# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e7fa2874-f92a-4178-874a-cb13858b85f6/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 CsNdS2 / R-3m (166) / materials id 9081](https://mdr.nims.go.jp/datasets/e16f35f4-134d-4acb-ba09-c3e9b1204cf7) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:12:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.091177235916982 1.207341740079884 7.960515753333325 b -2.091177235916977 1.207341740079884 7.960515753333325 c 0.000000000000002 -2.414683480159773 7.960515753333325Atomic positions (fractional): *1 S 0.22955068899753 0.22955068899753 0.22955068899753 32.065 2 S 0.77044931100247 0.77044931100247 0.77044931100247 32.065 *3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.182354471833959 0.000000000000000 0.000000000000000 b -2.091177235916979 3.622025220239657 0.000000000000000 c 0.000000000000000 0.000000000000000 23.881547259999998Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.22955068899753 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.10378264433580 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.56288402233087 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.43711597766913 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.89621735566420 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.77044931100247 32.065 > 2 *7 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 8 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 3 9 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 3 *10 Nd 0.33333333333333 0.66666666666667 0.16666666666667 144.242 > 4 11 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 12 Nd 0.66666666666667 0.33333333333333 0.83333333333333 144.242 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.547063415501876 0.000000000000000 0.000000000000000 b -6.273531707750937 10.866075660718971 0.000000000000000 c 0.000000000000000 0.000000000000000 23.881547259999998Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.22955068899753 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.22955068899753 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.22955068899753 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.22955068899753 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.22955068899753 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.22955068899753 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.22955068899753 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.22955068899753 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.22955068899753 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10378264433580 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.10378264433580 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.10378264433580 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.10378264433580 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.10378264433580 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.10378264433580 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.10378264433580 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.10378264433580 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.10378264433580 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.56288402233087 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56288402233087 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56288402233087 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56288402233087 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56288402233087 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56288402233087 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56288402233087 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56288402233087 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56288402233087 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43711597766913 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.43711597766913 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.43711597766913 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.43711597766913 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.43711597766913 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.43711597766913 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.43711597766913 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.43711597766913 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.43711597766913 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.89621735566420 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89621735566420 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89621735566420 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89621735566420 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89621735566420 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89621735566420 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89621735566420 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89621735566420 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89621735566420 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.77044931100247 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.77044931100247 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.77044931100247 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.77044931100247 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.77044931100247 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.77044931100247 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.77044931100247 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.77044931100247 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.77044931100247 32.065 > 2 *55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 3 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 3 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 3 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 3 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 3 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 3 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 3 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 3 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 3 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 3 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 3 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 3 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 3 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 3 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 3 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 3 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 3 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 3 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 3 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 3 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 3 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 3 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 3 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 3 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 3 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 3 *82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 4 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 4 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 4 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 4 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 4 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 4 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 4 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 4 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 4 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 4 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 4 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 4 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 4 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 4 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 4 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 4 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 4 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 4 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 4 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 4 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 4 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 4 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 4 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 4 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 4 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7060967 0.0000000 0.0000000 0.0000000 5.7060967 0.0000000 0.0000000 0.0000000 4.6454958-------------------------- Born effective charges -------------------------- 1 S -2.8714005 -0.0000000 0.0000000 0.0000000 -2.8714005 0.0000000 0.0000000 0.0000000 -2.1234390 2 S -2.8714005 -0.0000000 0.0000000 0.0000000 -2.8714005 0.0000000 0.0000000 0.0000000 -2.1234390 3 Cs 1.1219310 0.0000000 0.0000000 0.0000000 1.1219310 0.0000000 0.0000000 0.0000000 2.1581137 4 Nd 4.6208700 -0.0000000 0.0000000 0.0000000 4.6208700 0.0000000 0.0000000 0.0000000 2.0887643----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 166Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.112Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.119--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 166Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:12:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.091177235916982 1.207341740079884 7.960515753333325 b -2.091177235916977 1.207341740079884 7.960515753333325 c 0.000000000000002 -2.414683480159773 7.960515753333325Atomic positions (fractional): 1 S 0.22955068899753 0.22955068899753 0.22955068899753 32.065 2 S 0.77044931100247 0.77044931100247 0.77044931100247 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 12.547063415501876 0.000000000000000 0.000000000000000 b -6.273531707750937 10.866075660718971 0.000000000000000 c 0.000000000000000 0.000000000000000 23.881547259999998Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.22955068899753 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.22955068899753 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.22955068899753 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.22955068899753 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.22955068899753 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.22955068899753 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.22955068899753 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.22955068899753 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.22955068899753 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10378264433580 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10378264433580 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10378264433580 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10378264433580 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10378264433580 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10378264433580 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10378264433580 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10378264433580 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10378264433580 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56288402233087 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56288402233087 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56288402233087 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56288402233087 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56288402233087 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56288402233087 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56288402233087 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56288402233087 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56288402233087 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43711597766913 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43711597766913 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43711597766913 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43711597766913 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43711597766913 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43711597766913 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43711597766913 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43711597766913 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43711597766913 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89621735566420 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89621735566420 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89621735566420 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89621735566420 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89621735566420 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89621735566420 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89621735566420 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89621735566420 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89621735566420 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.77044931100247 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.77044931100247 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.77044931100247 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.77044931100247 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.77044931100247 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.77044931100247 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.77044931100247 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.77044931100247 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.77044931100247 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7060967 0.0000000 0.0000000 0.0000000 5.7060967 0.0000000 0.0000000 0.0000000 4.6454958-------------------------- Born effective charges -------------------------- 1 S -2.8714005 -0.0000000 0.0000000 0.0000000 -2.8714005 0.0000000 0.0000000 0.0000000 -2.1234390 2 S -2.8714005 -0.0000000 0.0000000 0.0000000 -2.8714005 0.0000000 0.0000000 0.0000000 -2.1234390 3 Cs 1.1219310 0.0000000 0.0000000 0.0000000 1.1219310 0.0000000 0.0000000 0.0000000 2.1581137 4 Nd 4.6208700 -0.0000000 0.0000000 0.0000000 4.6208700 0.0000000 0.0000000 0.0000000 2.0887643----------------------------------------------------------------------------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[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]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 (xyx) -0.00000000 (xyx) -0.00000000 (xxy)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 2026-01-07 23:12:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:28]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.091177235916982 1.207341740079884 7.960515753333325 b -2.091177235916977 1.207341740079884 7.960515753333325 c 0.000000000000002 -2.414683480159773 7.960515753333325Atomic positions (fractional): 1 S 0.22955068899753 0.22955068899753 0.22955068899753 32.065 2 S 0.77044931100247 0.77044931100247 0.77044931100247 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 12.547063415501876 0.000000000000000 0.000000000000000 b -6.273531707750937 10.866075660718971 0.000000000000000 c 0.000000000000000 0.000000000000000 23.881547259999998Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.22955068899753 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.22955068899753 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.22955068899753 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.22955068899753 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.22955068899753 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.22955068899753 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.22955068899753 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.22955068899753 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.22955068899753 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10378264433580 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10378264433580 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10378264433580 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10378264433580 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10378264433580 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10378264433580 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10378264433580 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10378264433580 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10378264433580 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56288402233087 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56288402233087 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56288402233087 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56288402233087 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56288402233087 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56288402233087 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56288402233087 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56288402233087 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56288402233087 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43711597766913 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43711597766913 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43711597766913 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43711597766913 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43711597766913 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43711597766913 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43711597766913 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43711597766913 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43711597766913 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89621735566420 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89621735566420 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89621735566420 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89621735566420 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89621735566420 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89621735566420 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89621735566420 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89621735566420 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89621735566420 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.77044931100247 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.77044931100247 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.77044931100247 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.77044931100247 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.77044931100247 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.77044931100247 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.77044931100247 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.77044931100247 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.77044931100247 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.7060967 0.0000000 0.0000000 0.0000000 5.7060967 0.0000000 0.0000000 0.0000000 4.6454958-------------------------- Born effective charges -------------------------- 1 S -2.8714005 -0.0000000 0.0000000 0.0000000 -2.8714005 0.0000000 0.0000000 0.0000000 -2.1234390 2 S -2.8714005 -0.0000000 0.0000000 0.0000000 -2.8714005 0.0000000 0.0000000 0.0000000 -2.1234390 3 Cs 1.1219310 0.0000000 0.0000000 0.0000000 1.1219310 0.0000000 0.0000000 0.0000000 2.1581137 4 Nd 4.6208700 -0.0000000 0.0000000 0.0000000 4.6208700 0.0000000 0.0000000 0.0000000 2.0887643----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 301, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.390 ( 17.676 10.205 -5.336) 21.096 0.409 ( 18.154 10.481 -4.395) 21.419 0.812 ( 31.859 18.394 13.878) 39.318 1.731 ( 1.293 0.747 0.564) 1.596 1.801 ( 7.623 4.401 -1.984) 9.023 2.993 ( -1.167 -0.674 1.402) 1.944 4.841 ( 2.439 1.408 0.254) 2.828 6.063 ( -3.786 -2.186 -0.029) 4.371 6.083 ( -2.158 -1.246 -0.010) 2.492 6.493 ( 3.456 1.995 -14.830) 15.357 7.550 ( -7.575 -4.373 2.133) 9.003 8.148 ( 0.236 0.136 -3.022) 3.034======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 16.413 9.476 -5.102) 19.627 0.792 ( 16.741 9.665 -6.279) 20.325 1.451 ( 18.926 10.927 10.944) 24.441 1.783 ( 3.137 1.811 1.136) 3.796 2.102 ( 20.711 11.957 -2.381) 24.033 2.959 ( -1.828 -1.055 -0.651) 2.209 4.923 ( 4.675 2.699 0.276) 5.406 5.949 ( -5.874 -3.391 -0.570) 6.806 6.018 ( -3.327 -1.921 0.041) 3.842 6.530 ( 2.129 1.229 -4.997) 5.569 7.342 ( -10.875 -6.279 3.473) 13.029 8.112 ( -2.540 -1.467 -5.303) 6.060======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 12.781 7.379 -4.675) 15.481 1.128 ( 14.660 8.464 -8.362) 18.881 1.755 ( 7.787 4.496 5.079) 10.327 1.890 ( 6.103 3.523 1.523) 7.209 2.658 ( 23.608 13.630 -3.145) 27.441 2.924 ( 0.755 0.436 3.126) 3.246 5.048 ( 6.047 3.491 -0.001) 6.982 5.808 ( -5.793 -3.344 -1.583) 6.873 5.945 ( -2.830 -1.634 0.200) 3.274 6.548 ( -0.200 -0.115 -0.278) 0.361 7.091 ( -11.914 -6.879 3.597) 14.220 8.005 ( -4.855 -2.803 -6.838) 8.842======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 7.541 4.354 -3.689) 9.456 1.411 ( 12.669 7.314 -9.562) 17.476 1.894 ( 3.998 2.308 2.273) 5.146 2.068 ( 8.869 5.121 1.299) 10.324 2.774 ( -4.000 -2.310 -0.671) 4.668 3.306 ( 21.999 12.701 3.034) 25.583 5.184 ( 5.510 3.181 -0.436) 6.378 5.695 ( -3.215 -1.856 -2.604) 4.535 5.904 ( -0.584 -0.337 0.442) 0.806 6.510 ( -3.505 -2.024 2.606) 4.814 6.826 ( -11.810 -6.819 1.311) 13.700 7.873 ( -4.468 -2.580 -6.204) 8.069======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 3.731 2.154 -2.373) 4.918 1.656 ( 11.440 6.605 -9.152) 16.070 1.967 ( 2.220 1.282 1.058) 2.773 2.275 ( 8.387 4.843 0.732) 9.713 2.642 ( -7.756 -4.478 3.523) 9.624 3.739 ( 14.969 8.642 0.684) 17.298 5.283 ( 3.190 1.842 -0.673) 3.745 5.660 ( 1.042 0.602 -2.927) 3.165 5.924 ( 1.985 1.146 0.553) 2.358 6.388 ( -8.885 -5.130 4.774) 11.316 6.591 ( -7.425 -4.287 -2.870) 9.041 7.780 ( -2.373 -1.370 -3.629) 4.547======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 1.549 0.894 -1.142) 2.122 1.880 ( 10.007 5.778 -6.747) 13.381 2.010 ( 1.646 0.950 -0.283) 1.921 2.432 ( 4.883 2.819 0.298) 5.647 2.452 ( -9.621 -5.555 5.363) 12.337 3.988 ( 6.968 4.023 -0.237) 8.049 5.328 ( 1.155 0.667 -0.467) 1.413 5.724 ( 5.032 2.905 -2.230) 6.224 5.978 ( 2.180 1.259 0.357) 2.543 6.152 ( -11.320 -6.536 2.252) 13.264 6.485 ( -2.080 -1.201 -1.672) 2.926 7.739 ( -0.778 -0.449 -1.312) 1.591======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( 0.000 19.743 13.666) 24.012 0.491 ( 0.000 21.619 9.576) 23.645 0.762 ( -0.000 34.754 5.588) 35.201 1.717 ( -0.000 0.934 -2.684) 2.842 1.809 ( -0.000 9.384 -0.195) 9.386 2.999 ( 0.000 -2.626 2.561) 3.668 4.840 ( -0.000 2.799 0.229) 2.808 6.059 ( -0.000 -4.254 -1.200) 4.420 6.082 ( 0.000 -2.542 -0.298) 2.559 6.425 ( -0.000 9.806 -27.560) 29.252 7.557 ( 0.000 -8.923 3.256) 9.498 8.146 ( -0.000 0.951 -3.281) 3.416======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.631 ( 2.149 16.741 10.250) 19.747 0.837 ( 5.894 23.169 -2.485) 24.035 1.298 ( 18.102 19.340 11.179) 28.752 1.750 ( 3.093 1.922 -2.256) 4.284 1.992 ( 8.227 17.059 -1.461) 18.996 2.965 ( -1.063 -2.137 -1.266) 2.701 4.897 ( 2.444 4.145 0.452) 4.833 5.986 ( -2.967 -5.214 -0.725) 6.043 6.033 ( -1.688 -3.258 -0.328) 3.684 6.472 ( 3.347 3.734 -13.055) 13.985 7.415 ( -5.759 -10.742 4.247) 12.907 8.124 ( -1.916 -0.485 -4.668) 5.069======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( 9.422 11.358 3.061) 15.071 1.135 ( 5.581 19.543 -5.626) 21.089 1.678 ( 9.204 6.324 6.473) 12.907 1.849 ( 4.928 5.075 -0.106) 7.075 2.444 ( 19.518 22.230 -1.577) 29.624 2.923 ( -0.475 -1.768 -0.580) 1.920 5.005 ( 4.338 5.472 0.480) 7.000 5.861 ( -5.076 -4.741 -1.244) 7.057 5.968 ( -2.128 -2.671 -0.097) 3.416 6.517 ( 2.560 0.186 -5.299) 5.887 7.196 ( -8.658 -10.748 4.696) 14.578 8.036 ( -4.498 -2.606 -6.268) 8.143======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 9.781 6.919 -1.178) 12.038 1.373 ( 4.765 14.665 -6.828) 16.864 1.847 ( 5.095 2.507 2.650) 6.266 2.017 ( 6.405 8.887 0.943) 10.994 2.783 ( 0.875 0.639 -4.603) 4.729 3.108 ( 18.376 15.640 4.894) 24.622 5.146 ( 4.701 6.503 0.202) 8.027 5.730 ( -4.463 -3.300 -2.116) 5.940 5.918 ( -1.388 -0.874 0.081) 1.642 6.523 ( 0.184 -2.034 -1.312) 2.428 6.943 ( -10.323 -10.158 3.699) 14.948 7.899 ( -4.895 -3.772 -6.486) 8.959======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 6.533 4.135 -2.058) 8.000 1.562 ( 5.912 10.641 -7.655) 14.380 1.936 ( 3.034 0.921 1.283) 3.421 2.231 ( 6.346 10.365 0.948) 12.190 2.719 ( -4.356 -2.879 0.693) 5.267 3.579 ( 16.200 12.836 1.767) 20.744 5.278 ( 2.673 6.781 -0.262) 7.293 5.649 ( -1.167 -1.179 -2.619) 3.100 5.913 ( 0.667 1.047 0.280) 1.273 6.474 ( -3.371 -2.802 1.708) 4.704 6.670 ( -10.446 -9.048 -0.161) 13.821 7.779 ( -2.408 -3.744 -4.443) 6.289======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 2.435 3.135 -1.402) 4.210 1.754 ( 8.660 7.585 -7.395) 13.683 1.985 ( 1.936 0.055 0.464) 1.992 2.404 ( 2.616 4.959 1.708) 5.861 2.606 ( -7.241 1.652 2.624) 7.877 3.899 ( 9.505 6.824 0.391) 11.707 5.362 ( -0.423 6.563 -0.537) 6.599 5.658 ( 3.371 0.652 -2.285) 4.124 5.954 ( 2.028 1.615 0.312) 2.611 6.314 ( -12.199 -4.730 3.363) 13.509 6.485 ( -1.797 -4.166 -3.219) 5.563 7.719 ( 0.226 -3.274 -1.809) 3.747======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 0.018 2.383 -0.604) 2.458 1.943 ( 7.467 3.607 -4.531) 9.449 2.011 ( 1.928 -0.367 -1.311) 2.360 2.360 ( -5.486 -4.460 4.134) 8.190 2.594 ( -4.781 11.400 0.258) 12.365 4.048 ( 3.136 1.858 0.275) 3.655 5.396 ( -2.571 6.245 -0.373) 6.763 5.747 ( 6.063 -0.057 -1.305) 6.202 5.991 ( 0.091 0.453 0.104) 0.474 6.088 ( -8.837 -0.933 1.328) 8.985 6.446 ( 0.508 -1.748 -0.995) 2.074 7.702 ( 1.449 -2.874 -0.157) 3.223======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -1.616 1.327 0.313) 2.115 1.970 ( -3.229 -2.701 1.447) 4.451 2.022 ( -1.205 -3.125 0.709) 3.424 2.328 ( 4.668 2.123 -2.550) 5.728 2.591 ( -7.879 9.711 -0.384) 12.512 4.050 ( -3.186 -1.804 0.664) 3.721 5.398 ( -3.901 5.429 0.049) 6.685 5.758 ( -2.059 -5.116 0.920) 5.591 5.994 ( -0.913 0.481 0.841) 1.332 6.076 ( 4.631 6.667 -1.490) 8.254 6.452 ( 1.977 -0.959 0.447) 2.242 7.707 ( 2.147 -2.459 0.978) 3.407======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( -3.358 -0.599 1.397) 3.686 1.818 ( -9.631 -4.102 6.723) 12.441 1.978 ( -1.282 -1.947 -0.880) 2.492 2.388 ( -3.774 -0.190 -1.860) 4.212 2.580 ( 0.689 8.227 -3.103) 8.820 3.898 ( -11.093 -5.031 0.364) 12.186 5.366 ( -5.347 3.544 0.405) 6.428 5.680 ( -1.815 -2.663 2.460) 4.055 5.953 ( -2.792 -0.717 0.050) 2.883 6.281 ( 9.054 7.527 -3.969) 12.425 6.509 ( 5.442 0.042 2.189) 5.866 7.739 ( 3.493 -1.467 2.605) 4.598======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( -6.136 -4.120 2.925) 7.949 1.632 ( -11.691 -0.945 7.802) 14.087 1.922 ( -2.646 -2.337 -1.769) 3.949 2.222 ( -12.158 -0.398 -1.022) 12.207 2.707 ( 6.038 3.573 -2.039) 7.306 3.566 ( -20.199 -7.918 -0.977) 21.718 5.281 ( -7.225 0.764 0.417) 7.277 5.673 ( 1.607 0.152 2.658) 3.110 5.910 ( -1.370 0.188 -0.281) 1.411 6.446 ( 5.288 3.233 -4.271) 7.527 6.676 ( 11.259 3.008 0.853) 11.685 7.820 ( 5.502 0.328 4.520) 7.128======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -10.662 -7.386 4.034) 13.583 1.438 ( -14.897 2.077 7.296) 16.717 1.820 ( -5.653 -3.269 -3.161) 7.255 2.006 ( -10.960 -0.838 -1.394) 11.080 2.817 ( 2.782 1.195 2.626) 4.008 3.067 ( -25.749 -8.761 -3.898) 27.476 5.146 ( -8.049 -1.135 0.146) 8.130 5.747 ( 4.835 1.856 1.790) 5.479 5.916 ( 1.460 0.940 -0.285) 1.760 6.520 ( 2.683 0.453 -2.055) 3.410 6.919 ( 12.962 3.438 -1.622) 13.508 7.951 ( 6.443 1.635 4.953) 8.289======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -15.037 -7.100 2.997) 16.897 1.190 ( -19.640 2.912 5.955) 20.729 1.624 ( -12.529 -4.309 -4.836) 14.104 1.845 ( -6.528 -0.599 -1.068) 6.642 2.455 ( -29.558 -6.124 0.910) 30.200 2.924 ( 3.321 0.394 -0.484) 3.379 5.003 ( -6.956 -1.164 -0.061) 7.053 5.869 ( 6.423 1.747 0.647) 6.688 5.968 ( 3.434 0.654 -0.150) 3.499 6.542 ( 0.470 -0.402 0.053) 0.621 7.167 ( 13.149 2.380 -1.568) 13.454 8.079 ( 4.838 1.225 3.125) 5.889======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( -17.193 0.000 0.000) 17.193 0.852 ( -23.163 0.000 0.000) 23.163 1.244 ( -27.803 0.000 0.000) 27.803 1.760 ( -3.083 0.000 0.000) 3.083 1.999 ( -18.681 0.000 0.000) 18.681 2.971 ( 1.892 -0.000 -0.000) 1.892 4.895 ( -4.814 0.000 0.000) 4.814 5.989 ( 6.022 -0.000 -0.000) 6.022 6.034 ( 3.701 -0.000 -0.000) 3.701 6.535 ( -1.058 0.000 0.000) 1.058 7.395 ( 11.911 -0.000 -0.000) 11.911 8.146 ( 1.694 -0.000 -0.000) 1.694======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( 0.000 17.578 11.990) 21.278 0.957 ( 0.000 20.121 7.534) 21.485 1.371 ( -0.000 22.076 5.346) 22.714 1.728 ( -0.000 2.848 -4.989) 5.745 2.122 ( -0.000 23.272 -0.391) 23.275 2.943 ( -0.000 -3.093 -2.498) 3.975 4.925 ( -0.000 5.532 0.490) 5.554 5.947 ( 0.000 -6.023 -0.838) 6.082 6.012 ( 0.000 -3.979 -0.558) 4.018 6.442 ( -0.000 3.764 -13.056) 13.588 7.355 ( 0.000 -13.269 4.168) 13.909 8.126 ( -0.000 -1.020 -3.753) 3.889======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -4.050 16.285 11.066) 20.101 1.241 ( 3.904 18.233 -0.425) 18.651 1.632 ( 6.282 9.647 5.492) 12.755 1.804 ( 5.735 6.127 -3.040) 8.926 2.449 ( 8.431 27.693 -1.706) 28.998 2.900 ( 0.010 -2.783 -1.994) 3.423 5.009 ( 2.512 6.761 0.736) 7.250 5.868 ( -2.206 -5.740 -0.706) 6.189 5.962 ( -0.858 -3.426 -0.487) 3.565 6.453 ( 2.240 0.451 -8.767) 9.060 7.197 ( -4.005 -13.560 4.210) 14.752 8.067 ( -3.504 -2.522 -4.234) 6.046======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 0.614 12.120 6.062) 13.565 1.447 ( 2.232 14.669 -4.384) 15.472 1.795 ( 4.857 3.734 2.216) 6.515 2.001 ( 7.335 10.240 0.517) 12.606 2.753 ( 2.271 3.407 -7.231) 8.310 3.026 ( 12.198 18.017 5.046) 22.335 5.145 ( 4.256 8.095 1.018) 9.202 5.760 ( -3.879 -4.292 -1.422) 5.958 5.924 ( -0.483 -1.482 -0.379) 1.604 6.463 ( 2.415 -2.583 -5.102) 6.208 6.988 ( -6.570 -12.675 4.074) 14.847 7.937 ( -5.924 -3.886 -4.930) 8.631======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 3.103 8.316 2.080) 9.116 1.590 ( 1.851 10.882 -5.674) 12.411 1.894 ( 3.331 1.309 1.349) 3.825 2.242 ( 6.653 12.324 1.180) 14.054 2.736 ( -0.530 -1.835 -2.110) 2.846 3.469 ( 14.041 17.143 2.201) 22.268 5.306 ( 3.773 9.032 0.976) 9.837 5.660 ( -2.876 -2.258 -1.991) 4.163 5.917 ( 0.253 1.025 -0.636) 1.232 6.451 ( 1.362 -3.905 -2.984) 5.100 6.749 ( -8.902 -11.044 3.087) 14.517 7.783 ( -4.871 -4.596 -4.399) 8.013======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 2.739 6.175 0.495) 6.773 1.708 ( 3.676 8.057 -5.739) 10.553 1.949 ( 2.235 -0.047 0.721) 2.349 2.424 ( 2.018 4.663 2.405) 5.621 2.731 ( -1.331 7.096 0.180) 7.222 3.812 ( 9.847 9.502 0.735) 13.704 5.440 ( 0.986 8.928 0.528) 8.998 5.620 ( 0.440 -0.212 -1.884) 1.946 5.947 ( 1.228 2.447 -0.901) 2.883 6.424 ( 0.349 -2.788 -1.261) 3.080 6.488 ( -10.645 -8.679 1.002) 13.771 7.673 ( -1.108 -4.839 -2.517) 5.566======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 0.177 4.897 -0.042) 4.900 1.846 ( 6.301 5.139 -4.895) 9.491 1.977 ( 1.424 -0.849 0.055) 1.659 2.407 ( -3.485 -3.800 3.697) 6.344 2.822 ( -4.009 16.703 -0.017) 17.177 3.999 ( 5.174 2.714 0.391) 5.856 5.517 ( -1.995 8.493 0.171) 8.726 5.655 ( 3.771 0.078 -1.212) 3.961 5.991 ( 1.326 2.294 -1.166) 2.895 6.238 ( -10.422 -4.248 1.244) 11.323 6.412 ( 0.894 -1.417 -1.169) 2.043 7.630 ( 1.880 -4.849 -0.720) 5.250======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( -1.928 3.689 0.100) 4.164 1.958 ( 3.342 -0.191 -2.028) 3.914 1.982 ( 0.823 -1.552 -1.085) 2.065 2.323 ( -2.342 -1.200 1.970) 3.287 2.873 ( -9.407 16.125 -0.285) 18.671 4.057 ( 0.895 -1.409 0.751) 1.830 5.542 ( -4.380 7.579 0.047) 8.753 5.705 ( 2.496 -3.047 -0.094) 3.940 6.044 ( 1.835 5.159 -0.985) 5.564 6.084 ( -4.520 -0.826 1.007) 4.704 6.416 ( 0.935 -0.760 -0.389) 1.266 7.627 ( 3.151 -4.564 0.479) 5.567======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( -3.858 1.756 0.547) 4.274 1.920 ( -4.529 -3.108 2.888) 6.205 1.966 ( -0.129 -2.301 -1.372) 2.682 2.349 ( 3.821 1.454 -2.095) 4.593 2.816 ( -12.879 11.989 -0.601) 17.606 4.003 ( -5.184 -3.227 0.827) 6.162 5.518 ( -6.069 5.373 0.239) 8.109 5.677 ( -0.906 -3.227 1.125) 3.536 6.015 ( -4.071 1.158 1.424) 4.466 6.198 ( 7.995 6.711 -2.993) 10.858 6.432 ( 2.713 -1.585 0.854) 3.256 7.652 ( 4.280 -3.550 1.566) 5.777======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( -6.114 -0.980 1.208) 6.309 1.807 ( -7.367 -0.667 4.685) 8.756 1.928 ( -1.270 -2.191 -1.659) 3.028 2.384 ( -3.120 0.604 -1.593) 3.555 2.717 ( -6.204 6.276 -1.300) 8.921 3.806 ( -14.163 -4.030 0.194) 14.726 5.438 ( -8.222 2.741 0.298) 8.672 5.653 ( 0.721 -1.276 1.620) 2.185 5.960 ( -3.795 1.145 0.553) 4.002 6.377 ( 5.830 4.606 -4.629) 8.754 6.514 ( 9.061 -0.735 2.249) 9.365 7.722 ( 6.275 -1.582 2.502) 6.938======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -9.078 -2.207 1.484) 9.460 1.680 ( -9.697 1.194 3.633) 10.424 1.865 ( -3.396 -1.808 -1.594) 4.165 2.224 ( -13.597 0.539 -0.536) 13.618 2.753 ( 4.426 1.542 -0.493) 4.713 3.441 ( -23.735 -3.521 -0.544) 24.000 5.297 ( -9.690 0.435 0.110) 9.700 5.690 ( 3.537 0.237 1.090) 3.709 5.923 ( -1.517 0.772 0.031) 1.702 6.465 ( 3.547 0.750 -1.809) 4.051 6.717 ( 12.663 1.018 -0.092) 12.704 7.846 ( 7.869 0.095 2.179) 8.165======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -13.014 0.000 0.000) 13.014 1.498 ( -13.731 0.000 0.000) 13.731 1.764 ( -7.121 0.000 0.000) 7.121 1.998 ( -11.821 0.000 0.000) 11.821 2.849 ( 5.256 -0.000 -0.000) 5.256 2.952 ( -30.187 0.000 0.000) 30.187 5.135 ( -9.021 0.000 0.000) 9.021 5.774 ( 5.586 -0.000 -0.000) 5.586 5.927 ( 1.453 -0.000 -0.000) 1.453 6.515 ( 2.309 -0.000 -0.000) 2.309 6.947 ( 13.426 -0.000 -0.000) 13.426 7.984 ( 7.287 -0.000 -0.000) 7.287======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 0.000 10.768 7.994) 13.411 1.359 ( -0.000 16.686 3.928) 17.142 1.706 ( 0.000 10.372 4.978) 11.505 1.797 ( -0.000 8.262 -4.922) 9.617 2.645 ( -0.000 23.709 -5.796) 24.407 2.877 ( 0.000 2.267 1.293) 2.610 5.058 ( -0.000 7.243 0.591) 7.267 5.830 ( 0.000 -5.078 -0.019) 5.078 5.932 ( 0.000 -3.382 -0.603) 3.436 6.406 ( -0.000 -0.943 -8.444) 8.496 7.101 ( 0.000 -14.407 3.335) 14.788 8.062 ( -0.000 -3.212 -3.093) 4.459======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( -3.192 8.425 5.652) 10.635 1.542 ( 1.714 12.839 -1.062) 12.996 1.797 ( 0.689 6.371 2.234) 6.786 1.972 ( 7.820 11.230 -0.255) 13.687 2.717 ( 0.718 -2.125 -7.867) 8.180 3.096 ( 5.892 25.079 4.336) 26.124 5.161 ( 3.313 7.661 0.798) 8.385 5.768 ( -2.145 -3.772 -0.390) 4.356 5.905 ( 0.339 -1.633 -0.414) 1.719 6.379 ( 1.693 -3.210 -6.356) 7.319 6.945 ( -2.774 -13.770 2.739) 14.311 7.979 ( -4.317 -3.957 -3.033) 6.595======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -0.437 7.010 3.330) 7.773 1.660 ( 0.376 9.607 -4.252) 10.513 1.872 ( 1.676 2.937 1.776) 3.820 2.237 ( 8.457 12.069 1.140) 14.781 2.687 ( 2.238 -3.271 -3.449) 5.254 3.470 ( 8.391 21.106 2.175) 22.817 5.321 ( 5.293 8.383 1.339) 10.004 5.687 ( -3.252 -2.069 -1.166) 4.027 5.912 ( 1.051 0.828 -0.898) 1.611 6.359 ( 2.384 -4.850 -4.401) 6.970 6.759 ( -4.753 -12.079 2.377) 13.196 7.830 ( -6.699 -4.286 -3.141) 8.551======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 1.733 6.629 2.276) 7.220 1.733 ( 0.747 6.776 -4.893) 8.392 1.921 ( 1.495 0.800 1.082) 2.011 2.429 ( 2.524 2.857 2.498) 4.558 2.768 ( 6.505 8.349 -0.803) 10.614 3.775 ( 6.762 12.503 0.746) 14.234 5.490 ( 3.620 7.998 1.544) 8.914 5.627 ( -1.634 0.194 -1.145) 2.004 5.946 ( 1.297 2.423 -2.309) 3.589 6.342 ( 2.729 -4.778 -3.020) 6.277 6.563 ( -6.585 -9.047 2.242) 11.412 7.671 ( -5.252 -4.372 -2.629) 7.322======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( 0.912 6.263 1.383) 6.479 1.804 ( 2.911 4.299 -3.736) 6.396 1.948 ( 1.172 -0.268 0.456) 1.286 2.426 ( -1.734 -3.338 3.095) 4.871 3.007 ( 3.831 17.610 0.032) 18.022 3.944 ( 3.916 3.305 0.127) 5.126 5.584 ( 1.324 3.134 0.674) 3.468 5.646 ( 0.015 4.875 -0.086) 4.876 5.979 ( 1.301 1.069 -3.451) 3.840 6.321 ( -2.230 -3.840 -1.404) 4.657 6.405 ( -2.906 -2.239 1.928) 4.144 7.564 ( -1.129 -4.756 -1.516) 5.117======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -1.676 5.411 0.649) 5.702 1.884 ( 3.903 0.686 -2.517) 4.695 1.959 ( 0.659 -0.720 -0.070) 0.978 2.360 ( -2.830 -2.438 2.409) 4.444 3.186 ( -5.280 19.230 -0.107) 19.942 3.996 ( 3.102 -3.477 0.403) 4.677 5.641 ( 2.602 -0.102 0.413) 2.637 5.670 ( -2.751 5.282 0.225) 5.960 5.998 ( 3.027 -1.556 -3.198) 4.670 6.214 ( -6.537 2.535 1.818) 7.243 6.405 ( 0.428 0.554 -0.442) 0.828 7.526 ( 2.436 -5.007 -0.330) 5.578======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( -4.129 3.626 0.498) 5.518 1.913 ( 1.463 -2.691 -1.008) 3.225 1.954 ( -0.548 -0.911 -0.253) 1.093 2.325 ( 0.004 0.297 0.419) 0.514 3.182 ( -14.176 13.883 -0.378) 19.845 4.002 ( 1.625 -4.238 0.736) 4.598 5.623 ( -2.101 -0.966 -0.350) 2.339 5.691 ( -1.945 2.837 1.159) 3.630 6.044 ( 4.178 -1.710 -1.071) 4.639 6.190 ( -2.239 7.841 0.951) 8.210 6.399 ( -0.341 -1.232 -0.771) 1.493 7.541 ( 4.374 -3.995 0.580) 5.952======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -6.301 0.827 0.325) 6.364 1.895 ( -1.684 -0.918 2.302) 2.996 1.919 ( -1.524 -1.264 -1.865) 2.720 2.360 ( 2.988 0.531 -0.788) 3.136 3.001 ( -16.882 5.708 -0.294) 17.823 3.948 ( -5.349 -2.063 0.386) 5.746 5.574 ( -3.830 0.416 0.193) 3.857 5.657 ( -2.930 0.201 0.505) 2.980 6.049 ( -3.363 1.006 0.801) 3.600 6.304 ( 6.591 5.807 -2.628) 9.169 6.390 ( 3.035 -3.530 1.266) 4.824 7.602 ( 5.961 -1.791 0.863) 6.284======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -7.525 0.000 0.000) 7.525 1.825 ( -6.273 0.000 0.000) 6.273 1.891 ( -1.144 0.000 0.000) 1.144 2.386 ( -2.639 0.000 0.000) 2.639 2.781 ( -9.099 0.000 0.000) 9.099 3.763 ( -15.242 0.000 0.000) 15.242 5.465 ( -8.933 0.000 0.000) 8.933 5.646 ( 1.523 -0.000 -0.000) 1.523 5.980 ( -4.367 0.000 0.000) 4.367 6.407 ( 3.285 -0.000 -0.000) 3.285 6.513 ( 11.531 -0.000 -0.000) 11.531 7.713 ( 7.590 -0.000 -0.000) 7.590======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 0.000 2.781 1.205) 3.031 1.646 ( -0.000 11.235 -0.959) 11.276 1.881 ( 0.000 5.103 3.332) 6.094 2.005 ( -0.000 13.387 -1.098) 13.432 2.645 ( -0.000 -5.932 -5.774) 8.278 3.321 ( -0.000 26.354 3.272) 26.556 5.197 ( -0.000 6.028 0.091) 6.029 5.757 ( 0.000 -2.249 -0.042) 2.249 5.891 ( -0.000 -0.133 -0.082) 0.156 6.311 ( -0.000 -4.133 -5.145) 6.599 6.838 ( 0.000 -13.348 1.305) 13.412 7.971 ( -0.000 -4.127 -2.041) 4.604======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.400 2.355 0.122) 2.392 1.733 ( -0.199 7.671 -4.029) 8.667 1.910 ( -1.148 3.273 1.486) 3.773 2.213 ( 7.748 12.126 0.514) 14.399 2.589 ( 2.286 -5.834 -2.023) 6.585 3.599 ( 2.874 21.971 2.136) 22.261 5.296 ( 5.221 5.153 0.121) 7.337 5.719 ( -2.354 -0.934 -0.877) 2.681 5.907 ( 0.698 2.053 -0.008) 2.168 6.266 ( 1.252 -4.813 -3.103) 5.862 6.699 ( -1.845 -11.764 0.374) 11.914 7.885 ( -4.604 -3.957 -1.794) 6.330======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 2.680 3.404 0.747) 4.396 1.772 ( -0.193 4.610 -5.265) 7.001 1.926 ( -0.130 1.586 0.934) 1.845 2.416 ( 2.908 2.876 2.699) 4.900 2.668 ( 11.470 4.388 -0.647) 12.297 3.837 ( 2.507 14.640 0.967) 14.885 5.466 ( 7.653 5.304 0.798) 9.345 5.665 ( -2.731 0.268 -1.178) 2.986 5.945 ( 0.738 2.901 -1.542) 3.368 6.241 ( 2.305 -4.667 -1.249) 5.353 6.553 ( -2.950 -9.215 0.093) 9.677 7.739 ( -7.077 -3.312 -1.743) 8.006======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 3.607 4.372 1.328) 5.821 1.799 ( 0.810 2.737 -3.608) 4.600 1.940 ( 0.209 0.562 0.473) 0.764 2.426 ( -0.800 -2.516 3.011) 4.004 2.995 ( 14.583 11.921 0.037) 18.836 3.961 ( -0.496 6.132 0.126) 6.153 5.600 ( 0.485 2.593 0.632) 2.712 5.669 ( 3.089 3.646 0.144) 4.781 5.959 ( -0.367 0.158 -3.858) 3.878 6.262 ( 4.375 -1.641 0.120) 4.674 6.428 ( -2.923 -5.366 0.607) 6.140 7.586 ( -6.186 -2.867 -1.502) 6.982======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( 1.406 4.862 0.817) 5.127 1.831 ( 1.855 0.227 -1.522) 2.410 1.947 ( 0.281 -0.053 0.096) 0.301 2.384 ( -1.967 -2.105 1.990) 3.501 3.348 ( 9.483 15.490 0.359) 18.166 3.941 ( -2.984 -3.244 -0.190) 4.412 5.622 ( 0.616 1.343 0.647) 1.613 5.743 ( -0.051 3.813 0.729) 3.883 5.922 ( 0.514 -3.851 -3.701) 5.366 6.316 ( -1.118 2.501 0.237) 2.750 6.385 ( 2.293 -0.842 0.863) 2.591 7.477 ( -2.395 -3.121 -0.895) 4.035======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( -2.911 4.121 0.593) 5.080 1.851 ( 2.405 -2.351 -0.897) 3.481 1.950 ( 0.157 -0.253 -0.065) 0.305 2.341 ( -1.584 -0.545 0.736) 1.830 3.538 ( -9.466 15.017 -0.064) 17.752 3.867 ( 5.869 -9.047 0.220) 10.786 5.630 ( -0.785 -0.510 0.034) 0.937 5.760 ( -1.960 2.950 0.936) 3.663 5.922 ( 5.307 -2.983 -1.800) 6.349 6.314 ( -2.295 4.282 1.408) 5.058 6.405 ( -1.189 -0.490 -0.912) 1.576 7.446 ( 2.273 -2.402 -0.117) 3.309======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( -5.832 0.000 0.000) 5.832 1.875 ( 1.845 -0.000 -0.000) 1.845 1.944 ( -0.925 0.000 0.000) 0.925 2.330 ( 0.539 -0.000 -0.000) 0.539 3.338 ( -18.040 0.000 0.000) 18.040 3.945 ( 4.166 -0.000 -0.000) 4.166 5.604 ( -1.355 0.000 0.000) 1.355 5.730 ( -3.512 0.000 0.000) 3.512 6.020 ( 6.399 -0.000 -0.000) 6.399 6.328 ( -4.007 0.000 0.000) 4.007 6.337 ( 0.438 -0.000 -0.000) 0.438 7.499 ( 4.922 -0.000 -0.000) 4.922======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -0.000 0.530 -1.587) 1.673 1.782 ( -0.000 4.411 -6.191) 7.602 1.945 ( -0.000 0.929 -0.650) 1.134 2.255 ( -0.000 11.301 0.298) 11.305 2.509 ( 0.000 -5.587 1.970) 5.924 3.788 ( -0.000 18.756 1.712) 18.834 5.278 ( -0.000 2.347 -0.779) 2.473 5.733 ( -0.000 -0.077 -1.767) 1.769 5.932 ( -0.000 3.750 0.746) 3.824 6.206 ( 0.000 -4.110 -0.403) 4.130 6.603 ( 0.000 -10.138 -1.200) 10.209 7.884 ( -0.000 -3.591 -1.080) 3.750======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 2.738 0.887 -1.044) 3.062 1.784 ( 0.183 1.066 -7.553) 7.630 1.945 ( -0.315 0.648 -0.110) 0.729 2.410 ( 3.384 5.316 2.106) 6.645 2.515 ( 7.177 -0.160 1.912) 7.429 3.958 ( 0.445 13.121 0.968) 13.164 5.359 ( 7.438 1.717 -0.575) 7.655 5.708 ( -2.099 0.308 -2.173) 3.037 5.974 ( -0.166 3.943 0.160) 3.950 6.177 ( 0.567 -3.227 1.554) 3.626 6.499 ( -1.135 -7.672 -1.845) 7.972 7.809 ( -4.495 -2.744 -0.854) 5.335======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 5.240 1.796 0.337) 5.549 1.787 ( 1.591 0.509 -4.704) 4.992 1.946 ( -0.180 0.350 0.109) 0.409 2.430 ( -0.857 -1.189 3.154) 3.478 2.792 ( 17.413 5.789 -0.046) 18.350 4.053 ( -1.533 6.954 0.365) 7.131 5.540 ( 10.175 2.107 0.205) 10.393 5.669 ( -1.841 0.616 -1.514) 2.462 5.984 ( -2.141 1.591 -1.467) 3.044 6.180 ( 2.626 -1.828 2.050) 3.800 6.411 ( -1.294 -4.453 -1.333) 4.825 7.683 ( -7.141 -1.631 -0.775) 7.366======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 5.354 1.646 0.434) 5.618 1.813 ( 1.307 0.546 -1.342) 1.952 1.946 ( -0.047 -0.004 0.012) 0.049 2.404 ( -1.648 -0.948 1.437) 2.383 3.171 ( 19.982 4.948 0.088) 20.585 4.032 ( -6.144 1.481 0.001) 6.320 5.640 ( -0.681 1.231 0.385) 1.458 5.718 ( 6.289 1.055 -0.296) 6.384 5.923 ( -4.234 -1.066 -1.555) 4.635 6.259 ( 7.022 -0.043 0.702) 7.057 6.366 ( -0.647 -1.113 -0.151) 1.296 7.542 ( -7.085 -0.946 -0.525) 7.167======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 4.393 -0.000 -0.000) 4.393 1.814 ( -1.310 0.000 0.000) 1.310 1.946 ( 0.101 -0.000 -0.000) 0.101 2.369 ( -1.891 0.000 0.000) 1.891 3.537 ( 18.335 -0.000 -0.000) 18.335 3.875 ( -12.081 0.000 0.000) 12.081 5.640 ( -0.333 0.000 0.000) 0.333 5.811 ( 4.590 -0.000 -0.000) 4.590 5.834 ( -4.155 0.000 0.000) 4.155 6.353 ( -0.652 0.000 0.000) 0.652 6.379 ( 4.922 -0.000 -0.000) 4.922 7.441 ( -3.308 0.000 0.000) 3.308======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( -0.000 0.076 -1.408) 1.410 1.747 ( -0.000 -1.985 -8.245) 8.481 1.952 ( -0.000 0.425 0.080) 0.432 2.433 ( -0.000 6.194 0.284) 6.201 2.458 ( 0.000 -2.063 4.236) 4.712 4.067 ( -0.000 8.900 0.564) 8.918 5.295 ( -0.000 0.288 -0.802) 0.852 5.721 ( -0.000 0.083 -2.542) 2.543 6.017 ( -0.000 3.586 0.748) 3.663 6.159 ( 0.000 -1.661 3.036) 3.461 6.437 ( -0.000 -5.269 -2.544) 5.851 7.823 ( 0.000 -2.045 -0.408) 2.085======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 4.247 0.389 -0.331) 4.277 1.729 ( 2.384 -1.290 -4.263) 5.051 1.953 ( -0.241 0.217 0.113) 0.344 2.446 ( -0.754 -0.425 2.170) 2.336 2.578 ( 11.041 2.647 0.166) 11.355 4.129 ( -0.628 4.113 0.214) 4.166 5.373 ( 8.707 0.279 -0.343) 8.718 5.700 ( -1.564 0.093 -1.367) 2.080 6.035 ( -1.539 1.701 0.067) 2.295 6.155 ( 0.068 -0.739 2.115) 2.241 6.386 ( -0.529 -2.518 -1.591) 3.026 7.769 ( -4.259 -0.957 -0.237) 4.371======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 6.066 -0.000 -0.000) 6.066 1.770 ( 3.283 -0.000 -0.000) 3.283 1.949 ( -0.311 0.000 0.000) 0.311 2.428 ( -1.381 0.000 0.000) 1.381 2.852 ( 18.588 -0.000 -0.000) 18.588 4.121 ( -2.896 0.000 0.000) 2.896 5.560 ( 11.522 -0.000 -0.000) 11.522 5.669 ( -1.688 0.000 0.000) 1.688 5.994 ( -3.935 0.000 0.000) 3.935 6.171 ( 2.608 -0.000 -0.000) 2.608 6.365 ( -0.278 0.000 0.000) 0.278 7.665 ( -7.110 0.000 0.000) 7.110======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.376 ( -0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.206 ( 0.000 -0.000 22.764) 22.764 0.206 ( 0.000 -0.000 22.764) 22.764 0.367 ( 0.000 -0.000 40.796) 40.796 1.706 ( -0.000 0.000 -2.153) 2.153 1.706 ( -0.000 0.000 -2.153) 2.153 3.506 ( -0.000 0.000 -5.551) 5.551 4.815 ( 0.000 -0.000 0.498) 0.498 4.815 ( 0.000 -0.000 0.498) 0.498 6.107 ( -0.000 0.000 -0.312) 0.312 6.107 ( -0.000 0.000 -0.312) 0.312 7.645 ( 0.000 -0.000 0.935) 0.935 8.129 ( -0.000 0.000 -0.272) 0.272======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( 13.786 7.959 6.514) 17.200 0.454 ( 11.760 6.790 13.725) 19.307 0.976 ( 28.663 16.548 21.665) 39.557 1.727 ( 1.817 1.049 -1.514) 2.588 1.773 ( 7.212 4.164 -4.174) 9.315 3.016 ( -5.441 -3.142 2.853) 6.900 4.845 ( 2.431 1.403 0.689) 2.890 6.059 ( -3.511 -2.027 -1.159) 4.216 6.081 ( -2.112 -1.219 -0.320) 2.460 6.219 ( 23.619 13.637 -39.487) 47.990 7.584 ( -6.929 -4.000 4.417) 9.139 8.106 ( -0.593 -0.343 -5.139) 5.184======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 15.096 8.716 0.484) 17.439 0.774 ( 13.514 7.802 2.779) 15.850 1.558 ( 15.155 8.750 12.086) 21.267 1.784 ( 3.659 2.113 -0.727) 4.288 2.079 ( 22.126 12.775 -2.603) 25.682 2.945 ( -1.674 -0.966 -2.533) 3.186 4.927 ( 4.559 2.632 0.617) 5.301 5.941 ( -6.090 -3.516 -1.095) 7.117 6.017 ( -3.244 -1.873 -0.260) 3.755 6.446 ( 7.317 4.225 -12.995) 15.500 7.388 ( -11.026 -6.366 6.385) 14.243 8.051 ( -2.860 -1.651 -7.968) 8.625======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( 12.246 7.070 -1.728) 14.246 1.072 ( 12.723 7.346 -3.731) 15.158 1.797 ( 6.217 3.589 3.957) 8.197 1.897 ( 6.465 3.732 0.131) 7.466 2.628 ( 20.297 11.718 -3.257) 23.662 2.949 ( 5.295 3.057 2.255) 6.517 5.050 ( 5.836 3.369 0.255) 6.744 5.793 ( -6.131 -3.540 -1.804) 7.306 5.945 ( -2.695 -1.556 -0.062) 3.113 6.526 ( 2.092 1.208 -4.404) 5.023 7.135 ( -12.749 -7.361 5.863) 15.846 7.936 ( -4.584 -2.647 -8.375) 9.908======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 7.604 4.390 -2.481) 9.124 1.334 ( 11.864 6.850 -7.313) 15.529 1.911 ( 3.473 2.005 1.505) 4.284 2.077 ( 8.892 5.134 0.602) 10.285 2.761 ( -1.595 -0.921 -2.118) 2.807 3.337 ( 20.608 11.898 3.576) 24.063 5.180 ( 5.293 3.056 -0.308) 6.119 5.672 ( -3.470 -2.003 -2.378) 4.659 5.907 ( -0.433 -0.250 0.316) 0.591 6.519 ( -1.866 -1.078 -0.756) 2.284 6.844 ( -13.773 -7.952 2.482) 16.096 7.818 ( -3.418 -1.973 -5.943) 7.134======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 4.087 2.359 -2.192) 5.203 1.576 ( 11.566 6.678 -8.352) 15.752 1.974 ( 1.946 1.124 0.548) 2.313 2.281 ( 8.269 4.774 0.531) 9.562 2.668 ( -6.317 -3.647 2.165) 7.609 3.749 ( 14.271 8.239 1.357) 16.534 5.276 ( 3.142 1.814 -0.793) 3.713 5.636 ( 1.078 0.622 -2.391) 2.695 5.929 ( 2.012 1.161 0.709) 2.429 6.427 ( -8.299 -4.791 3.836) 10.322 6.559 ( -8.440 -4.873 -4.103) 10.574 7.752 ( -1.359 -0.784 -2.423) 2.886======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 1.996 1.152 -1.436) 2.716 1.813 ( 11.221 6.478 -7.896) 15.173 2.007 ( 0.921 0.532 -0.425) 1.145 2.434 ( 4.768 2.753 0.306) 5.514 2.497 ( -9.122 -5.267 4.497) 11.453 3.990 ( 6.799 3.925 0.676) 7.880 5.322 ( 1.316 0.760 -0.856) 1.744 5.705 ( 5.284 3.051 -1.948) 6.405 5.984 ( 2.043 1.180 0.805) 2.493 6.171 ( -11.973 -6.913 1.959) 13.964 6.467 ( -1.129 -0.652 -2.333) 2.672 7.732 ( -0.280 -0.162 -0.208) 0.385======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 0.494 0.285 -0.494) 0.755 1.989 ( 1.622 0.937 -1.208) 2.229 2.036 ( 4.044 2.335 -4.997) 6.840 2.324 ( -4.790 -2.766 3.475) 6.532 2.489 ( -0.114 -0.066 0.080) 0.154 4.070 ( 0.055 0.031 1.015) 1.017 5.337 ( 0.262 0.151 -0.530) 0.611 5.822 ( 1.919 1.108 -1.504) 2.678 5.979 ( -1.720 -0.993 1.804) 2.683 6.009 ( -0.220 -0.127 0.588) 0.641 6.459 ( 0.656 0.379 -0.629) 0.985 7.733 ( 0.295 0.170 0.890) 0.953======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( -0.996 -0.575 0.620) 1.307 1.928 ( -7.083 -4.090 3.716) 8.984 2.013 ( -2.840 -1.640 0.480) 3.314 2.405 ( 9.215 5.320 -4.973) 11.745 2.429 ( -5.042 -2.911 -0.224) 5.827 3.994 ( -7.209 -4.162 1.129) 8.401 5.330 ( -0.908 -0.524 -0.027) 1.049 5.743 ( -4.445 -2.566 2.134) 5.559 5.977 ( -2.408 -1.390 0.174) 2.785 6.131 ( 10.177 5.876 -2.212) 11.958 6.496 ( 2.876 1.660 0.755) 3.405 7.755 ( 1.345 0.777 2.130) 2.637======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -3.082 -1.779 2.087) 4.125 1.736 ( -10.585 -6.111 8.357) 14.807 1.957 ( -2.586 -1.493 -1.199) 3.218 2.268 ( -8.642 -4.990 -0.791) 10.011 2.606 ( 8.944 5.164 -4.563) 11.290 3.737 ( -15.690 -9.059 0.194) 18.118 5.288 ( -3.100 -1.790 0.411) 3.604 5.687 ( -1.003 -0.579 3.046) 3.259 5.920 ( -2.105 -1.215 -0.279) 2.446 6.343 ( 8.520 4.919 -5.249) 11.150 6.610 ( 7.133 4.118 1.522) 8.376 7.815 ( 3.255 1.879 3.990) 5.481======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( -6.860 -3.960 4.239) 8.984 1.500 ( -12.628 -7.291 9.925) 17.638 1.872 ( -4.654 -2.687 -2.376) 5.876 2.054 ( -9.145 -5.280 -1.836) 10.718 2.771 ( 6.234 3.599 -1.603) 7.374 3.285 ( -23.376 -13.496 -1.503) 27.034 5.188 ( -5.626 -3.248 0.482) 6.514 5.718 ( 2.852 1.646 2.459) 4.109 5.900 ( 0.628 0.363 -0.483) 0.872 6.475 ( 4.592 2.651 -5.193) 7.422 6.820 ( 10.556 6.094 -0.185) 12.190 7.925 ( 5.006 2.890 5.130) 7.728======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -12.428 -7.176 6.852) 15.903 1.214 ( -15.190 -8.770 10.287) 20.334 1.712 ( -9.228 -5.328 -4.296) 11.489 1.870 ( -6.018 -3.474 -2.900) 7.529 2.681 ( -26.645 -15.383 1.670) 30.812 2.895 ( 3.377 1.950 -3.068) 4.962 5.050 ( -6.208 -3.584 0.259) 7.173 5.820 ( 5.352 3.090 1.118) 6.280 5.942 ( 2.924 1.688 -0.424) 3.403 6.530 ( 1.638 0.946 -4.123) 4.536 7.072 ( 11.484 6.630 -0.667) 13.277 8.054 ( 4.637 2.677 3.964) 6.662======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( -16.303 -9.413 9.427) 21.054 0.872 ( -17.433 -10.065 10.433) 22.673 1.374 ( -20.583 -11.884 -5.382) 24.369 1.764 ( -2.734 -1.579 -3.059) 4.396 2.118 ( -20.174 -11.647 1.125) 23.322 2.958 ( 2.155 1.244 -0.909) 2.650 4.922 ( -4.758 -2.747 0.117) 5.495 5.951 ( 5.601 3.234 -0.115) 6.468 6.016 ( 3.399 1.962 -0.331) 3.938 6.528 ( -0.588 -0.339 -5.433) 5.476 7.331 ( 10.936 6.314 0.901) 12.660 8.140 ( 1.950 1.126 0.758) 2.375======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( 0.000 22.091 6.680) 23.079 0.619 ( 0.000 17.294 16.903) 24.183 0.915 ( 0.000 24.273 25.389) 35.125 1.683 ( -0.000 0.411 -4.797) 4.814 1.797 ( -0.000 10.045 -2.294) 10.304 3.024 ( 0.000 -8.250 2.171) 8.531 4.845 ( -0.000 2.758 0.671) 2.838 6.009 ( -0.000 10.007 -18.326) 20.880 6.078 ( 0.000 -2.579 -0.552) 2.637 6.135 ( -0.000 19.025 -22.781) 29.681 7.593 ( 0.000 -7.964 4.148) 8.980 8.106 ( -0.000 0.268 -4.643) 4.650======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -2.462 15.940 16.086) 22.779 0.826 ( 3.582 22.081 0.872) 22.387 1.424 ( 16.994 14.610 16.062) 27.572 1.720 ( 4.779 1.490 -4.348) 6.630 1.974 ( 7.648 18.294 -2.531) 19.990 2.946 ( -1.474 -3.048 -3.242) 4.688 4.903 ( 2.469 4.119 0.818) 4.872 5.976 ( -2.683 -5.093 -1.455) 5.937 6.029 ( -1.503 -3.194 -0.657) 3.591 6.322 ( 7.577 10.492 -19.142) 23.106 7.463 ( -5.401 -11.022 6.047) 13.683 8.070 ( -2.692 0.037 -6.995) 7.496======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 4.498 11.904 8.575) 15.344 1.096 ( 4.522 18.533 -2.898) 19.295 1.729 ( 7.262 3.970 4.305) 9.329 1.846 ( 5.958 5.604 -0.306) 8.185 2.430 ( 18.776 21.000 -1.385) 28.204 2.913 ( 1.599 0.060 -1.753) 2.373 5.011 ( 4.161 5.553 0.798) 6.985 5.848 ( -5.331 -4.831 -1.567) 7.363 5.966 ( -1.997 -2.658 -0.344) 3.342 6.453 ( 5.375 2.186 -8.661) 10.425 7.247 ( -8.702 -11.502 6.520) 15.828 7.970 ( -5.049 -1.643 -8.108) 9.692======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 6.764 7.800 2.157) 10.547 1.319 ( 4.051 14.218 -5.081) 15.632 1.865 ( 4.707 2.027 1.485) 5.336 2.023 ( 6.517 9.108 0.306) 11.204 2.739 ( 3.083 1.926 -5.011) 6.190 3.151 ( 17.449 14.624 4.417) 23.191 5.149 ( 4.317 6.679 0.496) 7.968 5.711 ( -4.722 -3.394 -2.048) 6.166 5.918 ( -1.186 -0.947 -0.170) 1.527 6.498 ( 1.924 -1.569 -4.047) 4.748 6.982 ( -11.394 -10.985 4.831) 16.548 7.838 ( -4.479 -2.713 -6.771) 8.560======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 5.576 4.981 -0.500) 7.494 1.498 ( 5.143 10.919 -6.457) 13.688 1.945 ( 2.800 0.801 0.639) 2.982 2.238 ( 6.327 10.636 0.637) 12.391 2.720 ( -2.592 -2.118 -0.483) 3.381 3.596 ( 15.513 12.132 2.110) 19.806 5.277 ( 2.230 6.997 -0.073) 7.344 5.627 ( -1.253 -1.141 -2.137) 2.728 5.915 ( 0.966 0.835 0.183) 1.290 6.475 ( -0.886 -2.557 -1.553) 3.120 6.674 ( -13.258 -9.695 0.948) 16.452 7.743 ( -1.354 -3.003 -3.379) 4.719======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( 2.228 3.707 -1.009) 4.441 1.689 ( 8.333 8.431 -6.909) 13.720 1.986 ( 1.632 -0.026 -0.044) 1.633 2.418 ( 2.922 6.553 1.334) 7.298 2.626 ( -6.578 0.399 1.715) 6.810 3.905 ( 9.256 6.556 1.033) 11.390 5.357 ( -0.652 6.807 -0.569) 6.861 5.640 ( 3.474 0.878 -1.748) 3.987 5.958 ( 2.231 1.239 0.544) 2.609 6.340 ( -13.438 -5.684 2.315) 14.773 6.453 ( -0.431 -3.085 -3.680) 4.822 7.707 ( 0.969 -2.998 -0.639) 3.215======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 0.173 2.800 -0.737) 2.901 1.892 ( 9.029 5.375 -6.561) 12.387 2.000 ( 0.619 -0.672 -1.042) 1.386 2.397 ( -5.413 -4.780 4.086) 8.297 2.595 ( -4.960 10.981 0.066) 12.049 4.054 ( 3.205 1.829 1.143) 3.863 5.392 ( -2.544 6.516 -0.615) 7.022 5.735 ( 6.152 0.458 -1.486) 6.346 5.995 ( 0.486 0.056 0.818) 0.953 6.100 ( -9.049 -1.340 1.251) 9.233 6.435 ( 1.065 -1.237 -1.399) 2.150 7.704 ( 1.829 -2.808 0.669) 3.417======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( -1.248 1.645 -0.045) 2.066 1.975 ( -1.534 -1.537 -0.126) 2.175 2.014 ( 1.550 -1.977 -2.828) 3.782 2.319 ( 1.149 0.637 0.539) 1.420 2.587 ( -8.154 9.438 -0.427) 12.479 4.059 ( -3.199 -1.908 1.470) 4.004 5.397 ( -3.758 5.694 -0.273) 6.827 5.763 ( -0.847 -4.546 0.233) 4.630 6.006 ( -1.819 0.460 1.787) 2.591 6.063 ( 4.152 5.681 -1.360) 7.166 6.454 ( 2.574 -0.541 -0.197) 2.637 7.719 ( 2.588 -2.334 1.566) 3.821======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -2.732 -0.326 1.049) 2.945 1.870 ( -7.674 -3.862 4.610) 9.749 1.970 ( -1.495 -2.445 -1.031) 3.045 2.372 ( -2.073 -0.294 -1.479) 2.564 2.552 ( -1.476 8.964 -3.013) 9.572 3.905 ( -11.495 -5.331 1.068) 12.715 5.369 ( -5.222 3.695 0.194) 6.400 5.701 ( -1.230 -2.782 2.199) 3.753 5.955 ( -3.272 -0.646 0.442) 3.364 6.244 ( 7.994 6.739 -4.118) 11.237 6.524 ( 5.962 0.579 1.058) 6.083 7.763 ( 4.246 -1.315 2.799) 5.253======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( -5.111 -3.927 3.051) 7.131 1.698 ( -10.701 -2.166 6.595) 12.755 1.906 ( -2.975 -2.598 -1.760) 4.324 2.214 ( -12.443 -0.341 -0.782) 12.473 2.683 ( 6.849 4.711 -3.297) 8.943 3.562 ( -20.934 -8.214 0.091) 22.488 5.286 ( -7.219 0.706 0.497) 7.270 5.695 ( 1.636 -0.294 2.273) 2.816 5.908 ( -1.590 0.284 -0.191) 1.626 6.401 ( 5.612 4.071 -5.537) 8.873 6.684 ( 10.329 2.580 0.869) 10.682 7.857 ( 6.228 0.045 3.623) 7.206======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -9.583 -8.553 5.896) 14.134 1.499 ( -14.035 0.090 5.897) 15.224 1.794 ( -6.372 -3.127 -2.250) 7.446 1.993 ( -11.528 -0.319 -1.586) 11.641 2.822 ( 5.883 2.402 -1.996) 6.660 3.047 ( -28.400 -9.124 -0.296) 29.831 5.149 ( -8.135 -1.277 0.477) 8.249 5.761 ( 4.587 1.320 1.173) 4.915 5.913 ( 1.421 1.068 -0.403) 1.823 6.488 ( 3.096 1.900 -4.847) 6.058 6.914 ( 12.491 3.357 0.416) 12.941 7.985 ( 6.665 0.574 2.511) 7.145======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -14.024 -10.386 8.008) 19.201 1.232 ( -18.730 -1.269 2.951) 19.003 1.602 ( -13.340 -1.870 0.463) 13.478 1.829 ( -6.886 0.622 -2.383) 7.314 2.458 ( -29.330 -6.504 -0.327) 30.045 2.915 ( 3.619 1.095 -1.341) 4.012 5.004 ( -7.028 -1.229 0.375) 7.145 5.872 ( 6.225 1.379 -0.068) 6.376 5.966 ( 3.443 0.820 -0.352) 3.557 6.518 ( 0.383 1.027 -5.286) 5.398 7.169 ( 13.201 2.727 1.825) 13.602 8.090 ( 4.640 -0.328 -0.695) 4.703======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -0.000 20.008 4.177) 20.439 1.042 ( 0.000 15.782 13.027) 20.464 1.466 ( 0.000 17.028 14.688) 22.488 1.674 ( -0.000 2.739 -6.857) 7.384 2.112 ( -0.000 23.633 -1.614) 23.688 2.912 ( -0.000 -3.448 -4.430) 5.614 4.931 ( -0.000 5.506 0.772) 5.560 5.936 ( -0.000 -5.238 -1.446) 5.434 6.006 ( 0.000 -3.994 -0.679) 4.052 6.309 ( -0.000 8.958 -15.681) 18.060 7.400 ( 0.000 -13.850 5.654) 14.959 8.078 ( -0.000 -0.071 -6.627) 6.627======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -4.485 13.924 11.680) 18.720 1.235 ( 0.975 18.173 -0.290) 18.202 1.679 ( 4.320 5.878 3.157) 7.949 1.786 ( 8.124 7.772 0.219) 11.245 2.429 ( 7.916 25.507 -2.661) 26.839 2.880 ( 1.186 -0.149 -2.469) 2.744 5.017 ( 2.639 6.770 0.946) 7.328 5.860 ( -2.519 -5.465 -1.099) 6.117 5.957 ( -0.739 -3.401 -0.545) 3.522 6.367 ( 3.619 2.921 -9.961) 10.993 7.241 ( -3.745 -14.526 5.521) 15.985 8.017 ( -4.012 -1.239 -6.782) 7.977======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -1.399 10.606 7.209) 12.900 1.409 ( 1.073 14.593 -3.799) 15.118 1.811 ( 4.732 3.645 1.364) 6.126 2.007 ( 7.406 10.317 0.576) 12.713 2.689 ( 3.677 4.153 -6.987) 8.921 3.068 ( 11.936 17.669 4.267) 21.746 5.155 ( 4.232 8.248 1.243) 9.353 5.746 ( -4.238 -4.173 -1.644) 6.170 5.919 ( -0.481 -1.609 -0.600) 1.784 6.413 ( 3.602 -1.793 -5.874) 7.120 7.028 ( -6.513 -13.722 4.890) 15.957 7.886 ( -6.219 -2.548 -6.312) 9.220======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 1.558 8.155 3.543) 9.027 1.540 ( 1.359 11.033 -5.225) 12.283 1.905 ( 3.039 1.288 0.980) 3.443 2.252 ( 6.789 12.856 0.933) 14.568 2.714 ( 1.007 -0.724 -2.668) 2.942 3.489 ( 13.504 16.208 2.270) 21.218 5.316 ( 3.419 9.318 1.249) 10.004 5.643 ( -3.048 -2.075 -1.811) 4.108 5.910 ( 0.424 0.560 -0.929) 1.165 6.419 ( 2.180 -3.798 -4.050) 5.965 6.779 ( -9.526 -11.586 3.280) 15.354 7.743 ( -4.370 -3.639 -4.321) 7.143======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 1.671 6.519 1.636) 6.926 1.659 ( 3.483 8.713 -5.204) 10.730 1.954 ( 1.981 -0.039 0.304) 2.004 2.444 ( 2.368 5.706 2.101) 6.525 2.730 ( -0.801 6.856 -0.449) 6.918 3.819 ( 9.669 9.033 0.990) 13.269 5.446 ( 0.451 9.284 0.790) 9.329 5.604 ( 0.434 0.104 -1.452) 1.519 5.938 ( 1.710 1.593 -0.974) 2.532 6.399 ( 1.292 -3.761 -3.666) 5.409 6.505 ( -11.676 -7.406 2.169) 13.996 7.654 ( -0.276 -4.512 -1.713) 4.834======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -0.327 5.256 0.422) 5.283 1.802 ( 5.993 6.189 -4.789) 9.856 1.976 ( 1.100 -0.805 -0.320) 1.401 2.439 ( -3.186 -3.818 3.232) 5.930 2.820 ( -4.012 16.628 -0.373) 17.110 4.005 ( 5.315 2.544 0.936) 5.966 5.520 ( -2.438 8.926 0.300) 9.258 5.645 ( 3.918 0.420 -0.936) 4.050 5.982 ( 1.848 1.128 -0.880) 2.337 6.244 ( -9.830 -4.083 0.203) 10.647 6.402 ( 0.597 -0.710 -0.977) 1.347 7.626 ( 2.466 -4.870 -0.035) 5.459======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( -1.994 3.998 0.232) 4.474 1.929 ( 4.933 1.329 -4.263) 6.654 1.974 ( -0.010 -1.193 -0.781) 1.426 2.346 ( -3.347 -2.416 2.917) 5.055 2.870 ( -9.453 16.086 -0.494) 18.665 4.067 ( 1.041 -1.544 1.344) 2.296 5.543 ( -4.466 7.776 0.143) 8.969 5.703 ( 2.743 -2.389 -0.304) 3.650 6.033 ( 3.385 3.108 -1.398) 4.803 6.096 ( -5.895 0.486 1.616) 6.132 6.410 ( 1.253 -0.555 -0.766) 1.570 7.633 ( 3.590 -4.611 0.833) 5.903======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -3.640 1.895 0.575) 4.143 1.938 ( -2.995 -2.092 0.975) 3.781 1.949 ( 0.426 -2.594 -2.237) 3.452 2.339 ( 2.425 1.166 -0.044) 2.691 2.810 ( -13.148 12.080 -0.730) 17.870 4.012 ( -5.289 -3.521 1.246) 6.475 5.521 ( -6.013 5.494 0.450) 8.157 5.686 ( -0.409 -3.151 0.757) 3.266 6.026 ( -4.305 0.958 0.921) 4.505 6.171 ( 6.947 6.351 -2.781) 9.815 6.437 ( 3.543 -1.219 0.340) 3.762 7.666 ( 4.810 -3.662 1.505) 6.230======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( -5.499 -1.207 1.526) 5.833 1.840 ( -6.539 -1.510 2.536) 7.174 1.913 ( -1.186 -2.151 -1.512) 2.885 2.375 ( -2.653 0.853 -0.369) 2.811 2.704 ( -7.022 7.039 -1.595) 10.070 3.810 ( -14.444 -4.320 0.663) 15.091 5.442 ( -8.252 2.666 0.683) 8.699 5.665 ( 1.026 -1.780 1.076) 2.319 5.964 ( -4.102 1.100 0.191) 4.251 6.334 ( 5.816 5.154 -4.857) 9.163 6.532 ( 8.703 -0.516 1.677) 8.878 7.741 ( 6.787 -2.180 1.686) 7.326======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -8.333 -3.617 2.829) 9.514 1.700 ( -9.294 -1.158 0.669) 9.390 1.855 ( -3.545 -0.851 -0.425) 3.671 2.223 ( -13.772 0.813 0.196) 13.797 2.741 ( 4.429 2.485 -2.032) 5.470 3.442 ( -23.875 -3.446 0.666) 24.132 5.301 ( -9.739 0.223 0.697) 9.766 5.696 ( 3.547 -0.509 0.273) 3.594 5.922 ( -1.602 0.813 -0.252) 1.814 6.439 ( 3.760 2.774 -3.824) 6.038 6.723 ( 12.270 0.767 1.350) 12.368 7.857 ( 8.013 -1.256 0.343) 8.118======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -12.429 -3.158 3.422) 13.273 1.483 ( -13.841 -3.348 -3.203) 14.596 1.774 ( -6.585 1.707 2.091) 7.116 1.998 ( -12.072 0.747 0.185) 12.097 2.815 ( -0.597 -0.358 -6.140) 6.179 2.980 ( -24.559 1.276 4.934) 25.082 5.138 ( -9.053 -0.198 0.573) 9.073 5.770 ( 5.605 -0.658 -0.827) 5.704 5.926 ( 1.470 0.187 -0.174) 1.492 6.501 ( 1.962 1.979 -3.058) 4.137 6.958 ( 13.651 0.207 2.414) 13.864 7.972 ( 7.032 -1.737 -2.703) 7.731======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 0.000 7.579 6.492) 9.979 1.378 ( -0.000 15.754 0.772) 15.773 1.753 ( -0.000 10.195 -4.755) 11.249 1.767 ( 0.000 8.099 7.936) 11.339 2.584 ( -0.000 17.016 -7.449) 18.575 2.894 ( -0.000 9.652 2.255) 9.912 5.063 ( -0.000 7.112 0.594) 7.137 5.828 ( 0.000 -4.756 -0.551) 4.788 5.927 ( 0.000 -3.275 -0.518) 3.315 6.331 ( -0.000 0.961 -8.018) 8.075 7.136 ( 0.000 -15.568 4.338) 16.162 8.021 ( -0.000 -1.808 -5.831) 6.105======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -2.357 5.520 3.307) 6.853 1.524 ( 0.311 12.258 -2.516) 12.518 1.819 ( 0.267 6.946 2.532) 7.398 1.974 ( 8.189 10.787 0.564) 13.555 2.648 ( 1.636 0.320 -7.283) 7.471 3.135 ( 5.490 23.770 4.281) 24.768 5.168 ( 3.661 7.491 0.708) 8.368 5.761 ( -2.539 -3.635 -1.128) 4.576 5.902 ( 0.233 -1.524 -0.393) 1.591 6.326 ( 2.064 -2.030 -5.244) 5.990 6.972 ( -2.514 -15.045 3.331) 15.613 7.942 ( -4.597 -2.575 -5.136) 7.358======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 0.094 5.551 2.403) 6.050 1.619 ( -0.118 9.323 -4.706) 10.444 1.889 ( 1.239 2.774 1.871) 3.568 2.246 ( 8.893 12.569 0.935) 15.426 2.658 ( 3.064 -1.523 -2.894) 4.481 3.490 ( 7.911 20.224 2.212) 21.829 5.333 ( 5.649 8.286 1.254) 10.106 5.675 ( -3.415 -1.892 -1.556) 4.203 5.903 ( 0.602 0.625 -1.159) 1.448 6.323 ( 2.528 -4.035 -3.375) 5.837 6.781 ( -4.414 -13.194 2.433) 14.124 7.797 ( -6.815 -3.140 -4.164) 8.582======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( 1.777 6.065 2.526) 6.806 1.689 ( 0.906 7.119 -4.716) 8.588 1.930 ( 1.182 0.731 0.861) 1.635 2.451 ( 2.753 3.423 2.309) 4.963 2.761 ( 6.907 8.983 -0.803) 11.360 3.782 ( 6.495 12.019 0.719) 13.680 5.504 ( 3.538 7.885 1.540) 8.778 5.617 ( -1.494 0.680 -1.097) 1.974 5.924 ( 1.070 1.601 -2.482) 3.142 6.317 ( 2.533 -3.834 -2.480) 5.221 6.582 ( -6.218 -9.595 1.842) 11.582 7.647 ( -4.929 -3.748 -2.662) 6.741======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 0.421 5.991 1.687) 6.238 1.772 ( 3.094 5.151 -3.275) 6.844 1.951 ( 0.923 -0.277 0.203) 0.985 2.452 ( -1.642 -3.393 2.601) 4.579 3.006 ( 3.786 17.896 -0.106) 18.292 3.946 ( 4.046 3.024 0.297) 5.060 5.590 ( 1.471 2.608 0.573) 3.049 5.647 ( -0.429 5.898 0.324) 5.923 5.948 ( 1.716 -0.004 -3.159) 3.594 6.308 ( -1.091 -2.184 -1.475) 2.852 6.421 ( -3.986 -2.864 1.440) 5.115 7.552 ( -0.578 -4.642 -1.127) 4.811======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( -1.883 5.405 0.930) 5.799 1.860 ( 3.642 1.683 -2.669) 4.819 1.958 ( 0.461 -0.657 -0.237) 0.837 2.381 ( -2.913 -3.114 2.297) 4.844 3.184 ( -5.498 19.348 -0.269) 20.116 4.001 ( 3.443 -3.676 0.734) 5.090 5.642 ( 1.701 -0.414 -0.100) 1.754 5.676 ( -2.049 6.008 1.076) 6.438 5.970 ( 3.411 -1.783 -3.034) 4.901 6.230 ( -5.934 2.886 1.694) 6.812 6.399 ( 0.016 0.479 -0.855) 0.980 7.525 ( 2.923 -5.063 -0.075) 5.847======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( -4.224 3.590 0.789) 5.600 1.898 ( 1.880 -1.723 -2.244) 3.397 1.952 ( -0.502 -0.751 -0.202) 0.926 2.334 ( -0.624 -0.448 1.491) 1.677 3.178 ( -14.232 13.996 -0.395) 19.965 4.009 ( 1.699 -4.552 0.906) 4.943 5.621 ( -1.807 -0.906 0.096) 2.023 5.701 ( -2.243 2.742 1.078) 3.703 6.026 ( 5.185 -0.901 -2.704) 5.916 6.203 ( -3.577 7.430 1.860) 8.453 6.391 ( 0.199 -1.415 -0.918) 1.698 7.546 ( 4.730 -4.167 0.419) 6.318======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -6.185 0.509 0.829) 6.261 1.894 ( -0.131 -1.353 -2.667) 2.993 1.916 ( -2.563 -0.639 1.443) 3.010 2.361 ( 2.636 0.680 0.864) 2.857 2.999 ( -16.980 5.973 -0.265) 18.002 3.952 ( -5.397 -2.455 0.445) 5.946 5.578 ( -3.654 0.131 0.616) 3.708 5.661 ( -3.023 -0.128 0.445) 3.058 6.047 ( -2.824 0.783 -1.214) 3.172 6.283 ( 4.374 6.267 -2.049) 7.912 6.402 ( 4.532 -2.995 1.313) 5.589 7.607 ( 6.157 -2.353 0.192) 6.594======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( -7.402 -0.931 0.945) 7.520 1.810 ( -6.010 -1.731 -3.079) 6.971 1.898 ( -1.435 0.983 1.265) 2.151 2.392 ( -2.786 0.407 1.283) 3.094 2.779 ( -9.280 0.633 -0.355) 9.308 3.765 ( -15.106 -0.185 0.350) 15.111 5.469 ( -8.910 -0.375 0.688) 8.944 5.644 ( 1.410 -0.604 -0.528) 1.622 5.976 ( -4.151 -0.166 -0.918) 4.255 6.396 ( 3.456 3.272 -2.331) 5.299 6.522 ( 11.235 -1.650 1.886) 11.511 7.707 ( 7.443 -1.032 -1.150) 7.601======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -9.222 0.348 0.275) 9.232 1.639 ( -10.109 -2.836 -5.225) 11.728 1.880 ( -3.087 2.217 1.705) 4.166 2.232 ( -13.680 -0.385 1.047) 13.726 2.750 ( 3.442 -0.516 -1.013) 3.625 3.451 ( -22.966 3.567 1.600) 23.296 5.299 ( -9.678 -0.799 0.491) 9.723 5.677 ( 3.476 -0.888 -1.720) 3.978 5.922 ( -1.303 -0.591 -0.323) 1.466 6.469 ( 3.133 1.518 -0.869) 3.589 6.726 ( 13.310 -1.691 1.910) 13.552 7.819 ( 7.309 -1.234 -3.625) 8.251======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -0.000 1.364 -0.886) 1.626 1.624 ( -0.000 9.902 -3.703) 10.572 1.907 ( 0.000 3.167 2.246) 3.883 2.000 ( -0.000 14.216 -0.028) 14.216 2.601 ( -0.000 -2.789 -3.820) 4.730 3.351 ( -0.000 25.235 3.421) 25.466 5.197 ( -0.000 5.682 -0.131) 5.684 5.750 ( -0.000 -2.430 -1.489) 2.849 5.891 ( 0.000 0.187 0.139) 0.233 6.274 ( -0.000 -2.738 -2.938) 4.016 6.851 ( 0.000 -14.714 1.630) 14.804 7.943 ( -0.000 -2.838 -4.093) 4.980======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 1.258 1.704 -1.111) 2.391 1.687 ( -0.291 6.576 -6.011) 8.914 1.921 ( -0.763 2.144 0.948) 2.465 2.217 ( 8.173 12.432 0.464) 14.885 2.580 ( 2.036 -3.347 0.189) 3.922 3.618 ( 2.602 21.235 1.977) 21.485 5.296 ( 5.693 4.806 -0.117) 7.451 5.706 ( -2.290 -1.126 -2.152) 3.338 5.906 ( 0.194 2.241 -0.038) 2.249 6.248 ( 1.021 -3.427 -0.779) 3.660 6.702 ( -1.526 -13.035 0.357) 13.128 7.862 ( -4.755 -2.854 -3.257) 6.431======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 3.602 3.075 0.424) 4.754 1.723 ( 0.545 4.527 -5.612) 7.231 1.934 ( -0.005 1.103 0.735) 1.325 2.440 ( 3.395 3.834 2.478) 5.689 2.665 ( 10.970 4.660 0.185) 11.920 3.844 ( 2.211 14.271 0.662) 14.457 5.472 ( 8.264 5.009 0.462) 9.675 5.651 ( -2.368 0.288 -1.815) 2.997 5.931 ( -0.315 2.751 -1.485) 3.142 6.237 ( 1.888 -3.276 0.378) 3.800 6.553 ( -2.327 -10.177 -0.131) 10.440 7.720 ( -7.174 -2.495 -2.451) 7.982======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 3.843 3.901 1.160) 5.598 1.768 ( 1.602 3.544 -3.092) 4.968 1.944 ( 0.161 0.306 0.382) 0.516 2.451 ( -1.054 -2.633 2.569) 3.827 2.996 ( 14.731 12.051 0.144) 19.033 3.961 ( -0.659 6.005 -0.073) 6.041 5.604 ( 0.155 2.448 0.226) 2.463 5.670 ( 4.254 3.660 -0.055) 5.613 5.928 ( -1.132 0.263 -2.947) 3.168 6.265 ( 3.673 -0.693 0.382) 3.757 6.433 ( -2.072 -5.904 0.428) 6.272 7.572 ( -6.102 -2.389 -1.592) 6.744======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 1.451 4.474 0.649) 4.748 1.819 ( 1.897 1.002 -1.134) 2.426 1.948 ( 0.191 -0.135 0.068) 0.244 2.400 ( -2.119 -2.731 1.538) 3.784 3.351 ( 9.416 15.569 0.284) 18.197 3.939 ( -2.842 -3.373 -0.154) 4.413 5.627 ( 0.615 1.358 0.474) 1.565 5.750 ( 0.190 3.857 0.758) 3.936 5.891 ( 0.472 -3.244 -2.987) 4.435 6.319 ( -0.204 2.489 0.318) 2.517 6.391 ( 1.377 -0.977 0.449) 1.747 7.469 ( -2.138 -2.874 -0.720) 3.653======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -2.917 3.862 0.758) 4.899 1.842 ( 2.269 -1.721 -1.098) 3.052 1.949 ( 0.109 -0.181 -0.091) 0.230 2.349 ( -1.585 -1.259 0.878) 2.207 3.538 ( -9.678 15.073 -0.057) 17.913 3.869 ( 6.139 -9.261 0.261) 11.114 5.631 ( -0.927 -0.543 0.187) 1.090 5.769 ( -2.119 2.441 1.111) 3.418 5.904 ( 5.652 -1.706 -2.191) 6.297 6.327 ( -1.654 3.535 1.547) 4.198 6.396 ( -1.830 -0.137 -1.067) 2.122 7.445 ( 2.449 -2.330 -0.150) 3.384======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( -5.759 -0.529 0.372) 5.796 1.871 ( 1.509 0.805 -0.896) 1.931 1.944 ( -0.792 0.066 0.104) 0.801 2.335 ( 0.753 -0.397 1.012) 1.323 3.339 ( -18.050 0.215 0.166) 18.052 3.945 ( 4.178 -0.423 -0.083) 4.200 5.605 ( -1.368 -0.033 0.358) 1.414 5.731 ( -3.469 -0.713 0.175) 3.546 6.011 ( 5.991 1.145 -1.855) 6.375 6.322 ( -2.192 -4.272 -0.780) 4.864 6.347 ( -1.133 4.077 1.564) 4.511 7.497 ( 4.840 -0.225 -0.395) 4.861======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -6.316 -1.318 0.272) 6.458 1.869 ( -3.155 0.799 -3.277) 4.619 1.933 ( -0.791 1.353 1.320) 2.049 2.374 ( 3.360 -0.293 2.211) 4.033 3.004 ( -16.884 -5.513 0.260) 17.763 3.945 ( -5.217 1.780 -0.251) 5.518 5.574 ( -3.846 -0.613 0.252) 3.903 5.652 ( -3.126 -0.754 -0.501) 3.254 6.034 ( -3.110 -0.854 -2.332) 3.980 6.325 ( 8.369 -4.564 1.746) 9.691 6.382 ( 1.104 3.025 -0.303) 3.234 7.592 ( 5.600 1.393 -1.366) 5.931======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -6.566 0.291 -0.510) 6.592 1.760 ( -8.151 -0.142 -5.599) 9.890 1.941 ( -1.206 2.103 1.200) 2.704 2.402 ( -3.982 -0.500 2.279) 4.615 2.727 ( -5.686 -5.456 0.793) 7.920 3.807 ( -13.697 3.837 0.312) 14.227 5.437 ( -8.211 -3.076 0.139) 8.770 5.637 ( 0.337 0.819 -1.921) 2.115 5.954 ( -3.290 -0.809 -0.769) 3.474 6.414 ( 4.534 -2.844 3.141) 6.206 6.494 ( 10.546 -0.500 -2.014) 10.748 7.697 ( 5.545 1.311 -2.803) 6.350======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.000 0.573 -2.200) 2.273 1.714 ( -0.000 2.959 -8.703) 9.193 1.941 ( -0.000 0.719 -0.196) 0.746 2.259 ( -0.000 11.265 0.580) 11.280 2.536 ( 0.000 -3.596 3.770) 5.210 3.801 ( -0.000 18.157 1.188) 18.195 5.271 ( -0.000 2.173 -0.788) 2.312 5.710 ( -0.000 -0.343 -3.096) 3.115 5.938 ( -0.000 3.912 0.702) 3.974 6.213 ( 0.000 -2.718 1.836) 3.280 6.592 ( 0.000 -11.206 -1.397) 11.292 7.868 ( -0.000 -2.656 -2.404) 3.582======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 3.416 1.162 -1.076) 3.765 1.715 ( 1.317 1.235 -7.686) 7.896 1.946 ( -0.167 0.671 0.396) 0.797 2.425 ( 5.256 6.883 1.185) 8.741 2.539 ( 4.719 -1.456 3.255) 5.914 3.963 ( 0.364 12.786 0.276) 12.795 5.354 ( 7.722 1.671 -0.551) 7.920 5.685 ( -1.724 0.463 -2.683) 3.222 5.975 ( -0.813 3.919 0.092) 4.003 6.197 ( 0.232 -2.409 2.778) 3.684 6.482 ( -0.780 -8.222 -2.033) 8.506 7.797 ( -4.582 -2.010 -1.764) 5.306======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 5.634 1.773 0.214) 5.911 1.749 ( 2.802 1.755 -3.621) 4.904 1.949 ( -0.222 0.221 0.377) 0.490 2.456 ( -1.141 -1.865 2.496) 3.318 2.793 ( 17.307 5.705 0.255) 18.224 4.053 ( -1.597 6.884 -0.253) 7.072 5.540 ( 10.666 2.061 -0.179) 10.865 5.655 ( -1.617 1.009 -1.395) 2.362 5.974 ( -2.843 1.945 -0.806) 3.538 6.198 ( 2.149 -2.028 1.897) 3.512 6.400 ( -0.717 -4.341 -1.120) 4.540 7.674 ( -7.208 -1.067 -1.219) 7.388======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 5.338 1.353 -0.088) 5.508 1.805 ( 1.760 1.504 -0.301) 2.335 1.947 ( -0.091 -0.076 0.177) 0.213 2.413 ( -1.829 -1.961 0.741) 2.782 3.173 ( 20.053 4.852 0.215) 20.633 4.030 ( -6.170 1.562 -0.398) 6.377 5.642 ( -0.662 1.100 0.074) 1.286 5.713 ( 6.712 1.235 -0.603) 6.851 5.914 ( -4.579 -0.020 -0.405) 4.597 6.263 ( 6.587 -0.507 0.114) 6.608 6.367 ( -0.182 -1.078 0.330) 1.142 7.537 ( -7.059 -0.452 -0.592) 7.099======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 4.393 -0.336 -0.377) 4.422 1.817 ( -1.370 0.512 0.481) 1.540 1.947 ( 0.073 -0.008 0.058) 0.094 2.368 ( -1.776 -0.841 -0.348) 1.996 3.537 ( 18.301 -0.361 -0.001) 18.305 3.875 ( -12.000 0.293 -0.101) 12.004 5.639 ( -0.275 -0.400 -0.211) 0.530 5.803 ( 3.085 -2.055 -1.339) 3.941 5.845 ( -2.780 3.445 1.845) 4.796 6.353 ( -0.346 0.120 -0.127) 0.388 6.379 ( 4.622 -0.641 0.012) 4.667 7.442 ( -3.303 0.423 0.071) 3.331======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -2.811 -4.368 -0.324) 5.204 1.857 ( 2.301 2.955 0.505) 3.779 1.950 ( 0.184 0.301 0.034) 0.354 2.336 ( -1.196 -0.213 -0.422) 1.285 3.539 ( -9.150 -15.073 0.042) 17.633 3.865 ( 5.546 8.979 -0.126) 10.554 5.630 ( -0.420 0.383 0.034) 0.570 5.753 ( -1.923 -3.267 -0.558) 3.832 5.935 ( 4.439 4.295 1.040) 6.263 6.303 ( -2.729 -4.800 -0.851) 5.587 6.412 ( -0.513 0.492 0.521) 0.881 7.447 ( 1.968 2.556 0.064) 3.226======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( -4.035 -3.747 -0.125) 5.508 1.915 ( 0.137 3.318 -0.596) 3.374 1.957 ( -0.204 1.036 0.314) 1.101 2.327 ( 1.157 -0.952 0.878) 1.737 3.185 ( -14.112 -13.879 0.268) 19.795 3.996 ( 1.552 4.099 -0.417) 4.403 5.628 ( -2.271 1.189 0.738) 2.668 5.681 ( -1.826 -3.257 -1.062) 3.882 6.043 ( 2.138 2.529 -1.168) 3.512 6.188 ( -0.243 -7.897 0.573) 7.921 6.405 ( -0.702 0.891 0.467) 1.227 7.536 ( 3.926 4.017 -0.618) 5.651======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -4.122 -1.888 -0.377) 4.549 1.888 ( -6.288 3.309 -4.247) 8.278 1.975 ( -0.124 1.978 0.576) 2.064 2.375 ( 4.738 -1.374 3.390) 5.986 2.820 ( -12.636 -11.896 0.335) 17.358 3.998 ( -5.056 3.085 -0.240) 5.927 5.517 ( -6.199 -5.543 -0.015) 8.316 5.666 ( -1.445 3.237 -1.279) 3.768 6.002 ( -3.420 -0.793 -1.400) 3.779 6.222 ( 8.645 -6.941 2.312) 11.325 6.423 ( 1.708 1.710 -1.150) 2.677 7.639 ( 3.723 3.685 -1.279) 5.392======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.000 0.588 -1.136) 1.279 1.681 ( -0.000 0.194 -6.230) 6.233 1.955 ( 0.000 0.413 0.589) 0.719 2.435 ( -0.000 6.060 0.275) 6.066 2.494 ( 0.000 -3.189 3.788) 4.952 4.069 ( -0.000 8.736 -0.330) 8.742 5.289 ( -0.000 0.472 -0.426) 0.636 5.699 ( -0.000 0.832 -2.129) 2.286 6.022 ( -0.000 3.429 0.316) 3.443 6.184 ( 0.000 -2.135 2.589) 3.356 6.416 ( -0.000 -4.894 -2.177) 5.356 7.815 ( -0.000 -1.478 -1.232) 1.924======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 4.485 0.671 -0.237) 4.541 1.702 ( 2.781 1.657 -1.512) 3.573 1.956 ( -0.283 0.027 0.512) 0.586 2.462 ( -0.866 -1.887 1.346) 2.475 2.581 ( 10.939 2.312 0.334) 11.186 4.127 ( -0.604 4.135 -0.660) 4.231 5.371 ( 8.712 0.504 -0.090) 8.727 5.691 ( -1.449 1.093 -0.525) 1.889 6.034 ( -1.738 1.672 -0.195) 2.419 6.166 ( 0.035 -2.156 0.291) 2.176 6.377 ( -0.386 -1.423 -0.397) 1.527 7.764 ( -4.269 -0.508 -0.854) 4.383======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( 5.983 -0.138 -0.451) 6.002 1.780 ( 3.015 2.043 2.029) 4.169 1.951 ( -0.340 -0.149 0.313) 0.486 2.425 ( -1.371 -1.515 -0.786) 2.190 2.853 ( 18.593 -0.055 0.216) 18.594 4.118 ( -2.836 0.075 -0.719) 2.927 5.558 ( 11.212 0.062 -0.424) 11.220 5.673 ( -1.647 0.751 0.772) 1.968 5.995 ( -3.731 0.531 0.340) 3.784 6.166 ( 2.835 -1.090 -1.226) 3.276 6.369 ( -0.393 0.652 0.827) 1.124 7.663 ( -7.038 0.443 -0.380) 7.063======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 5.380 -1.836 -0.798) 5.740 1.829 ( 0.533 0.234 2.168) 2.245 1.947 ( -0.082 -0.120 0.135) 0.198 2.388 ( -1.376 -0.006 -1.943) 2.381 3.171 ( 19.833 -5.060 0.057) 20.469 4.030 ( -5.941 -1.336 -0.396) 6.103 5.635 ( -0.532 -1.362 -0.633) 1.593 5.718 ( 5.457 -0.977 -0.092) 5.544 5.942 ( -3.710 2.237 2.582) 5.043 6.250 ( 7.519 -0.192 -1.233) 7.622 6.369 ( -1.148 0.913 0.533) 1.560 7.547 ( -6.958 1.429 0.354) 7.112======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 1.585 -5.151 -0.825) 5.453 1.845 ( 1.498 0.581 1.671) 2.318 1.946 ( 0.343 -0.117 -0.122) 0.383 2.365 ( -1.666 1.417 -2.085) 3.022 3.344 ( 9.468 -15.451 -0.365) 18.125 3.942 ( -2.957 3.206 0.189) 4.365 5.616 ( 0.630 -1.299 -0.711) 1.609 5.737 ( 0.096 -3.726 -0.568) 3.770 5.956 ( 0.064 4.588 3.800) 5.958 6.315 ( -1.991 -2.715 -0.002) 3.366 6.375 ( 3.149 0.708 -1.302) 3.480 7.485 ( -2.580 3.448 0.893) 4.398======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -1.440 -5.385 -0.276) 5.581 1.904 ( 3.644 0.514 1.835) 4.112 1.959 ( 0.848 0.649 -0.149) 1.078 2.340 ( -2.332 1.497 -1.929) 3.376 3.186 ( -5.087 -19.164 -0.090) 19.828 3.994 ( 2.862 3.376 0.009) 4.426 5.635 ( 2.545 -0.943 -0.866) 2.849 5.672 ( -2.486 -3.892 0.680) 4.668 6.025 ( 2.337 1.921 2.694) 4.051 6.198 ( -6.935 -2.843 -1.566) 7.657 6.407 ( 0.825 -0.461 -0.036) 0.946 7.530 ( 1.931 5.130 0.526) 5.506======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( -2.026 -3.508 -0.000) 4.051 1.966 ( 0.809 1.402 -0.000) 1.618 1.989 ( 1.248 2.161 -0.000) 2.496 2.314 ( -0.203 -0.352 -0.000) 0.406 2.875 ( -9.336 -16.171 -0.000) 18.673 4.054 ( 0.799 1.385 -0.000) 1.599 5.542 ( -4.342 -7.521 -0.000) 8.684 5.705 ( 2.023 3.504 -0.000) 4.046 6.049 ( -2.719 -4.709 0.000) 5.437 6.079 ( 0.049 0.086 -0.000) 0.099 6.417 ( 0.564 0.977 -0.000) 1.128 7.625 ( 2.716 4.705 -0.000) 5.433======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 0.000 0.565 0.468) 0.734 1.704 ( 0.000 3.530 3.215) 4.774 1.959 ( 0.000 -0.277 0.430) 0.512 2.450 ( -0.000 -2.102 -0.713) 2.219 2.495 ( -0.000 -0.119 -0.060) 0.133 4.150 ( -0.000 0.112 -0.932) 0.938 5.295 ( 0.000 0.275 0.480) 0.553 5.717 ( 0.000 1.135 1.119) 1.593 6.055 ( -0.000 -0.226 -0.534) 0.580 6.145 ( -0.000 -1.419 -2.612) 2.972 6.383 ( 0.000 1.229 1.535) 1.966 7.798 ( -0.000 0.357 -0.683) 0.771======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 3.777 -0.053 0.490) 3.809 1.777 ( 1.628 3.570 6.332) 7.449 1.954 ( -0.236 -0.395 0.289) 0.543 2.423 ( -0.625 -1.034 -2.831) 3.078 2.578 ( 11.203 -2.828 0.000) 11.555 4.123 ( -0.591 -4.059 -1.063) 4.237 5.377 ( 8.477 -0.105 0.537) 8.495 5.715 ( -1.815 0.517 1.955) 2.717 6.033 ( -1.034 -1.595 -0.160) 1.908 6.130 ( 0.387 0.292 -3.301) 3.337 6.404 ( -0.819 3.043 2.101) 3.787 7.768 ( -4.161 1.336 -0.446) 4.393======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( 4.718 -1.752 -0.373) 5.047 1.832 ( 0.282 0.072 5.142) 5.150 1.946 ( -0.261 -0.577 0.094) 0.640 2.400 ( -0.548 0.706 -3.387) 3.502 2.793 ( 17.429 -5.776 0.331) 18.365 4.047 ( -1.337 -6.922 -0.917) 7.109 5.536 ( 9.460 -2.138 -0.495) 9.711 5.681 ( -2.124 -0.660 1.178) 2.516 6.000 ( -1.046 -1.371 2.014) 2.651 6.162 ( 3.024 2.598 -1.794) 4.372 6.423 ( -1.858 4.242 1.223) 4.790 7.687 ( -6.900 2.118 0.163) 7.220======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 3.418 -4.739 -1.340) 5.995 1.832 ( 0.121 -2.050 3.780) 4.302 1.935 ( 0.237 -0.960 -0.663) 1.190 2.398 ( -0.632 2.444 -2.926) 3.865 2.995 ( 14.322 -11.807 0.079) 18.562 3.959 ( -0.195 -6.157 -0.301) 6.167 5.593 ( 0.988 -2.797 -0.888) 3.096 5.667 ( 2.118 -3.398 -0.267) 4.013 5.995 ( 0.400 -0.479 3.966) 4.014 6.263 ( 4.674 3.061 0.299) 5.595 6.422 ( -3.805 4.618 -0.837) 6.042 7.598 ( -6.025 3.384 1.118) 7.000======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 1.476 -6.291 -0.875) 6.520 1.838 ( 2.649 -3.346 3.743) 5.676 1.943 ( 1.384 0.188 -0.809) 1.614 2.398 ( -1.847 3.126 -3.005) 4.712 3.006 ( 3.788 -17.426 -0.165) 17.833 3.943 ( 3.954 -3.521 0.068) 5.295 5.578 ( 1.293 -3.515 -0.575) 3.789 5.648 ( 0.486 -3.857 0.377) 3.906 6.009 ( 0.968 -2.210 3.201) 4.009 6.331 ( -4.936 5.427 0.531) 7.355 6.388 ( -0.534 1.529 -1.610) 2.284 7.579 ( -1.490 5.080 1.600) 5.530======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.000 0.219 1.409) 1.426 1.825 ( 0.000 2.646 8.830) 9.218 1.954 ( 0.000 -0.189 0.593) 0.623 2.420 ( -0.000 1.435 -4.224) 4.461 2.430 ( 0.000 -6.268 -0.243) 6.272 4.059 ( 0.000 -8.986 -1.375) 9.091 5.303 ( 0.000 -0.212 1.033) 1.055 5.743 ( 0.000 -0.036 2.368) 2.368 6.009 ( -0.000 -3.634 -1.047) 3.782 6.132 ( -0.000 2.563 -2.699) 3.722 6.460 ( 0.000 5.170 2.374) 5.689 7.822 ( -0.000 2.463 -0.543) 2.522======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 2.118 -0.900 0.715) 2.409 1.846 ( -0.525 -2.134 5.921) 6.316 1.948 ( -0.807 -0.824 0.594) 1.298 2.388 ( 1.713 -3.310 -2.489) 4.482 2.506 ( 9.246 -0.728 -0.153) 9.276 3.946 ( 0.598 -13.292 -1.484) 13.388 5.364 ( 7.009 -1.873 0.487) 7.271 5.722 ( -2.395 -0.637 1.060) 2.696 5.972 ( 0.553 -3.965 -0.369) 4.021 6.171 ( 0.895 4.912 0.237) 4.998 6.514 ( -1.480 7.078 1.440) 7.373 7.812 ( -4.286 3.298 -0.276) 5.415======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 1.974 -3.991 -1.167) 4.603 1.816 ( -0.317 -4.893 4.283) 6.510 1.917 ( -0.291 -2.120 -1.181) 2.444 2.394 ( 2.571 -2.146 -2.216) 4.016 2.676 ( 11.295 -3.815 1.275) 11.990 3.827 ( 2.867 -14.855 -1.088) 15.169 5.458 ( 7.073 -5.567 -0.968) 9.053 5.672 ( -2.781 -0.190 0.400) 2.816 5.957 ( 1.801 -3.118 1.057) 3.753 6.260 ( 2.292 6.079 2.952) 7.136 6.551 ( -3.593 8.349 -0.473) 9.102 7.750 ( -6.688 4.047 0.680) 7.847======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 2.147 -6.920 -1.740) 7.452 1.775 ( 0.863 -6.401 4.448) 7.843 1.910 ( 1.708 -0.816 -1.296) 2.294 2.408 ( 2.179 -2.419 -2.171) 3.913 2.775 ( 5.887 -7.893 0.642) 9.868 3.769 ( 7.083 -12.921 -0.617) 14.748 5.477 ( 3.830 -8.000 -1.239) 8.956 5.637 ( -1.532 0.381 0.941) 1.838 5.964 ( 1.598 -3.188 1.733) 3.965 6.370 ( 2.347 5.205 3.125) 6.509 6.542 ( -7.011 8.674 -2.396) 11.407 7.693 ( -5.135 5.149 2.087) 7.565======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 0.000 -0.917 0.655) 1.127 1.823 ( 0.000 -6.076 2.812) 6.695 1.949 ( 0.000 -2.312 0.102) 2.314 2.254 ( 0.000 -11.138 0.061) 11.139 2.504 ( -0.000 8.207 0.891) 8.255 3.772 ( 0.000 -19.106 -1.903) 19.200 5.284 ( 0.000 -2.639 0.610) 2.709 5.741 ( 0.000 -0.418 -0.035) 0.419 5.925 ( 0.000 -3.455 -0.636) 3.513 6.220 ( 0.000 5.855 2.657) 6.430 6.613 ( -0.000 9.266 0.886) 9.309 7.886 ( -0.000 4.276 -0.537) 4.310======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -0.305 -3.551 -1.438) 3.843 1.756 ( 0.609 -8.650 0.908) 8.719 1.896 ( -1.182 -4.130 -1.169) 4.452 2.209 ( 7.082 -11.741 -0.282) 13.715 2.615 ( 2.014 7.780 3.608) 8.809 3.581 ( 3.132 -22.470 -1.855) 22.763 5.294 ( 4.754 -5.498 -0.335) 7.276 5.721 ( -2.077 0.915 -0.419) 2.308 5.907 ( 1.016 -1.795 -0.019) 2.063 6.302 ( 1.250 5.980 4.850) 7.800 6.695 ( -2.208 10.775 -0.455) 11.009 7.893 ( -4.243 4.848 -0.071) 6.443======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( -0.082 -8.309 -3.488) 9.012 1.691 ( 1.555 -9.381 2.501) 9.832 1.858 ( 1.739 -3.086 -1.102) 3.709 2.227 ( 8.024 -11.717 -0.857) 14.227 2.717 ( 1.073 4.566 3.131) 5.639 3.453 ( 8.779 -21.920 -1.650) 23.670 5.309 ( 5.085 -8.397 -1.140) 9.883 5.695 ( -2.814 2.415 0.532) 3.746 5.919 ( 1.374 -0.954 0.561) 1.764 6.400 ( 1.703 5.105 4.635) 7.102 6.739 ( -5.167 11.265 -2.080) 12.566 7.852 ( -6.096 5.402 1.543) 8.290======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( -0.000 -4.666 -2.956) 5.524 1.636 ( -0.000 -12.505 -3.533) 12.995 1.856 ( 0.000 -6.123 -1.597) 6.328 2.018 ( 0.000 -12.272 1.836) 12.409 2.699 ( 0.000 8.009 5.837) 9.911 3.295 ( 0.000 -27.347 -2.332) 27.447 5.195 ( 0.000 -6.314 -0.293) 6.321 5.752 ( -0.000 2.413 -1.143) 2.670 5.892 ( 0.000 0.429 0.286) 0.516 6.363 ( 0.000 5.139 6.348) 8.168 6.828 ( -0.000 12.327 -0.928) 12.362 7.979 ( -0.000 5.163 -0.485) 5.186======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -3.325 -10.980 -6.487) 13.179 1.537 ( 4.199 -12.547 -2.407) 13.448 1.784 ( 0.910 -6.816 -0.255) 6.881 1.979 ( 6.638 -10.732 1.252) 12.681 2.782 ( -0.309 4.886 6.310) 7.987 3.061 ( 6.314 -27.457 -3.157) 28.350 5.154 ( 3.060 -7.729 -0.714) 8.343 5.768 ( -1.627 4.146 -0.401) 4.472 5.909 ( 0.314 1.726 0.431) 1.806 6.437 ( 1.016 3.813 6.282) 7.418 6.924 ( -3.076 12.836 -1.830) 13.325 7.995 ( -3.713 5.190 0.333) 6.391======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -0.000 -13.001 -8.008) 15.269 1.302 ( -0.000 -17.218 -8.577) 19.236 1.687 ( 0.000 -11.335 0.702) 11.356 1.838 ( 0.000 -7.286 4.120) 8.370 2.681 ( 0.000 -30.404 1.931) 30.466 2.875 ( -0.000 4.323 1.105) 4.462 5.053 ( 0.000 -7.262 -0.470) 7.277 5.828 ( -0.000 5.608 -0.545) 5.635 5.937 ( -0.000 3.418 0.568) 3.465 6.478 ( 0.000 2.057 7.214) 7.501 7.078 ( -0.000 13.530 -1.753) 13.643 8.074 ( -0.000 4.501 -0.384) 4.517======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.407 ( 0.000 -0.000 22.016) 22.016 0.407 ( 0.000 -0.000 22.016) 22.016 0.731 ( 0.000 -0.000 40.245) 40.245 1.678 ( -0.000 0.000 -4.259) 4.259 1.678 ( -0.000 0.000 -4.259) 4.259 3.432 ( -0.000 0.000 -10.914) 10.914 4.821 ( 0.000 -0.000 0.908) 0.908 4.821 ( 0.000 -0.000 0.908) 0.908 6.103 ( -0.000 0.000 -0.571) 0.571 6.103 ( -0.000 0.000 -0.571) 0.571 7.657 ( 0.000 -0.000 1.709) 1.709 8.126 ( -0.000 0.000 -0.521) 0.521======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.493 ( 8.136 4.697 14.238) 17.058 0.620 ( 6.225 3.594 21.565) 22.732 1.189 ( 23.726 13.698 25.484) 37.417 1.704 ( 2.389 1.379 -3.514) 4.467 1.726 ( 6.910 3.989 -6.283) 10.156 3.027 ( -9.436 -5.448 -0.981) 10.940 4.853 ( 2.400 1.385 0.997) 2.945 5.862 ( 36.803 21.248 -35.149) 55.149 6.058 ( -3.282 -1.895 -1.207) 3.977 6.077 ( -2.072 -1.196 -0.576) 2.460 7.622 ( -5.085 -2.936 3.960) 7.083 8.066 ( -3.072 -1.773 -3.823) 5.215======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( 12.522 7.230 5.953) 15.637 0.841 ( 8.450 4.879 11.733) 15.260 1.655 ( 9.871 5.699 8.778) 14.386 1.770 ( 4.295 2.480 -2.494) 5.552 2.063 ( 24.472 14.129 -0.134) 28.258 2.912 ( -1.314 -0.759 -4.847) 5.079 4.934 ( 4.430 2.558 0.841) 5.184 5.930 ( -6.221 -3.592 -1.376) 7.314 6.013 ( -3.164 -1.827 -0.515) 3.690 6.312 ( 13.327 7.694 -16.104) 22.274 7.451 ( -10.761 -6.213 7.403) 14.463 7.975 ( -3.540 -2.044 -8.584) 9.508======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 10.877 6.280 1.531) 12.653 1.065 ( 9.365 5.407 2.214) 11.038 1.823 ( 5.158 2.978 1.847) 6.235 1.892 ( 7.050 4.070 -1.194) 8.227 2.601 ( 16.976 9.801 -2.883) 19.813 2.964 ( 9.615 5.551 1.245) 11.173 5.053 ( 5.615 3.242 0.461) 6.499 5.777 ( -6.341 -3.661 -1.675) 7.511 5.943 ( -2.543 -1.468 -0.314) 2.953 6.473 ( 4.524 2.612 -7.070) 8.790 7.192 ( -13.742 -7.934 6.720) 17.232 7.860 ( -3.874 -2.237 -8.344) 9.467======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 7.067 4.080 -0.824) 8.202 1.285 ( 10.171 5.872 -3.537) 12.266 1.920 ( 3.189 1.841 0.547) 3.722 2.079 ( 9.160 5.288 -0.137) 10.578 2.738 ( 0.402 0.232 -2.922) 2.959 3.368 ( 19.637 11.338 3.297) 22.914 5.178 ( 5.017 2.896 -0.123) 5.794 5.653 ( -3.599 -2.078 -1.757) 4.512 5.909 ( -0.205 -0.119 0.131) 0.271 6.498 ( -0.360 -0.208 -3.668) 3.691 6.868 ( -15.725 -9.079 2.793) 18.371 7.771 ( -2.022 -1.168 -4.340) 4.928======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 4.088 2.360 -1.580) 4.977 1.510 ( 10.911 6.300 -6.127) 14.010 1.977 ( 1.752 1.012 -0.066) 2.024 2.284 ( 8.292 4.788 0.238) 9.578 2.681 ( -4.905 -2.832 0.731) 5.711 3.763 ( 13.754 7.941 1.710) 15.973 5.269 ( 2.971 1.715 -0.756) 3.513 5.618 ( 1.091 0.630 -1.516) 1.971 5.936 ( 2.172 1.254 0.724) 2.610 6.453 ( -4.600 -2.656 1.299) 5.468 6.522 ( -12.198 -7.043 -3.551) 14.526 7.738 ( -0.459 -0.265 -0.728) 0.901======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 2.249 1.298 -1.438) 2.969 1.743 ( 11.171 6.449 -7.528) 14.935 2.001 ( 0.543 0.314 -0.771) 0.994 2.437 ( 4.718 2.724 0.248) 5.453 2.531 ( -8.256 -4.767 3.045) 10.008 4.000 ( 6.745 3.894 1.421) 7.916 5.313 ( 1.359 0.785 -1.059) 1.893 5.689 ( 5.195 2.999 -1.480) 6.179 5.992 ( 2.023 1.168 1.076) 2.572 6.187 ( -12.028 -6.944 1.592) 13.980 6.445 ( -0.233 -0.135 -2.559) 2.573 7.735 ( 0.049 0.028 0.871) 0.873======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 0.889 0.513 -0.883) 1.354 1.956 ( 8.234 4.754 -6.856) 11.722 1.997 ( -0.295 -0.170 -2.295) 2.320 2.360 ( -6.332 -3.656 4.184) 8.424 2.490 ( -0.202 -0.117 0.138) 0.271 4.083 ( 0.110 0.064 1.804) 1.809 5.331 ( 0.465 0.268 -0.939) 1.082 5.804 ( 2.884 1.665 -2.505) 4.167 6.002 ( -2.569 -1.483 3.210) 4.371 6.016 ( -0.389 -0.225 1.042) 1.135 6.450 ( 1.216 0.702 -1.212) 1.855 7.744 ( 0.537 0.310 1.537) 1.657======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( -0.450 -0.260 -0.020) 0.520 1.946 ( -4.007 -2.313 0.383) 4.642 2.014 ( -2.362 -1.364 -0.900) 2.872 2.370 ( 7.083 4.090 -2.521) 8.559 2.428 ( -5.209 -3.007 -0.104) 6.016 4.008 ( -7.459 -4.307 1.797) 8.799 5.328 ( -0.632 -0.365 -0.515) 0.893 5.760 ( -3.462 -1.999 1.420) 4.242 5.981 ( -2.673 -1.543 0.669) 3.158 6.114 ( 8.498 4.906 -1.524) 9.930 6.498 ( 3.468 2.002 -0.216) 4.010 7.776 ( 1.854 1.071 2.431) 3.240======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -2.262 -1.306 1.388) 2.958 1.800 ( -8.980 -5.185 5.619) 11.794 1.948 ( -3.034 -1.752 -0.615) 3.557 2.261 ( -8.991 -5.191 -0.680) 10.405 2.563 ( 9.480 5.474 -4.782) 11.946 3.743 ( -16.261 -9.388 1.060) 18.807 5.290 ( -2.886 -1.666 0.058) 3.333 5.713 ( -0.925 -0.534 2.650) 2.857 5.919 ( -2.351 -1.357 0.061) 2.715 6.296 ( 7.690 4.440 -5.174) 10.278 6.619 ( 7.181 4.146 0.416) 8.302 7.849 ( 3.815 2.203 3.431) 5.584======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -5.634 -3.253 4.006) 7.640 1.583 ( -11.927 -6.886 7.995) 15.924 1.855 ( -5.211 -3.009 -1.186) 6.133 2.036 ( -9.747 -5.627 -2.065) 11.443 2.745 ( 7.368 4.254 -4.155) 9.469 3.281 ( -24.011 -13.863 0.577) 27.732 5.192 ( -5.612 -3.240 0.433) 6.495 5.738 ( 2.439 1.408 1.971) 3.438 5.895 ( 0.554 0.320 -0.429) 0.770 6.421 ( 4.850 2.800 -6.409) 8.511 6.822 ( 10.255 5.921 0.492) 11.852 7.962 ( 4.990 2.881 3.053) 6.520======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 0.000 16.759 12.113) 20.678 0.775 ( 0.000 14.992 17.472) 23.023 1.172 ( 0.000 16.869 30.507) 34.860 1.631 ( -0.000 -0.086 -6.850) 6.850 1.768 ( -0.000 10.806 -4.235) 11.606 3.023 ( 0.000 -11.714 -2.919) 12.072 4.852 ( 0.000 2.700 0.991) 2.876 5.740 ( -0.000 40.426 -29.987) 50.333 6.070 ( -0.000 -1.492 -2.081) 2.560 6.072 ( -0.000 -2.594 -0.705) 2.688 7.628 ( 0.000 -6.054 3.769) 7.131 8.069 ( -0.000 -2.452 -3.711) 4.448======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( 0.575 19.585 6.045) 20.505 0.916 ( -2.357 12.282 18.302) 22.167 1.569 ( 11.384 8.889 14.447) 20.428 1.676 ( 7.358 2.166 -4.745) 9.019 1.951 ( 8.406 20.114 -1.977) 21.889 2.904 ( -1.685 -3.526 -6.073) 7.222 4.911 ( 2.476 4.095 1.027) 4.894 5.958 ( -1.231 -3.823 -2.643) 4.808 6.021 ( -1.144 -2.626 -1.195) 3.103 6.151 ( 9.561 15.300 -17.659) 25.246 7.519 ( -4.721 -10.649 6.408) 13.295 8.004 ( -3.537 -0.703 -7.373) 8.208======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 0.377 11.687 11.785) 16.602 1.087 ( 3.449 15.066 1.211) 15.503 1.747 ( 6.811 2.663 -0.347) 7.321 1.847 ( 5.392 6.490 0.379) 8.446 2.421 ( 17.524 18.427 -0.404) 25.433 2.892 ( 4.155 2.780 -2.814) 5.737 5.019 ( 3.990 5.660 0.956) 6.990 5.834 ( -5.468 -4.926 -1.516) 7.514 5.962 ( -1.915 -2.632 -0.536) 3.299 6.368 ( 7.807 4.647 -9.804) 13.367 7.310 ( -8.740 -12.246 7.173) 16.667 7.894 ( -5.140 -0.961 -8.598) 10.063======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 3.494 7.843 5.205) 10.040 1.285 ( 3.387 12.688 -2.546) 13.377 1.874 ( 4.621 2.025 0.446) 5.065 2.022 ( 6.609 9.573 -0.560) 11.646 2.695 ( 4.432 2.486 -4.850) 7.025 3.186 ( 17.233 14.384 3.419) 22.706 5.155 ( 3.930 6.889 0.684) 7.961 5.694 ( -4.800 -3.503 -1.542) 6.139 5.915 ( -0.962 -1.030 -0.414) 1.469 6.454 ( 3.140 -0.811 -5.615) 6.484 7.026 ( -12.603 -11.833 4.654) 17.903 7.781 ( -3.333 -1.797 -5.681) 6.827======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 3.885 5.607 1.519) 6.988 1.448 ( 4.537 10.377 -4.454) 12.170 1.948 ( 2.591 0.804 0.049) 2.713 2.242 ( 6.400 11.063 0.201) 12.782 2.711 ( -1.089 -1.335 -1.457) 2.256 3.615 ( 15.049 11.579 2.009) 19.094 5.277 ( 1.713 7.234 0.116) 7.435 5.612 ( -1.228 -1.178 -1.241) 2.106 5.916 ( 1.372 0.651 0.021) 1.519 6.449 ( 0.525 -2.352 -4.024) 4.691 6.685 ( -15.061 -9.934 1.402) 18.097 7.721 ( -0.105 -2.564 -1.602) 3.025======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 1.527 4.246 -0.298) 4.522 1.633 ( 7.572 8.669 -5.414) 12.720 1.984 ( 1.374 -0.054 -0.514) 1.468 2.428 ( 3.075 7.805 0.896) 8.436 2.636 ( -5.760 -0.271 0.538) 5.791 3.916 ( 9.206 6.351 1.451) 11.278 5.352 ( -1.022 7.076 -0.495) 7.166 5.628 ( 3.451 0.915 -0.945) 3.693 5.964 ( 2.589 0.954 0.611) 2.826 6.351 ( -13.677 -6.791 -0.120) 15.271 6.424 ( 0.295 -1.611 -2.259) 2.790 7.707 ( 1.583 -2.979 0.587) 3.424======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 0.056 3.250 -0.661) 3.317 1.831 ( 8.622 6.253 -6.839) 12.658 1.991 ( 0.181 -0.716 -1.081) 1.309 2.431 ( -4.801 -4.416 3.224) 7.276 2.595 ( -4.950 10.532 -0.159) 11.638 4.067 ( 3.349 1.782 1.760) 4.182 5.386 ( -2.670 6.853 -0.715) 7.390 5.721 ( 5.745 0.705 -1.532) 5.987 6.004 ( 1.054 -0.202 1.174) 1.590 6.112 ( -8.623 -1.753 1.475) 8.923 6.421 ( 1.399 -0.761 -1.650) 2.293 7.713 ( 2.120 -2.890 1.294) 3.811======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -1.062 2.059 -0.366) 2.346 1.968 ( -0.157 -1.080 -3.312) 3.487 1.975 ( 3.418 0.328 -3.508) 4.909 2.335 ( -1.476 -0.921 2.824) 3.317 2.583 ( -8.288 9.090 -0.389) 12.307 4.075 ( -3.205 -2.071 1.965) 4.292 5.394 ( -3.732 6.096 -0.521) 7.167 5.761 ( 0.374 -3.586 -0.707) 3.674 6.024 ( -3.309 -0.072 1.915) 3.824 6.054 ( 4.213 4.448 -0.152) 6.129 6.449 ( 2.995 -0.121 -0.871) 3.121 7.734 ( 2.992 -2.336 1.772) 4.190======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( -2.194 0.169 0.479) 2.252 1.896 ( -5.278 -2.880 0.940) 6.086 1.961 ( -1.352 -2.964 -0.796) 3.354 2.364 ( -1.313 -0.173 -0.231) 1.344 2.528 ( -3.750 9.060 -2.359) 10.085 3.917 ( -11.775 -5.658 1.553) 13.156 5.369 ( -5.131 4.073 -0.059) 6.551 5.718 ( -0.547 -2.857 1.461) 3.255 5.961 ( -3.710 -0.747 0.697) 3.848 6.209 ( 6.821 5.758 -3.574) 9.615 6.528 ( 6.285 1.122 0.031) 6.385 7.787 ( 4.810 -1.392 2.356) 5.534======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( -3.962 -3.157 2.500) 5.649 1.745 ( -9.335 -3.174 3.501) 10.463 1.894 ( -3.144 -2.938 -0.651) 4.352 2.209 ( -12.999 -0.107 -0.264) 13.002 2.650 ( 6.781 5.496 -3.987) 9.597 3.568 ( -21.219 -8.427 1.128) 22.859 5.290 ( -7.190 0.922 0.471) 7.264 5.712 ( 1.709 -0.846 1.505) 2.429 5.907 ( -1.852 0.218 -0.060) 1.866 6.350 ( 5.291 4.284 -5.690) 8.872 6.691 ( 10.130 2.851 0.643) 10.544 7.883 ( 6.507 -0.525 2.010) 6.831======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 0.000 17.907 5.429) 18.712 1.160 ( 0.000 13.716 12.952) 18.865 1.605 ( -0.000 2.939 -8.574) 9.063 1.611 ( 0.000 11.238 16.401) 19.882 2.097 ( -0.000 24.226 -1.416) 24.267 2.862 ( -0.000 -2.839 -6.672) 7.251 4.939 ( -0.000 5.419 0.906) 5.494 5.921 ( -0.000 -3.648 -1.781) 4.060 6.000 ( 0.000 -3.966 -0.672) 4.023 6.172 ( -0.000 13.081 -14.454) 19.495 7.454 ( 0.000 -14.024 6.251) 15.353 8.012 ( -0.000 -0.091 -7.854) 7.855======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -0.895 14.245 3.028) 14.591 1.266 ( -3.834 12.559 9.001) 15.920 1.672 ( 4.991 5.994 -3.415) 8.515 1.815 ( 6.377 7.019 4.927) 10.687 2.405 ( 7.559 21.936 -2.448) 23.331 2.857 ( 2.538 4.121 -2.714) 5.548 5.026 ( 2.801 6.722 0.964) 7.346 5.849 ( -2.803 -5.342 -1.198) 6.150 5.952 ( -0.701 -3.345 -0.521) 3.457 6.280 ( 4.624 5.786 -9.252) 11.851 7.294 ( -3.515 -15.466 6.172) 17.019 7.949 ( -4.180 -0.337 -8.143) 9.160======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -1.739 8.316 5.552) 10.149 1.384 ( -0.115 13.211 -1.271) 13.273 1.821 ( 4.739 4.613 1.168) 6.715 2.009 ( 7.018 10.321 -0.290) 12.484 2.631 ( 4.622 4.394 -5.926) 8.705 3.102 ( 11.892 18.065 3.277) 21.875 5.167 ( 4.288 8.362 1.212) 9.475 5.732 ( -4.374 -4.192 -1.484) 6.238 5.913 ( -0.561 -1.756 -0.768) 1.997 6.361 ( 4.175 -0.551 -5.506) 6.932 7.073 ( -6.662 -14.855 4.970) 17.023 7.827 ( -5.821 -1.417 -6.612) 8.922======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 0.860 7.434 4.316) 8.639 1.498 ( 0.934 10.544 -4.007) 11.318 1.912 ( 2.586 1.407 0.749) 3.038 2.258 ( 6.986 13.588 0.453) 15.285 2.689 ( 2.142 0.401 -2.747) 3.507 3.508 ( 13.072 15.490 1.902) 20.358 5.327 ( 3.151 9.585 1.271) 10.170 5.629 ( -2.999 -2.050 -1.203) 3.827 5.901 ( 0.621 0.095 -1.108) 1.273 6.381 ( 2.316 -3.216 -4.227) 5.795 6.806 ( -10.193 -12.125 2.715) 16.071 7.708 ( -3.259 -3.050 -3.357) 5.585======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 0.504 6.443 2.606) 6.968 1.617 ( 3.454 9.012 -4.019) 10.454 1.955 ( 1.663 0.030 -0.038) 1.663 2.461 ( 2.602 6.632 1.528) 7.286 2.723 ( -0.404 6.942 -1.022) 7.028 3.829 ( 9.672 8.636 1.043) 13.009 5.454 ( -0.071 9.654 0.887) 9.695 5.595 ( 0.499 0.187 -0.663) 0.851 5.930 ( 2.292 0.824 -0.962) 2.618 6.364 ( 0.862 -3.493 -4.099) 5.454 6.522 ( -11.476 -7.027 1.723) 13.566 7.643 ( 0.672 -4.545 -0.577) 4.630======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( -0.983 5.498 0.884) 5.655 1.762 ( 5.271 6.834 -4.007) 9.515 1.972 ( 0.818 -0.710 -0.583) 1.230 2.464 ( -2.808 -3.622 2.268) 5.113 2.815 ( -3.986 16.703 -0.648) 17.184 4.015 ( 5.589 2.364 1.290) 6.204 5.523 ( -2.917 9.362 0.400) 9.814 5.639 ( 3.855 0.589 -0.510) 3.933 5.975 ( 2.457 0.043 -0.610) 2.532 6.243 ( -8.528 -3.405 -0.527) 9.198 6.395 ( -0.250 -0.483 -0.696) 0.883 7.629 ( 2.959 -5.107 0.618) 5.935======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -2.234 4.352 0.400) 4.908 1.887 ( 4.642 2.579 -4.948) 7.258 1.967 ( -0.092 -0.927 -0.745) 1.192 2.373 ( -3.373 -2.978 2.900) 5.353 2.865 ( -9.462 16.062 -0.581) 18.651 4.080 ( 1.204 -1.759 1.659) 2.701 5.545 ( -4.610 8.123 0.301) 9.345 5.699 ( 2.725 -1.663 -0.649) 3.258 6.020 ( 3.393 0.991 -1.411) 3.806 6.112 ( -5.545 1.454 2.039) 6.084 6.402 ( 1.453 -0.358 -1.099) 1.857 7.642 ( 3.939 -4.821 0.987) 6.303======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -3.552 2.248 0.516) 4.235 1.918 ( 0.163 -1.625 -3.965) 4.288 1.947 ( -1.050 -1.650 0.279) 1.976 2.348 ( 1.214 0.607 1.891) 2.328 2.803 ( -13.401 12.153 -0.711) 18.105 4.025 ( -5.351 -3.906 1.411) 6.773 5.526 ( -6.074 5.878 0.595) 8.474 5.690 ( 0.013 -2.943 0.185) 2.948 6.029 ( -3.471 0.271 -0.455) 3.511 6.152 ( 4.993 5.821 -1.235) 7.768 6.438 ( 4.125 -0.707 -0.268) 4.194 7.678 ( 5.198 -3.980 1.118) 6.641======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -4.888 -0.948 1.480) 5.194 1.845 ( -5.152 -2.415 -1.742) 5.950 1.908 ( -1.543 -1.709 0.540) 2.365 2.378 ( -2.679 1.086 1.072) 3.083 2.689 ( -8.015 7.612 -1.598) 11.169 3.818 ( -14.487 -4.647 0.984) 15.246 5.450 ( -8.299 2.877 0.926) 8.832 5.672 ( 1.197 -2.229 0.378) 2.558 5.963 ( -4.060 0.684 -0.372) 4.134 6.293 ( 5.181 5.280 -4.265) 8.539 6.544 ( 8.753 0.171 1.022) 8.814 7.751 ( 6.988 -2.960 0.544) 7.608======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 13.817 0.145) 13.818 1.391 ( 0.000 3.606 2.783) 4.555 1.718 ( -0.000 13.104 -2.628) 13.365 1.834 ( 0.000 5.477 6.298) 8.346 2.519 ( -0.000 12.950 -6.527) 14.502 2.914 ( -0.000 15.159 2.306) 15.334 5.068 ( -0.000 6.893 0.475) 6.910 5.820 ( 0.000 -4.831 -1.132) 4.962 5.923 ( 0.000 -3.113 -0.328) 3.130 6.266 ( -0.000 3.288 -6.169) 6.991 7.178 ( 0.000 -16.821 4.941) 17.532 7.960 ( -0.000 -0.571 -7.517) 7.539======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -1.170 3.529 -0.197) 3.723 1.501 ( -0.102 10.318 -2.570) 10.634 1.843 ( 0.402 7.851 2.758) 8.331 1.978 ( 7.660 9.788 -0.094) 12.429 2.592 ( 2.170 2.630 -4.953) 6.013 3.171 ( 5.126 23.191 3.667) 24.032 5.173 ( 4.032 7.251 0.472) 8.310 5.748 ( -2.635 -3.820 -1.783) 4.971 5.898 ( -0.021 -1.420 -0.333) 1.459 6.288 ( 2.053 -0.477 -3.166) 3.804 7.004 ( -2.352 -16.475 3.619) 17.031 7.890 ( -4.542 -1.249 -6.339) 7.898======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 1.416 4.572 1.009) 4.892 1.578 ( -0.117 8.378 -4.325) 9.429 1.905 ( 0.809 2.382 1.625) 2.995 2.253 ( 9.358 13.224 0.465) 16.207 2.637 ( 3.253 0.322 -1.669) 3.670 3.509 ( 7.436 19.450 1.852) 20.905 5.343 ( 6.086 8.123 0.915) 10.191 5.660 ( -3.211 -1.963 -1.708) 4.133 5.892 ( 0.102 0.433 -1.142) 1.226 6.299 ( 2.095 -2.878 -1.850) 4.012 6.802 ( -4.258 -14.374 2.250) 15.159 7.758 ( -6.416 -2.152 -4.414) 8.079======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 2.250 5.341 2.554) 6.333 1.649 ( 1.273 7.336 -4.114) 8.507 1.936 ( 0.858 0.650 0.618) 1.242 2.470 ( 2.869 4.002 1.736) 5.221 2.754 ( 6.996 9.674 -0.641) 11.956 3.788 ( 6.330 11.564 0.558) 13.195 5.517 ( 3.600 7.665 1.232) 8.557 5.608 ( -1.079 0.957 -0.829) 1.664 5.903 ( 0.868 0.957 -2.125) 2.487 6.298 ( 1.870 -2.712 -1.726) 3.719 6.596 ( -6.038 -10.085 1.314) 11.828 7.625 ( -4.216 -3.408 -2.161) 5.836======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 0.076 5.503 1.642) 5.743 1.746 ( 3.224 5.806 -2.372) 7.052 1.952 ( 0.656 -0.226 0.008) 0.694 2.471 ( -1.598 -3.312 1.696) 4.050 3.005 ( 3.666 18.228 -0.216) 18.594 3.949 ( 4.318 2.737 0.409) 5.129 5.594 ( 1.628 2.158 0.450) 2.740 5.651 ( -0.674 6.593 0.650) 6.659 5.923 ( 2.064 -0.826 -2.412) 3.280 6.295 ( -0.653 -0.730 -1.317) 1.641 6.431 ( -4.585 -3.295 0.837) 5.708 7.545 ( 0.047 -4.760 -0.512) 4.788======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( -1.999 5.346 1.054) 5.804 1.837 ( 3.018 2.408 -2.374) 4.533 1.955 ( 0.277 -0.530 -0.338) 0.687 2.400 ( -2.676 -3.438 1.748) 4.695 3.182 ( -5.692 19.494 -0.358) 20.311 4.009 ( 3.813 -3.936 0.913) 5.556 5.641 ( 1.091 -0.142 -0.094) 1.105 5.687 ( -1.639 6.161 1.254) 6.498 5.945 ( 3.541 -2.318 -2.470) 4.900 6.244 ( -5.300 3.510 1.398) 6.509 6.390 ( -0.345 0.289 -1.090) 1.179 7.525 ( 3.289 -5.280 0.186) 6.223======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( -4.305 3.620 0.958) 5.705 1.875 ( 1.578 -0.769 -2.760) 3.270 1.950 ( -0.317 -0.529 -0.230) 0.658 2.350 ( -0.626 -1.000 2.077) 2.389 3.175 ( -14.274 14.187 -0.327) 20.128 4.017 ( 1.762 -4.977 0.897) 5.356 5.624 ( -1.481 -0.933 0.470) 1.813 5.710 ( -2.630 2.958 0.851) 4.049 5.998 ( 5.119 -0.716 -3.350) 6.159 6.221 ( -4.100 7.089 1.970) 8.423 6.383 ( 0.766 -1.360 -0.916) 1.810 7.548 ( 4.924 -4.489 0.171) 6.665======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -6.012 0.429 1.177) 6.141 1.865 ( -1.048 -1.149 -3.522) 3.851 1.928 ( -1.495 -0.481 1.025) 1.875 2.375 ( 2.437 0.721 2.205) 3.365 2.997 ( -17.159 6.254 -0.186) 18.264 3.956 ( -5.355 -2.877 0.415) 6.093 5.585 ( -3.337 -0.195 0.881) 3.457 5.664 ( -3.397 -0.178 0.360) 3.421 6.027 ( -1.687 0.454 -3.041) 3.506 6.269 ( 2.108 6.204 -1.049) 6.636 6.413 ( 5.425 -2.091 1.101) 5.918 7.606 ( 6.150 -2.970 -0.514) 6.849======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -0.000 0.813 -2.765) 2.882 1.581 ( -0.000 8.021 -5.903) 9.959 1.919 ( -0.000 1.681 0.360) 1.719 2.004 ( -0.000 14.460 1.000) 14.495 2.580 ( -0.000 0.489 -0.805) 0.942 3.380 ( -0.000 24.200 2.969) 24.382 5.195 ( -0.000 5.350 -0.326) 5.360 5.731 ( -0.000 -2.866 -2.778) 3.992 5.893 ( 0.000 0.462 0.331) 0.569 6.260 ( 0.000 -1.214 -0.171) 1.226 6.867 ( 0.000 -16.279 1.811) 16.379 7.900 ( -0.000 -1.494 -5.380) 5.583======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 2.194 1.723 -1.914) 3.383 1.627 ( 0.432 5.350 -7.384) 9.128 1.927 ( -0.274 1.506 0.568) 1.632 2.221 ( 8.209 12.652 0.487) 15.089 2.591 ( 1.437 -1.171 2.049) 2.763 3.634 ( 2.371 20.404 1.470) 20.594 5.294 ( 6.071 4.532 -0.321) 7.583 5.682 ( -1.932 -1.372 -3.008) 3.829 5.906 ( -0.346 2.371 0.056) 2.397 6.252 ( 0.548 -2.142 1.548) 2.699 6.705 ( -1.245 -14.464 0.317) 14.521 7.828 ( -4.687 -1.715 -4.101) 6.460======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 4.569 2.992 0.357) 5.473 1.673 ( 1.711 4.654 -5.501) 7.406 1.940 ( 0.031 0.850 0.639) 1.064 2.459 ( 4.063 4.838 1.762) 6.559 2.671 ( 9.853 4.575 1.010) 10.910 3.848 ( 2.033 13.815 0.243) 13.966 5.474 ( 8.777 4.739 0.044) 9.975 5.633 ( -1.794 0.302 -2.108) 2.784 5.920 ( -1.154 2.753 -0.924) 3.125 6.247 ( 1.074 -2.218 1.685) 2.986 6.551 ( -1.739 -11.135 -0.271) 11.273 7.697 ( -6.970 -1.742 -2.691) 7.672======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 4.016 3.313 0.776) 5.263 1.744 ( 2.463 4.461 -2.221) 5.558 1.947 ( 0.057 0.185 0.324) 0.377 2.470 ( -1.352 -2.754 1.734) 3.524 2.998 ( 14.732 12.171 0.228) 19.111 3.960 ( -0.654 5.797 -0.257) 5.839 5.604 ( 0.135 2.386 -0.146) 2.394 5.668 ( 5.295 3.453 -0.330) 6.330 5.908 ( -1.822 0.613 -1.569) 2.482 6.269 ( 2.772 -0.167 0.609) 2.843 6.436 ( -1.392 -6.214 0.260) 6.373 7.559 ( -5.787 -2.045 -1.370) 6.289======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 1.716 4.065 0.357) 4.427 1.811 ( 1.661 1.646 -0.600) 2.414 1.949 ( 0.075 -0.141 0.036) 0.163 2.410 ( -2.124 -3.194 0.834) 3.926 3.353 ( 9.283 15.672 0.156) 18.216 3.938 ( -2.558 -3.568 -0.086) 4.391 5.630 ( 0.658 1.336 0.247) 1.509 5.756 ( 0.893 3.773 0.531) 3.914 5.870 ( -0.139 -2.729 -1.717) 3.227 6.321 ( 0.633 2.486 0.224) 2.575 6.393 ( 0.450 -0.970 0.164) 1.082 7.464 ( -1.859 -2.758 -0.400) 3.350======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -2.842 3.658 0.784) 4.698 1.832 ( 1.965 -1.215 -1.082) 2.551 1.948 ( 0.048 -0.094 -0.105) 0.149 2.357 ( -1.230 -1.778 0.838) 2.319 3.537 ( -9.749 15.224 -0.034) 18.078 3.871 ( 6.308 -9.577 0.247) 11.470 5.633 ( -0.842 -0.532 0.319) 1.046 5.780 ( -2.398 1.857 1.194) 3.260 5.884 ( 5.520 -0.692 -2.292) 6.017 6.340 ( -0.888 2.491 1.277) 2.937 6.387 ( -2.415 0.730 -0.909) 2.682 7.444 ( 2.460 -2.354 -0.153) 3.408======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( -5.554 -0.957 0.667) 5.676 1.860 ( 0.703 1.365 -1.482) 2.133 1.945 ( -0.521 0.157 0.137) 0.561 2.347 ( 1.317 -0.659 1.756) 2.292 3.341 ( -18.077 0.385 0.297) 18.084 3.944 ( 4.210 -0.765 -0.151) 4.281 5.610 ( -1.400 -0.067 0.616) 1.531 5.733 ( -3.367 -1.337 0.367) 3.642 5.988 ( 5.019 1.957 -3.193) 6.262 6.317 ( -1.489 -3.889 -0.362) 4.180 6.362 ( -1.308 3.706 1.600) 4.243 7.492 ( 4.611 -0.408 -0.714) 4.683======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( -0.000 1.023 -2.376) 2.587 1.632 ( -0.000 2.702 -9.345) 9.728 1.942 ( 0.000 1.023 0.454) 1.119 2.265 ( -0.000 11.057 0.733) 11.082 2.573 ( 0.000 -2.547 4.367) 5.055 3.809 ( -0.000 17.420 0.471) 17.426 5.264 ( -0.000 2.146 -0.643) 2.240 5.680 ( -0.000 -0.225 -3.536) 3.543 5.944 ( -0.000 3.914 0.522) 3.949 6.238 ( 0.000 -1.953 3.666) 4.154 6.578 ( 0.000 -12.389 -1.550) 12.485 7.842 ( -0.000 -1.632 -3.255) 3.641======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 4.080 1.577 -0.864) 4.459 1.650 ( 2.349 2.607 -6.454) 7.347 1.952 ( -0.192 0.717 0.785) 1.080 2.432 ( 6.289 7.541 0.583) 9.837 2.570 ( 3.078 -2.418 3.543) 5.279 3.962 ( 0.366 12.352 -0.441) 12.366 5.350 ( 7.813 1.738 -0.417) 8.015 5.661 ( -1.401 1.053 -2.539) 3.085 5.975 ( -1.197 3.832 0.017) 4.014 6.226 ( -0.116 -2.604 3.543) 4.399 6.464 ( -0.414 -8.560 -2.038) 8.808 7.779 ( -4.539 -1.230 -2.336) 5.251======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 5.837 1.541 -0.196) 6.040 1.724 ( 3.687 3.601 -1.813) 5.463 1.953 ( -0.356 0.158 0.606) 0.720 2.474 ( -1.376 -2.559 1.507) 3.273 2.796 ( 17.115 5.528 0.531) 17.993 4.048 ( -1.524 6.723 -0.817) 6.942 5.537 ( 10.773 1.985 -0.486) 10.966 5.645 ( -1.423 1.769 -0.964) 2.466 5.969 ( -3.091 2.170 -0.280) 3.787 6.214 ( 1.755 -3.102 1.571) 3.895 6.392 ( -0.234 -3.785 -0.654) 3.848 7.661 ( -7.093 -0.530 -1.437) 7.256======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 5.407 1.069 -0.614) 5.546 1.807 ( 1.767 2.481 0.789) 3.146 1.949 ( -0.212 -0.100 0.306) 0.386 2.416 ( -1.909 -2.889 -0.083) 3.463 3.175 ( 20.031 4.790 0.314) 20.598 4.025 ( -6.016 1.563 -0.722) 6.257 5.642 ( -0.524 0.961 -0.098) 1.099 5.707 ( 6.648 1.483 -0.864) 6.866 5.916 ( -4.580 0.829 0.689) 4.705 6.261 ( 6.256 -1.174 -0.474) 6.383 6.372 ( 0.144 -0.855 0.790) 1.173 7.532 ( -6.884 -0.046 -0.549) 6.906======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 4.443 -0.553 -0.654) 4.525 1.823 ( -1.598 0.891 0.863) 2.023 1.947 ( -0.002 -0.010 0.096) 0.096 2.363 ( -1.441 -1.536 -0.645) 2.203 3.537 ( 18.204 -0.656 0.010) 18.216 3.873 ( -11.773 0.533 -0.189) 11.787 5.636 ( -0.148 -0.751 -0.335) 0.836 5.791 ( 2.630 -1.722 -1.303) 3.403 5.863 ( -2.680 4.275 2.203) 5.505 6.349 ( 0.936 0.402 -0.672) 1.220 6.381 ( 3.382 -1.366 0.435) 3.673 7.443 ( -3.290 0.763 0.126) 3.380======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( -2.624 -4.545 -0.000) 5.248 1.859 ( 1.944 3.367 -0.000) 3.888 1.950 ( 0.186 0.321 -0.000) 0.371 2.334 ( -0.477 -0.826 -0.000) 0.954 3.539 ( -8.794 -15.232 -0.000) 17.589 3.865 ( 5.235 9.068 -0.000) 10.471 5.630 ( 0.079 0.136 0.000) 0.157 5.751 ( -1.942 -3.364 -0.000) 3.885 5.940 ( 3.102 5.373 0.000) 6.205 6.299 ( -2.885 -4.997 0.000) 5.770 6.414 ( 0.139 0.241 -0.000) 0.278 7.448 ( 1.595 2.763 -0.000) 3.190======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -0.000 1.217 -0.640) 1.376 1.638 ( -0.000 3.217 -3.281) 4.595 1.962 ( 0.000 0.338 0.966) 1.023 2.437 ( -0.000 5.891 0.218) 5.895 2.525 ( 0.000 -4.493 2.966) 5.384 4.062 ( -0.000 8.519 -1.134) 8.594 5.287 ( -0.000 0.731 0.025) 0.731 5.683 ( -0.000 1.994 -1.393) 2.433 6.023 ( -0.000 3.193 -0.169) 3.198 6.203 ( 0.000 -4.219 1.514) 4.483 6.400 ( -0.000 -3.656 -1.152) 3.833 7.801 ( -0.000 -0.872 -1.831) 2.028======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 4.365 0.924 -0.153) 4.465 1.702 ( 2.847 4.772 1.465) 5.747 1.962 ( -0.354 -0.142 0.844) 0.926 2.469 ( -0.961 -3.186 0.333) 3.345 2.584 ( 10.896 1.834 0.463) 11.059 4.118 ( -0.526 4.112 -1.404) 4.377 5.371 ( 8.502 0.737 0.193) 8.536 5.691 ( -1.455 2.295 0.332) 2.738 6.031 ( -1.697 1.565 -0.540) 2.371 6.161 ( 0.434 -4.150 -1.338) 4.382 6.379 ( -0.493 -0.142 0.858) 1.000 7.754 ( -4.189 -0.080 -1.331) 4.397======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 5.734 -0.084 -0.632) 5.770 1.805 ( 2.271 3.690 3.628) 5.651 1.955 ( -0.427 -0.290 0.562) 0.763 2.414 ( -1.323 -2.872 -1.587) 3.538 2.855 ( 18.605 -0.107 0.408) 18.610 4.109 ( -2.666 0.134 -1.303) 2.970 5.553 ( 10.545 0.109 -0.572) 10.561 5.682 ( -1.738 1.318 1.114) 2.449 6.000 ( -3.133 1.237 0.729) 3.446 6.151 ( 3.369 -2.094 -1.990) 4.438 6.379 ( -0.645 1.062 1.271) 1.777 7.658 ( -6.831 0.799 -0.710) 6.914======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 5.356 -1.916 -0.968) 5.770 1.851 ( -0.422 0.764 2.679) 2.818 1.948 ( -0.179 -0.300 0.220) 0.413 2.369 ( -1.009 -0.732 -2.190) 2.520 3.172 ( 19.635 -5.173 0.203) 20.306 4.025 ( -5.602 -1.152 -0.715) 5.764 5.629 ( -0.299 -1.528 -0.670) 1.695 5.716 ( 4.561 -0.923 -0.504) 4.681 5.968 ( -3.292 3.338 3.246) 5.702 6.237 ( 7.944 -0.216 -1.682) 8.123 6.375 ( -1.499 0.507 0.786) 1.767 7.549 ( -6.699 1.812 0.107) 6.940======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.000 1.019 0.850) 1.328 1.746 ( 0.000 6.636 5.959) 8.919 1.965 ( 0.000 -0.533 0.800) 0.961 2.440 ( -0.000 -4.076 -1.541) 4.357 2.494 ( -0.000 -0.217 -0.114) 0.245 4.138 ( -0.000 0.188 -1.700) 1.710 5.302 ( 0.000 0.502 0.877) 1.010 5.732 ( 0.000 2.166 2.081) 3.004 6.048 ( -0.000 -0.415 -0.975) 1.060 6.114 ( -0.000 -2.348 -4.099) 4.724 6.400 ( 0.000 1.895 2.166) 2.878 7.789 ( -0.000 0.640 -1.280) 1.431======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 3.234 0.210 0.601) 3.296 1.840 ( 0.563 4.878 7.504) 8.968 1.958 ( -0.274 -0.530 0.615) 0.857 2.395 ( -0.476 -2.210 -3.333) 4.027 2.578 ( 11.435 -2.880 0.155) 11.793 4.110 ( -0.493 -3.987 -1.721) 4.370 5.382 ( 8.077 -0.019 0.648) 8.103 5.734 ( -2.234 0.540 2.065) 3.090 6.032 ( -0.174 -1.415 -0.042) 1.427 6.098 ( 0.766 0.798 -3.654) 3.818 6.422 ( -1.121 3.122 1.979) 3.862 7.761 ( -3.987 1.568 -1.096) 4.422======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 4.175 -1.789 -0.432) 4.562 1.877 ( -0.859 -0.000 4.922) 4.997 1.948 ( -0.490 -0.988 0.094) 1.107 2.371 ( -0.254 0.677 -3.038) 3.123 2.797 ( 17.363 -5.682 0.565) 18.278 4.037 ( -1.042 -6.792 -1.292) 6.992 5.531 ( 8.727 -2.204 -0.623) 9.022 5.689 ( -2.402 -1.003 0.522) 2.656 6.018 ( 0.378 -1.811 1.828) 2.601 6.150 ( 3.057 4.528 -0.747) 5.514 6.433 ( -2.335 3.816 0.833) 4.551 7.685 ( -6.515 2.432 -0.514) 6.974======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 0.000 0.238 1.140) 1.164 1.898 ( 0.000 0.617 6.892) 6.920 1.964 ( 0.000 0.861 1.973) 2.153 2.385 ( -0.000 1.930 -3.400) 3.910 2.428 ( 0.000 -6.262 -0.155) 6.264 4.044 ( 0.000 -8.971 -1.926) 9.175 5.312 ( 0.000 -0.267 1.068) 1.101 5.761 ( 0.000 -0.888 1.427) 1.681 5.999 ( -0.000 -3.559 -1.147) 3.739 6.113 ( -0.000 4.588 -1.544) 4.841 6.479 ( 0.000 4.883 1.852) 5.222 7.813 ( -0.000 2.641 -1.470) 3.022======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 1.604 -1.230 0.161) 2.028 1.886 ( -0.324 -3.880 2.943) 4.881 1.955 ( -1.647 -1.680 0.749) 2.469 2.369 ( 0.849 -1.772 -1.502) 2.473 2.511 ( 10.046 -0.283 1.284) 10.132 3.932 ( 0.794 -13.263 -1.700) 13.395 5.368 ( 6.525 -2.119 0.303) 6.867 5.726 ( -2.444 -1.255 -0.295) 2.763 5.967 ( 1.056 -3.888 -0.649) 4.081 6.182 ( 1.241 6.949 2.185) 7.389 6.525 ( -1.827 6.522 0.811) 6.822 7.804 ( -3.976 3.562 -1.431) 5.526======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 0.000 -1.664 -0.409) 1.713 1.831 ( 0.000 -7.941 -1.158) 8.025 1.947 ( 0.000 -3.633 -0.367) 3.652 2.256 ( 0.000 -10.804 0.416) 10.812 2.524 ( 0.000 10.290 3.560) 10.888 3.755 ( 0.000 -19.122 -1.679) 19.196 5.289 ( 0.000 -2.993 0.310) 3.009 5.733 ( -0.000 -0.842 -1.637) 1.841 5.921 ( 0.000 -3.083 -0.390) 3.108 6.252 ( 0.000 7.527 4.340) 8.689 6.619 ( -0.000 8.644 0.373) 8.652 7.874 ( -0.000 4.576 -2.162) 5.061======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 0.000 -0.000 20.822) 20.822 0.600 ( 0.000 -0.000 20.822) 20.822 1.088 ( 0.000 -0.000 39.275) 39.275 1.630 ( -0.000 0.000 -6.272) 6.272 1.630 ( -0.000 0.000 -6.272) 6.272 3.312 ( -0.000 0.000 -15.908) 15.908 4.830 ( 0.000 -0.000 1.149) 1.149 4.830 ( 0.000 -0.000 1.149) 1.149 6.097 ( -0.000 0.000 -0.727) 0.727 6.097 ( -0.000 0.000 -0.727) 0.727 7.675 ( 0.000 -0.000 2.179) 2.179 8.120 ( -0.000 0.000 -0.710) 0.710======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 4.237 2.446 17.129) 17.814 0.819 ( 5.073 2.929 22.154) 22.915 1.427 ( 17.268 9.970 27.133) 33.671 1.661 ( 7.129 4.116 -7.878) 11.394 1.664 ( 3.011 1.738 -5.413) 6.434 2.991 ( -10.317 -5.956 -7.250) 13.946 4.862 ( 2.351 1.357 1.117) 2.935 5.597 ( 38.629 22.303 -23.894) 50.602 6.048 ( -3.860 -2.229 -0.994) 4.567 6.071 ( -2.044 -1.180 -0.725) 2.469 7.655 ( -3.366 -1.943 3.540) 5.257 8.036 ( -5.504 -3.177 -2.835) 6.959======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 9.503 5.487 10.040) 14.873 0.973 ( 3.763 2.173 16.927) 17.476 1.701 ( 6.171 3.563 1.192) 7.225 1.740 ( 5.048 2.914 -4.151) 7.156 2.088 ( 24.915 14.385 5.876) 29.363 2.857 ( -0.278 -0.160 -7.400) 7.407 4.942 ( 4.312 2.489 0.904) 5.060 5.917 ( -6.147 -3.549 -1.358) 7.226 6.008 ( -3.102 -1.791 -0.673) 3.645 6.170 ( 17.888 10.327 -15.166) 25.625 7.519 ( -10.079 -5.819 7.573) 13.885 7.899 ( -4.635 -2.676 -8.206) 9.797======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 8.910 5.144 4.539) 11.245 1.110 ( 5.396 3.115 7.448) 9.710 1.830 ( 4.962 2.865 -0.134) 5.731 1.876 ( 7.831 4.521 -2.398) 9.355 2.576 ( 13.550 7.823 -2.717) 15.881 2.972 ( 13.568 7.834 0.431) 15.673 5.058 ( 5.424 3.132 0.580) 6.290 5.764 ( -6.407 -3.699 -1.145) 7.487 5.940 ( -2.401 -1.386 -0.507) 2.819 6.404 ( 6.557 3.786 -8.064) 11.061 7.251 ( -14.975 -8.646 6.092) 18.334 7.791 ( -2.642 -1.525 -6.736) 7.395======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 6.035 3.485 0.991) 7.039 1.273 ( 7.855 4.535 1.034) 9.129 1.922 ( 3.105 1.793 -0.214) 3.592 2.075 ( 9.621 5.554 -0.829) 11.140 2.710 ( 1.870 1.080 -3.429) 4.053 3.395 ( 19.131 11.045 2.517) 22.234 5.178 ( 4.734 2.733 0.084) 5.467 5.642 ( -3.615 -2.087 -0.753) 4.241 5.910 ( 0.056 0.032 -0.077) 0.101 6.456 ( 0.660 0.381 -5.473) 5.526 6.891 ( -17.154 -9.904 2.059) 19.914 7.743 ( -0.611 -0.353 -1.780) 1.915======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 3.741 2.160 -0.654) 4.369 1.470 ( 9.471 5.468 -2.736) 11.273 1.974 ( 1.613 0.931 -0.601) 1.957 2.285 ( 8.441 4.874 -0.087) 9.748 2.681 ( -3.692 -2.131 -0.699) 4.320 3.778 ( 13.514 7.802 1.732) 15.701 5.263 ( 2.717 1.569 -0.576) 3.190 5.609 ( 1.033 0.597 -0.381) 1.253 5.942 ( 2.429 1.403 0.601) 2.869 6.435 ( -0.766 -0.442 -4.916) 4.995 6.513 ( -15.630 -9.024 1.299) 18.094 7.739 ( 0.118 0.068 0.990) 0.999======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 2.259 1.304 -1.148) 2.849 1.681 ( 10.116 5.841 -5.933) 13.102 1.993 ( 0.340 0.196 -1.075) 1.144 2.439 ( 4.739 2.736 0.139) 5.474 2.551 ( -7.246 -4.183 1.370) 8.478 4.015 ( 6.810 3.932 1.871) 8.083 5.304 ( 1.285 0.742 -1.046) 1.815 5.678 ( 4.735 2.733 -0.908) 5.542 6.002 ( 2.117 1.222 1.127) 2.691 6.199 ( -11.238 -6.488 1.233) 13.035 6.422 ( 0.238 0.137 -2.292) 2.309 7.747 ( 0.155 0.089 1.679) 1.688======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 1.106 0.638 -1.087) 1.677 1.883 ( 8.960 5.173 -8.580) 13.441 1.983 ( -0.838 -0.484 -1.235) 1.569 2.395 ( -6.065 -3.502 3.530) 7.843 2.492 ( -0.246 -0.142 0.162) 0.327 4.101 ( 0.159 0.092 2.206) 2.214 5.321 ( 0.566 0.327 -1.144) 1.318 5.779 ( 2.992 1.727 -2.899) 4.510 6.027 ( -0.472 -0.273 1.270) 1.382 6.035 ( -2.709 -1.564 4.138) 5.187 6.437 ( 1.608 0.928 -1.720) 2.531 7.760 ( 0.677 0.391 1.806) 1.968======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( -0.021 -0.012 -0.646) 0.647 1.938 ( -2.509 -1.448 -2.167) 3.618 1.992 ( 0.728 0.420 -3.603) 3.699 2.363 ( 3.786 2.186 1.071) 4.501 2.427 ( -5.346 -3.086 0.032) 6.173 4.025 ( -7.658 -4.421 2.083) 9.085 5.321 ( -0.390 -0.225 -0.887) 0.995 5.767 ( -2.104 -1.215 0.064) 2.430 5.989 ( -2.914 -1.683 1.017) 3.515 6.106 ( 6.290 3.632 -0.108) 7.264 6.492 ( 3.899 2.251 -1.108) 4.636 7.797 ( 2.191 1.265 2.169) 3.332======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 0.000 11.323 15.861) 19.488 0.929 ( 0.000 13.096 16.754) 21.265 1.449 ( 0.000 10.822 30.491) 32.355 1.561 ( -0.000 -0.571 -8.775) 8.794 1.723 ( -0.000 12.109 -5.312) 13.223 2.968 ( -0.000 -11.625 -9.464) 14.990 4.862 ( 0.000 2.636 1.122) 2.864 5.518 ( -0.000 41.343 -19.592) 45.750 6.055 ( -0.000 -3.239 -1.353) 3.510 6.065 ( -0.000 -2.584 -0.727) 2.684 7.661 ( 0.000 -4.298 3.466) 5.521 8.039 ( -0.000 -5.260 -2.973) 6.042======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( -0.209 14.778 10.006) 17.848 1.082 ( -2.291 9.780 18.302) 20.877 1.591 ( 6.201 0.944 -7.187) 9.539 1.704 ( 6.191 6.155 6.794) 11.063 1.958 ( 11.698 21.081 5.347) 24.695 2.835 ( -1.296 -2.908 -9.317) 9.846 4.921 ( 2.461 4.072 1.034) 4.869 5.918 ( 6.782 7.142 -7.463) 12.358 5.998 ( 0.668 2.614 -4.803) 5.509 6.037 ( 1.797 3.436 -5.445) 6.684 7.577 ( -3.851 -9.724 6.387) 12.255 7.939 ( -4.505 -2.417 -7.049) 8.708======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 2.416 13.067 4.304) 13.968 1.168 ( -2.346 7.786 13.050) 15.376 1.731 ( 8.350 3.475 -2.625) 9.418 1.845 ( 3.767 7.049 -1.167) 8.078 2.423 ( 15.054 14.388 0.613) 20.833 2.864 ( 7.183 6.341 -3.426) 10.175 5.028 ( 3.860 5.768 0.927) 7.002 5.822 ( -5.473 -5.014 -1.074) 7.500 5.957 ( -1.904 -2.617 -0.630) 3.297 6.282 ( 9.454 6.946 -9.091) 14.842 7.373 ( -9.071 -12.999 6.922) 17.296 7.820 ( -4.604 -0.499 -7.894) 9.152======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 1.660 6.912 6.088) 9.360 1.276 ( 2.035 10.464 1.317) 10.741 1.875 ( 4.537 2.413 0.095) 5.139 2.012 ( 6.944 10.222 -1.559) 12.456 2.653 ( 5.166 2.800 -4.515) 7.411 3.212 ( 17.297 14.484 2.232) 22.671 5.161 ( 3.615 7.088 0.743) 7.991 5.684 ( -4.697 -3.608 -0.644) 5.958 5.910 ( -0.756 -1.124 -0.586) 1.476 6.401 ( 3.729 0.082 -6.036) 7.096 7.062 ( -13.946 -12.495 3.284) 19.010 7.740 ( -1.583 -1.230 -3.303) 3.864======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 1.600 5.875 3.194) 6.875 1.420 ( 4.441 9.031 -1.571) 10.185 1.946 ( 2.337 0.888 -0.363) 2.527 2.242 ( 6.572 11.584 -0.234) 13.320 2.694 ( -0.010 -0.615 -2.272) 2.354 3.631 ( 14.873 11.257 1.563) 18.718 5.279 ( 1.220 7.444 0.285) 7.549 5.606 ( -1.140 -1.278 -0.033) 1.713 5.915 ( 1.815 0.503 -0.158) 1.890 6.406 ( 0.835 -2.022 -5.226) 5.665 6.697 ( -15.638 -9.894 1.122) 18.540 7.716 ( 1.013 -2.521 0.431) 2.751======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 0.491 4.687 0.419) 4.731 1.595 ( 6.449 8.157 -2.945) 10.807 1.978 ( 1.151 -0.024 -0.858) 1.435 2.434 ( 3.170 8.709 0.473) 9.280 2.635 ( -4.977 -0.459 -0.756) 5.055 3.930 ( 9.356 6.244 1.594) 11.360 5.348 ( -1.455 7.322 -0.318) 7.472 5.623 ( 3.227 0.763 0.015) 3.316 5.969 ( 3.031 0.764 0.528) 3.170 6.334 ( -8.899 -5.615 -3.459) 11.076 6.418 ( -3.652 -2.237 0.699) 4.339 7.717 ( 1.940 -3.194 1.603) 4.066======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( -0.334 3.674 -0.400) 3.711 1.773 ( 7.224 6.450 -5.925) 11.354 1.981 ( 0.029 -0.644 -1.130) 1.300 2.454 ( -4.029 -3.771 2.057) 5.889 2.592 ( -4.727 10.217 -0.365) 11.263 4.085 ( 3.529 1.726 2.018) 4.416 5.379 ( -2.922 7.204 -0.655) 7.801 5.708 ( 4.923 0.671 -1.402) 5.163 6.015 ( 1.585 -0.400 1.157) 2.003 6.127 ( -7.513 -2.019 1.888) 8.005 6.406 ( 1.410 -0.420 -1.737) 2.276 7.726 ( 2.263 -3.090 1.609) 4.154======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -1.121 2.498 -0.566) 2.796 1.908 ( 4.528 1.866 -7.560) 9.007 1.965 ( -0.302 -0.602 -0.790) 1.038 2.364 ( -2.179 -1.585 3.505) 4.421 2.580 ( -8.297 8.744 -0.291) 12.057 4.093 ( -3.204 -2.255 2.049) 4.422 5.388 ( -3.838 6.558 -0.649) 7.626 5.750 ( 1.259 -2.493 -1.598) 3.217 6.032 ( -2.172 -0.106 0.099) 2.177 6.067 ( 1.941 2.319 2.915) 4.200 6.438 ( 3.228 0.264 -1.503) 3.571 7.749 ( 3.266 -2.457 1.584) 4.383======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 0.000 14.155 8.109) 16.313 1.272 ( 0.000 11.166 11.955) 16.359 1.522 ( -0.000 3.870 -9.878) 10.610 1.735 ( 0.000 6.665 9.707) 11.774 2.101 ( -0.000 23.519 3.434) 23.768 2.792 ( -0.000 -0.644 -8.744) 8.768 4.947 ( -0.000 5.285 0.861) 5.355 5.905 ( -0.000 -0.362 -1.703) 1.741 5.995 ( 0.000 -3.898 -0.532) 3.934 6.056 ( -0.000 13.990 -11.159) 17.896 7.511 ( 0.000 -13.845 6.543) 15.313 7.939 ( -0.000 -0.987 -8.140) 8.200======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( -1.390 12.210 2.484) 12.538 1.346 ( -3.135 6.600 7.175) 10.241 1.642 ( 6.918 9.444 -2.384) 11.947 1.849 ( 3.205 5.720 1.681) 6.769 2.390 ( 6.905 16.959 -0.568) 18.319 2.832 ( 3.918 9.477 -2.561) 10.570 5.034 ( 2.963 6.624 0.788) 7.299 5.839 ( -2.973 -5.496 -1.106) 6.346 5.948 ( -0.770 -3.303 -0.417) 3.418 6.206 ( 5.169 8.599 -7.044) 12.259 7.350 ( -3.419 -16.373 6.342) 17.888 7.874 ( -4.022 0.177 -8.407) 9.321======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 0.127 7.983 0.322) 7.991 1.396 ( -1.544 8.652 3.388) 9.419 1.836 ( 4.325 5.690 2.138) 7.460 1.999 ( 6.932 10.789 -1.905) 12.965 2.585 ( 4.936 4.655 -4.207) 7.983 3.127 ( 11.817 18.651 2.214) 22.191 5.176 ( 4.416 8.412 0.948) 9.548 5.720 ( -4.216 -4.378 -1.055) 6.169 5.906 ( -0.707 -1.896 -0.769) 2.165 6.317 ( 4.070 0.900 -4.209) 5.924 7.115 ( -7.205 -15.866 4.251) 17.936 7.771 ( -4.677 -0.665 -5.657) 7.370======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 1.860 6.819 3.757) 8.005 1.471 ( -0.004 9.019 -1.733) 9.184 1.918 ( 1.985 1.486 0.592) 2.549 2.260 ( 7.262 14.432 -0.011) 16.156 2.666 ( 2.667 1.454 -2.464) 3.912 3.522 ( 12.787 15.064 1.244) 19.799 5.338 ( 3.024 9.777 1.060) 10.289 5.622 ( -2.706 -2.199 -0.326) 3.502 5.891 ( 0.778 -0.285 -1.048) 1.336 6.345 ( 1.865 -2.331 -3.739) 4.785 6.826 ( -10.902 -12.436 1.648) 16.620 7.685 ( -1.753 -2.984 -1.656) 3.836======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( -0.658 6.022 2.632) 6.605 1.590 ( 3.727 8.786 -1.782) 9.709 1.954 ( 1.309 0.139 -0.297) 1.350 2.471 ( 2.721 7.246 0.809) 7.782 2.712 ( -0.218 7.390 -1.471) 7.538 3.838 ( 9.854 8.382 0.905) 12.968 5.462 ( -0.476 9.960 0.832) 10.006 5.593 ( 0.602 0.032 0.322) 0.684 5.922 ( 2.833 0.250 -0.801) 2.955 6.327 ( 0.272 -2.670 -3.930) 4.759 6.535 ( -11.131 -6.970 1.141) 13.183 7.644 ( 1.511 -4.910 0.642) 5.177======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( -1.572 5.611 1.099) 5.929 1.732 ( 4.217 6.942 -2.571) 8.519 1.966 ( 0.584 -0.567 -0.725) 1.090 2.479 ( -2.407 -3.316 1.032) 4.226 2.809 ( -3.930 16.928 -0.772) 17.395 4.027 ( 5.939 2.207 1.390) 6.486 5.527 ( -3.320 9.757 0.507) 10.319 5.636 ( 3.508 0.526 -0.029) 3.547 5.971 ( 3.009 -0.817 -0.361) 3.139 6.236 ( -6.781 -2.344 -0.942) 7.236 6.390 ( -1.372 -0.752 -0.352) 1.603 7.637 ( 3.254 -5.497 1.121) 6.485======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -2.591 4.675 0.567) 5.375 1.843 ( 3.569 3.428 -4.636) 6.781 1.960 ( -0.079 -0.702 -0.707) 0.999 2.396 ( -2.788 -2.977 2.348) 4.707 2.860 ( -9.439 16.054 -0.543) 18.631 4.095 ( 1.350 -2.007 1.641) 2.923 5.549 ( -4.841 8.607 0.480) 9.887 5.691 ( 2.456 -1.075 -1.000) 2.862 6.009 ( 3.010 -0.766 -1.134) 3.307 6.131 ( -4.607 1.832 2.215) 5.430 6.391 ( 1.469 -0.172 -1.311) 1.976 7.650 ( 4.123 -5.144 0.933) 6.658======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 10.663 -0.044) 10.663 1.391 ( -0.000 0.829 -2.675) 2.800 1.711 ( -0.000 15.154 1.256) 15.206 1.871 ( 0.000 3.658 1.596) 3.991 2.475 ( -0.000 10.725 -3.038) 11.147 2.934 ( -0.000 19.057 2.000) 19.162 5.071 ( -0.000 6.629 0.259) 6.634 5.807 ( -0.000 -5.340 -1.755) 5.621 5.921 ( 0.000 -2.929 -0.068) 2.930 6.224 ( -0.000 5.726 -3.192) 6.555 7.223 ( 0.000 -18.099 5.112) 18.807 7.889 ( -0.000 0.390 -8.063) 8.073======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -0.079 3.271 -3.141) 4.536 1.477 ( 0.621 7.144 -2.913) 7.740 1.868 ( 0.601 7.100 2.813) 7.660 1.971 ( 7.235 10.209 -1.333) 12.584 2.562 ( 2.067 4.610 -1.635) 5.310 3.200 ( 4.786 22.945 2.737) 23.598 5.176 ( 4.351 6.992 0.148) 8.236 5.730 ( -2.371 -4.281 -2.222) 5.374 5.896 ( -0.358 -1.309 -0.134) 1.364 6.271 ( 1.624 1.158 -0.564) 2.073 7.036 ( -2.339 -17.898 3.474) 18.381 7.832 ( -4.149 -0.152 -6.463) 7.682======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 3.126 4.652 -0.146) 5.606 1.542 ( 0.515 6.564 -3.720) 7.562 1.917 ( 0.581 1.878 1.037) 2.223 2.255 ( 9.720 13.906 0.155) 16.967 2.629 ( 2.766 1.905 -0.229) 3.366 3.522 ( 7.030 18.870 1.216) 20.174 5.349 ( 6.513 7.925 0.409) 10.266 5.645 ( -2.640 -2.274 -1.625) 3.844 5.884 ( -0.377 0.350 -0.715) 0.880 6.290 ( 1.137 -1.654 -0.162) 2.013 6.821 ( -4.332 -15.391 1.744) 16.084 7.720 ( -5.533 -1.516 -3.804) 6.883======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 2.850 4.486 2.411) 5.836 1.616 ( 1.983 7.452 -3.220) 8.356 1.941 ( 0.578 0.604 0.329) 0.898 2.482 ( 2.867 4.470 0.923) 5.390 2.750 ( 6.746 10.305 -0.354) 12.322 3.792 ( 6.289 11.221 0.303) 12.867 5.526 ( 3.800 7.384 0.681) 8.332 5.603 ( -0.411 0.947 -0.434) 1.120 5.888 ( 0.624 0.634 -1.235) 1.522 6.287 ( 0.849 -1.635 -0.879) 2.041 6.605 ( -6.022 -10.395 0.688) 12.033 7.610 ( -3.243 -3.434 -1.210) 4.876======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( -0.027 5.015 1.054) 5.125 1.731 ( 3.258 6.034 -0.953) 6.924 1.951 ( 0.405 -0.129 -0.143) 0.449 2.482 ( -1.606 -3.125 0.557) 3.557 3.003 ( 3.500 18.537 -0.275) 18.866 3.953 ( 4.675 2.500 0.442) 5.320 5.598 ( 1.751 1.819 0.412) 2.559 5.658 ( -0.614 6.854 0.733) 6.921 5.906 ( 2.188 -1.313 -1.305) 2.866 6.284 ( -0.621 0.508 -1.087) 1.352 6.436 ( -4.914 -3.630 0.328) 6.118 7.543 ( 0.611 -5.081 0.204) 5.122======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( -1.968 5.257 0.959) 5.695 1.819 ( 2.182 2.798 -1.722) 3.944 1.952 ( 0.124 -0.379 -0.364) 0.540 2.412 ( -2.200 -3.415 0.955) 4.172 3.178 ( -5.822 19.636 -0.369) 20.484 4.017 ( 4.140 -4.204 0.907) 5.970 5.641 ( 0.970 0.024 0.056) 0.972 5.698 ( -1.728 6.342 1.109) 6.666 5.926 ( 3.414 -2.960 -1.660) 4.814 6.254 ( -4.692 4.186 0.988) 6.365 6.381 ( -0.628 0.025 -1.071) 1.242 7.528 ( 3.459 -5.608 0.406) 6.602======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( -0.000 1.181 -3.972) 4.144 1.519 ( -0.000 5.842 -7.925) 9.846 1.917 ( -0.000 1.617 -0.488) 1.689 2.017 ( -0.000 14.126 1.676) 14.225 2.585 ( 0.000 2.819 1.843) 3.368 3.403 ( -0.000 23.313 2.099) 23.407 5.191 ( -0.000 5.102 -0.450) 5.122 5.703 ( -0.000 -3.331 -3.343) 4.720 5.897 ( 0.000 0.635 0.453) 0.780 6.271 ( 0.000 0.106 2.477) 2.479 6.883 ( 0.000 -17.891 1.733) 17.975 7.850 ( -0.000 -0.287 -5.744) 5.751======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 3.207 2.328 -2.033) 4.454 1.557 ( 1.698 4.522 -7.938) 9.292 1.932 ( 0.010 1.509 0.501) 1.590 2.226 ( 7.930 12.662 0.628) 14.954 2.614 ( 0.762 0.184 3.042) 3.142 3.644 ( 2.218 19.606 0.740) 19.745 5.290 ( 6.289 4.382 -0.448) 7.678 5.654 ( -1.469 -1.535 -3.108) 3.764 5.908 ( -0.731 2.414 0.220) 2.532 6.275 ( -0.113 -1.188 3.444) 3.645 6.708 ( -0.998 -15.910 0.172) 15.942 7.790 ( -4.407 -0.728 -4.217) 6.142======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 5.399 2.887 0.438) 6.138 1.626 ( 3.062 5.250 -4.793) 7.740 1.945 ( -0.061 0.831 0.574) 1.011 2.471 ( 4.703 5.635 0.864) 7.391 2.683 ( 8.474 4.261 1.558) 9.613 3.848 ( 1.997 13.350 -0.206) 13.500 5.473 ( 9.080 4.550 -0.352) 10.162 5.615 ( -1.177 0.368 -1.912) 2.275 5.915 ( -1.621 2.787 -0.192) 3.230 6.266 ( -0.012 -1.566 2.680) 3.105 6.548 ( -1.210 -11.988 -0.427) 12.057 7.673 ( -6.491 -1.196 -2.428) 7.033======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 4.122 2.696 -0.020) 4.926 1.730 ( 3.241 5.375 -0.814) 6.329 1.950 ( -0.109 0.186 0.252) 0.332 2.481 ( -1.650 -2.861 0.642) 3.364 3.000 ( 14.582 12.258 0.276) 19.051 3.957 ( -0.480 5.545 -0.388) 5.579 5.601 ( 0.373 2.386 -0.355) 2.441 5.664 ( 5.979 3.156 -0.594) 6.787 5.901 ( -2.243 0.985 -0.068) 2.451 6.276 ( 1.783 -0.033 0.844) 1.972 6.437 ( -0.939 -6.272 0.031) 6.342 7.548 ( -5.292 -1.908 -0.876) 5.693======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 2.149 3.722 -0.000) 4.298 1.808 ( 1.203 2.084 -0.000) 2.407 1.949 ( -0.052 -0.091 -0.000) 0.105 2.414 ( -1.984 -3.437 -0.000) 3.968 3.353 ( 9.111 15.781 -0.000) 18.222 3.938 ( -2.189 -3.791 -0.000) 4.378 5.631 ( 0.742 1.286 -0.000) 1.485 5.759 ( 1.939 3.358 -0.000) 3.877 5.862 ( -1.226 -2.124 -0.000) 2.453 6.323 ( 1.321 2.288 -0.000) 2.642 6.394 ( -0.398 -0.689 -0.000) 0.795 7.462 ( -1.616 -2.799 -0.000) 3.233======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( -0.000 1.780 -2.083) 2.740 1.552 ( -0.000 3.848 -8.030) 8.904 1.948 ( 0.000 1.334 0.888) 1.603 2.272 ( -0.000 10.739 0.743) 10.765 2.611 ( 0.000 -2.248 4.093) 4.670 3.810 ( -0.000 16.677 -0.289) 16.680 5.260 ( -0.000 2.262 -0.378) 2.293 5.650 ( -0.000 0.167 -3.131) 3.136 5.947 ( -0.000 3.765 0.247) 3.773 6.277 ( 0.000 -1.759 5.036) 5.335 6.564 ( 0.000 -13.606 -1.715) 13.714 7.811 ( -0.000 -0.690 -3.546) 3.613======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 4.550 1.904 -0.671) 4.977 1.603 ( 3.052 4.931 -3.939) 7.011 1.960 ( -0.298 0.774 1.002) 1.301 2.436 ( 6.573 7.641 0.221) 10.081 2.600 ( 2.247 -3.176 3.013) 4.921 3.956 ( 0.441 11.894 -1.051) 11.949 5.347 ( 7.709 1.901 -0.196) 7.942 5.641 ( -1.169 1.854 -1.911) 2.908 5.975 ( -1.290 3.632 -0.138) 3.857 6.260 ( -0.446 -3.812 4.045) 5.576 6.446 ( -0.066 -8.422 -1.914) 8.637 7.757 ( -4.370 -0.544 -2.508) 5.068======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 5.838 1.297 -0.812) 6.035 1.718 ( 4.071 5.610 0.494) 6.949 1.959 ( -0.552 0.158 0.732) 0.930 2.482 ( -1.551 -3.187 0.285) 3.556 2.802 ( 16.867 5.292 0.723) 17.692 4.039 ( -1.333 6.497 -1.221) 6.744 5.532 ( 10.538 1.946 -0.579) 10.732 5.638 ( -1.293 2.626 -0.460) 2.963 5.969 ( -2.871 2.233 0.089) 3.638 6.226 ( 1.499 -4.892 1.239) 5.265 6.389 ( 0.043 -2.788 -0.108) 2.790 7.649 ( -6.807 -0.125 -1.403) 6.951======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -0.000 1.841 -0.012) 1.841 1.623 ( -0.000 6.492 0.097) 6.493 1.972 ( 0.000 0.281 1.185) 1.218 2.439 ( -0.000 5.718 0.119) 5.719 2.547 ( 0.000 -5.824 1.785) 6.091 4.049 ( -0.000 8.276 -1.710) 8.451 5.289 ( 0.000 1.018 0.471) 1.122 5.675 ( -0.000 3.304 -0.556) 3.351 6.019 ( -0.000 2.919 -0.621) 2.985 6.211 ( 0.000 -7.560 0.221) 7.563 6.396 ( 0.000 -1.714 0.282) 1.737 7.783 ( -0.000 -0.336 -2.140) 2.166======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 3.928 1.245 0.072) 4.121 1.727 ( 2.581 7.488 4.071) 8.905 1.971 ( -0.452 -0.260 1.058) 1.179 2.467 ( -1.076 -4.317 -0.829) 4.525 2.589 ( 10.966 1.336 0.482) 11.058 4.103 ( -0.409 4.036 -1.887) 4.474 5.374 ( 8.137 0.937 0.461) 8.203 5.697 ( -1.598 3.525 1.007) 3.999 6.024 ( -1.480 1.411 -0.893) 2.232 6.145 ( 1.159 -6.056 -2.024) 6.490 6.391 ( -0.762 0.720 1.552) 1.873 7.741 ( -4.029 0.248 -1.605) 4.344======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.000 1.274 1.073) 1.666 1.809 ( 0.000 8.992 7.857) 11.941 1.973 ( 0.000 -0.762 1.059) 1.305 2.422 ( -0.000 -5.778 -2.520) 6.304 2.493 ( -0.000 -0.277 -0.151) 0.316 4.121 ( -0.000 0.211 -2.160) 2.170 5.311 ( 0.000 0.639 1.116) 1.286 5.753 ( 0.000 2.987 2.724) 4.042 6.038 ( -0.000 -0.530 -1.241) 1.349 6.074 ( -0.000 -2.878 -4.502) 5.343 6.420 ( 0.000 2.050 2.100) 2.934 7.776 ( -0.000 0.791 -1.692) 1.868======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 0.000 -0.000 19.223) 19.223 0.780 ( 0.000 -0.000 19.223) 19.223 1.434 ( 0.000 -0.000 37.773) 37.773 1.565 ( -0.000 0.000 -8.134) 8.134 1.565 ( -0.000 0.000 -8.134) 8.134 3.148 ( -0.000 0.000 -20.338) 20.338 4.841 ( 0.000 -0.000 1.169) 1.169 4.841 ( 0.000 -0.000 1.169) 1.169 6.090 ( -0.000 0.000 -0.744) 0.744 6.090 ( -0.000 0.000 -0.744) 0.744 7.695 ( 0.000 -0.000 2.245) 2.245 8.113 ( -0.000 0.000 -0.790) 0.790======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( 2.053 1.185 17.589) 17.748 1.011 ( 6.115 3.531 20.267) 21.462 1.565 ( 4.097 2.365 -8.183) 9.452 1.607 ( 3.676 2.122 -7.204) 8.362 1.692 ( 13.835 7.987 26.203) 30.688 2.898 ( -8.811 -5.087 -13.425) 16.845 4.872 ( 2.293 1.324 1.018) 2.836 5.427 ( 35.510 20.501 -14.418) 43.464 6.040 ( -4.034 -2.329 -0.874) 4.740 6.065 ( -2.034 -1.174 -0.732) 2.460 7.685 ( -2.022 -1.168 3.097) 3.879 8.014 ( -7.384 -4.263 -2.249) 8.818======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 6.764 3.905 12.415) 14.667 1.132 ( 0.411 0.237 17.559) 17.565 1.683 ( 7.184 4.148 -4.450) 9.413 1.696 ( 5.931 3.424 -5.703) 8.912 2.163 ( 20.485 11.827 10.198) 25.758 2.780 ( 1.828 1.056 -9.686) 9.914 4.950 ( 4.229 2.441 0.789) 4.946 5.906 ( -5.537 -3.197 -0.999) 6.471 6.002 ( -3.071 -1.773 -0.698) 3.614 6.047 ( 20.039 11.570 -11.880) 26.011 7.586 ( -9.284 -5.360 7.539) 13.105 7.828 ( -5.737 -3.312 -7.652) 10.121======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 6.677 3.855 6.827) 10.298 1.191 ( 2.089 1.206 10.092) 10.376 1.825 ( 5.419 3.129 -0.831) 6.313 1.850 ( 8.803 5.083 -3.437) 10.730 2.550 ( 10.420 6.016 -3.067) 12.416 2.973 ( 16.809 9.705 -0.144) 19.410 5.063 ( 5.303 3.061 0.588) 6.151 5.757 ( -6.330 -3.655 -0.247) 7.313 5.935 ( -2.299 -1.327 -0.603) 2.722 6.333 ( 7.873 4.545 -7.601) 11.850 7.297 ( -16.509 -9.532 3.839) 19.446 7.744 ( -0.877 -0.506 -3.459) 3.604======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 4.690 2.708 2.641) 6.025 1.302 ( 5.542 3.200 5.279) 8.296 1.918 ( 3.046 1.759 -0.525) 3.556 2.064 ( 10.226 5.904 -1.405) 11.891 2.677 ( 2.860 1.651 -3.785) 5.023 3.413 ( 19.002 10.971 1.458) 21.990 5.180 ( 4.495 2.595 0.276) 5.198 5.641 ( -3.542 -2.045 0.540) 4.126 5.908 ( 0.304 0.176 -0.271) 0.444 6.404 ( 1.178 0.680 -6.135) 6.284 6.904 ( -17.806 -10.280 0.794) 20.575 7.740 ( 0.411 0.238 1.061) 1.162======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 3.117 1.799 0.402) 3.621 1.463 ( 7.429 4.289 1.282) 8.674 1.966 ( 1.492 0.862 -0.945) 1.965 2.283 ( 8.685 5.014 -0.389) 10.036 2.669 ( -2.762 -1.595 -2.064) 3.799 3.793 ( 13.575 7.838 1.467) 15.744 5.259 ( 2.430 1.403 -0.291) 2.821 5.612 ( 0.854 0.493 0.900) 1.335 5.946 ( 2.733 1.578 0.369) 3.177 6.383 ( -1.518 -0.877 -6.262) 6.502 6.530 ( -14.043 -8.108 2.069) 16.347 7.755 ( 0.269 0.155 2.377) 2.397======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 2.025 1.169 -0.627) 2.421 1.639 ( 8.192 4.730 -3.339) 10.031 1.983 ( 0.250 0.144 -1.224) 1.257 2.439 ( 4.823 2.785 0.007) 5.569 2.556 ( -6.168 -3.561 -0.299) 7.128 4.032 ( 6.965 4.021 1.969) 8.280 5.295 ( 1.113 0.643 -0.834) 1.532 5.673 ( 3.921 2.264 -0.231) 4.534 6.012 ( 2.298 1.327 0.962) 2.822 6.208 ( -9.374 -5.412 0.723) 10.849 6.405 ( -0.135 -0.078 -1.531) 1.539 7.764 ( 0.032 0.018 2.103) 2.104======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( 0.000 7.973 17.101) 18.869 1.073 ( 0.000 11.585 15.210) 19.120 1.474 ( -0.000 -1.079 -10.387) 10.443 1.627 ( -0.000 7.032 -2.468) 7.452 1.759 ( 0.000 11.786 24.709) 27.376 2.856 ( -0.000 -9.316 -15.311) 17.923 4.872 ( 0.000 2.576 1.030) 2.775 5.381 ( -0.000 38.171 -11.381) 39.832 6.044 ( -0.000 -3.907 -1.119) 4.064 6.059 ( 0.000 -2.549 -0.604) 2.620 7.690 ( 0.000 -2.775 2.998) 4.086 8.015 ( -0.000 -7.649 -2.408) 8.019======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( -1.261 10.557 12.205) 16.187 1.238 ( -1.356 6.931 15.956) 17.449 1.514 ( 8.593 1.959 -9.080) 12.654 1.712 ( 1.733 8.555 -4.218) 9.695 2.057 ( 11.165 15.102 15.205) 24.165 2.739 ( -0.163 -0.865 -12.104) 12.136 4.929 ( 2.429 4.055 0.834) 4.800 5.836 ( 14.147 21.022 -8.956) 26.875 5.964 ( -2.881 -2.919 -2.293) 4.699 6.018 ( -1.309 -2.695 -0.960) 3.146 7.634 ( -2.803 -8.277 6.264) 10.752 7.878 ( -5.586 -4.707 -6.618) 9.857======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 1.610 8.719 6.385) 10.926 1.277 ( -3.257 5.303 10.576) 12.271 1.710 ( 9.789 5.577 -1.581) 11.376 1.823 ( 3.288 7.685 -3.443) 9.040 2.429 ( 11.235 9.797 0.580) 14.918 2.833 ( 10.421 10.342 -3.164) 15.019 5.035 ( 3.799 5.857 0.719) 7.018 5.815 ( -5.325 -5.127 -0.349) 7.401 5.951 ( -1.965 -2.620 -0.593) 3.328 6.209 ( 10.176 8.753 -6.996) 15.136 7.430 ( -10.240 -13.862 5.340) 18.042 7.757 ( -2.990 -0.019 -5.660) 6.401======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 2.854 7.031 2.522) 7.996 1.330 ( -0.704 6.309 7.655) 9.944 1.878 ( 3.953 2.777 0.545) 4.862 1.994 ( 7.736 11.112 -2.365) 13.744 2.614 ( 5.390 3.168 -4.028) 7.437 3.226 ( 17.418 14.709 0.960) 22.818 5.168 ( 3.434 7.241 0.670) 8.042 5.683 ( -4.408 -3.722 0.479) 5.789 5.905 ( -0.613 -1.208 -0.625) 1.492 6.349 ( 3.668 0.943 -5.463) 6.648 7.082 ( -15.117 -12.720 1.115) 19.788 7.725 ( 0.299 -1.208 -0.084) 1.248======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 0.244 6.389 1.271) 6.519 1.432 ( 3.898 6.440 4.540) 8.791 1.942 ( 1.994 0.963 -0.554) 2.282 2.238 ( 6.795 12.154 -0.556) 13.935 2.671 ( 0.549 0.009 -2.911) 2.962 3.642 ( 14.985 11.184 0.887) 18.719 5.282 ( 0.839 7.592 0.413) 7.649 5.611 ( -1.019 -1.451 1.292) 2.193 5.913 ( 2.205 0.413 -0.290) 2.262 6.358 ( 0.547 -1.549 -5.392) 5.636 6.705 ( -15.357 -9.667 0.597) 18.156 7.728 ( 1.723 -2.852 2.266) 4.029======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -0.360 4.974 0.686) 5.034 1.583 ( 4.815 6.862 0.439) 8.394 1.969 ( 0.964 0.046 -1.027) 1.409 2.436 ( 3.252 9.288 0.104) 9.841 2.623 ( -4.333 -0.244 -2.004) 4.780 3.944 ( 9.669 6.240 1.453) 11.599 5.346 ( -1.873 7.514 -0.069) 7.744 5.628 ( 2.782 0.421 1.012) 2.991 5.973 ( 3.466 0.672 0.344) 3.547 6.298 ( -5.026 -3.670 -4.249) 7.535 6.430 ( -6.447 -3.536 1.643) 7.534 7.735 ( 1.980 -3.579 2.262) 4.674======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 0.000 9.697 9.748) 13.750 1.362 ( 0.000 3.775 4.789) 6.098 1.439 ( -0.000 10.013 -5.181) 11.274 1.767 ( -0.000 7.560 -2.307) 7.904 2.170 ( 0.000 17.143 11.353) 20.561 2.708 ( -0.000 3.488 -9.674) 10.284 4.954 ( -0.000 5.130 0.639) 5.170 5.893 ( -0.000 5.995 -1.046) 6.085 5.974 ( -0.000 10.258 -7.186) 12.524 5.991 ( 0.000 -3.801 -0.282) 3.812 7.571 ( 0.000 -13.473 6.723) 15.057 7.867 ( -0.000 -2.285 -8.038) 8.357======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( -2.120 7.689 1.884) 8.196 1.381 ( 0.087 2.865 0.615) 2.931 1.644 ( 7.066 12.694 3.002) 14.835 1.841 ( 1.734 6.030 -3.242) 7.063 2.396 ( 5.212 11.575 1.722) 12.811 2.812 ( 5.118 14.789 -1.771) 15.749 5.039 ( 3.098 6.496 0.459) 7.211 5.830 ( -2.906 -5.970 -0.995) 6.714 5.945 ( -0.927 -3.277 -0.220) 3.413 6.157 ( 5.177 11.092 -3.703) 12.789 7.406 ( -3.652 -17.369 5.798) 18.672 7.802 ( -3.410 0.560 -7.515) 8.271======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( 1.368 6.874 -0.408) 7.020 1.425 ( -0.347 5.066 2.414) 5.623 1.860 ( 3.021 5.232 2.979) 6.736 1.976 ( 7.786 12.497 -2.903) 15.008 2.556 ( 4.443 5.143 -2.134) 7.123 3.142 ( 11.619 19.178 1.115) 22.451 5.183 ( 4.596 8.389 0.517) 9.579 5.713 ( -3.728 -4.732 -0.525) 6.047 5.900 ( -0.899 -1.966 -0.501) 2.219 6.288 ( 3.292 2.307 -2.265) 4.614 7.147 ( -8.211 -16.456 2.548) 18.566 7.730 ( -2.842 -0.518 -3.350) 4.423======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 3.237 8.138 0.122) 8.759 1.478 ( -0.129 5.108 3.114) 5.983 1.922 ( 1.410 1.413 0.302) 2.019 2.258 ( 7.498 15.198 -0.222) 16.948 2.646 ( 2.488 2.381 -1.890) 3.928 3.530 ( 12.655 14.939 0.432) 19.583 5.346 ( 3.067 9.850 0.666) 10.338 5.623 ( -2.161 -2.518 0.571) 3.367 5.883 ( 0.815 -0.485 -0.661) 1.155 6.315 ( 0.909 -1.345 -2.761) 3.203 6.835 ( -11.442 -12.389 0.355) 16.868 7.679 ( -0.229 -3.480 0.424) 3.513======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( -0.946 6.117 0.475) 6.208 1.592 ( 3.610 7.254 2.393) 8.449 1.950 ( 0.977 0.257 -0.472) 1.115 2.475 ( 2.707 7.366 0.009) 7.847 2.698 ( -0.275 8.244 -1.693) 8.420 3.845 ( 10.173 8.303 0.610) 13.145 5.468 ( -0.669 10.134 0.651) 10.177 5.600 ( 0.731 -0.327 1.260) 1.493 5.916 ( 3.181 -0.046 -0.421) 3.209 6.294 ( -0.455 -1.688 -3.428) 3.848 6.543 ( -10.576 -7.000 0.698) 12.702 7.654 ( 2.055 -5.510 1.706) 6.124======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -0.000 1.038 -6.646) 6.727 1.376 ( -0.000 6.501 -1.595) 6.694 1.736 ( 0.000 14.659 3.896) 15.168 1.864 ( -0.000 3.830 -2.613) 4.636 2.467 ( -0.000 9.299 1.105) 9.364 2.950 ( -0.000 21.539 1.556) 21.595 5.073 ( -0.000 6.373 -0.011) 6.373 5.790 ( -0.000 -6.041 -2.081) 6.389 5.922 ( 0.000 -2.761 0.206) 2.769 6.211 ( -0.000 7.831 0.276) 7.836 7.267 ( 0.000 -19.363 4.611) 19.904 7.819 ( -0.000 1.092 -7.372) 7.452======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 1.148 3.763 -4.255) 5.795 1.445 ( 2.173 4.220 -4.535) 6.565 1.887 ( 0.523 4.039 1.001) 4.194 1.961 ( 7.141 13.242 -0.142) 15.045 2.561 ( 1.410 5.824 1.299) 6.132 3.220 ( 4.480 22.800 1.599) 23.291 5.176 ( 4.564 6.768 -0.189) 8.165 5.710 ( -1.884 -4.841 -2.178) 5.633 5.896 ( -0.646 -1.197 0.192) 1.374 6.278 ( 0.855 2.531 1.982) 3.326 7.064 ( -2.526 -19.096 2.691) 19.450 7.778 ( -3.410 0.535 -5.388) 6.399======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 4.673 5.626 -0.291) 7.320 1.510 ( 1.994 4.303 -3.562) 5.931 1.923 ( 0.554 1.657 0.284) 1.770 2.257 ( 9.751 14.276 0.169) 17.289 2.633 ( 1.845 2.956 1.005) 3.627 3.530 ( 6.744 18.522 0.421) 19.716 5.350 ( 6.839 7.731 -0.151) 10.323 5.632 ( -1.856 -2.711 -1.256) 3.518 5.880 ( -0.727 0.384 -0.008) 0.822 6.296 ( -0.177 -0.606 1.425) 1.559 6.832 ( -4.619 -16.019 0.853) 16.694 7.692 ( -4.283 -1.412 -2.390) 5.104======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 2.096 3.630 -0.000) 4.192 1.597 ( 4.287 7.425 -0.000) 8.574 1.942 ( 0.372 0.644 -0.000) 0.744 2.486 ( 2.727 4.724 -0.000) 5.454 2.748 ( 6.221 10.775 -0.000) 12.442 3.793 ( 6.375 11.043 -0.000) 12.751 5.529 ( 4.117 7.130 -0.000) 8.233 5.601 ( 0.369 0.638 -0.000) 0.737 5.882 ( 0.364 0.631 -0.000) 0.729 6.283 ( -0.423 -0.733 -0.000) 0.847 6.608 ( -6.056 -10.489 -0.000) 12.111 7.604 ( -2.214 -3.834 -0.000) 4.427======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -0.000 2.255 -4.319) 4.872 1.442 ( -0.000 4.435 -8.949) 9.987 1.913 ( -0.000 2.449 -0.217) 2.458 2.033 ( -0.000 13.434 1.920) 13.571 2.610 ( 0.000 3.862 3.357) 5.117 3.417 ( -0.000 22.610 0.973) 22.631 5.187 ( -0.000 4.985 -0.481) 5.009 5.674 ( -0.000 -3.687 -2.972) 4.735 5.901 ( 0.000 0.670 0.482) 0.826 6.303 ( 0.000 1.006 4.523) 4.633 6.897 ( 0.000 -19.342 1.294) 19.385 7.800 ( -0.000 0.586 -5.115) 5.148======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 4.346 3.192 -1.452) 5.584 1.488 ( 2.892 4.693 -7.326) 9.168 1.937 ( 0.015 1.847 0.562) 1.930 2.232 ( 7.530 12.401 0.690) 14.525 2.643 ( 0.171 0.688 3.243) 3.320 3.647 ( 2.158 18.960 -0.085) 19.083 5.286 ( 6.315 4.380 -0.476) 7.700 5.628 ( -1.056 -1.593 -2.449) 3.106 5.910 ( -0.858 2.328 0.318) 2.501 6.312 ( -0.874 -0.595 4.751) 4.868 6.708 ( -0.800 -17.199 -0.132) 17.218 7.755 ( -3.938 -0.079 -3.584) 5.325======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 2.696 -1.379) 3.028 1.492 ( -0.000 6.006 -5.138) 7.904 1.957 ( 0.000 1.561 1.048) 1.880 2.278 ( -0.000 10.377 0.620) 10.395 2.645 ( 0.000 -2.499 3.251) 4.101 3.804 ( -0.000 16.059 -0.966) 16.088 5.258 ( -0.000 2.496 -0.047) 2.497 5.625 ( -0.000 0.623 -2.153) 2.241 5.948 ( -0.000 3.496 -0.069) 3.496 6.327 ( 0.000 -1.850 5.959) 6.240 6.548 ( 0.000 -14.836 -1.916) 14.959 7.780 ( -0.000 0.004 -3.250) 3.250======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 0.000 -0.000 17.134) 17.134 0.943 ( 0.000 -0.000 17.134) 17.134 1.485 ( -0.000 0.000 -9.669) 9.669 1.485 ( -0.000 0.000 -9.669) 9.669 1.763 ( 0.000 -0.000 35.385) 35.385 2.949 ( -0.000 0.000 -23.817) 23.817 4.851 ( 0.000 -0.000 0.953) 0.953 4.851 ( 0.000 -0.000 0.953) 0.953 6.084 ( -0.000 0.000 -0.610) 0.610 6.084 ( -0.000 0.000 -0.610) 0.610 7.714 ( 0.000 -0.000 1.860) 1.860 8.106 ( -0.000 0.000 -0.702) 0.702======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 0.989 0.571 16.858) 16.897 1.181 ( 7.672 4.429 17.709) 19.801 1.467 ( 4.440 2.564 -12.248) 13.278 1.535 ( 4.343 2.508 -8.862) 10.183 1.939 ( 7.502 4.331 27.286) 28.628 2.755 ( -6.131 -3.540 -18.062) 19.400 4.880 ( 2.238 1.292 0.710) 2.680 5.330 ( 32.085 18.524 -7.719) 37.844 6.033 ( -4.116 -2.377 -0.583) 4.789 6.059 ( -2.044 -1.180 -0.587) 2.432 7.710 ( -0.981 -0.566 2.291) 2.556 7.996 ( -8.767 -5.062 -1.606) 10.250======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 4.569 2.638 13.370) 14.374 1.271 ( -1.761 -1.017 12.225) 12.393 1.638 ( 6.975 4.027 -7.160) 10.777 1.641 ( 10.254 5.920 -3.486) 12.343 2.257 ( 13.805 7.970 9.894) 18.762 2.688 ( 5.333 3.079 -10.330) 12.026 4.956 ( 4.199 2.424 0.513) 4.875 5.901 ( -3.317 -1.915 -0.242) 3.838 5.959 ( 19.024 10.984 -7.667) 23.267 5.996 ( -3.078 -1.777 -0.580) 3.602 7.653 ( -9.137 -5.275 7.358) 12.863 7.762 ( -5.962 -3.442 -7.056) 9.858======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 4.462 2.576 8.116) 9.613 1.280 ( 0.708 0.409 9.132) 9.168 1.815 ( 9.975 5.759 -4.230) 12.271 1.822 ( 5.681 3.280 0.474) 6.576 2.520 ( 8.271 4.775 -3.580) 10.200 2.969 ( 18.878 10.899 -0.605) 21.807 5.068 ( 5.276 3.046 0.480) 6.111 5.760 ( -6.113 -3.530 0.836) 7.108 5.929 ( -2.259 -1.304 -0.579) 2.672 6.271 ( 8.343 4.817 -5.989) 11.343 7.315 ( -17.687 -10.212 0.252) 20.425 7.733 ( 0.726 0.419 1.101) 1.384======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( 3.253 1.878 3.827) 5.362 1.364 ( 4.011 2.316 8.114) 9.343 1.914 ( 2.766 1.597 -0.319) 3.209 2.050 ( 10.922 6.306 -1.796) 12.739 2.643 ( 3.390 1.957 -3.870) 5.504 3.420 ( 19.171 11.068 0.257) 22.138 5.183 ( 4.346 2.509 0.418) 5.036 5.652 ( -3.403 -1.965 1.901) 4.365 5.905 ( 0.492 0.284 -0.416) 0.704 6.349 ( 1.238 0.715 -5.777) 5.951 6.905 ( -17.615 -10.170 -0.430) 20.345 7.761 ( 0.782 0.452 3.502) 3.616======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 0.000 6.361 16.814) 17.977 1.197 ( 0.000 10.374 11.427) 15.434 1.379 ( -0.000 -1.562 -9.950) 10.071 1.557 ( -0.000 9.769 -10.175) 14.105 2.009 ( 0.000 5.101 27.279) 27.752 2.700 ( -0.000 -5.971 -18.899) 19.820 4.880 ( 0.000 2.535 0.726) 2.637 5.306 ( -0.000 35.270 -5.612) 35.714 6.036 ( 0.000 -4.328 -0.788) 4.399 6.055 ( 0.000 -2.499 -0.354) 2.524 7.713 ( 0.000 -1.445 2.090) 2.541 7.996 ( 0.000 -9.579 -1.678) 9.725======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -1.963 6.829 11.876) 13.840 1.344 ( -1.563 1.429 3.649) 4.220 1.454 ( 11.465 6.609 -0.422) 13.240 1.651 ( 2.429 11.137 -8.209) 14.047 2.200 ( 6.631 8.538 14.914) 18.420 2.625 ( 1.707 2.733 -12.269) 12.686 4.935 ( 2.387 4.051 0.465) 4.724 5.773 ( 15.047 24.508 -4.811) 29.158 5.950 ( -3.521 -5.145 -0.940) 6.305 6.012 ( -1.573 -3.006 -0.411) 3.417 7.688 ( -1.299 -5.685 5.745) 8.187 7.821 ( -7.010 -7.949 -5.887) 12.124======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 1.372 4.454 6.447) 7.955 1.347 ( -1.540 3.643 4.837) 6.248 1.705 ( 9.531 8.609 -0.050) 12.844 1.792 ( 4.060 7.205 -2.521) 8.646 2.429 ( 7.403 6.629 -0.759) 9.966 2.810 ( 12.849 13.506 -1.787) 18.727 5.040 ( 3.821 5.917 0.373) 7.053 5.816 ( -4.981 -5.308 0.388) 7.289 5.947 ( -2.082 -2.618 -0.403) 3.369 6.160 ( 9.960 9.954 -3.918) 14.617 7.461 ( -12.431 -14.283 1.233) 18.975 7.726 ( -0.167 0.066 -0.825) 0.844======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 2.648 4.756 3.896) 6.694 1.395 ( 0.110 4.768 6.580) 8.127 1.885 ( 2.744 2.485 0.953) 3.823 1.972 ( 8.778 12.382 -2.251) 15.344 2.582 ( 5.131 3.674 -3.111) 7.036 3.229 ( 17.496 14.980 -0.340) 23.036 5.173 ( 3.421 7.327 0.477) 8.100 5.693 ( -3.921 -3.871 1.533) 5.719 5.900 ( -0.589 -1.237 -0.487) 1.453 6.305 ( 2.984 1.626 -4.060) 5.294 7.082 ( -15.617 -12.405 -1.104) 19.975 7.739 ( 1.656 -1.770 3.095) 3.931======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 0.000 4.756 8.647) 9.868 1.300 ( -0.000 1.284 -11.986) 12.055 1.487 ( 0.000 11.729 9.228) 14.924 1.715 ( -0.000 10.436 -8.155) 13.244 2.276 ( 0.000 9.424 10.374) 14.015 2.630 ( -0.000 9.190 -6.839) 11.456 4.958 ( -0.000 4.986 0.285) 4.995 5.889 ( -0.000 15.949 0.565) 15.959 5.926 ( -0.000 1.762 -3.576) 3.987 5.990 ( 0.000 -3.697 0.030) 3.697 7.632 ( 0.000 -13.244 6.802) 14.889 7.796 ( -0.000 -3.359 -7.779) 8.473======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( -0.707 3.394 -2.753) 4.427 1.372 ( 2.790 2.566 -1.670) 4.142 1.684 ( 5.927 12.776 4.714) 14.852 1.802 ( 1.947 6.993 -4.272) 8.423 2.415 ( 3.053 8.447 2.148) 9.235 2.803 ( 5.743 18.201 -0.189) 19.087 5.042 ( 3.186 6.367 0.046) 7.120 5.821 ( -2.556 -6.554 -0.837) 7.085 5.944 ( -1.103 -3.214 0.087) 3.399 6.141 ( 4.614 12.878 0.191) 13.681 7.450 ( -4.585 -18.349 3.582) 19.250 7.745 ( -1.995 0.885 -4.701) 5.182======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 3.087 5.347 -0.000) 6.174 1.436 ( 1.853 3.209 -0.000) 3.706 1.877 ( 1.814 3.142 -0.000) 3.628 1.959 ( 8.701 15.070 -0.000) 17.402 2.547 ( 3.359 5.818 -0.000) 6.718 3.147 ( 11.274 19.527 -0.000) 22.548 5.186 ( 4.793 8.303 -0.000) 9.587 5.711 ( -2.993 -5.184 -0.000) 5.986 5.898 ( -1.106 -1.915 -0.000) 2.212 6.278 ( 1.970 3.411 -0.000) 3.939 7.158 ( -9.396 -16.274 -0.000) 18.791 7.714 ( -0.714 -1.237 -0.000) 1.429======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( -0.000 2.830 -8.199) 8.674 1.346 ( -0.000 2.478 -5.277) 5.830 1.775 ( 0.000 13.091 4.568) 13.865 1.837 ( -0.000 5.515 -2.805) 6.188 2.488 ( 0.000 8.694 3.316) 9.305 2.962 ( -0.000 22.509 1.071) 22.534 5.071 ( -0.000 6.181 -0.275) 6.187 5.772 ( -0.000 -6.642 -1.745) 6.868 5.925 ( 0.000 -2.646 0.438) 2.682 6.228 ( 0.000 9.194 3.478) 9.830 7.302 ( 0.000 -20.378 2.941) 20.589 7.762 ( -0.000 1.434 -5.122) 5.319======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -0.000 13.563) 13.563 1.083 ( 0.000 -0.000 13.563) 13.563 1.396 ( -0.000 0.000 -9.812) 9.812 1.396 ( -0.000 0.000 -9.812) 9.812 2.061 ( 0.000 -0.000 30.059) 30.059 2.729 ( -0.000 0.000 -24.293) 24.293 4.857 ( 0.000 -0.000 0.535) 0.535 4.857 ( 0.000 -0.000 0.535) 0.535 6.080 ( -0.000 0.000 -0.344) 0.344 6.080 ( -0.000 0.000 -0.344) 0.344 7.727 ( 0.000 -0.000 1.060) 1.060 8.101 ( -0.000 0.000 -0.421) 0.421======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 0.828 0.478 15.246) 15.276 1.327 ( 11.832 6.831 12.487) 18.510 1.350 ( 1.244 0.718 -11.489) 11.578 1.449 ( 4.825 2.786 -10.172) 11.597 2.163 ( 2.750 1.588 20.629) 20.872 2.588 ( -3.084 -1.780 -17.114) 17.481 4.884 ( 2.198 1.269 0.249) 2.551 5.283 ( 29.906 17.266 -2.863) 34.651 6.030 ( -4.104 -2.370 -0.151) 4.741 6.055 ( -2.073 -1.197 -0.315) 2.414 7.725 ( -0.367 -0.212 0.966) 1.055 7.986 ( -9.527 -5.500 -0.625) 11.019======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( 2.833 1.636 13.274) 13.671 1.325 ( -0.586 -0.338 -0.887) 1.115 1.567 ( 8.268 4.774 -8.490) 12.777 1.646 ( 11.253 6.497 5.246) 14.013 2.319 ( 7.245 4.183 2.071) 8.618 2.614 ( 9.584 5.533 -4.363) 11.895 4.959 ( 4.231 2.443 0.129) 4.887 5.902 ( 14.394 8.310 -0.314) 16.623 5.911 ( 1.486 0.858 -2.147) 2.748 5.992 ( -3.125 -1.804 -0.340) 3.625 7.690 ( -14.102 -8.142 -4.910) 17.008 7.730 ( -0.783 -0.452 5.557) 5.630======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -0.000 3.429 -9.820) 10.401 1.214 ( 0.000 5.942 15.687) 16.774 1.361 ( 0.000 4.033 7.952) 8.916 1.454 ( -0.000 9.782 -12.666) 16.004 2.212 ( 0.000 1.354 13.913) 13.978 2.544 ( -0.000 -2.508 -11.516) 11.786 4.884 ( -0.000 2.521 0.266) 2.535 5.276 ( -0.000 33.938 -1.229) 33.960 6.031 ( 0.000 -4.600 -0.339) 4.613 6.053 ( 0.000 -2.443 -0.024) 2.443 7.726 ( 0.000 -0.533 0.667) 0.853 7.986 ( 0.000 -10.821 -0.603) 10.838======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 0.926 1.604 -0.000) 1.852 1.320 ( 1.647 2.853 0.000) 3.294 1.491 ( 4.386 7.596 -0.000) 8.772 1.595 ( 6.823 11.818 -0.000) 13.646 2.282 ( 2.827 4.896 -0.000) 5.653 2.555 ( 3.510 6.080 -0.000) 7.021 4.937 ( 2.346 4.063 -0.000) 4.692 5.751 ( 14.708 25.475 -0.000) 29.416 5.946 ( -3.328 -5.763 -0.000) 6.655 6.010 ( -1.720 -2.979 -0.000) 3.440 7.724 ( -0.038 -0.065 -0.000) 0.075 7.785 ( -8.036 -13.919 0.000) 16.072======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 2.32e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 0.000 -0.000 0.000) 0.000 1.158 ( 0.000 -0.000 0.000) 0.000 1.337 ( -0.000 0.000 -0.000) 0.000 1.337 ( -0.000 0.000 -0.000) 0.000 2.236 ( 0.000 -0.000 0.000) 0.000 2.580 ( -0.000 0.000 -0.000) 0.000 4.860 ( 0.000 -0.000 0.000) 0.000 4.860 ( 0.000 -0.000 0.000) 0.000 6.078 ( 0.000 -0.000 0.000) 0.000 6.078 ( 0.000 -0.000 0.000) 0.000 7.732 ( 0.000 -0.000 0.000) 0.000 8.099 ( 0.000 -0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 191.891 191.891 393.731 0.000 -0.000 -0.000 3/32928 20.0 62.333 62.333 67.063 0.000 -0.000 -0.000 3/32928 30.0 36.917 36.917 33.336 0.000 -0.000 -0.000 3/32928 40.0 26.391 26.391 21.632 0.000 -0.000 -0.000 3/32928 50.0 20.205 20.205 15.682 0.000 -0.000 -0.000 3/32928 60.0 16.128 16.128 12.132 0.000 -0.000 -0.000 3/32928 70.0 13.310 13.310 9.824 0.000 -0.000 -0.000 3/32928 80.0 11.289 11.289 8.230 0.000 -0.000 -0.000 3/32928 90.0 9.789 9.789 7.075 0.000 -0.000 -0.000 3/32928 100.0 8.639 8.639 6.204 0.000 -0.000 -0.000 3/32928 110.0 7.734 7.734 5.527 0.000 -0.000 -0.000 3/32928 120.0 7.003 7.003 4.985 0.000 -0.000 -0.000 3/32928 130.0 6.402 6.402 4.543 0.000 -0.000 -0.000 3/32928 140.0 5.898 5.898 4.175 0.000 -0.000 -0.000 3/32928 150.0 5.470 5.470 3.863 0.000 -0.000 -0.000 3/32928 160.0 5.101 5.101 3.596 0.000 -0.000 -0.000 3/32928 170.0 4.780 4.780 3.365 0.000 -0.000 -0.000 3/32928 180.0 4.498 4.498 3.162 0.000 -0.000 -0.000 3/32928 190.0 4.249 4.249 2.983 0.000 -0.000 -0.000 3/32928 200.0 4.026 4.026 2.823 0.000 -0.000 -0.000 3/32928 210.0 3.826 3.826 2.681 0.000 -0.000 -0.000 3/32928 220.0 3.645 3.645 2.552 0.000 -0.000 -0.000 3/32928 230.0 3.481 3.481 2.435 0.000 -0.000 -0.000 3/32928 240.0 3.331 3.331 2.329 0.000 -0.000 -0.000 3/32928 250.0 3.194 3.194 2.232 0.000 -0.000 -0.000 3/32928 260.0 3.068 3.068 2.142 0.000 -0.000 -0.000 3/32928 270.0 2.952 2.952 2.060 0.000 -0.000 -0.000 3/32928 280.0 2.844 2.844 1.984 0.000 -0.000 -0.000 3/32928 290.0 2.744 2.744 1.913 0.000 -0.000 -0.000 3/32928 300.0 2.651 2.651 1.848 0.000 -0.000 -0.000 3/32928 310.0 2.564 2.564 1.787 0.000 -0.000 -0.000 3/32928 320.0 2.483 2.483 1.729 0.000 -0.000 -0.000 3/32928 330.0 2.406 2.406 1.676 0.000 -0.000 -0.000 3/32928 340.0 2.335 2.335 1.625 0.000 -0.000 -0.000 3/32928 350.0 2.267 2.267 1.578 0.000 -0.000 -0.000 3/32928 360.0 2.204 2.204 1.533 0.000 -0.000 -0.000 3/32928 370.0 2.143 2.143 1.491 0.000 -0.000 -0.000 3/32928 380.0 2.086 2.086 1.451 0.000 -0.000 -0.000 3/32928 390.0 2.033 2.033 1.413 0.000 -0.000 -0.000 3/32928 400.0 1.981 1.981 1.377 0.000 -0.000 -0.000 3/32928 410.0 1.933 1.933 1.343 0.000 -0.000 -0.000 3/32928 420.0 1.886 1.886 1.311 0.000 -0.000 -0.000 3/32928 430.0 1.842 1.842 1.280 0.000 -0.000 -0.000 3/32928 440.0 1.800 1.800 1.250 0.000 -0.000 -0.000 3/32928 450.0 1.760 1.760 1.222 0.000 -0.000 -0.000 3/32928 460.0 1.721 1.721 1.196 0.000 -0.000 -0.000 3/32928 470.0 1.685 1.685 1.170 0.000 -0.000 -0.000 3/32928 480.0 1.649 1.649 1.145 0.000 -0.000 -0.000 3/32928 490.0 1.616 1.616 1.122 0.000 -0.000 -0.000 3/32928 500.0 1.583 1.583 1.099 0.000 -0.000 -0.000 3/32928 510.0 1.552 1.552 1.077 0.000 -0.000 -0.000 3/32928 520.0 1.522 1.522 1.056 0.000 -0.000 -0.000 3/32928 530.0 1.493 1.493 1.036 0.000 -0.000 -0.000 3/32928 540.0 1.466 1.466 1.017 0.000 -0.000 -0.000 3/32928 550.0 1.439 1.439 0.998 0.000 -0.000 -0.000 3/32928 560.0 1.413 1.413 0.980 0.000 -0.000 -0.000 3/32928 570.0 1.388 1.388 0.963 0.000 -0.000 -0.000 3/32928 580.0 1.364 1.364 0.946 0.000 -0.000 -0.000 3/32928 590.0 1.341 1.341 0.930 0.000 -0.000 -0.000 3/32928 600.0 1.319 1.319 0.915 0.000 -0.000 -0.000 3/32928 610.0 1.297 1.297 0.899 0.000 -0.000 -0.000 3/32928 620.0 1.276 1.276 0.885 0.000 -0.000 -0.000 3/32928 630.0 1.256 1.256 0.871 0.000 -0.000 -0.000 3/32928 640.0 1.236 1.236 0.857 0.000 -0.000 -0.000 3/32928 650.0 1.217 1.217 0.844 0.000 -0.000 -0.000 3/32928 660.0 1.199 1.199 0.831 0.000 -0.000 -0.000 3/32928 670.0 1.181 1.181 0.819 0.000 -0.000 -0.000 3/32928 680.0 1.164 1.164 0.806 0.000 -0.000 -0.000 3/32928 690.0 1.147 1.147 0.795 0.000 -0.000 -0.000 3/32928 700.0 1.130 1.130 0.783 0.000 -0.000 -0.000 3/32928 710.0 1.114 1.114 0.772 0.000 -0.000 -0.000 3/32928 720.0 1.099 1.099 0.762 0.000 -0.000 -0.000 3/32928 730.0 1.084 1.084 0.751 0.000 -0.000 -0.000 3/32928 740.0 1.069 1.069 0.741 0.000 -0.000 -0.000 3/32928 750.0 1.055 1.055 0.731 0.000 -0.000 -0.000 3/32928 760.0 1.041 1.041 0.721 0.000 -0.000 -0.000 3/32928 770.0 1.028 1.028 0.712 0.000 -0.000 -0.000 3/32928 780.0 1.014 1.014 0.703 0.000 -0.000 -0.000 3/32928 790.0 1.002 1.002 0.694 0.000 -0.000 -0.000 3/32928 800.0 0.989 0.989 0.685 0.000 -0.000 -0.000 3/32928 810.0 0.977 0.977 0.677 0.000 -0.000 -0.000 3/32928 820.0 0.965 0.965 0.668 0.000 -0.000 -0.000 3/32928 830.0 0.953 0.953 0.660 0.000 -0.000 -0.000 3/32928 840.0 0.942 0.942 0.652 0.000 -0.000 -0.000 3/32928 850.0 0.931 0.931 0.645 0.000 -0.000 -0.000 3/32928 860.0 0.920 0.920 0.637 0.000 -0.000 -0.000 3/32928 870.0 0.910 0.910 0.630 0.000 -0.000 -0.000 3/32928 880.0 0.899 0.899 0.623 0.000 -0.000 -0.000 3/32928 890.0 0.889 0.889 0.616 0.000 -0.000 -0.000 3/32928 900.0 0.879 0.879 0.609 0.000 -0.000 -0.000 3/32928 910.0 0.870 0.870 0.602 0.000 -0.000 -0.000 3/32928 920.0 0.860 0.860 0.596 0.000 -0.000 -0.000 3/32928 930.0 0.851 0.851 0.589 0.000 -0.000 -0.000 3/32928 940.0 0.842 0.842 0.583 0.000 -0.000 -0.000 3/32928 950.0 0.833 0.833 0.577 0.000 -0.000 -0.000 3/32928 960.0 0.824 0.824 0.571 0.000 -0.000 -0.000 3/32928 970.0 0.816 0.816 0.565 0.000 -0.000 -0.000 3/32928 980.0 0.808 0.808 0.559 0.000 -0.000 -0.000 3/32928 990.0 0.799 0.799 0.553 0.000 -0.000 -0.000 3/32928 1000.0 0.791 0.791 0.548 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:12:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|