251 -0.464) 0.880 35.699 ( -8.826 8.930 0.402) 12.562 36.385 ( 5.101 -8.223 0.392) 9.685 50.772 ( -11.072 -22.440 19.297) 31.599======================= Grid point 1017 (358/489) =======================q-point: ( 0.47 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( -0.000 14.081 4.536) 14.793 3.233 ( 0.000 -2.652 30.789) 30.903 4.383 ( -0.000 11.448 -8.916) 14.510 4.555 ( -0.000 -0.952 -1.624) 1.882 5.824 ( 0.000 10.083 7.450) 12.537 6.444 ( -0.000 -12.345 -7.349) 14.367 6.950 ( -0.000 1.554 -0.431) 1.613 7.290 ( -0.000 2.240 -6.091) 6.490 19.224 ( 0.000 -0.021 0.257) 0.258 35.074 ( -0.000 2.679 0.080) 2.680 36.269 ( -0.000 15.325 -0.027) 15.325 56.796 ( 0.000 -114.587 56.176) 127.617======================= Grid point 1018 (359/489) =======================q-point: ( 0.53 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( 13.892 12.742 3.911) 19.252 3.293 ( -0.668 -10.223 29.662) 31.381 4.429 ( -2.985 13.077 -13.247) 18.852 4.560 ( 2.357 -1.319 -2.101) 3.422 5.940 ( -0.858 8.893 7.259) 11.511 6.316 ( -0.647 -6.630 -4.913) 8.277 6.968 ( 0.686 1.283 -0.798) 1.660 7.284 ( 0.083 0.732 -4.697) 4.755 19.226 ( 0.012 0.285 0.318) 0.427 35.131 ( 3.561 2.784 0.046) 4.520 36.404 ( -0.755 12.788 0.204) 12.812 55.778 ( -18.248 -100.957 41.035) 110.495======================= Grid point 1019 (360/489) =======================q-point: ( 0.59 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.985 ( 22.182 10.645 3.367) 24.833 3.274 ( -0.029 -13.569 23.088) 26.780 4.433 ( -5.102 13.373 -12.793) 19.197 4.582 ( 2.597 -0.992 -1.681) 3.248 6.033 ( -1.222 7.394 6.555) 9.957 6.250 ( -0.360 -2.107 -2.762) 3.492 6.986 ( 0.569 0.831 -1.271) 1.622 7.264 ( -0.363 -0.893 -3.507) 3.637 19.231 ( -0.044 0.301 0.306) 0.432 35.249 ( 6.685 3.424 0.054) 7.511 36.486 ( -2.429 8.865 0.253) 9.195 54.600 ( -29.114 -84.253 26.319) 92.946======================= Grid point 1020 (361/489) =======================q-point: ( 0.65 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 0.518 -15.058 14.139) 20.662 3.565 ( 25.624 11.753 2.384) 28.292 4.409 ( -5.371 8.973 -7.994) 13.163 4.620 ( 0.930 3.966 -1.664) 4.400 6.090 ( -1.902 4.062 4.889) 6.635 6.228 ( -0.123 -0.281 -1.506) 1.537 6.992 ( 0.157 0.407 -1.401) 1.467 7.228 ( -0.785 -1.597 -2.149) 2.790 19.232 ( -0.133 0.098 0.237) 0.289 35.420 ( 8.522 4.601 0.051) 9.685 36.494 ( -4.212 4.084 0.187) 5.870 53.404 ( -33.272 -67.003 13.945) 76.098======================= Grid point 1021 (362/489) =======================q-point: ( 0.71 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.083 ( 0.211 -11.450 6.309) 13.075 4.128 ( 24.525 12.331 0.724) 27.460 4.366 ( -3.862 3.971 -3.187) 6.390 4.671 ( -1.564 8.424 -1.089) 8.637 6.077 ( -3.167 -1.608 2.370) 4.270 6.221 ( -0.103 -0.130 -0.542) 0.567 6.991 ( 0.044 0.447 -1.032) 1.125 7.194 ( -0.734 -1.017 -0.866) 1.524 19.230 ( -0.148 -0.126 0.127) 0.232 35.621 ( 8.479 6.442 0.038) 10.648 36.426 ( -5.318 -1.203 0.099) 5.453 52.310 ( -31.585 -50.751 5.747) 60.053======================= Grid point 1022 (363/489) =======================q-point: ( 0.76 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( -0.293 -4.851 0.509) 4.886 4.314 ( -1.536 -0.695 -0.494) 1.757 4.616 ( 7.043 20.094 1.590) 21.352 4.726 ( 6.403 1.927 -1.859) 6.940 5.976 ( -4.129 -6.600 0.578) 7.806 6.214 ( -0.073 -0.668 -0.162) 0.691 7.003 ( 1.096 1.424 -0.504) 1.866 7.178 ( -0.283 -0.285 -0.117) 0.418 19.228 ( 0.002 -0.185 -0.005) 0.185 35.821 ( 5.339 9.457 0.068) 10.860 36.301 ( -4.181 -7.114 0.065) 8.252 51.416 ( -24.791 -36.406 3.081) 44.153======================= Grid point 1023 (364/489) =======================q-point: (-0.18 0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.982 ( -2.025 2.434 -1.799) 3.642 4.286 ( -0.152 -2.440 1.279) 2.759 4.652 ( -10.833 9.799 1.629) 14.698 4.985 ( 10.022 4.075 -3.365) 11.330 5.849 ( -2.594 -6.056 1.175) 6.692 6.204 ( -0.121 -0.734 -0.112) 0.752 7.064 ( 3.829 3.386 -1.085) 5.225 7.175 ( 0.580 -0.655 0.112) 0.882 19.229 ( 0.304 -0.013 -0.147) 0.338 35.935 ( -6.725 10.424 0.208) 12.407 36.199 ( 5.414 -10.153 0.092) 11.507 50.806 ( -13.566 -24.605 6.639) 28.871======================= Grid point 1035 (365/489) =======================q-point: ( 0.53 0.53 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( -0.000 10.758 4.004) 11.479 3.294 ( 0.000 -16.101 28.365) 32.616 4.520 ( -0.000 -1.012 -1.909) 2.161 4.527 ( -0.000 13.688 -13.983) 19.567 6.057 ( 0.000 7.884 5.578) 9.658 6.261 ( -0.000 -2.208 -2.372) 3.240 6.973 ( -0.000 1.206 -0.467) 1.293 7.269 ( -0.000 -0.278 -3.800) 3.810 19.232 ( 0.000 0.487 0.486) 0.688 35.122 ( -0.000 2.154 -0.056) 2.155 36.534 ( -0.000 11.419 0.235) 11.421 55.120 ( 0.000 -92.431 27.041) 96.305======================= Grid point 1036 (366/489) =======================q-point: ( 0.59 0.53 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.778 ( 13.799 8.588 3.567) 16.640 3.227 ( -0.750 -17.897 23.824) 29.807 4.510 ( 0.387 -0.513 -3.529) 3.587 4.593 ( -0.855 12.893 -9.643) 16.123 6.142 ( -0.857 6.558 3.664) 7.561 6.247 ( -0.588 0.818 0.181) 1.024 6.984 ( 0.228 0.912 -0.624) 1.128 7.245 ( -0.234 -1.276 -2.966) 3.237 19.238 ( -0.138 0.480 0.553) 0.745 35.178 ( 4.273 2.026 -0.092) 4.730 36.617 ( -2.192 8.597 0.114) 8.873 54.238 ( -13.536 -79.393 13.445) 81.653======================= Grid point 1037 (367/489) =======================q-point: ( 0.65 0.53 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( 3.760 -11.778 13.758) 18.497 3.255 ( 18.946 2.374 6.639) 20.216 4.480 ( -1.681 0.081 -4.572) 4.872 4.685 ( 0.466 12.358 -4.255) 13.079 6.178 ( -2.321 3.447 1.646) 4.470 6.249 ( -1.269 1.538 1.687) 2.612 6.991 ( 0.081 0.695 -0.681) 0.976 7.215 ( -0.435 -1.282 -1.885) 2.320 19.241 ( -0.348 0.305 0.525) 0.700 35.304 ( 8.111 2.177 -0.131) 8.399 36.624 ( -4.939 5.053 -0.066) 7.067 53.258 ( -21.649 -64.342 1.881) 67.912======================= Grid point 1038 (368/489) =======================q-point: ( 0.71 0.53 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.000 ( 0.211 -12.517 11.570) 17.047 3.752 ( 28.126 5.631 1.288) 28.714 4.421 ( -3.021 -0.006 -3.865) 4.905 4.805 ( 0.058 12.643 -0.556) 12.656 6.134 ( -4.510 -1.656 0.397) 4.821 6.244 ( -1.601 0.861 1.493) 2.352 6.997 ( -0.074 1.148 -0.255) 1.178 7.193 ( -0.507 -0.250 -0.816) 0.993 19.237 ( -0.489 0.116 0.426) 0.659 35.489 ( 10.846 2.413 -0.193) 11.113 36.548 ( -7.622 1.487 -0.203) 7.768 52.293 ( -24.320 -49.245 -6.055) 55.256======================= Grid point 1039 (369/489) =======================q-point: (-0.24 -0.47 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.959 ( 1.826 -6.871 6.185) 9.423 4.276 ( 27.418 1.825 -0.660) 27.486 4.351 ( -3.328 0.706 -2.684) 4.334 4.913 ( -2.543 12.059 2.351) 12.547 6.003 ( -5.868 -5.904 -0.688) 8.352 6.225 ( -1.449 -0.202 0.750) 1.643 7.015 ( 0.086 2.673 0.601) 2.741 7.184 ( -0.626 0.527 -0.205) 0.844 19.231 ( -0.437 0.079 0.291) 0.531 35.710 ( 12.246 2.334 -0.239) 12.469 36.398 ( -9.865 -1.278 -0.219) 9.950 51.446 ( -21.806 -35.490 -9.116) 42.640======================= Grid point 1053 (370/489) =======================q-point: ( 0.59 0.59 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 0.000 6.294 3.672) 7.287 3.152 ( 0.000 -18.984 22.849) 29.706 4.487 ( -0.000 -0.582 -2.107) 2.186 4.684 ( -0.000 12.295 -9.115) 15.306 6.219 ( -0.000 5.402 0.985) 5.491 6.276 ( 0.000 1.828 3.001) 3.514 6.988 ( -0.000 0.779 -0.494) 0.923 7.223 ( -0.000 -1.156 -2.182) 2.469 19.248 ( 0.000 0.493 0.707) 0.862 35.156 ( -0.000 1.366 -0.146) 1.374 36.713 ( -0.000 6.642 -0.144) 6.643 53.645 ( 0.000 -69.760 0.828) 69.765======================= Grid point 1054 (371/489) =======================q-point: ( 0.65 0.59 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.915 ( 10.292 0.465 5.137) 11.512 3.075 ( 3.057 -14.035 18.176) 23.166 4.474 ( -0.161 -0.226 -2.634) 2.649 4.773 ( 0.692 12.099 -6.042) 13.542 6.246 ( -1.759 1.984 -0.025) 2.652 6.296 ( -1.031 0.971 3.415) 3.697 6.994 ( 0.161 0.658 -0.446) 0.811 7.209 ( -0.323 0.437 -0.837) 0.998 19.253 ( -0.295 0.374 0.759) 0.896 35.207 ( 4.702 1.010 -0.191) 4.813 36.738 ( -3.057 3.891 -0.409) 4.965 52.909 ( -10.062 -57.317 -10.035) 59.052======================= Grid point 1055 (372/489) =======================q-point: (-0.29 -0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.925 ( 0.180 -13.611 14.364) 19.789 3.345 ( 23.678 0.768 3.728) 23.982 4.448 ( -1.643 0.780 -3.436) 3.888 4.896 ( 1.957 11.584 -2.525) 12.017 6.183 ( -4.100 -4.415 -0.580) 6.053 6.290 ( -1.884 0.297 2.516) 3.157 7.007 ( 0.509 1.271 0.082) 1.372 7.214 ( -1.012 2.856 0.589) 3.087 19.251 ( -0.586 0.255 0.719) 0.962 35.330 ( 8.831 0.617 -0.271) 8.857 36.682 ( -6.202 1.168 -0.571) 6.337 52.125 ( -15.898 -44.001 -17.706) 50.024======================= Grid point 1056 (373/489) =======================q-point: (-0.24 -0.41 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 2.093 -10.284 10.085) 14.555 3.800 ( 27.734 -2.167 1.488) 27.859 4.412 ( -2.699 3.257 -3.640) 5.580 5.026 ( 1.216 8.939 0.717) 9.050 6.027 ( -5.323 -9.050 -1.801) 10.653 6.259 ( -2.352 -0.935 1.524) 2.955 7.042 ( 1.030 2.704 1.055) 3.080 7.230 ( -2.235 4.704 1.547) 5.433 19.245 ( -0.707 0.273 0.612) 0.974 35.508 ( 11.665 -0.317 -0.367) 11.675 36.552 ( -8.781 -0.592 -0.563) 8.819 51.384 ( -17.183 -31.426 -21.020) 41.529======================= Grid point 1071 (374/489) =======================q-point: (-0.35 -0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 0.000 0.756 3.421) 3.504 2.979 ( 0.000 -17.181 20.273) 26.574 4.466 ( -0.000 0.445 -2.187) 2.232 4.857 ( -0.000 12.273 -6.273) 13.783 6.256 ( 0.000 -3.739 -0.558) 3.780 6.326 ( 0.000 0.298 3.338) 3.351 6.995 ( -0.000 0.304 -0.525) 0.606 7.235 ( -0.000 4.115 1.414) 4.351 19.263 ( 0.000 0.338 0.916) 0.976 35.172 ( -0.000 0.391 -0.213) 0.445 36.791 ( -0.000 1.701 -0.712) 1.844 52.411 ( 0.000 -47.285 -20.402) 51.499======================= Grid point 1072 (375/489) =======================q-point: (-0.29 -0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( -0.156 -13.004 13.402) 18.675 3.022 ( 14.154 -5.098 7.542) 16.829 4.462 ( -0.323 1.395 -2.581) 2.951 4.966 ( 1.262 12.465 -5.321) 13.612 6.162 ( -2.199 -10.622 -1.216) 10.916 6.327 ( -1.206 -0.868 2.721) 3.100 7.002 ( 0.876 0.388 -0.320) 1.010 7.296 ( -1.233 7.783 3.954) 8.817 19.266 ( -0.396 0.306 0.981) 1.101 35.213 ( 4.800 -0.158 -0.270) 4.810 36.764 ( -3.320 -0.595 -0.859) 3.481 51.830 ( -7.452 -35.909 -27.894) 46.077======================= Grid point 1073 (376/489) =======================q-point: (-0.24 -0.35 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 1.217 -13.692 11.838) 18.140 3.330 ( 23.670 -5.622 3.813) 24.626 4.463 ( -0.809 3.743 -3.322) 5.070 5.086 ( 1.344 10.083 -3.142) 10.647 5.974 ( -3.486 -15.415 -2.315) 15.973 6.291 ( -2.216 -2.361 1.828) 3.719 7.034 ( 2.097 0.956 0.135) 2.309 7.370 ( -3.199 10.368 5.927) 12.363 19.264 ( -0.704 0.394 0.951) 1.247 35.323 ( 8.710 -1.061 -0.372) 8.782 36.664 ( -6.136 -2.165 -0.794) 6.555 51.239 ( -11.543 -24.803 -31.389) 41.637======================= Grid point 1089 (377/489) =======================q-point: (-0.29 -0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 0.000 -17.093 17.572) 24.514 2.831 ( 0.000 -5.277 3.145) 6.143 4.468 ( -0.000 1.683 -2.124) 2.710 5.058 ( -0.000 13.944 -7.770) 15.962 6.039 ( 0.000 -16.844 -1.342) 16.897 6.333 ( 0.000 -2.384 2.381) 3.370 6.991 ( -0.000 -0.188 -0.568) 0.598 7.429 ( 0.000 11.263 7.541) 13.554 19.278 ( 0.000 0.354 1.177) 1.229 35.167 ( 0.000 -0.669 -0.281) 0.726 36.773 ( 0.000 -2.647 -0.942) 2.809 51.450 ( -0.000 -26.299 -35.380) 44.084======================= Grid point 1090 (378/489) =======================q-point: (-0.24 -0.29 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.676 ( -1.047 -16.119 12.123) 20.196 2.939 ( 15.602 -9.314 5.361) 18.945 4.483 ( 0.507 2.820 -2.419) 3.750 5.161 ( 0.347 13.051 -8.817) 15.754 5.828 ( -1.822 -21.459 -1.183) 21.569 6.299 ( -1.353 -3.785 1.697) 4.363 7.001 ( 1.763 -0.143 -0.469) 1.830 7.570 ( -2.129 13.194 10.172) 16.796 19.283 ( -0.433 0.498 1.264) 1.426 35.196 ( 4.563 -1.345 -0.346) 4.770 36.708 ( -3.027 -4.186 -0.779) 5.224 51.028 ( -5.571 -16.666 -39.063) 42.834======================= Grid point 1107 (379/489) =======================q-point: (-0.24 -0.24 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( 0.000 -19.354 14.051) 23.917 2.697 ( 0.000 -10.852 2.884) 11.229 4.493 ( -0.000 2.458 -1.960) 3.144 5.234 ( -0.000 11.506 -15.675) 19.445 5.619 ( 0.000 -23.728 2.488) 23.858 6.274 ( 0.000 -4.904 1.329) 5.081 6.978 ( -0.000 -0.671 -0.634) 0.923 7.775 ( 0.000 14.274 13.224) 19.458 19.299 ( 0.000 0.668 1.477) 1.621 35.141 ( 0.000 -1.686 -0.359) 1.723 36.681 ( 0.000 -5.800 -0.487) 5.821 50.776 ( -0.000 -8.348 -42.958) 43.761======================= Grid point 1234 (380/489) =======================q-point: ( 0.24 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( 0.000 -0.000 12.080) 12.080 0.756 ( 0.000 -0.000 12.080) 12.080 3.380 ( 0.000 -0.000 62.052) 62.052 4.612 ( -0.000 0.000 -0.509) 0.509 4.612 ( -0.000 0.000 -0.509) 0.509 6.798 ( -0.000 0.000 -0.244) 0.244 6.798 ( -0.000 0.000 -0.244) 0.244 8.739 ( -0.000 0.000 -21.779) 21.779 19.495 ( 0.000 -0.000 0.015) 0.015 34.849 ( 0.000 -0.000 0.607) 0.607 34.849 ( 0.000 -0.000 0.607) 0.607 68.174 ( -0.000 0.000 -1.663) 1.663======================= Grid point 1235 (381/489) =======================q-point: ( 0.29 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 12.007 6.932 9.598) 16.862 1.063 ( 21.549 12.441 9.996) 26.815 3.621 ( -1.335 -0.771 57.599) 57.619 4.599 ( -0.682 -0.394 -0.610) 0.996 4.692 ( 6.352 3.668 1.003) 7.404 6.790 ( 0.073 0.042 -0.192) 0.209 6.843 ( 2.804 1.619 0.345) 3.256 8.543 ( -7.977 -4.605 -23.259) 25.017 19.448 ( -3.676 -2.122 0.324) 4.257 34.855 ( 0.657 0.379 0.616) 0.977 34.979 ( 10.426 6.019 -0.916) 12.073 66.616 (-125.455 -72.431 44.582) 151.567======================= Grid point 1236 (382/489) =======================q-point: ( 0.35 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 15.631 9.024 6.901) 19.323 1.669 ( 26.527 15.315 9.698) 32.129 3.826 ( 0.095 0.055 47.385) 47.385 4.575 ( -1.152 -0.665 -0.696) 1.502 4.886 ( 9.188 5.305 4.519) 11.532 6.800 ( 0.841 0.485 0.007) 0.971 6.899 ( 0.937 0.541 2.476) 2.702 8.222 ( -10.067 -5.812 -26.052) 28.528 19.358 ( -3.912 -2.259 0.452) 4.540 34.883 ( 1.558 0.900 0.656) 1.915 35.273 ( 15.394 8.888 -2.652) 17.973 63.634 (-153.864 -88.834 95.602) 201.756======================= Grid point 1237 (383/489) =======================q-point: ( 0.41 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 16.314 9.419 4.683) 19.411 2.305 ( 25.071 14.475 11.855) 31.283 4.047 ( 4.195 2.422 34.132) 34.474 4.541 ( -1.580 -0.912 -0.624) 1.928 5.121 ( 8.891 5.133 7.061) 12.460 6.827 ( 1.423 0.822 0.256) 1.663 6.873 ( -5.172 -2.986 4.825) 7.678 7.910 ( -6.104 -3.524 -29.162) 30.002 19.288 ( -2.204 -1.273 0.069) 2.546 34.930 ( 2.243 1.295 0.691) 2.680 35.626 ( 16.376 9.454 -2.770) 19.111 60.705 (-141.411 -81.644 108.150) 195.856======================= Grid point 1238 (384/489) =======================q-point: ( 0.47 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( 15.401 8.892 2.678) 17.984 2.889 ( 21.091 12.177 15.008) 28.606 4.296 ( 7.234 4.176 18.411) 20.218 4.500 ( -1.854 -1.071 -0.279) 2.159 5.337 ( 7.196 4.155 8.451) 11.852 6.711 ( -9.695 -5.597 3.115) 11.620 6.864 ( 1.679 0.969 0.459) 1.992 7.712 ( -1.125 -0.650 -27.081) 27.112 19.258 ( -0.510 -0.295 -0.386) 0.704 34.988 ( 2.586 1.493 0.684) 3.063 35.975 ( 15.087 8.711 -1.800) 17.514 58.172 (-121.169 -69.957 96.923) 170.206======================= Grid point 1239 (385/489) =======================q-point: ( 0.53 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.439 ( 13.328 7.695 0.754) 15.408 3.381 ( 16.306 9.414 16.943) 25.329 4.457 ( -1.911 -1.104 0.356) 2.236 4.477 ( 3.565 2.058 1.018) 4.240 5.536 ( 7.710 4.451 10.019) 13.403 6.521 ( -6.657 -3.843 0.379) 7.696 6.904 ( 1.595 0.921 0.569) 1.928 7.597 ( -0.495 -0.286 -21.556) 21.564 19.256 ( 0.421 0.243 -0.644) 0.807 35.049 ( 2.523 1.457 0.614) 2.977 36.284 ( 12.462 7.195 -0.604) 14.402 56.029 (-101.305 -58.488 77.207) 140.159======================= Grid point 1240 (386/489) =======================q-point: ( 0.59 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.707 ( 10.155 5.863 -1.068) 11.774 3.761 ( 10.621 6.132 14.026) 18.632 4.419 ( -1.637 -0.945 1.195) 2.236 4.436 ( -4.361 -2.518 -9.790) 11.009 5.798 ( 11.566 6.678 9.338) 16.296 6.431 ( -1.550 -0.895 -0.333) 1.821 6.939 ( 1.259 0.727 0.597) 1.572 7.489 ( -1.920 -1.108 -16.607) 16.754 19.267 ( 0.665 0.384 -0.722) 1.054 35.104 ( 2.065 1.192 0.495) 2.435 36.528 ( 9.002 5.197 0.326) 10.399 54.235 ( -82.535 -47.652 57.387) 111.248======================= Grid point 1241 (387/489) =======================q-point: ( 0.65 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.881 ( 5.805 3.351 -2.617) 7.196 3.855 ( -6.725 -3.883 -8.384) 11.428 4.377 ( 4.755 2.745 4.663) 7.204 4.397 ( -0.828 -0.478 2.033) 2.247 6.091 ( 9.935 5.736 5.525) 12.733 6.421 ( 0.196 0.113 -0.691) 0.727 6.965 ( 0.792 0.457 0.586) 1.086 7.382 ( -1.289 -0.744 -12.694) 12.781 19.278 ( 0.570 0.329 -0.743) 0.993 35.145 ( 1.298 0.749 0.369) 1.543 36.691 ( 5.128 2.961 0.859) 5.983 52.784 ( -64.251 -37.095 41.843) 85.177======================= Grid point 1242 (388/489) =======================q-point: (-0.29 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.941 ( 0.501 0.289 -3.563) 3.610 3.507 ( -15.521 -8.961 -19.461) 26.456 4.403 ( 0.478 0.276 2.541) 2.601 4.616 ( 10.618 6.130 12.130) 17.247 6.220 ( -1.279 -0.738 1.877) 2.388 6.409 ( -1.125 -0.650 -1.698) 2.138 6.980 ( 0.294 0.170 0.577) 0.669 7.373 ( 5.678 3.278 -9.814) 11.802 19.286 ( 0.451 0.261 -0.819) 0.971 35.165 ( 0.357 0.206 0.285) 0.501 36.767 ( 1.274 0.736 1.049) 1.807 51.694 ( -45.846 -26.469 33.111) 62.440======================= Grid point 1243 (389/489) =======================q-point: (-0.24 0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( -4.870 -2.812 -3.632) 6.694 3.049 ( -17.035 -9.835 -19.124) 27.434 4.439 ( 1.662 0.960 2.480) 3.136 4.922 ( 11.489 6.633 12.726) 18.383 6.035 ( -14.339 -8.278 -0.525) 16.565 6.360 ( -2.591 -1.496 -1.682) 3.432 6.984 ( -0.173 -0.100 0.593) 0.626 7.542 ( 11.856 6.845 -10.017) 16.963 19.292 ( 0.466 0.269 -1.032) 1.164 35.163 ( -0.607 -0.350 0.281) 0.755 36.760 ( -2.179 -1.258 0.958) 2.692 51.006 ( -26.939 -15.553 32.952) 45.315======================= Grid point 1252 (390/489) =======================q-point: ( 0.29 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 0.000 9.407 10.033) 13.753 1.184 ( -0.000 26.506 9.187) 28.053 3.856 ( 0.000 -3.895 55.373) 55.509 4.612 ( -0.000 0.071 -0.557) 0.562 4.693 ( -0.000 8.538 1.931) 8.754 6.818 ( -0.000 1.437 -0.281) 1.464 6.822 ( -0.000 3.214 -0.039) 3.215 8.429 ( -0.000 -10.864 -24.411) 26.720 19.449 ( 0.000 -4.282 0.346) 4.296 34.871 ( -0.000 1.397 0.573) 1.510 34.962 ( -0.000 10.900 -0.566) 10.915 66.789 ( 0.000 -129.645 35.832) 134.506======================= Grid point 1253 (391/489) =======================q-point: ( 0.35 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 13.945 11.819 7.663) 19.822 1.590 ( 11.068 27.412 8.878) 30.866 4.017 ( -1.062 -4.593 45.944) 46.185 4.601 ( -1.067 0.745 -0.696) 1.476 4.855 ( 5.069 9.959 6.677) 13.018 6.815 ( -0.877 2.182 -0.137) 2.356 6.891 ( 2.298 2.938 0.650) 3.786 8.149 ( -5.316 -13.378 -25.863) 29.599 19.383 ( -2.322 -4.366 0.596) 4.981 34.889 ( 0.177 2.182 0.595) 2.269 35.162 ( 8.740 13.271 -1.626) 15.974 64.880 ( -80.703 -139.301 68.533) 174.970======================= Grid point 1254 (392/489) =======================q-point: ( 0.41 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 14.404 14.934 5.121) 21.372 2.135 ( 18.753 21.796 10.183) 30.503 4.145 ( 0.962 -3.447 33.847) 34.036 4.587 ( -1.854 2.180 -0.493) 2.904 5.085 ( 6.488 8.209 10.463) 14.797 6.829 ( 0.035 2.022 0.194) 2.031 6.929 ( -1.525 -0.126 2.570) 2.991 7.812 ( -4.937 -10.947 -28.449) 30.880 19.308 ( -2.166 -2.919 0.495) 3.669 34.927 ( 1.048 2.881 0.663) 3.137 35.472 ( 12.770 13.117 -2.145) 18.432 62.273 (-107.508 -123.393 88.779) 186.187======================= Grid point 1255 (393/489) =======================q-point: ( 0.47 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 11.949 17.104 3.076) 21.090 2.711 ( 21.078 15.508 12.581) 29.036 4.267 ( 3.680 -4.086 19.428) 20.191 4.584 ( -2.421 4.829 0.859) 5.470 5.310 ( 6.047 5.848 11.774) 14.470 6.806 ( -6.688 -6.193 1.537) 9.244 6.874 ( -0.941 2.164 0.282) 2.376 7.576 ( 0.508 -4.281 -26.908) 27.251 19.262 ( -0.912 -1.331 0.083) 1.616 34.984 ( 1.453 3.600 0.698) 3.945 35.814 ( 13.864 11.279 -1.707) 17.954 59.695 (-107.851 -102.794 87.157) 172.612======================= Grid point 1256 (394/489) =======================q-point: ( 0.53 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( 9.161 17.567 1.272) 19.853 3.241 ( 18.988 10.137 15.361) 26.443 4.330 ( 3.694 -6.603 4.417) 8.761 4.603 ( -2.992 6.370 0.194) 7.040 5.509 ( 5.839 4.608 12.180) 14.272 6.589 ( -7.765 -6.895 -2.286) 10.633 6.904 ( 0.655 2.431 0.288) 2.534 7.484 ( 2.123 -1.244 -20.175) 20.325 19.249 ( 0.179 -0.331 -0.320) 0.493 35.050 ( 1.320 4.230 0.667) 4.481 36.137 ( 13.019 8.521 -0.819) 15.581 57.369 ( -98.195 -83.941 73.143) 148.452======================= Grid point 1257 (395/489) =======================q-point: ( 0.59 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( 5.914 16.964 -0.490) 17.972 3.662 ( 13.458 3.607 16.181) 21.353 4.315 ( 2.825 -6.024 -5.054) 8.355 4.566 ( -6.523 4.014 -4.396) 8.831 5.727 ( 8.572 5.490 11.251) 15.173 6.440 ( -2.464 -3.089 -2.764) 4.822 6.939 ( 0.671 1.944 0.321) 2.081 7.419 ( 0.330 -1.698 -14.720) 14.821 19.254 ( 0.698 0.032 -0.559) 0.895 35.114 ( 0.700 4.644 0.569) 4.731 36.408 ( 10.875 5.339 0.025) 12.115 55.348 ( -84.553 -67.389 55.841) 121.691======================= Grid point 1258 (396/489) =======================q-point: ( 0.65 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 1.705 15.572 -2.158) 15.813 3.811 ( 0.226 -9.800 0.456) 9.813 4.331 ( 5.079 2.216 -1.748) 5.810 4.479 ( -4.593 4.336 -0.409) 6.329 5.992 ( 10.576 5.230 7.490) 13.975 6.402 ( 0.715 -1.015 -2.278) 2.595 6.966 ( 0.478 1.411 0.284) 1.517 7.335 ( -1.057 -2.309 -10.668) 10.966 19.265 ( 0.772 0.005 -0.674) 1.024 35.166 ( -0.276 4.761 0.441) 4.789 36.606 ( 7.896 2.115 0.604) 8.197 53.662 ( -68.782 -52.531 41.020) 95.776======================= Grid point 1259 (397/489) =======================q-point: ( 0.71 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.017 ( -3.590 12.599 -3.448) 13.547 3.550 ( -10.476 -11.808 -16.245) 22.651 4.394 ( 0.904 -1.282 3.447) 3.787 4.601 ( 6.662 10.401 7.190) 14.292 6.195 ( 5.119 0.753 3.293) 6.133 6.395 ( 0.388 -1.443 -2.593) 2.993 6.985 ( 0.207 1.096 0.276) 1.149 7.280 ( 2.197 -0.394 -7.646) 7.966 19.273 ( 0.677 -0.133 -0.767) 1.032 35.200 ( -1.420 4.551 0.336) 4.779 36.721 ( 4.505 -0.804 0.906) 4.665 52.346 ( -51.366 -38.771 32.055) 71.897======================= Grid point 1260 (398/489) =======================q-point: (-0.24 0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.976 ( -9.206 2.430 -6.412) 11.479 3.178 ( -14.157 -2.300 -15.943) 21.445 4.425 ( 2.005 -0.058 3.263) 3.830 4.871 ( 9.141 9.111 9.116) 15.801 6.150 ( -7.995 -7.312 0.685) 10.855 6.361 ( -0.779 -2.125 -2.435) 3.324 6.998 ( -0.303 1.214 0.379) 1.308 7.368 ( 9.706 3.398 -7.272) 12.594 19.279 ( 0.624 -0.193 -0.934) 1.140 35.210 ( -2.533 4.037 0.300) 4.775 36.752 ( 1.084 -3.134 0.980) 3.458 51.449 ( -32.358 -25.710 30.961) 51.639======================= Grid point 1270 (399/489) =======================q-point: ( 0.35 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 0.000 15.035 7.706) 16.895 1.839 ( -0.000 31.078 8.696) 32.272 4.153 ( 0.000 -6.297 38.695) 39.204 4.605 ( -0.000 -0.207 -0.779) 0.806 4.971 ( 0.000 13.192 10.544) 16.888 6.847 ( -0.000 1.825 -0.405) 1.870 6.909 ( -0.000 5.005 0.287) 5.013 7.927 ( -0.000 -17.442 -25.907) 31.232 19.357 ( 0.000 -4.946 0.699) 4.995 34.911 ( -0.000 2.208 0.424) 2.248 35.232 ( -0.000 16.803 -1.403) 16.861 64.339 ( 0.000 -158.148 68.550) 172.366======================= Grid point 1271 (400/489) =======================q-point: ( 0.41 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 12.738 15.983 6.108) 21.331 2.227 ( 5.768 28.652 9.636) 30.774 4.234 ( -0.571 -5.529 29.355) 29.877 4.606 ( 0.652 0.413 -0.948) 1.222 5.167 ( 1.885 11.743 13.599) 18.066 6.858 ( -0.583 2.100 -0.221) 2.190 6.959 ( -0.210 2.321 1.005) 2.538 7.619 ( -2.074 -15.932 -26.888) 31.322 19.305 ( -1.070 -3.819 0.681) 4.024 34.944 ( 0.842 2.891 0.430) 3.042 35.451 ( 6.061 17.021 -1.498) 18.129 62.636 ( -52.236 -149.248 76.184) 175.521======================= Grid point 1272 (401/489) =======================q-point: ( 0.47 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 15.333 18.143 4.068) 24.100 2.662 ( 10.667 21.861 11.641) 26.967 4.276 ( -0.423 -5.420 18.582) 19.361 4.630 ( 1.163 2.076 -0.804) 2.511 5.367 ( 2.378 8.904 14.680) 17.333 6.842 ( -3.947 -4.430 -0.286) 5.940 6.919 ( -2.586 -0.425 -1.363) 2.954 7.391 ( 2.223 -5.702 -23.627) 24.407 19.261 ( -0.786 -2.115 0.408) 2.293 35.001 ( 1.628 3.990 0.523) 4.341 35.735 ( 9.176 14.791 -1.280) 17.453 60.475 ( -75.719 -129.055 75.070) 167.404======================= Grid point 1273 (402/489) =======================q-point: ( 0.53 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( 11.165 21.438 2.239) 24.275 3.111 ( 15.087 13.188 14.251) 24.589 4.263 ( -0.586 -6.633 6.794) 9.513 4.669 ( 0.469 2.862 -1.886) 3.460 5.547 ( 2.680 6.687 14.338) 16.046 6.619 ( -7.279 -9.918 -6.282) 13.814 6.924 ( 0.190 2.739 -0.756) 2.848 7.346 ( 3.557 -0.371 -15.355) 15.765 19.241 ( -0.041 -0.813 0.026) 0.815 35.078 ( 1.679 5.307 0.586) 5.597 36.026 ( 10.249 11.072 -0.740) 15.106 58.265 ( -81.378 -107.188 64.399) 149.195======================= Grid point 1274 (403/489) =======================q-point: ( 0.59 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.799 ( 5.530 23.477 0.802) 24.133 3.528 ( 14.536 4.051 16.916) 22.668 4.196 ( 0.714 -6.202 -5.080) 8.049 4.660 ( -2.927 1.815 -4.454) 5.630 5.723 ( 4.333 5.951 12.771) 14.741 6.426 ( -2.813 -5.384 -6.075) 8.591 6.952 ( 0.372 2.289 -0.588) 2.393 7.332 ( 1.604 -0.894 -10.564) 10.722 19.241 ( 0.507 -0.213 -0.282) 0.619 35.163 ( 0.929 6.606 0.570) 6.696 36.284 ( 9.886 6.634 -0.144) 11.906 56.204 ( -77.099 -86.716 49.571) 126.179======================= Grid point 1275 (404/489) =======================q-point: ( 0.65 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.083 ( 0.424 23.912 -0.776) 23.928 3.705 ( 1.305 -11.557 7.482) 13.829 4.220 ( 8.951 3.479 -5.707) 11.171 4.588 ( -4.410 2.346 -3.278) 5.975 5.924 ( 7.045 5.037 9.349) 12.744 6.358 ( 0.975 -2.187 -4.372) 4.985 6.974 ( 0.348 1.581 -0.612) 1.730 7.288 ( -0.530 -2.077 -7.105) 7.421 19.248 ( 0.708 -0.154 -0.471) 0.864 35.240 ( -0.451 7.620 0.490) 7.649 36.484 ( 8.506 2.138 0.320) 8.777 54.397 ( -66.951 -68.173 35.890) 102.069======================= Grid point 1276 (405/489) =======================q-point: ( 0.71 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.258 ( -6.276 20.807 -3.501) 22.013 3.508 ( -5.511 -12.177 -8.497) 15.839 4.373 ( 2.904 -0.097 2.630) 3.919 4.622 ( 4.850 9.054 1.137) 10.334 6.115 ( 6.788 1.543 4.906) 8.517 6.348 ( 1.520 -1.994 -3.627) 4.409 6.991 ( 0.447 1.083 -0.624) 1.327 7.229 ( -0.403 -1.771 -4.243) 4.616 19.256 ( 0.701 -0.323 -0.594) 0.974 35.297 ( -2.169 8.108 0.397) 8.402 36.615 ( 6.433 -1.820 0.614) 6.713 52.922 ( -52.848 -51.414 27.014) 78.524======================= Grid point 1277 (406/489) =======================q-point: (-0.24 0.35 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.105 ( -11.717 -6.593 -13.202) 18.843 3.401 ( -9.815 17.005 -5.097) 20.285 4.400 ( 1.793 -1.326 3.993) 4.574 4.854 ( 7.841 9.804 3.979) 13.169 6.169 ( -1.405 -5.581 1.569) 5.965 6.327 ( 0.627 -2.495 -2.961) 3.923 7.011 ( 0.653 1.572 -0.405) 1.749 7.238 ( 4.759 0.564 -3.351) 5.848 19.261 ( 0.671 -0.453 -0.729) 1.089 35.326 ( -3.881 7.916 0.347) 8.823 36.673 ( 3.934 -4.758 0.776) 6.223 51.847 ( -35.645 -36.192 25.126) 56.672======================= Grid point 1288 (407/489) =======================q-point: ( 0.41 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -0.000 16.489 6.136) 17.594 2.518 ( -0.000 29.228 10.406) 31.025 4.298 ( 0.000 -5.639 23.369) 24.040 4.590 ( -0.000 -0.502 -1.126) 1.232 5.335 ( 0.000 11.959 14.472) 18.774 6.881 ( -0.000 1.950 -0.542) 2.024 6.982 ( -0.000 -0.425 -0.321) 0.532 7.365 ( -0.000 -14.021 -24.770) 28.463 19.280 ( 0.000 -3.392 0.726) 3.469 34.963 ( -0.000 2.711 0.213) 2.719 35.576 ( -0.000 18.831 -1.031) 18.859 61.875 ( 0.000 -153.026 70.513) 168.491======================= Grid point 1289 (408/489) =======================q-point: ( 0.47 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 12.716 16.560 5.046) 21.480 2.854 ( 1.885 25.146 12.272) 28.044 4.316 ( -1.455 -5.655 15.431) 16.498 4.599 ( 2.140 -0.197 -1.407) 2.569 5.509 ( 0.142 10.262 14.435) 17.711 6.841 ( -4.634 -10.724 -6.575) 13.406 6.918 ( 0.540 -0.690 -3.229) 3.346 7.228 ( 2.437 0.026 -14.366) 14.571 19.251 ( -0.334 -2.141 0.593) 2.246 35.007 ( 1.784 3.224 0.199) 3.690 35.786 ( 3.455 17.727 -0.700) 18.074 60.383 ( -35.806 -141.256 64.192) 159.235======================= Grid point 1290 (409/489) =======================q-point: ( 0.53 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 17.966 17.815 3.499) 25.542 3.170 ( 3.658 17.621 15.016) 23.438 4.264 ( -3.162 -6.191 5.525) 8.880 4.639 ( 3.010 0.120 -2.304) 3.792 5.662 ( 0.139 8.352 13.764) 16.100 6.578 ( -5.053 -12.414 -11.166) 17.445 6.936 ( 0.706 2.056 -1.509) 2.646 7.248 ( 2.667 2.275 -8.338) 9.045 19.235 ( -0.102 -0.926 0.325) 0.987 35.088 ( 3.104 4.383 0.287) 5.378 36.017 ( 5.068 14.351 -0.370) 15.224 58.549 ( -54.810 -122.376 53.497) 144.367======================= Grid point 1291 (410/489) =======================q-point: ( 0.59 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( 15.012 21.345 1.924) 26.166 3.451 ( 6.925 6.041 18.538) 20.691 4.143 ( -3.669 -4.760 -6.081) 8.550 4.663 ( 0.999 -0.432 -3.511) 3.676 5.800 ( 0.878 7.058 12.198) 14.121 6.376 ( -2.169 -6.717 -8.808) 11.288 6.960 ( 0.583 1.816 -1.342) 2.332 7.269 ( 1.417 0.685 -5.907) 6.113 19.231 ( 0.236 -0.243 0.045) 0.342 35.196 ( 3.209 6.080 0.364) 6.884 36.226 ( 5.627 9.441 -0.066) 10.991 56.652 ( -61.127 -101.558 40.041) 125.116======================= Grid point 1292 (411/489) =======================q-point: ( 0.65 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.293 ( 6.032 25.404 1.155) 26.136 3.606 ( 2.238 -11.850 13.614) 18.188 4.087 ( 5.508 5.165 -10.262) 12.741 4.635 ( -1.601 -0.385 -3.204) 3.603 5.937 ( 2.457 5.565 9.549) 11.322 6.293 ( 0.967 -2.739 -5.966) 6.635 6.978 ( 0.391 1.149 -1.269) 1.756 7.256 ( -0.255 -1.004 -3.792) 3.931 19.236 ( 0.424 -0.112 -0.171) 0.471 35.312 ( 1.948 8.035 0.381) 8.276 36.387 ( 5.646 3.802 0.157) 6.809 54.873 ( -58.587 -81.240 27.407) 103.844======================= Grid point 1293 (412/489) =======================q-point: ( 0.71 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.428 ( -6.159 -14.666 -3.733) 16.339 3.587 ( -1.994 27.146 0.109) 27.220 4.293 ( 9.541 3.770 0.336) 10.264 4.619 ( 2.132 3.108 -1.788) 4.172 6.064 ( 3.581 2.116 5.924) 7.239 6.279 ( 2.016 -1.937 -4.278) 5.111 6.987 ( 0.419 0.526 -1.101) 1.291 7.216 ( -1.156 -1.519 -1.729) 2.576 19.240 ( 0.472 -0.286 -0.327) 0.641 35.416 ( -0.439 9.759 0.354) 9.775 36.492 ( 5.400 -1.633 0.309) 5.650 53.339 ( -49.752 -62.431 18.800) 82.014======================= Grid point 1294 (413/489) =======================q-point: ( 0.76 0.41 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( -8.844 -9.280 -10.611) 16.641 3.765 ( -8.060 26.033 -0.660) 27.260 4.375 ( 1.072 -2.060 3.151) 3.915 4.803 ( 10.217 8.050 -0.056) 13.008 6.123 ( 1.311 -4.142 2.083) 4.818 6.272 ( 1.399 -2.213 -2.773) 3.814 7.001 ( 1.293 0.815 -0.849) 1.748 7.190 ( 0.385 -0.532 -0.508) 0.830 19.243 ( 0.503 -0.470 -0.459) 0.827 35.486 ( -3.388 10.596 0.333) 11.129 36.544 ( 4.902 -5.831 0.439) 7.630 52.148 ( -36.136 -45.489 16.324) 60.345======================= Grid point 1306 (414/489) =======================q-point: ( 0.47 0.47 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( -0.000 15.805 5.091) 16.605 3.139 ( 0.000 22.397 14.716) 26.799 4.329 ( 0.000 -5.603 9.282) 10.842 4.566 ( -0.000 -0.810 -1.521) 1.723 5.667 ( 0.000 9.696 13.005) 16.222 6.683 ( -0.000 -16.296 -14.867) 22.058 6.913 ( -0.000 1.870 -0.630) 1.973 7.196 ( -0.000 4.362 -6.271) 7.639 19.239 ( 0.000 -1.469 0.630) 1.598 35.019 ( -0.000 2.871 0.006) 2.871 35.937 ( -0.000 18.178 -0.253) 18.179 59.542 ( 0.000 -139.033 53.610) 149.011======================= Grid point 1307 (415/489) =======================q-point: ( 0.53 0.47 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.277 ( 13.088 15.192 4.316) 20.511 3.392 ( -0.645 15.000 18.657) 23.948 4.277 ( -2.689 -4.350 0.043) 5.114 4.574 ( 2.556 -0.900 -1.836) 3.273 5.804 ( -0.438 8.441 11.424) 14.211 6.461 ( -1.873 -11.752 -12.681) 17.390 6.935 ( 0.675 1.739 -0.930) 2.085 7.224 ( 0.830 3.412 -4.281) 5.537 19.230 ( -0.059 -0.610 0.530) 0.810 35.071 ( 2.749 3.190 -0.014) 4.211 36.119 ( 1.149 16.145 0.011) 16.186 58.204 ( -25.585 -126.645 41.620) 135.741======================= Grid point 1308 (416/489) =======================q-point: ( 0.59 0.47 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( 20.614 15.343 3.153) 25.890 3.555 ( -1.256 2.086 23.006) 23.134 4.168 ( -4.938 1.927 -10.747) 11.983 4.605 ( 2.879 -1.359 -2.018) 3.769 5.918 ( -0.461 7.287 9.432) 11.928 6.303 ( -1.175 -5.688 -8.528) 10.317 6.959 ( 0.708 1.426 -1.132) 1.953 7.245 ( 0.587 1.421 -3.250) 3.595 19.229 ( 0.016 -0.039 0.354) 0.356 35.174 ( 4.966 4.164 0.039) 6.481 36.279 ( 1.030 12.194 0.133) 12.238 56.624 ( -40.112 -108.866 28.623) 119.499======================= Grid point 1309 (417/489) =======================q-point: ( 0.65 0.47 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.272 ( 21.588 16.818 1.945) 27.435 3.554 ( -3.005 -13.346 18.032) 22.634 4.111 ( -3.293 12.779 -12.138) 17.929 4.616 ( 1.055 -1.558 -1.675) 2.519 6.013 ( -0.016 5.788 6.975) 9.063 6.233 ( 0.255 -1.691 -5.024) 5.308 6.975 ( 0.413 0.859 -1.085) 1.444 7.241 ( -0.196 -0.444 -2.093) 2.148 19.231 ( 0.068 0.091 0.166) 0.201 35.316 ( 5.746 5.819 0.089) 8.179 36.387 ( 0.535 6.890 0.147) 6.912 55.013 ( -45.085 -89.235 16.769) 101.374======================= Grid point 1310 (418/489) =======================q-point: ( 0.71 0.47 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.373 ( -5.102 -15.506 4.244) 16.866 3.786 ( 13.463 22.582 0.688) 26.300 4.196 ( 3.546 9.490 -3.243) 10.637 4.606 ( 0.130 -0.164 -1.135) 1.154 6.081 ( 0.106 2.337 4.228) 4.832 6.220 ( 1.098 -0.532 -2.933) 3.176 6.981 ( 0.183 0.321 -0.768) 0.853 7.215 ( -0.866 -1.305 -0.851) 1.783 19.233 ( 0.078 -0.081 -0.006) 0.113 35.475 ( 4.588 8.099 0.117) 9.309 36.433 ( 0.446 0.818 0.116) 0.939 53.533 ( -42.400 -69.940 8.508) 82.229======================= Grid point 1311 (419/489) =======================q-point: ( 0.76 0.47 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.149 ( -6.339 -9.295 -3.823) 11.882 4.128 ( -2.153 26.625 0.608) 26.718 4.338 ( 4.388 0.483 1.153) 4.563 4.672 ( 9.195 3.171 -1.151) 9.794 6.085 ( -0.681 -3.517 1.254) 3.795 6.225 ( 1.056 -0.684 -1.347) 1.843 6.986 ( 0.596 0.332 -0.322) 0.754 7.188 ( -0.624 -0.842 0.055) 1.050 19.232 ( 0.130 -0.295 -0.156) 0.358 35.620 ( 1.196 10.616 0.154) 10.684 36.426 ( 1.495 -5.183 0.121) 5.396 52.311 ( -33.604 -52.182 5.654) 62.323======================= Grid point 1324 (420/489) =======================q-point: ( 0.53 0.53 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( -0.000 13.748 4.406) 14.437 3.596 ( 0.000 4.491 24.661) 25.067 4.265 ( -0.000 1.266 -8.576) 8.668 4.533 ( -0.000 -1.055 -1.891) 2.165 5.930 ( 0.000 7.611 8.380) 11.320 6.330 ( -0.000 -7.390 -9.335) 11.906 6.943 ( -0.000 1.636 -0.654) 1.762 7.233 ( -0.000 2.512 -3.000) 3.913 19.230 ( 0.000 -0.103 0.613) 0.621 35.073 ( -0.000 2.686 -0.148) 2.690 36.270 ( -0.000 15.487 0.191) 15.488 57.344 ( 0.000 -120.791 29.017) 124.228======================= Grid point 1325 (421/489) =======================q-point: ( 0.59 0.53 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( 13.429 12.493 3.841) 18.739 3.659 ( -2.381 -10.797 26.956) 29.135 4.249 ( -2.786 11.700 -14.462) 18.810 4.536 ( 2.395 -1.288 -1.698) 3.206 6.024 ( -0.311 6.624 4.435) 7.978 6.250 ( -0.649 -2.119 -3.802) 4.401 6.959 ( 0.391 1.374 -0.729) 1.604 7.240 ( 0.091 0.840 -2.222) 2.378 19.233 ( -0.074 0.273 0.584) 0.649 35.130 ( 3.616 2.784 -0.166) 4.567 36.407 ( -0.759 12.832 0.185) 12.856 56.147 ( -18.501 -107.728 16.365) 110.524======================= Grid point 1326 (422/489) =======================q-point: ( 0.65 0.53 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 22.124 11.198 3.075) 24.986 3.549 ( -4.436 -17.546 18.854) 26.134 4.281 ( -3.824 16.199 -10.508) 19.683 4.565 ( 2.711 -0.769 -0.910) 2.961 6.089 ( -0.273 5.400 0.319) 5.417 6.227 ( -1.127 1.063 1.092) 1.895 6.973 ( 0.316 0.917 -0.658) 1.172 7.232 ( -0.190 -0.747 -1.381) 1.581 19.236 ( -0.187 0.346 0.476) 0.617 35.248 ( 6.759 3.395 -0.157) 7.565 36.488 ( -2.419 8.815 0.070) 9.141 54.803 ( -29.010 -90.761 5.199) 95.427======================= Grid point 1327 (423/489) =======================q-point: ( 0.71 0.53 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.331 ( -3.467 -15.580 10.650) 19.188 3.587 ( 23.913 11.175 0.828) 26.409 4.325 ( -3.496 11.246 -4.699) 12.680 4.608 ( 1.092 3.733 -0.093) 3.891 6.118 ( -0.879 2.618 -1.603) 3.193 6.228 ( -1.467 1.497 2.646) 3.375 6.981 ( 0.038 0.540 -0.252) 0.597 7.210 ( -0.471 -1.432 -0.590) 1.619 19.236 ( -0.302 0.175 0.322) 0.475 35.419 ( 8.606 4.534 -0.162) 9.729 36.495 ( -4.172 3.986 -0.062) 5.770 53.477 ( -31.999 -72.621 -2.636) 79.403======================= Grid point 1342 (424/489) =======================q-point: ( 0.59 0.59 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( -0.000 10.529 4.012) 11.268 3.642 ( 0.000 -19.180 25.329) 31.772 4.355 ( -0.000 16.145 -12.629) 20.498 4.494 ( -0.000 -1.057 -2.194) 2.436 6.095 ( -0.000 6.319 -1.276) 6.447 6.253 ( 0.000 1.388 2.693) 3.030 6.966 ( -0.000 1.279 -0.639) 1.430 7.235 ( -0.000 -0.338 -1.427) 1.467 19.240 ( 0.000 0.501 0.702) 0.863 35.120 ( -0.000 2.177 -0.230) 2.189 36.536 ( -0.000 11.325 0.053) 11.325 55.322 ( 0.000 -99.296 4.346) 99.391======================= Grid point 1343 (425/489) =======================q-point: ( 0.65 0.59 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 13.489 8.501 3.629) 16.352 3.516 ( -3.152 -19.832 20.543) 28.728 4.431 ( -2.409 10.099 -7.829) 13.004 4.517 ( 3.162 4.586 -3.043) 6.348 6.144 ( -0.546 6.435 -3.179) 7.198 6.282 ( -1.054 2.215 5.045) 5.610 6.976 ( 0.177 0.993 -0.541) 1.145 7.221 ( -0.178 -1.240 -0.499) 1.348 19.247 ( -0.218 0.522 0.704) 0.904 35.176 ( 4.286 2.038 -0.248) 4.752 36.617 ( -2.170 8.419 -0.169) 8.696 54.286 ( -13.208 -85.901 -6.059) 87.122======================= Grid point 1344 (426/489) =======================q-point: (-0.29 -0.41 -0.76)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.197 ( 15.820 -0.520 6.538) 17.125 3.375 ( 2.375 -9.212 11.328) 14.792 4.420 ( -2.218 2.356 -4.428) 5.485 4.644 ( 3.054 11.191 -2.322) 11.830 6.166 ( -1.974 4.399 -2.925) 5.640 6.293 ( -2.125 1.167 4.489) 5.102 6.987 ( 0.156 0.851 -0.041) 0.866 7.203 ( -0.440 -1.057 0.254) 1.173 19.248 ( -0.486 0.371 0.611) 0.864 35.302 ( 8.121 2.160 -0.283) 8.408 36.621 ( -4.874 4.856 -0.366) 6.890 53.184 ( -20.309 -70.099 -13.359) 74.194======================= Grid point 1360 (427/489) =======================q-point: (-0.35 -0.35 -0.76)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 0.000 6.099 3.833) 7.203 3.438 ( 0.000 -19.905 21.305) 29.157 4.457 ( -0.000 -0.553 -2.416) 2.479 4.572 ( -0.000 13.996 -8.523) 16.387 6.204 ( -0.000 6.570 -2.758) 7.125 6.333 ( 0.000 1.472 5.083) 5.292 6.981 ( -0.000 0.830 -0.611) 1.031 7.212 ( 0.000 -0.791 0.941) 1.229 19.258 ( 0.000 0.545 0.822) 0.986 35.153 ( -0.000 1.387 -0.259) 1.411 36.709 ( -0.000 6.406 -0.472) 6.423 53.549 ( 0.000 -75.986 -15.689) 77.589======================= Grid point 1361 (428/489) =======================q-point: (-0.29 -0.35 -0.76)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.970 ( 12.451 2.605 3.903) 13.305 3.320 ( -1.643 -16.850 19.091) 25.516 4.436 ( -0.901 0.097 -3.156) 3.284 4.692 ( 2.742 12.753 -6.749) 14.687 6.230 ( -1.760 3.063 -2.148) 4.134 6.349 ( -1.353 0.013 4.311) 4.519 6.989 ( 0.390 0.735 -0.341) 0.899 7.217 ( -0.621 1.390 2.444) 2.880 19.263 ( -0.374 0.449 0.824) 1.010 35.204 ( 4.683 1.015 -0.283) 4.800 36.731 ( -3.007 3.673 -0.708) 4.800 52.699 ( -9.145 -62.998 -22.396) 67.483======================= Grid point 1378 (429/489) =======================q-point: (-0.29 -0.29 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.893 ( 0.000 0.501 3.741) 3.774 3.246 ( 0.000 -18.417 20.909) 27.864 4.435 ( -0.000 0.578 -2.526) 2.591 4.756 ( -0.000 13.015 -9.522) 16.126 6.242 ( 0.000 -3.079 -1.473) 3.413 6.373 ( 0.000 -0.876 3.629) 3.733 6.987 ( -0.000 0.325 -0.592) 0.676 7.276 ( 0.000 5.941 5.245) 7.925 19.275 ( 0.000 0.441 0.935) 1.034 35.169 ( -0.000 0.391 -0.267) 0.474 36.780 ( -0.000 1.547 -0.945) 1.813 52.093 ( -0.000 -52.694 -28.575) 59.943======================= Grid point 1541 (430/489) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( 0.000 -0.000 9.920) 9.920 0.897 ( 0.000 -0.000 9.920) 9.920 4.154 ( 0.000 -0.000 58.587) 58.587 4.606 ( -0.000 0.000 -0.504) 0.504 4.606 ( -0.000 0.000 -0.504) 0.504 6.795 ( -0.000 0.000 -0.241) 0.241 6.795 ( -0.000 0.000 -0.241) 0.241 8.427 ( -0.000 0.000 -26.665) 26.665 19.495 ( 0.000 -0.000 0.019) 0.019 34.856 ( 0.000 -0.000 0.586) 0.586 34.856 ( 0.000 -0.000 0.586) 0.586 68.152 ( -0.000 0.000 -1.607) 1.607======================= Grid point 1542 (431/489) =======================q-point: ( 0.35 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 10.794 6.232 7.517) 14.555 1.184 ( 20.874 12.051 8.703) 25.626 4.304 ( -5.619 -3.244 45.063) 45.528 4.592 ( -0.729 -0.421 -0.480) 0.969 4.739 ( 8.699 5.022 10.078) 14.229 6.789 ( 0.160 0.092 -0.030) 0.187 6.843 ( 3.318 1.915 -0.249) 3.839 8.215 ( -7.929 -4.578 -27.796) 29.265 19.452 ( -3.418 -1.973 0.349) 3.962 34.863 ( 0.680 0.392 0.639) 1.012 34.972 ( 9.339 5.392 -0.276) 10.788 67.037 ( -92.515 -53.413 23.524) 109.386======================= Grid point 1543 (432/489) =======================q-point: ( 0.41 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 14.634 8.449 4.901) 17.594 1.785 ( 27.221 15.716 8.272) 32.502 4.353 ( -3.668 -2.118 31.679) 31.961 4.568 ( -1.171 -0.676 -0.386) 1.406 5.009 ( 8.904 5.141 17.514) 20.309 6.802 ( 0.948 0.547 0.269) 1.127 6.918 ( 2.525 1.458 0.673) 2.992 7.866 ( -11.056 -6.383 -29.331) 31.989 19.366 ( -3.972 -2.293 0.677) 4.636 34.892 ( 1.578 0.911 0.703) 1.953 35.248 ( 14.683 8.477 -1.352) 17.009 64.601 (-130.512 -75.351 57.873) 161.433======================= Grid point 1544 (433/489) =======================q-point: ( 0.47 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 15.510 8.955 2.672) 18.108 2.442 ( 26.859 15.507 9.440) 32.419 4.420 ( -0.855 -0.494 22.387) 22.409 4.536 ( -1.506 -0.869 -0.104) 1.742 5.269 ( 7.358 4.248 17.287) 19.262 6.832 ( 1.502 0.867 0.540) 1.817 6.912 ( -4.855 -2.803 1.129) 5.719 7.531 ( -5.503 -3.177 -29.604) 30.278 19.293 ( -2.534 -1.463 0.485) 2.966 34.939 ( 2.241 1.294 0.736) 2.690 35.599 ( 16.366 9.449 -1.551) 18.961 61.847 (-134.023 -77.378 71.230) 170.362======================= Grid point 1545 (434/489) =======================q-point: ( 0.53 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 14.683 8.477 0.719) 16.970 3.061 ( 23.387 13.503 11.821) 29.479 4.484 ( -0.426 -0.246 10.169) 10.181 4.501 ( -1.662 -0.959 0.416) 1.964 5.488 ( 5.918 3.417 15.312) 16.768 6.704 ( -10.639 -6.143 -5.024) 13.273 6.872 ( 1.706 0.985 0.703) 2.092 7.396 ( 1.781 1.028 -20.959) 21.059 19.256 ( -0.835 -0.482 0.009) 0.965 34.997 ( 2.552 1.473 0.706) 3.030 35.958 ( 15.470 8.932 -1.030) 17.893 59.218 (-123.106 -71.076 66.187) 156.805======================= Grid point 1546 (435/489) =======================q-point: ( 0.59 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.437 ( 12.659 7.308 -1.020) 14.652 3.586 ( 17.550 10.133 14.825) 25.109 4.446 ( -4.366 -2.521 -6.023) 7.855 4.467 ( -1.621 -0.936 1.118) 2.180 5.686 ( 6.749 3.896 13.082) 15.227 6.484 ( -5.581 -3.222 -6.287) 9.003 6.913 ( 1.578 0.911 0.745) 1.968 7.365 ( 1.256 0.725 -13.977) 14.052 19.250 ( 0.230 0.133 -0.410) 0.488 35.057 ( 2.460 1.420 0.606) 2.904 36.279 ( 12.913 7.455 -0.293) 14.913 56.866 (-106.606 -61.549 52.912) 133.988======================= Grid point 1547 (436/489) =======================q-point: ( 0.65 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( 9.564 5.522 -2.481) 11.318 3.920 ( 2.532 1.462 9.668) 10.101 4.288 ( -0.527 -0.304 -12.184) 12.200 4.439 ( -1.311 -0.757 1.855) 2.394 5.919 ( 9.413 5.434 9.292) 14.300 6.400 ( -0.433 -0.250 -4.536) 4.564 6.948 ( 1.222 0.705 0.706) 1.577 7.319 ( -0.900 -0.519 -9.658) 9.714 19.258 ( 0.588 0.339 -0.659) 0.946 35.111 ( 1.992 1.150 0.466) 2.347 36.532 ( 9.352 5.399 0.327) 10.803 54.860 ( -87.641 -50.600 39.362) 108.585======================= Grid point 1548 (437/489) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 5.401 3.118 -3.476) 7.140 3.686 ( -14.839 -8.567 -16.990) 24.130 4.426 ( -0.584 -0.337 2.408) 2.501 4.464 ( 11.016 6.360 8.051) 15.054 6.156 ( 7.698 4.445 4.507) 9.967 6.392 ( 0.603 0.348 -3.738) 3.802 6.973 ( 0.759 0.438 0.642) 1.087 7.258 ( -0.697 -0.402 -6.476) 6.525 19.268 ( 0.531 0.307 -0.797) 1.006 35.149 ( 1.241 0.717 0.337) 1.472 36.701 ( 5.335 3.080 0.733) 6.204 53.251 ( -67.237 -38.819 30.365) 83.365======================= Grid point 1559 (438/489) =======================q-point: ( 0.35 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 0.000 8.643 8.355) 12.021 1.288 ( -0.000 26.039 6.912) 26.941 4.454 ( 0.000 -7.991 28.811) 29.899 4.604 ( -0.000 -0.019 -0.589) 0.589 4.808 ( 0.000 10.231 24.861) 26.884 6.813 ( -0.000 1.394 -0.400) 1.450 6.820 ( -0.000 3.331 -0.106) 3.333 8.087 ( -0.000 -10.022 -28.807) 30.501 19.453 ( 0.000 -3.950 0.348) 3.966 34.878 ( -0.000 1.359 0.430) 1.426 34.959 ( -0.000 9.954 0.018) 9.954 67.129 ( 0.000 -98.010 19.086) 99.851======================= Grid point 1560 (439/489) =======================q-point: ( 0.41 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 12.391 11.470 6.084) 17.948 1.690 ( 11.765 27.842 6.547) 30.927 4.469 ( -1.719 -5.615 20.880) 21.690 4.594 ( -0.881 0.493 -0.354) 1.070 5.058 ( 3.955 7.560 28.161) 29.426 6.814 ( -0.598 2.039 -0.033) 2.125 6.894 ( 2.883 3.507 -0.143) 4.542 7.793 ( -5.945 -12.698 -29.459) 32.625 19.391 ( -2.269 -4.222 0.651) 4.837 34.896 ( 0.316 2.107 0.503) 2.189 35.148 ( 8.207 12.668 -0.682) 15.109 65.560 ( -67.038 -115.748 39.681) 139.522======================= Grid point 1561 (440/489) =======================q-point: ( 0.47 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 13.043 14.930 3.296) 20.097 2.248 ( 19.972 22.974 7.500) 31.352 4.472 ( -1.147 -5.338 15.755) 16.674 4.589 ( -1.031 1.867 1.220) 2.457 5.306 ( 4.231 5.439 24.599) 25.546 6.833 ( 0.330 1.980 0.331) 2.035 6.947 ( -0.862 0.067 0.292) 0.913 7.436 ( -5.430 -9.757 -29.789) 31.813 19.316 ( -2.332 -3.034 0.660) 3.883 34.936 ( 1.152 2.816 0.611) 3.103 35.452 ( 12.521 13.017 -1.118) 18.096 63.183 ( -98.500 -113.198 54.661) 159.699======================= Grid point 1562 (441/489) =======================q-point: ( 0.53 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 10.919 17.217 1.086) 20.417 2.850 ( 22.763 17.266 9.162) 30.003 4.446 ( -1.139 -6.812 8.677) 11.090 4.604 ( -1.458 3.038 1.927) 3.882 5.515 ( 3.758 3.956 20.040) 20.769 6.775 ( -9.270 -8.727 -8.110) 15.095 6.872 ( 0.347 2.172 -0.126) 2.203 7.273 ( 3.114 0.226 -18.563) 18.823 19.265 ( -1.209 -1.518 0.287) 1.962 34.993 ( 1.495 3.550 0.651) 3.906 35.797 ( 13.980 11.481 -0.952) 18.115 60.603 (-106.072 -101.426 54.811) 156.661======================= Grid point 1563 (442/489) =======================q-point: ( 0.59 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.386 ( 8.226 17.809 -0.671) 19.629 3.417 ( 21.085 12.124 11.766) 27.018 4.366 ( -1.772 -9.802 1.205) 10.034 4.589 ( -4.237 3.334 -2.323) 5.871 5.691 ( 4.045 3.532 15.713) 16.605 6.505 ( -6.329 -6.188 -10.714) 13.897 6.908 ( 0.970 1.968 0.420) 2.234 7.283 ( 2.914 1.149 -10.763) 11.210 19.246 ( -0.083 -0.447 -0.177) 0.487 35.058 ( 1.300 4.189 0.606) 4.428 36.129 ( 13.316 8.792 -0.461) 15.964 58.129 (-100.428 -86.418 45.225) 139.997======================= Grid point 1564 (443/489) =======================q-point: ( 0.65 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( 5.015 17.232 -2.105) 18.070 3.865 ( 11.923 3.055 15.507) 19.797 4.200 ( -1.206 -7.726 -13.452) 15.560 4.524 ( -5.116 3.060 -1.737) 6.210 5.873 ( 6.423 4.305 11.274) 13.671 6.372 ( -0.557 -1.911 -7.414) 7.676 6.943 ( 0.896 1.467 0.428) 1.771 7.280 ( 0.561 -0.262 -6.991) 7.018 19.247 ( 0.531 0.011 -0.513) 0.738 35.121 ( 0.641 4.614 0.495) 4.684 36.408 ( 11.190 5.550 0.047) 12.491 55.923 ( -87.484 -70.579 33.366) 117.253======================= Grid point 1565 (444/489) =======================q-point: ( 0.71 0.35 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 0.989 15.710 -3.169) 16.057 3.734 ( -11.469 -13.778 -12.376) 21.784 4.346 ( 11.373 5.057 4.475) 13.227 4.489 ( -1.343 4.262 1.577) 4.739 6.081 ( 8.004 3.924 6.198) 10.857 6.352 ( 1.697 -0.427 -5.214) 5.500 6.970 ( 0.689 0.936 0.370) 1.220 7.241 ( -0.998 -1.202 -4.120) 4.407 19.256 ( 0.667 0.035 -0.700) 0.968 35.172 ( -0.341 4.747 0.369) 4.774 36.613 ( 8.154 2.233 0.437) 8.466 54.087 ( -70.207 -54.820 24.710) 92.438======================= Grid point 1577 (445/489) =======================q-point: ( 0.41 0.41 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -0.000 14.399 6.509) 15.802 1.928 ( -0.000 32.444 5.311) 32.876 4.508 ( 0.000 -4.884 15.812) 16.549 4.594 ( -0.000 -0.382 -0.843) 0.925 5.232 ( 0.000 7.147 30.434) 31.262 6.841 ( -0.000 1.800 -0.599) 1.897 6.909 ( -0.000 5.290 -0.039) 5.290 7.573 ( -0.000 -16.147 -29.121) 33.298 19.367 ( 0.000 -4.825 0.748) 4.882 34.915 ( -0.000 2.161 0.193) 2.170 35.221 ( -0.000 16.299 -0.415) 16.304 65.022 ( 0.000 -136.722 39.823) 142.403======================= Grid point 1578 (446/489) =======================q-point: ( 0.47 0.41 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( 11.618 15.757 4.925) 20.188 2.323 ( 6.447 30.712 5.459) 31.852 4.508 ( -1.597 -5.219 13.542) 14.600 4.595 ( 0.931 0.006 -0.738) 1.188 5.431 ( 1.154 5.788 26.936) 27.575 6.854 ( -0.196 2.031 -0.337) 2.068 6.961 ( -0.172 1.628 -0.801) 1.822 7.265 ( -2.358 -13.168 -27.808) 30.859 19.315 ( -1.155 -3.873 0.759) 4.112 34.948 ( 1.014 2.814 0.219) 2.999 35.438 ( 5.828 16.918 -0.551) 17.902 63.403 ( -48.060 -137.657 44.731) 152.513======================= Grid point 1579 (447/489) =======================q-point: ( 0.53 0.41 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( 13.882 18.402 2.653) 23.203 2.779 ( 11.989 24.425 6.659) 28.012 4.459 ( -3.182 -7.303 10.096) 12.860 4.619 ( 1.564 0.784 -1.015) 2.022 5.607 ( 1.220 4.528 22.030) 22.523 6.771 ( -7.386 -12.120 -13.915) 19.877 6.888 ( 0.158 1.960 -1.595) 2.532 7.158 ( 3.624 2.371 -10.943) 11.769 19.268 ( -1.007 -2.257 0.498) 2.521 35.007 ( 1.804 3.899 0.348) 4.310 35.724 ( 9.071 14.988 -0.561) 17.529 61.231 ( -73.647 -126.225 43.334) 152.429======================= Grid point 1580 (448/489) =======================q-point: ( 0.59 0.41 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( 9.935 21.967 0.496) 24.115 3.258 ( 16.810 16.359 8.642) 24.998 4.334 ( -4.842 -11.123 4.128) 12.814 4.637 ( -0.190 1.318 -2.833) 3.131 5.752 ( 1.397 3.866 16.899) 17.392 6.479 ( -5.432 -8.693 -14.507) 17.763 6.916 ( 0.710 2.197 -0.344) 2.334 7.211 ( 3.017 2.465 -6.067) 7.210 19.242 ( -0.305 -0.905 0.092) 0.959 35.085 ( 1.787 5.228 0.425) 5.542 36.019 ( 10.316 11.347 -0.359) 15.339 58.903 ( -81.875 -109.042 34.980) 140.773======================= Grid point 1581 (449/489) =======================q-point: ( 0.65 0.41 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.796 ( 4.511 24.232 -1.116) 24.674 3.725 ( 17.125 8.132 12.945) 22.956 4.107 ( -5.939 -12.947 -8.395) 16.534 4.610 ( -2.985 1.583 -2.933) 4.474 5.886 ( 2.858 4.021 12.023) 12.995 6.319 ( -0.583 -3.351 -9.609) 10.194 6.946 ( 0.695 1.638 -0.162) 1.786 7.242 ( 1.201 0.695 -3.842) 4.085 19.237 ( 0.287 -0.208 -0.259) 0.439 35.169 ( 0.961 6.551 0.414) 6.634 36.282 ( 10.052 6.844 -0.089) 12.161 56.679 ( -78.337 -89.907 24.285) 121.696======================= Grid point 1582 (450/489) =======================q-point: ( 0.71 0.41 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.062 ( -0.686 24.513 -2.337) 24.633 3.723 ( -10.004 -16.367 -6.507) 20.256 4.188 ( 15.965 7.253 2.514) 17.715 4.563 ( -2.801 2.265 -0.766) 3.683 6.033 ( 4.986 3.505 7.364) 9.559 6.285 ( 2.230 -1.037 -6.259) 6.725 6.970 ( 0.592 0.950 -0.070) 1.121 7.233 ( -0.649 -0.829 -1.815) 2.098 19.242 ( 0.545 -0.083 -0.481) 0.731 35.245 ( -0.465 7.592 0.347) 7.614 36.487 ( 8.709 2.247 0.152) 8.995 54.732 ( -67.067 -70.801 16.036) 98.832======================= Grid point 1595 (451/489) =======================q-point: ( 0.47 0.47 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( -0.000 16.135 5.171) 16.944 2.614 ( -0.000 32.426 4.706) 32.766 4.525 ( 0.000 -6.196 12.057) 13.555 4.575 ( -0.000 -0.723 -1.202) 1.403 5.590 ( 0.000 5.382 24.327) 24.915 6.872 ( -0.000 1.966 -0.752) 2.105 6.922 ( -0.000 -12.019 -13.833) 18.325 7.090 ( -0.000 0.261 -12.820) 12.823 19.290 ( 0.000 -3.476 0.783) 3.563 34.964 ( -0.000 2.679 -0.056) 2.680 35.568 ( -0.000 18.826 -0.196) 18.827 62.575 ( 0.000 -145.606 39.492) 150.867======================= Grid point 1596 (452/489) =======================q-point: ( 0.53 0.47 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 11.930 16.459 4.116) 20.741 2.963 ( 2.342 29.489 4.928) 29.990 4.476 ( -2.726 -8.896 9.531) 13.319 4.580 ( 1.979 -0.494 -1.395) 2.472 5.735 ( 0.039 4.689 19.762) 20.311 6.657 ( -3.558 -14.843 -19.333) 24.632 6.894 ( 0.548 2.000 -0.959) 2.284 7.121 ( 1.649 5.086 -3.737) 6.524 19.260 ( -0.457 -2.248 0.634) 2.380 35.008 ( 1.928 3.178 -0.057) 3.717 35.781 ( 3.350 17.880 -0.077) 18.191 61.005 ( -35.044 -139.464 33.239) 147.591======================= Grid point 1597 (453/489) =======================q-point: ( 0.59 0.47 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.419 ( 16.755 18.095 2.485) 24.786 3.304 ( 4.636 23.342 6.000) 24.542 4.329 ( -5.756 -12.782 4.402) 14.693 4.611 ( 2.333 -0.097 -1.643) 2.855 5.851 ( -0.025 4.170 14.285) 14.881 6.400 ( -3.328 -9.237 -14.522) 17.529 6.921 ( 0.781 1.921 -0.721) 2.195 7.182 ( 1.804 3.581 -2.619) 4.789 19.239 ( -0.312 -0.982 0.349) 1.088 35.090 ( 3.284 4.309 0.045) 5.419 36.015 ( 4.986 14.568 -0.026) 15.397 59.045 ( -54.815 -124.340 23.873) 137.967======================= Grid point 1598 (454/489) =======================q-point: ( 0.65 0.47 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( 13.702 21.980 0.635) 25.909 3.636 ( 9.029 14.482 8.847) 19.223 4.070 ( -8.427 -14.925 -4.237) 17.656 4.628 ( 0.327 -0.095 -1.514) 1.552 5.945 ( 0.788 4.154 8.709) 9.681 6.255 ( -0.798 -3.538 -8.033) 8.814 6.949 ( 0.699 1.460 -0.446) 1.679 7.223 ( 1.013 1.521 -1.609) 2.434 19.232 ( 0.011 -0.213 0.053) 0.220 35.199 ( 3.357 5.996 0.127) 6.873 36.225 ( 5.612 9.614 -0.000) 11.132 56.996 ( -61.365 -104.795 13.502) 122.188======================= Grid point 1599 (455/489) =======================q-point: ( 0.71 0.47 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.292 ( 5.085 26.519 -0.994) 27.021 3.708 ( -10.093 -17.379 -2.124) 20.209 4.002 ( 14.356 9.728 1.114) 17.377 4.609 ( -1.576 0.007 -0.674) 1.714 6.038 ( 2.247 3.570 4.626) 6.261 6.217 ( 1.321 -0.869 -4.106) 4.400 6.969 ( 0.476 0.803 -0.108) 0.940 7.230 ( -0.257 -0.335 -0.431) 0.603 19.233 ( 0.225 -0.020 -0.171) 0.284 35.316 ( 2.044 7.964 0.157) 8.223 36.388 ( 5.705 3.889 0.013) 6.904 55.085 ( -57.818 -84.049 5.544) 102.166======================= Grid point 1613 (456/489) =======================q-point: ( 0.53 0.53 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( -0.000 15.648 4.281) 16.223 3.260 ( -0.000 29.027 4.487) 29.372 4.442 ( 0.000 -11.569 8.100) 14.123 4.546 ( -0.000 -1.034 -1.584) 1.892 5.855 ( 0.000 4.391 14.592) 15.239 6.469 ( -0.000 -12.276 -16.202) 20.327 6.904 ( -0.000 1.927 -0.813) 2.091 7.148 ( -0.000 4.909 -1.830) 5.239 19.247 ( 0.000 -1.545 0.648) 1.676 35.017 ( -0.000 2.870 -0.251) 2.881 35.937 ( -0.000 18.292 0.181) 18.293 60.034 ( 0.000 -139.741 23.253) 141.662======================= Grid point 1614 (457/489) =======================q-point: ( 0.59 0.53 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 12.512 15.179 3.570) 19.992 3.546 ( -0.372 25.164 4.996) 25.658 4.303 ( -4.428 -14.461 3.949) 15.631 4.554 ( 2.687 -1.148 -0.917) 3.062 5.940 ( -0.135 3.894 6.848) 7.879 6.307 ( -1.374 -6.634 -8.109) 10.567 6.924 ( 0.552 1.784 -0.763) 2.018 7.190 ( 0.605 3.471 -1.068) 3.682 19.237 ( -0.173 -0.631 0.535) 0.845 35.070 ( 2.842 3.184 -0.256) 4.276 36.120 ( 1.098 16.229 0.219) 16.267 58.551 ( -25.556 -129.385 12.496) 132.475======================= Grid point 1615 (458/489) =======================q-point: ( 0.65 0.53 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 19.723 15.554 2.402) 25.233 3.781 ( -0.450 17.774 8.812) 19.844 4.052 ( -7.975 -13.645 -4.323) 16.385 4.591 ( 2.727 -1.356 0.032) 3.046 5.991 ( 0.639 3.887 -1.313) 4.153 6.230 ( -1.478 -1.446 0.804) 2.218 6.948 ( 0.692 1.389 -0.468) 1.621 7.222 ( 0.463 1.508 -0.280) 1.602 19.233 ( -0.163 0.009 0.357) 0.392 35.173 ( 5.091 4.128 -0.201) 6.558 36.281 ( 0.978 12.232 0.128) 12.272 56.822 ( -39.890 -112.256 2.128) 119.151======================= Grid point 1631 (459/489) =======================q-point: ( 0.59 0.59 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -0.000 13.739 3.741) 14.239 3.809 ( -0.000 21.943 5.639) 22.656 4.213 ( 0.000 -15.700 3.299) 16.043 4.508 ( -0.000 -1.255 -1.921) 2.295 5.984 ( -0.000 3.631 -3.385) 4.964 6.264 ( 0.000 -2.063 2.308) 3.096 6.933 ( -0.000 1.713 -0.791) 1.886 7.213 ( -0.000 2.336 0.025) 2.336 19.238 ( 0.000 -0.082 0.614) 0.619 35.070 ( -0.000 2.718 -0.356) 2.742 36.273 ( -0.000 15.451 0.223) 15.453 57.538 ( 0.000 -124.209 1.218) 124.215======================= Grid point 1632 (460/489) =======================q-point: (-0.35 -0.41 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 12.947 12.571 3.241) 18.335 3.973 ( -4.344 -10.299 21.476) 24.211 4.061 ( -2.746 12.640 -14.924) 19.750 4.519 ( 3.256 -1.677 -0.741) 3.737 6.002 ( 0.315 5.118 -7.663) 9.220 6.272 ( -1.132 0.717 6.826) 6.957 6.950 ( 0.451 1.440 -0.599) 1.624 7.231 ( 0.012 0.658 1.122) 1.301 19.240 ( -0.170 0.333 0.587) 0.696 35.126 ( 3.656 2.812 -0.355) 4.626 36.408 ( -0.771 12.715 0.062) 12.738 56.195 ( -18.188 -111.140 -8.859) 112.967======================= Grid point 1649 (461/489) =======================q-point: (-0.35 -0.35 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( -0.000 10.628 3.496) 11.188 3.913 ( 0.000 -19.513 14.145) 24.101 4.223 ( -0.000 18.274 -5.599) 19.112 4.465 ( -0.000 -1.226 -2.193) 2.512 6.030 ( -0.000 7.822 -7.613) 10.915 6.323 ( 0.000 1.392 6.790) 6.931 6.957 ( -0.000 1.350 -0.721) 1.531 7.241 ( 0.000 -0.571 2.823) 2.880 19.249 ( 0.000 0.570 0.704) 0.906 35.116 ( -0.000 2.228 -0.373) 2.259 36.536 ( -0.000 11.109 -0.170) 11.110 55.232 ( 0.000 -102.349 -18.266) 103.966======================= Grid point 1849 (462/489) =======================q-point: ( 0.35 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 0.000 -0.000 7.386) 7.386 1.008 ( 0.000 -0.000 7.386) 7.386 4.599 ( -0.000 0.000 -0.428) 0.428 4.599 ( -0.000 0.000 -0.428) 0.428 4.876 ( 0.000 -0.000 53.728) 53.728 6.792 ( -0.000 0.000 -0.203) 0.203 6.792 ( -0.000 0.000 -0.203) 0.203 8.059 ( -0.000 0.000 -30.595) 30.595 19.495 ( 0.000 -0.000 0.018) 0.018 34.863 ( 0.000 -0.000 0.486) 0.486 34.863 ( 0.000 -0.000 0.486) 0.486 68.133 ( -0.000 0.000 -1.333) 1.333======================= Grid point 1850 (463/489) =======================q-point: ( 0.41 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 9.754 5.632 4.964) 12.309 1.284 ( 20.635 11.914 6.752) 24.766 4.587 ( -0.704 -0.406 -0.268) 0.856 4.587 ( -1.218 -0.703 4.950) 5.146 5.132 ( 2.759 1.593 44.972) 45.085 6.789 ( 0.313 0.181 0.134) 0.386 6.838 ( 3.373 1.947 -0.485) 3.924 7.835 ( -7.691 -4.440 -31.093) 32.336 19.457 ( -3.144 -1.815 0.287) 3.642 34.871 ( 0.737 0.425 0.575) 1.027 34.970 ( 8.733 5.042 -0.083) 10.084 67.261 ( -73.606 -42.496 12.456) 85.901======================= Grid point 1851 (464/489) =======================q-point: ( 0.47 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 13.755 7.942 2.494) 16.078 1.879 ( 27.728 16.009 6.381) 32.647 4.566 ( -1.095 -0.632 -0.010) 1.264 4.594 ( -0.819 -0.473 8.430) 8.483 5.369 ( 2.872 1.658 35.622) 35.776 6.807 ( 1.085 0.627 0.492) 1.346 6.921 ( 3.325 1.920 -0.185) 3.844 7.475 ( -11.287 -6.517 -31.300) 33.906 19.374 ( -3.901 -2.252 0.566) 4.539 34.901 ( 1.620 0.935 0.655) 1.982 35.235 ( 14.251 8.228 -0.751) 16.473 65.170 (-114.238 -65.955 32.527) 135.862======================= Grid point 1852 (465/489) =======================q-point: ( 0.53 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 14.810 8.551 0.442) 17.107 2.547 ( 28.112 16.230 6.906) 33.187 4.539 ( -1.338 -0.773 0.424) 1.603 4.608 ( -1.604 -0.926 7.867) 8.082 5.564 ( 2.528 1.459 27.044) 27.201 6.840 ( 1.580 0.912 0.750) 1.972 6.882 ( -9.177 -5.299 -8.305) 13.464 7.184 ( 0.200 0.116 -21.435) 21.436 19.299 ( -2.733 -1.578 0.395) 3.180 34.948 ( 2.250 1.299 0.682) 2.686 35.584 ( 16.339 9.433 -0.909) 18.888 62.557 (-127.057 -73.356 40.353) 152.161======================= Grid point 1853 (466/489) =======================q-point: ( 0.59 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.123 ( 14.092 8.136 -1.242) 16.319 3.190 ( 25.436 14.686 8.218) 30.499 4.510 ( -1.410 -0.814 1.019) 1.920 4.554 ( -5.725 -3.306 1.189) 6.717 5.718 ( 2.487 1.436 19.471) 19.681 6.568 ( -9.877 -5.702 -15.495) 19.240 6.882 ( 1.715 0.990 0.852) 2.155 7.204 ( 4.026 2.325 -8.872) 10.016 19.256 ( -1.100 -0.635 -0.056) 1.271 35.006 ( 2.521 1.456 0.632) 2.979 35.947 ( 15.701 9.065 -0.629) 18.140 59.872 (-122.629 -70.800 35.903) 146.081======================= Grid point 1854 (467/489) =======================q-point: ( 0.65 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.414 ( 12.161 7.021 -2.579) 14.277 3.754 ( 20.487 11.828 10.730) 25.976 4.330 ( -12.179 -7.032 -11.215) 17.988 4.485 ( -1.332 -0.769 1.664) 2.266 5.859 ( 4.202 2.426 13.184) 14.049 6.369 ( -2.769 -1.599 -10.653) 11.122 6.923 ( 1.539 0.889 0.822) 1.958 7.244 ( 1.892 1.092 -5.347) 5.776 19.245 ( 0.045 0.026 -0.464) 0.467 35.065 ( 2.401 1.386 0.515) 2.820 36.276 ( 13.212 7.628 -0.208) 15.257 57.376 (-108.366 -62.565 26.340) 127.872======================= Grid point 1867 (468/489) =======================q-point: ( 0.41 0.41 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 0.000 8.475 6.149) 10.470 1.359 ( -0.000 25.481 4.225) 25.829 4.591 ( 0.000 -0.456 2.564) 2.604 4.597 ( -0.000 -0.160 -0.548) 0.571 5.325 ( 0.000 1.057 45.159) 45.171 6.808 ( -0.000 1.267 -0.462) 1.349 6.820 ( -0.000 3.338 0.024) 3.338 7.698 ( -0.000 -9.231 -31.305) 32.638 19.457 ( 0.000 -3.624 0.272) 3.634 34.882 ( -0.000 1.283 0.230) 1.303 34.961 ( -0.000 9.524 0.234) 9.527 67.309 ( 0.000 -80.076 9.874) 80.682======================= Grid point 1868 (469/489) =======================q-point: ( 0.47 0.41 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 10.547 11.722 3.906) 16.245 1.757 ( 12.932 27.595 3.999) 30.736 4.582 ( -1.038 -0.099 0.558) 1.183 4.610 ( 0.721 -0.518 3.302) 3.419 5.517 ( 0.456 0.549 38.462) 38.468 6.814 ( -0.160 1.792 0.033) 1.800 6.890 ( 2.928 3.822 -0.312) 4.824 7.403 ( -6.212 -11.856 -30.605) 33.404 19.399 ( -2.202 -4.010 0.480) 4.600 34.902 ( 0.546 1.977 0.336) 2.079 35.142 ( 7.770 12.436 -0.249) 14.666 65.940 ( -58.545 -101.175 20.720) 118.715======================= Grid point 1869 (470/489) =======================q-point: ( 0.53 0.41 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 11.479 15.331 1.132) 19.186 2.327 ( 21.335 23.200 4.722) 31.871 4.561 ( -1.813 -0.492 1.646) 2.497 4.630 ( 0.622 -1.361 3.362) 3.680 5.675 ( 0.350 0.378 29.983) 29.988 6.838 ( 0.636 1.730 0.402) 1.887 6.917 ( -5.539 -5.480 -8.559) 11.574 7.084 ( -0.386 -2.621 -20.385) 20.557 19.323 ( -2.444 -3.030 0.428) 3.916 34.943 ( 1.314 2.709 0.473) 3.048 35.442 ( 12.281 13.029 -0.584) 17.914 63.704 ( -92.109 -106.071 27.522) 143.152======================= Grid point 1870 (471/489) =======================q-point: ( 0.59 0.41 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 9.861 17.499 -0.906) 20.107 2.945 ( 24.311 18.076 5.462) 30.783 4.515 ( -2.858 -4.063 3.205) 5.912 4.615 ( -1.938 -1.109 -0.705) 2.341 5.794 ( 0.331 0.515 21.134) 21.143 6.586 ( -9.242 -9.268 -18.411) 22.589 6.876 ( 1.115 1.865 0.528) 2.236 7.128 ( 4.291 3.339 -5.156) 7.493 19.268 ( -1.449 -1.600 0.069) 2.160 35.000 ( 1.571 3.469 0.514) 3.842 35.788 ( 13.994 11.636 -0.545) 18.208 61.111 (-103.981 -99.839 24.753) 146.263======================= Grid point 1871 (472/489) =======================q-point: ( 0.65 0.41 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 7.446 18.062 -2.330) 19.675 3.534 ( 23.392 13.613 5.902) 27.701 4.355 ( -7.982 -12.297 -3.004) 14.965 4.558 ( -3.780 2.187 -1.704) 4.688 5.888 ( 1.528 1.422 13.251) 13.414 6.345 ( -3.434 -4.044 -11.808) 12.945 6.915 ( 1.184 1.566 0.625) 2.061 7.200 ( 2.768 2.034 -2.942) 4.523 19.243 ( -0.312 -0.496 -0.329) 0.672 35.065 ( 1.306 4.128 0.462) 4.354 36.124 ( 13.473 8.970 -0.314) 16.189 58.525 (-100.498 -87.152 16.505) 134.043======================= Grid point 1885 (473/489) =======================q-point: ( 0.47 0.47 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( -0.000 14.237 4.731) 15.002 1.975 ( -0.000 32.931 1.972) 32.990 4.584 ( -0.000 -0.605 -0.802) 1.005 4.619 ( 0.000 -0.197 4.132) 4.137 5.673 ( 0.000 -0.297 34.393) 34.394 6.832 ( -0.000 1.717 -0.710) 1.858 6.910 ( -0.000 5.180 0.114) 5.181 7.195 ( -0.000 -14.701 -28.483) 32.053 19.375 ( 0.000 -4.622 0.529) 4.652 34.916 ( -0.000 2.095 -0.064) 2.096 35.219 ( -0.000 16.078 0.079) 16.078 65.395 ( 0.000 -123.733 19.305) 125.229======================= Grid point 1886 (474/489) =======================q-point: ( 0.53 0.47 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 10.314 15.992 3.206) 19.298 2.369 ( 7.384 31.330 1.685) 32.232 4.582 ( 0.555 -0.152 -0.505) 0.766 4.619 ( -0.989 -2.358 4.225) 4.938 5.799 ( -0.264 -0.466 26.765) 26.770 6.847 ( -0.521 -0.247 -2.377) 2.446 6.866 ( -4.115 -11.691 -17.585) 21.514 7.005 ( 2.127 4.153 -5.265) 7.035 19.323 ( -1.231 -3.803 0.477) 4.026 34.949 ( 1.234 2.712 -0.026) 2.979 35.435 ( 5.581 16.924 -0.041) 17.820 63.808 ( -45.420 -130.570 19.114) 139.559======================= Grid point 1887 (475/489) =======================q-point: ( 0.59 0.47 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( 12.163 19.082 0.923) 22.648 2.835 ( 13.592 25.053 2.154) 28.584 4.548 ( -4.197 -5.968 4.273) 8.455 4.601 ( 1.294 -0.369 -1.755) 2.211 5.882 ( -0.500 -0.139 16.811) 16.819 6.542 ( -6.575 -11.917 -15.820) 20.869 6.880 ( 0.880 2.038 -0.138) 2.224 7.089 ( 3.020 4.684 -1.759) 5.845 19.272 ( -1.201 -2.262 0.210) 2.570 35.010 ( 2.024 3.777 0.122) 4.287 35.719 ( 8.892 15.149 -0.153) 17.567 61.597 ( -72.076 -124.382 14.137) 144.449======================= Grid point 1888 (476/489) =======================q-point: ( 0.65 0.47 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.443 ( 8.534 22.691 -1.116) 24.268 3.328 ( 18.513 17.371 2.046) 25.469 4.362 ( -8.007 -13.078 -0.154) 15.336 4.607 ( -0.755 1.412 -1.261) 2.038 5.931 ( 0.434 0.933 6.549) 6.630 6.314 ( -3.793 -6.080 -6.071) 9.392 6.916 ( 1.011 1.785 0.208) 2.062 7.171 ( 2.506 3.115 -0.847) 4.087 19.242 ( -0.536 -0.886 -0.120) 1.043 35.089 ( 1.930 5.121 0.204) 5.476 36.016 ( 10.266 11.522 -0.161) 15.433 59.162 ( -81.331 -109.667 5.567) 136.648======================= Grid point 1903 (477/489) =======================q-point: ( 0.53 0.53 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( -0.000 16.147 3.665) 16.558 2.643 ( -0.000 33.557 -0.036) 33.557 4.560 ( -0.000 -0.993 -1.120) 1.497 4.626 ( 0.000 -3.653 4.622) 5.891 5.894 ( 0.000 -0.657 18.280) 18.292 6.672 ( -0.000 -15.497 -16.653) 22.748 6.862 ( -0.000 1.948 -0.862) 2.130 7.033 ( -0.000 6.030 -0.642) 6.064 19.298 ( 0.000 -3.423 0.469) 3.455 34.961 ( -0.000 2.647 -0.317) 2.666 35.569 ( -0.000 18.830 0.261) 18.832 62.905 ( 0.000 -141.589 12.403) 142.131======================= Grid point 1904 (478/489) =======================q-point: ( 0.59 0.53 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 11.078 16.720 2.697) 20.238 2.987 ( 2.978 30.780 -0.941) 30.938 4.542 ( -1.422 -5.518 -0.445) 5.716 4.584 ( -0.142 -3.085 3.333) 4.544 5.936 ( -0.315 -0.376 5.105) 5.129 6.456 ( -3.021 -11.906 -5.214) 13.344 6.884 ( 0.686 1.966 -0.689) 2.193 7.100 ( 1.207 5.291 0.070) 5.427 19.266 ( -0.570 -2.207 0.329) 2.303 35.006 ( 2.080 3.133 -0.307) 3.773 35.783 ( 3.218 17.946 0.271) 18.234 61.243 ( -34.526 -138.782 4.078) 143.070======================= Grid point 1921 (479/489) =======================q-point: (-0.41 -0.41 -0.65)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( -0.000 15.816 2.963) 16.091 3.265 ( -0.000 30.676 -3.189) 30.842 4.526 ( -0.000 -1.318 -1.422) 1.939 4.528 ( 0.000 -10.697 4.843) 11.742 5.927 ( -0.000 -0.031 -8.362) 8.362 6.384 ( 0.000 -8.794 7.545) 11.587 6.893 ( -0.000 1.965 -0.890) 2.157 7.145 ( -0.000 4.801 1.493) 5.028 19.254 ( 0.000 -1.471 0.366) 1.516 35.013 ( -0.000 2.885 -0.473) 2.923 35.941 ( -0.000 18.269 0.412) 18.274 60.142 ( 0.000 -140.492 -6.319) 140.635======================= Grid point 2158 (480/489) =======================q-point: ( 0.41 0.41 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 0.000 -0.000 4.558) 4.558 1.085 ( 0.000 -0.000 4.558) 4.558 4.595 ( -0.000 0.000 -0.287) 0.287 4.595 ( -0.000 0.000 -0.287) 0.287 5.518 ( 0.000 -0.000 45.454) 45.454 6.790 ( -0.000 0.000 -0.136) 0.136 6.790 ( -0.000 0.000 -0.136) 0.136 7.655 ( -0.000 0.000 -31.439) 31.439 19.495 ( 0.000 -0.000 0.014) 0.014 34.868 ( 0.000 -0.000 0.321) 0.321 34.868 ( 0.000 -0.000 0.321) 0.321 68.119 ( -0.000 0.000 -0.880) 0.880======================= Grid point 2159 (481/489) =======================q-point: ( 0.47 0.41 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 8.853 5.111 2.144) 10.445 1.355 ( 20.738 11.973 4.327) 24.334 4.585 ( -0.608 -0.351 -0.015) 0.702 4.611 ( 1.227 0.708 0.436) 1.482 5.692 ( -0.781 -0.451 39.284) 39.295 6.792 ( 0.511 0.295 0.283) 0.654 6.831 ( 3.242 1.872 -0.508) 3.778 7.436 ( -7.491 -4.325 -29.684) 30.919 19.459 ( -2.945 -1.700 0.166) 3.404 34.878 ( 0.821 0.474 0.434) 1.042 34.969 ( 8.381 4.838 -0.093) 9.677 67.375 ( -63.502 -36.663 5.733) 73.549======================= Grid point 2160 (482/489) =======================q-point: ( 0.53 0.41 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 13.038 7.528 -0.058) 15.055 1.946 ( 28.158 16.257 4.002) 32.760 4.568 ( -0.940 -0.542 0.354) 1.141 4.647 ( 1.247 0.720 1.389) 2.001 5.816 ( -1.364 -0.788 30.159) 30.200 6.814 ( 1.234 0.712 0.651) 1.567 6.916 ( 3.345 1.931 -0.462) 3.890 7.090 ( -10.974 -6.336 -26.378) 29.264 19.379 ( -3.842 -2.218 0.247) 4.443 34.908 ( 1.679 0.969 0.519) 2.007 35.227 ( 14.006 8.087 -0.482) 16.180 65.462 (-105.143 -60.704 13.695) 122.178======================= Grid point 2161 (483/489) =======================q-point: ( 0.59 0.41 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( 14.280 8.245 -1.742) 16.581 2.617 ( 28.912 16.692 3.857) 33.607 4.547 ( -1.110 -0.641 0.855) 1.540 4.654 ( -1.751 -1.011 0.295) 2.043 5.889 ( -1.387 -0.801 19.076) 19.143 6.677 ( -12.904 -7.450 -16.753) 22.420 6.851 ( 1.644 0.949 0.861) 2.084 7.045 ( 5.217 3.012 -3.180) 6.812 19.301 ( -2.866 -1.655 0.001) 3.309 34.956 ( 2.268 1.309 0.536) 2.673 35.574 ( 16.319 9.422 -0.557) 18.852 62.899 (-122.949 -70.985 13.341) 142.594======================= Grid point 2176 (484/489) =======================q-point: ( 0.47 0.47 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( -0.000 8.752 3.571) 9.452 1.395 ( -0.000 24.887 1.328) 24.923 4.591 ( -0.000 -0.340 -0.427) 0.545 4.607 ( -0.000 1.413 0.575) 1.525 5.846 ( 0.000 -1.555 33.024) 33.060 6.802 ( -0.000 1.074 -0.460) 1.168 6.821 ( -0.000 3.395 0.220) 3.402 7.315 ( -0.000 -8.781 -25.889) 27.338 19.460 ( 0.000 -3.394 0.142) 3.397 34.883 ( -0.000 1.179 -0.002) 1.179 34.964 ( -0.000 9.392 0.255) 9.396 67.396 ( 0.000 -71.109 3.949) 71.218======================= Grid point 2177 (485/489) =======================q-point: ( 0.53 0.47 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 8.528 12.486 1.347) 15.181 1.792 ( 14.453 26.898 1.342) 30.564 4.582 ( -0.437 -0.099 -0.059) 0.452 4.634 ( 0.951 1.006 0.704) 1.553 5.939 ( -1.024 -2.008 22.289) 22.402 6.814 ( 0.413 1.455 0.021) 1.513 6.888 ( 2.703 4.173 -0.027) 4.972 7.057 ( -6.537 -11.558 -19.115) 23.275 19.403 ( -2.186 -3.855 0.175) 4.435 34.904 ( 0.837 1.811 0.118) 1.998 35.140 ( 7.392 12.447 -0.059) 14.476 66.111 ( -54.480 -94.284 6.447) 109.083======================= Grid point 2178 (486/489) =======================q-point: ( 0.59 0.47 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 2457Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 9.957 16.033 -1.118) 18.906 2.368 ( 22.614 22.825 1.695) 32.175 4.573 ( -1.186 0.578 0.727) 1.506 4.648 ( 0.216 -1.651 -0.443) 1.723 5.963 ( -1.456 -1.737 7.793) 8.116 6.729 ( -10.200 -11.839 -7.043) 17.140 6.844 ( 1.106 1.600 0.450) 1.997 6.992 ( 4.062 4.424 -0.964) 6.083 19.326 ( -2.555 -2.994 -0.016) 3.936 34.947 ( 1.516 2.573 0.268) 2.998 35.436 ( 12.058 13.131 -0.270) 17.829 63.904 ( -89.309 -103.116 3.961) 136.472======================= Grid point 2194 (487/489) =======================q-point: ( 0.53 0.53 0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -0.000 14.480 2.529) 14.700 1.980 ( -0.000 32.873 -1.184) 32.894 4.574 ( -0.000 -0.852 -0.638) 1.064 4.648 ( 0.000 1.521 0.980) 1.810 5.993 ( 0.000 -2.471 8.503) 8.855 6.823 ( -0.000 1.586 -0.727) 1.745 6.915 ( -0.000 3.377 1.195) 3.582 6.925 ( -0.000 -12.493 -7.792) 14.724 19.380 ( 0.000 -4.471 0.158) 4.474 34.914 ( -0.000 2.017 -0.312) 2.041 35.222 ( -0.000 16.049 0.318) 16.053 65.533 ( 0.000 -118.731 2.550) 118.759======================= Grid point 2467 (488/489) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 489Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 0.000 -0.000 1.541) 1.541 1.124 ( 0.000 -0.000 1.541) 1.541 4.592 ( -0.000 0.000 -0.101) 0.101 4.592 ( -0.000 0.000 -0.101) 0.101 5.986 ( 0.000 -0.000 23.298) 23.298 6.789 ( -0.000 0.000 -0.048) 0.048 6.789 ( -0.000 0.000 -0.048) 0.048 7.307 ( -0.000 0.000 -18.603) 18.603 19.495 ( 0.000 -0.000 0.005) 0.005 34.871 ( 0.000 -0.000 0.112) 0.112 34.871 ( 0.000 -0.000 0.112) 0.112 68.111 ( -0.000 0.000 -0.307) 0.307======================= Grid point 2468 (489/489) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 8.110 4.682 -0.757) 9.395 1.393 ( 21.079 12.170 1.581) 24.391 4.586 ( -0.461 -0.266 0.231) 0.580 4.612 ( 1.579 0.912 -0.193) 1.834 6.037 ( -1.530 -0.883 8.399) 8.583 6.796 ( 0.726 0.419 0.397) 0.927 6.825 ( 3.074 1.775 -0.404) 3.572 7.162 ( -7.628 -4.404 -7.058) 11.288 19.461 ( -2.870 -1.657 0.013) 3.314 34.882 ( 0.920 0.531 0.234) 1.088 34.967 ( 8.188 4.728 -0.180) 9.457 67.416 ( -59.768 -34.507 0.779) 69.018=================== 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 3/58956 10.0 399.095 399.095 231.511 0.000 -0.000 -0.000 3/58956 20.0 235.948 235.948 139.407 0.000 -0.000 -0.000 3/58956 30.0 142.563 142.563 93.915 -0.000 -0.000 -0.000 3/58956 40.0 90.799 90.799 63.060 -0.000 -0.000 -0.000 3/58956 50.0 64.735 64.735 46.515 -0.000 -0.000 -0.000 3/58956 60.0 61.199 61.199 50.498 -0.000 -0.000 -0.000 3/58956 70.0 123.190 123.190 130.487 -0.000 -0.000 -0.000 3/58956 80.0 359.916 359.916 405.222 -0.000 -0.000 -0.000 3/58956 90.0 805.457 805.457 872.193 -0.000 -0.000 -0.000 3/58956 100.0 1142.226 1142.226 1256.991 -0.000 -0.000 -0.000 3/58956 110.0 1064.636 1064.636 1305.662 -0.000 -0.000 -0.000 3/58956 120.0 781.187 781.187 1033.648 -0.000 -0.000 -0.000 3/58956 130.0 514.133 514.133 691.629 -0.000 -0.000 -0.000 3/58956 140.0 326.654 326.654 436.817 -0.000 -0.000 -0.000 3/58956 150.0 210.390 210.390 278.391 -0.000 -0.000 -0.000 3/58956 160.0 140.623 140.623 183.809 -0.000 -0.000 -0.000 3/58956 170.0 98.176 98.176 126.517 -0.000 -0.000 -0.000 3/58956 180.0 71.522 71.522 90.679 -0.000 -0.000 -0.000 3/58956 190.0 54.173 54.173 67.447 -0.000 -0.000 -0.000 3/58956 200.0 42.476 42.476 51.858 -0.000 -0.000 -0.000 3/58956 210.0 34.330 34.330 41.061 -0.000 -0.000 -0.000 3/58956 220.0 28.484 28.484 33.365 -0.000 -0.000 -0.000 3/58956 230.0 24.174 24.174 27.736 -0.000 -0.000 -0.000 3/58956 240.0 20.919 20.919 23.521 -0.000 -0.000 -0.000 3/58956 250.0 18.405 18.405 20.297 -0.000 -0.000 -0.000 3/58956 260.0 16.425 16.425 17.784 -0.000 -0.000 -0.000 3/58956 270.0 14.837 14.837 15.792 -0.000 -0.000 -0.000 3/58956 280.0 13.543 13.543 14.187 -0.000 -0.000 -0.000 3/58956 290.0 12.472 12.472 12.875 -0.000 -0.000 -0.000 3/58956 300.0 11.575 11.575 11.790 -0.000 -0.000 -0.000 3/58956 310.0 10.813 10.813 10.881 -0.000 -0.000 -0.000 3/58956 320.0 10.160 10.160 10.112 -0.000 -0.000 -0.000 3/58956 330.0 9.595 9.595 9.455 -0.000 -0.000 -0.000 3/58956 340.0 9.101 9.101 8.888 -0.000 -0.000 -0.000 3/58956 350.0 8.666 8.666 8.396 -0.000 -0.000 -0.000 3/58956 360.0 8.281 8.281 7.966 -0.000 -0.000 -0.000 3/58956 370.0 7.936 7.936 7.586 -0.000 -0.000 -0.000 3/58956 380.0 7.627 7.627 7.250 -0.000 -0.000 -0.000 3/58956 390.0 7.348 7.348 6.950 -0.000 -0.000 -0.000 3/58956 400.0 7.095 7.095 6.681 -0.000 -0.000 -0.000 3/58956 410.0 6.864 6.864 6.439 -0.000 -0.000 -0.000 3/58956 420.0 6.653 6.653 6.220 -0.000 -0.000 -0.000 3/58956 430.0 6.459 6.459 6.021 -0.000 -0.000 -0.000 3/58956 440.0 6.280 6.280 5.840 -0.000 -0.000 -0.000 3/58956 450.0 6.114 6.114 5.674 -0.000 -0.000 -0.000 3/58956 460.0 5.961 5.961 5.522 -0.000 -0.000 -0.000 3/58956 470.0 5.818 5.818 5.381 -0.000 -0.000 -0.000 3/58956 480.0 5.684 5.684 5.251 -0.000 -0.000 -0.000 3/58956 490.0 5.559 5.559 5.131 -0.000 -0.000 -0.000 3/58956 500.0 5.442 5.442 5.019 -0.000 -0.000 -0.000 3/58956 510.0 5.332 5.332 4.915 -0.000 -0.000 -0.000 3/58956 520.0 5.228 5.228 4.817 -0.000 -0.000 -0.000 3/58956 530.0 5.131 5.131 4.726 -0.000 -0.000 -0.000 3/58956 540.0 5.038 5.038 4.640 -0.000 -0.000 -0.000 3/58956 550.0 4.950 4.950 4.559 -0.000 -0.000 -0.000 3/58956 560.0 4.867 4.867 4.483 -0.000 -0.000 -0.000 3/58956 570.0 4.788 4.788 4.411 -0.000 -0.000 -0.000 3/58956 580.0 4.713 4.713 4.343 -0.000 -0.000 -0.000 3/58956 590.0 4.641 4.641 4.278 -0.000 -0.000 -0.000 3/58956 600.0 4.572 4.572 4.216 -0.000 -0.000 -0.000 3/58956 610.0 4.506 4.506 4.157 -0.000 -0.000 -0.000 3/58956 620.0 4.443 4.443 4.101 -0.000 -0.000 -0.000 3/58956 630.0 4.383 4.383 4.047 -0.000 -0.000 -0.000 3/58956 640.0 4.325 4.325 3.996 -0.000 -0.000 -0.000 3/58956 650.0 4.269 4.269 3.946 -0.000 -0.000 -0.000 3/58956 660.0 4.215 4.215 3.899 -0.000 -0.000 -0.000 3/58956 670.0 4.163 4.163 3.853 -0.000 -0.000 -0.000 3/58956 680.0 4.113 4.113 3.809 -0.000 -0.000 -0.000 3/58956 690.0 4.065 4.065 3.766 -0.000 -0.000 -0.000 3/58956 700.0 4.018 4.018 3.725 -0.000 -0.000 -0.000 3/58956 710.0 3.973 3.973 3.685 -0.000 -0.000 -0.000 3/58956 720.0 3.929 3.929 3.647 -0.000 -0.000 -0.000 3/58956 730.0 3.887 3.887 3.609 -0.000 -0.000 -0.000 3/58956 740.0 3.845 3.845 3.573 -0.000 -0.000 -0.000 3/58956 750.0 3.805 3.805 3.538 -0.000 -0.000 -0.000 3/58956 760.0 3.766 3.766 3.503 -0.000 -0.000 -0.000 3/58956 770.0 3.728 3.728 3.470 -0.000 -0.000 -0.000 3/58956 780.0 3.691 3.691 3.437 -0.000 -0.000 -0.000 3/58956 790.0 3.655 3.655 3.406 -0.000 -0.000 -0.000 3/58956 800.0 3.620 3.620 3.375 -0.000 -0.000 -0.000 3/58956 810.0 3.586 3.586 3.345 -0.000 -0.000 -0.000 3/58956 820.0 3.553 3.553 3.315 -0.000 -0.000 -0.000 3/58956 830.0 3.520 3.520 3.286 -0.000 -0.000 -0.000 3/58956 840.0 3.488 3.488 3.258 -0.000 -0.000 -0.000 3/58956 850.0 3.457 3.457 3.230 -0.000 -0.000 -0.000 3/58956 860.0 3.426 3.426 3.203 -0.000 -0.000 -0.000 3/58956 870.0 3.397 3.397 3.176 -0.000 -0.000 -0.000 3/58956 880.0 3.367 3.367 3.150 -0.000 -0.000 -0.000 3/58956 890.0 3.339 3.339 3.125 -0.000 -0.000 -0.000 3/58956 900.0 3.311 3.311 3.099 -0.000 -0.000 -0.000 3/58956 910.0 3.283 3.283 3.075 -0.000 -0.000 -0.000 3/58956 920.0 3.256 3.256 3.051 -0.000 -0.000 -0.000 3/58956 930.0 3.230 3.230 3.027 -0.000 -0.000 -0.000 3/58956 940.0 3.204 3.204 3.003 -0.000 -0.000 -0.000 3/58956 950.0 3.178 3.178 2.980 -0.000 -0.000 -0.000 3/58956 960.0 3.153 3.153 2.958 -0.000 -0.000 -0.000 3/58956 970.0 3.129 3.129 2.935 -0.000 -0.000 -0.000 3/58956 980.0 3.104 3.104 2.913 -0.000 -0.000 -0.000 3/58956 990.0 3.081 3.081 2.892 -0.000 -0.000 -0.000 3/58956 1000.0 3.057 3.057 2.871 -0.000 -0.000 -0.000 3/58956Thermal conductivity related properties were written into "kappa-m171717.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:37:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|