# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/a37c1202-5ee7-4cb3-ad9f-27339ce38e6e/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 NdTlS2 / R-3m (166) / materials id 3664](https://mdr.nims.go.jp/datasets/84145519-bede-4ef4-8372-f2b2d7004973) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 19:42:03]-------------------------Compiled with OpenMP support (max 48 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 2.053316180484274 1.185482649534008 7.327649023333326 b -2.053316180484270 1.185482649534008 7.327649023333326 c 0.000000000000002 -2.370965299068019 7.327649023333326Atomic positions (fractional): *1 S 0.26370726559274 0.26370726559274 0.26370726559274 32.065 2 S 0.73629273440726 0.73629273440726 0.73629273440726 32.065 *3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 *4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.106632360968545 0.000000000000000 0.000000000000000 b -2.053316180484273 3.556447948602027 0.000000000000000 c 0.000000000000000 0.000000000000000 21.982947070000002Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.26370726559274 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.06962606774059 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.59704059892608 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.40295940107392 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.93037393225941 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.73629273440726 32.065 > 2 *7 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 3 8 Nd 0.66666666666667 0.33333333333333 0.33333333333333 144.242 > 3 9 Nd 0.33333333333333 0.66666666666667 0.66666666666667 144.242 > 3 *10 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 4 11 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 12 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.319897082905635 0.000000000000000 0.000000000000000 b -6.159948541452819 10.669343845806081 0.000000000000000 c 0.000000000000000 0.000000000000000 21.982947070000002Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.26370726559274 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26370726559274 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26370726559274 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26370726559274 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26370726559274 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26370726559274 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26370726559274 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26370726559274 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26370726559274 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06962606774059 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.06962606774059 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.06962606774059 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.06962606774059 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.06962606774059 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.06962606774059 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.06962606774059 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.06962606774059 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.06962606774059 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.59704059892608 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59704059892608 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59704059892608 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59704059892608 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59704059892608 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59704059892608 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59704059892608 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59704059892608 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59704059892608 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40295940107392 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.40295940107392 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.40295940107392 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.40295940107392 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.40295940107392 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.40295940107392 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.40295940107392 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.40295940107392 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.40295940107392 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.93037393225941 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93037393225941 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93037393225941 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93037393225941 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93037393225941 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93037393225941 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93037393225941 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93037393225941 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93037393225941 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73629273440726 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.73629273440726 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.73629273440726 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.73629273440726 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.73629273440726 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.73629273440726 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.73629273440726 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.73629273440726 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.73629273440726 32.065 > 2 *55 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 3 56 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 3 57 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 3 58 Nd 0.00000000000000 0.33333333333333 0.00000000000000 144.242 > 3 59 Nd 0.33333333333333 0.33333333333333 0.00000000000000 144.242 > 3 60 Nd 0.66666666666667 0.33333333333333 0.00000000000000 144.242 > 3 61 Nd 0.00000000000000 0.66666666666667 0.00000000000000 144.242 > 3 62 Nd 0.33333333333333 0.66666666666667 0.00000000000000 144.242 > 3 63 Nd 0.66666666666667 0.66666666666667 0.00000000000000 144.242 > 3 64 Nd 0.22222222222222 0.11111111111111 0.33333333333333 144.242 > 3 65 Nd 0.55555555555556 0.11111111111111 0.33333333333333 144.242 > 3 66 Nd 0.88888888888889 0.11111111111111 0.33333333333333 144.242 > 3 67 Nd 0.22222222222222 0.44444444444444 0.33333333333333 144.242 > 3 68 Nd 0.55555555555556 0.44444444444444 0.33333333333333 144.242 > 3 69 Nd 0.88888888888889 0.44444444444444 0.33333333333333 144.242 > 3 70 Nd 0.22222222222222 0.77777777777778 0.33333333333333 144.242 > 3 71 Nd 0.55555555555556 0.77777777777778 0.33333333333333 144.242 > 3 72 Nd 0.88888888888889 0.77777777777778 0.33333333333333 144.242 > 3 73 Nd 0.11111111111111 0.22222222222222 0.66666666666667 144.242 > 3 74 Nd 0.44444444444444 0.22222222222222 0.66666666666667 144.242 > 3 75 Nd 0.77777777777778 0.22222222222222 0.66666666666667 144.242 > 3 76 Nd 0.11111111111111 0.55555555555556 0.66666666666667 144.242 > 3 77 Nd 0.44444444444444 0.55555555555556 0.66666666666667 144.242 > 3 78 Nd 0.77777777777778 0.55555555555556 0.66666666666667 144.242 > 3 79 Nd 0.11111111111111 0.88888888888889 0.66666666666667 144.242 > 3 80 Nd 0.44444444444444 0.88888888888889 0.66666666666667 144.242 > 3 81 Nd 0.77777777777778 0.88888888888889 0.66666666666667 144.242 > 3 *82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 4 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 4 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 4 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 4 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 4 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 4 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 4 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 4 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 4 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 4 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 4 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 4 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 4 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 4 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 4 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 4 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 4 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 4 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 4 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 4 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 4 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 4 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 4 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 4 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 4 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.7762219 0.0000000 0.0000000 0.0000000 7.7762219 0.0000000 0.0000000 0.0000000 7.8885421-------------------------- Born effective charges -------------------------- 1 S -3.0825097 -0.0000000 0.0000000 0.0000000 -3.0825097 0.0000000 0.0000000 0.0000000 -2.9472955 2 S -3.0825097 -0.0000000 0.0000000 0.0000000 -3.0825097 0.0000000 0.0000000 0.0000000 -2.9472955 3 Nd 4.4560651 0.0000000 0.0000000 0.0000000 4.4560651 0.0000000 0.0000000 0.0000000 2.8455175 4 Tl 1.7089543 0.0000000 0.0000000 0.0000000 1.7089543 0.0000000 0.0000000 0.0000000 3.0490734----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.009Solver_block: 80 / 80 - Time: 0.089Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.099--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 19:42:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:42:06]-------------------------Compiled with OpenMP support (max 48 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 2.053316180484274 1.185482649534008 7.327649023333326 b -2.053316180484270 1.185482649534008 7.327649023333326 c 0.000000000000002 -2.370965299068019 7.327649023333326Atomic positions (fractional): 1 S 0.26370726559274 0.26370726559274 0.26370726559274 32.065 2 S 0.73629273440726 0.73629273440726 0.73629273440726 32.065 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383-------------------------------- supercell ---------------------------------Lattice vectors: a 12.319897082905635 0.000000000000000 0.000000000000000 b -6.159948541452819 10.669343845806081 0.000000000000000 c 0.000000000000000 0.000000000000000 21.982947070000002Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.26370726559274 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26370726559274 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26370726559274 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26370726559274 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26370726559274 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26370726559274 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26370726559274 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26370726559274 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26370726559274 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06962606774059 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.06962606774059 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.06962606774059 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.06962606774059 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.06962606774059 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.06962606774059 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.06962606774059 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.06962606774059 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.06962606774059 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.59704059892608 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59704059892608 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59704059892608 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59704059892608 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59704059892608 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59704059892608 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59704059892608 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59704059892608 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59704059892608 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40295940107392 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.40295940107392 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.40295940107392 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.40295940107392 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.40295940107392 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.40295940107392 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.40295940107392 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.40295940107392 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.40295940107392 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.93037393225941 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93037393225941 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93037393225941 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93037393225941 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93037393225941 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93037393225941 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93037393225941 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93037393225941 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93037393225941 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73629273440726 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.73629273440726 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.73629273440726 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.73629273440726 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.73629273440726 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.73629273440726 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.73629273440726 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.73629273440726 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.73629273440726 32.065 > 10 55 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 55 56 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 55 57 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 55 58 Nd 0.00000000000000 0.33333333333333 0.00000000000000 144.242 > 55 59 Nd 0.33333333333333 0.33333333333333 0.00000000000000 144.242 > 55 60 Nd 0.66666666666667 0.33333333333333 0.00000000000000 144.242 > 55 61 Nd 0.00000000000000 0.66666666666667 0.00000000000000 144.242 > 55 62 Nd 0.33333333333333 0.66666666666667 0.00000000000000 144.242 > 55 63 Nd 0.66666666666667 0.66666666666667 0.00000000000000 144.242 > 55 64 Nd 0.22222222222222 0.11111111111111 0.33333333333333 144.242 > 55 65 Nd 0.55555555555556 0.11111111111111 0.33333333333333 144.242 > 55 66 Nd 0.88888888888889 0.11111111111111 0.33333333333333 144.242 > 55 67 Nd 0.22222222222222 0.44444444444444 0.33333333333333 144.242 > 55 68 Nd 0.55555555555556 0.44444444444444 0.33333333333333 144.242 > 55 69 Nd 0.88888888888889 0.44444444444444 0.33333333333333 144.242 > 55 70 Nd 0.22222222222222 0.77777777777778 0.33333333333333 144.242 > 55 71 Nd 0.55555555555556 0.77777777777778 0.33333333333333 144.242 > 55 72 Nd 0.88888888888889 0.77777777777778 0.33333333333333 144.242 > 55 73 Nd 0.11111111111111 0.22222222222222 0.66666666666667 144.242 > 55 74 Nd 0.44444444444444 0.22222222222222 0.66666666666667 144.242 > 55 75 Nd 0.77777777777778 0.22222222222222 0.66666666666667 144.242 > 55 76 Nd 0.11111111111111 0.55555555555556 0.66666666666667 144.242 > 55 77 Nd 0.44444444444444 0.55555555555556 0.66666666666667 144.242 > 55 78 Nd 0.77777777777778 0.55555555555556 0.66666666666667 144.242 > 55 79 Nd 0.11111111111111 0.88888888888889 0.66666666666667 144.242 > 55 80 Nd 0.44444444444444 0.88888888888889 0.66666666666667 144.242 > 55 81 Nd 0.77777777777778 0.88888888888889 0.66666666666667 144.242 > 55 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.7762219 0.0000000 0.0000000 0.0000000 7.7762219 0.0000000 0.0000000 0.0000000 7.8885421-------------------------- Born effective charges -------------------------- 1 S -3.0825097 -0.0000000 0.0000000 0.0000000 -3.0825097 0.0000000 0.0000000 0.0000000 -2.9472955 2 S -3.0825097 -0.0000000 0.0000000 0.0000000 -3.0825097 0.0000000 0.0000000 0.0000000 -2.9472955 3 Nd 4.4560651 0.0000000 0.0000000 0.0000000 4.4560651 0.0000000 0.0000000 0.0000000 2.8455175 4 Tl 1.7089543 0.0000000 0.0000000 0.0000000 1.7089543 0.0000000 0.0000000 0.0000000 3.0490734----------------------------------------------------------------------------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 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 19:42:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:42:10]-------------------------Compiled with OpenMP support (max 48 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 2.053316180484274 1.185482649534008 7.327649023333326 b -2.053316180484270 1.185482649534008 7.327649023333326 c 0.000000000000002 -2.370965299068019 7.327649023333326Atomic positions (fractional): 1 S 0.26370726559274 0.26370726559274 0.26370726559274 32.065 2 S 0.73629273440726 0.73629273440726 0.73629273440726 32.065 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383-------------------------------- supercell ---------------------------------Lattice vectors: a 12.319897082905635 0.000000000000000 0.000000000000000 b -6.159948541452819 10.669343845806081 0.000000000000000 c 0.000000000000000 0.000000000000000 21.982947070000002Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.26370726559274 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.26370726559274 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.26370726559274 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.26370726559274 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.26370726559274 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.26370726559274 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.26370726559274 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.26370726559274 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.26370726559274 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.06962606774059 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.06962606774059 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.06962606774059 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.06962606774059 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.06962606774059 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.06962606774059 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.06962606774059 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.06962606774059 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.06962606774059 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.59704059892608 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.59704059892608 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.59704059892608 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.59704059892608 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.59704059892608 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.59704059892608 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.59704059892608 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.59704059892608 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.59704059892608 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.40295940107392 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.40295940107392 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.40295940107392 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.40295940107392 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.40295940107392 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.40295940107392 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.40295940107392 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.40295940107392 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.40295940107392 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.93037393225941 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.93037393225941 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.93037393225941 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.93037393225941 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.93037393225941 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.93037393225941 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.93037393225941 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.93037393225941 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.93037393225941 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.73629273440726 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.73629273440726 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.73629273440726 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.73629273440726 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.73629273440726 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.73629273440726 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.73629273440726 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.73629273440726 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.73629273440726 32.065 > 10 55 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 55 56 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 55 57 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 55 58 Nd 0.00000000000000 0.33333333333333 0.00000000000000 144.242 > 55 59 Nd 0.33333333333333 0.33333333333333 0.00000000000000 144.242 > 55 60 Nd 0.66666666666667 0.33333333333333 0.00000000000000 144.242 > 55 61 Nd 0.00000000000000 0.66666666666667 0.00000000000000 144.242 > 55 62 Nd 0.33333333333333 0.66666666666667 0.00000000000000 144.242 > 55 63 Nd 0.66666666666667 0.66666666666667 0.00000000000000 144.242 > 55 64 Nd 0.22222222222222 0.11111111111111 0.33333333333333 144.242 > 55 65 Nd 0.55555555555556 0.11111111111111 0.33333333333333 144.242 > 55 66 Nd 0.88888888888889 0.11111111111111 0.33333333333333 144.242 > 55 67 Nd 0.22222222222222 0.44444444444444 0.33333333333333 144.242 > 55 68 Nd 0.55555555555556 0.44444444444444 0.33333333333333 144.242 > 55 69 Nd 0.88888888888889 0.44444444444444 0.33333333333333 144.242 > 55 70 Nd 0.22222222222222 0.77777777777778 0.33333333333333 144.242 > 55 71 Nd 0.55555555555556 0.77777777777778 0.33333333333333 144.242 > 55 72 Nd 0.88888888888889 0.77777777777778 0.33333333333333 144.242 > 55 73 Nd 0.11111111111111 0.22222222222222 0.66666666666667 144.242 > 55 74 Nd 0.44444444444444 0.22222222222222 0.66666666666667 144.242 > 55 75 Nd 0.77777777777778 0.22222222222222 0.66666666666667 144.242 > 55 76 Nd 0.11111111111111 0.55555555555556 0.66666666666667 144.242 > 55 77 Nd 0.44444444444444 0.55555555555556 0.66666666666667 144.242 > 55 78 Nd 0.77777777777778 0.55555555555556 0.66666666666667 144.242 > 55 79 Nd 0.11111111111111 0.88888888888889 0.66666666666667 144.242 > 55 80 Nd 0.44444444444444 0.88888888888889 0.66666666666667 144.242 > 55 81 Nd 0.77777777777778 0.88888888888889 0.66666666666667 144.242 > 55 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.7762219 0.0000000 0.0000000 0.0000000 7.7762219 0.0000000 0.0000000 0.0000000 7.8885421-------------------------- Born effective charges -------------------------- 1 S -3.0825097 -0.0000000 0.0000000 0.0000000 -3.0825097 0.0000000 0.0000000 0.0000000 -2.9472955 2 S -3.0825097 -0.0000000 0.0000000 0.0000000 -3.0825097 0.0000000 0.0000000 0.0000000 -2.9472955 3 Nd 4.4560651 0.0000000 0.0000000 0.0000000 4.4560651 0.0000000 0.0000000 0.0000000 2.8455175 4 Tl 1.7089543 0.0000000 0.0000000 0.0000000 1.7089543 0.0000000 0.0000000 0.0000000 3.0490734----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.87, Number of G-points: 313, Lambda: 0.25Running 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 2.32e-04 2.00e-05 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 1.389 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 7.600 ( 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.324 ( 15.069 8.700 -8.367) 19.307 0.358 ( 16.159 9.329 -12.189) 22.287 0.733 ( 24.600 14.203 16.200) 32.701 1.420 ( 2.973 1.717 -1.168) 3.626 1.571 ( 11.313 6.532 -0.656) 13.080 2.319 ( 2.020 1.166 9.095) 9.389 5.114 ( 2.053 1.185 -0.669) 2.463 5.964 ( 0.850 0.491 -7.081) 7.148 6.316 ( -2.003 -1.157 -4.340) 4.918 6.325 ( -1.973 -1.139 1.223) 2.586 7.497 ( -8.318 -4.802 2.440) 9.910 8.099 ( 1.349 0.779 -2.672) 3.093======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( 13.141 7.587 -5.521) 16.147 0.655 ( 12.474 7.202 -10.150) 17.620 1.158 ( 9.452 5.457 8.200) 13.651 1.527 ( 6.974 4.026 -2.392) 8.400 2.016 ( 25.112 14.499 3.172) 29.170 2.407 ( 3.710 2.142 -0.158) 4.287 5.179 ( 3.821 2.206 -1.741) 4.743 5.950 ( -1.731 -0.999 -0.030) 1.999 6.236 ( -2.439 -1.408 -7.763) 8.258 6.267 ( -3.391 -1.958 2.276) 4.529 7.274 ( -11.319 -6.535 5.211) 14.070 8.096 ( -0.935 -0.540 -4.062) 4.203======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 8.894 5.135 -7.901) 12.958 0.877 ( 8.711 5.029 -2.723) 10.421 1.313 ( 3.552 2.051 2.709) 4.915 1.735 ( 11.660 6.732 -3.129) 13.823 2.443 ( 1.664 0.961 -3.208) 3.740 2.664 ( 26.412 15.249 1.078) 30.517 5.275 ( 5.014 2.895 -3.286) 6.657 5.834 ( -7.710 -4.451 -5.283) 10.352 6.190 ( -3.890 -2.246 3.157) 5.490 6.210 ( 2.080 1.201 -2.624) 3.557 7.024 ( -11.871 -6.854 6.734) 15.272 8.027 ( -3.591 -2.073 -5.452) 6.849======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( 4.655 2.687 -1.270) 5.523 1.027 ( 6.447 3.722 -5.164) 9.060 1.368 ( 1.545 0.892 -1.972) 2.658 2.025 ( 13.416 7.746 -2.755) 15.735 2.413 ( -2.742 -1.583 -2.469) 4.015 3.260 ( 24.000 13.856 -0.940) 27.729 5.383 ( 5.290 3.054 -4.877) 7.816 5.603 ( -9.070 -5.237 -9.308) 14.012 6.115 ( -3.405 -1.966 3.913) 5.547 6.283 ( 3.322 1.918 2.239) 4.442 6.766 ( -11.848 -6.841 4.536) 14.414 7.905 ( -4.933 -2.848 -6.028) 8.293======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 2.368 1.367 -0.665) 2.814 1.132 ( 2.989 1.726 -1.527) 3.774 1.409 ( 4.182 2.415 -5.561) 7.365 2.308 ( 11.024 6.365 -1.862) 12.865 2.314 ( -5.448 -3.145 1.334) 6.431 3.748 ( 18.117 10.460 -1.861) 21.003 5.392 ( -5.929 -3.423 -8.888) 11.219 5.480 ( 4.315 2.491 -5.497) 7.419 6.063 ( -2.177 -1.257 4.153) 4.854 6.317 ( -4.063 -2.346 5.969) 7.592 6.542 ( -5.366 -3.098 -1.677) 6.419 7.774 ( -4.482 -2.587 -5.091) 7.259======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 1.028 0.593 -0.302) 1.224 1.150 ( -0.421 -0.243 -0.683) 0.838 1.542 ( 7.645 4.414 -4.225) 9.786 2.179 ( -6.438 -3.717 3.291) 8.130 2.505 ( 6.057 3.497 -0.923) 7.055 4.072 ( 9.843 5.683 -1.216) 11.431 5.283 ( -1.532 -0.884 -5.657) 5.927 5.542 ( 2.292 1.323 -3.831) 4.656 6.040 ( -0.843 -0.486 2.873) 3.033 6.137 ( -9.000 -5.196 2.805) 10.764 6.522 ( 1.243 0.718 -1.253) 1.905 7.677 ( -2.614 -1.509 -2.843) 4.146======================= 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 2.32e-04 2.00e-05 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.649 ( -0.000 -0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 -0.000) 0.000 7.641 ( 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( -0.000 15.769 14.524) 21.438 0.456 ( -0.000 20.632 0.257) 20.633 0.667 ( -0.000 26.785 9.237) 28.333 1.431 ( -0.000 4.078 0.953) 4.188 1.557 ( 0.000 13.016 -3.389) 13.450 2.365 ( -0.000 -2.087 16.421) 16.553 5.127 ( -0.000 2.929 2.032) 3.565 5.900 ( 0.000 4.521 -18.079) 18.636 6.308 ( 0.000 -3.019 -2.288) 3.788 6.338 ( 0.000 -0.959 0.089) 0.963 7.502 ( -0.000 -10.195 3.109) 10.658 8.088 ( 0.000 2.121 -4.365) 4.852======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( -2.106 14.000 9.758) 17.194 0.720 ( 3.227 18.347 -6.675) 19.788 1.080 ( 10.919 10.011 9.842) 17.785 1.506 ( 2.226 7.484 -0.105) 7.808 1.853 ( 14.911 21.682 0.628) 26.322 2.402 ( 0.443 2.524 3.980) 4.734 5.170 ( 0.506 4.257 1.104) 4.427 5.928 ( 3.057 0.466 -6.015) 6.763 6.228 ( -3.173 -3.969 -5.310) 7.350 6.307 ( -2.062 -1.624 0.316) 2.644 7.345 ( -5.464 -12.267 4.473) 14.155 8.092 ( -0.308 0.687 -4.704) 4.764======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 7.108 8.094 2.007) 10.957 0.906 ( 2.846 11.832 -4.608) 13.013 1.284 ( 4.251 3.240 4.237) 6.821 1.667 ( 5.976 11.128 -1.416) 12.711 2.417 ( 12.094 16.124 1.390) 20.204 2.449 ( 9.924 8.908 -2.432) 13.556 5.242 ( 2.239 5.052 -0.611) 5.559 5.911 ( -5.158 -2.069 -3.015) 6.323 6.142 ( 1.726 -2.644 -5.092) 5.991 6.245 ( -2.892 -1.738 0.598) 3.426 7.122 ( -7.551 -12.154 5.906) 15.480 8.046 ( -2.767 -1.331 -5.426) 6.235======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( 7.714 4.569 -1.651) 9.116 1.029 ( 2.182 6.679 -2.529) 7.468 1.355 ( 1.035 1.246 0.051) 1.621 1.924 ( 9.516 13.434 -1.878) 16.569 2.417 ( -1.238 -1.353 -3.596) 4.037 3.032 ( 21.182 20.196 -0.261) 29.268 5.340 ( 3.124 5.751 -2.731) 7.091 5.710 ( -10.603 -3.030 -7.301) 13.226 6.144 ( -1.298 -3.661 3.272) 5.079 6.233 ( 3.989 1.358 -1.245) 4.394 6.879 ( -9.023 -11.266 5.066) 15.297 7.939 ( -4.626 -2.816 -6.059) 8.127======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 5.912 3.065 -1.529) 6.832 1.107 ( 1.787 3.480 -1.288) 4.119 1.367 ( 0.766 1.184 -3.939) 4.183 2.217 ( 8.349 10.924 -1.600) 13.842 2.358 ( -1.724 -1.112 -0.436) 2.098 3.551 ( 17.963 15.093 -1.297) 23.497 5.425 ( 0.023 2.872 -6.273) 6.899 5.500 ( -6.690 2.399 -5.907) 9.241 6.082 ( -2.162 -4.068 4.141) 6.194 6.330 ( 4.055 1.356 1.640) 4.579 6.618 ( -9.717 -9.185 1.216) 13.426 7.805 ( -4.553 -3.357 -5.555) 7.928======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 1.521 2.216 -0.503) 2.734 1.148 ( 0.537 0.441 -0.572) 0.900 1.431 ( 6.423 3.254 -5.196) 8.879 2.226 ( -3.577 -5.876 2.809) 7.431 2.503 ( 4.237 13.343 -1.431) 14.073 3.937 ( 12.692 8.562 -0.884) 15.336 5.324 ( -4.674 1.582 -5.634) 7.489 5.539 ( 0.935 6.697 -4.877) 8.337 6.008 ( -1.913 -7.207 4.074) 8.497 6.320 ( -9.403 0.173 3.802) 10.145 6.467 ( 2.890 -2.757 -3.045) 5.022 7.693 ( -2.783 -2.801 -3.447) 5.242======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( -0.195 -0.154 -0.333) 0.415 1.157 ( -0.296 1.778 -0.229) 1.817 1.576 ( 6.950 1.197 -3.440) 7.847 2.107 ( -3.699 -4.600 2.289) 6.331 2.648 ( -1.675 10.943 -0.940) 11.110 4.146 ( 5.215 1.826 0.006) 5.525 5.294 ( -1.381 3.904 -0.806) 4.219 5.594 ( -0.540 6.151 -3.504) 7.100 5.902 ( -0.099 -9.620 2.301) 9.892 6.205 ( -6.756 5.578 0.714) 8.790 6.499 ( 2.804 -2.219 -0.888) 3.685 7.638 ( -0.306 -1.390 -0.294) 1.453======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 0.484 0.238 0.525) 0.753 1.159 ( -1.220 1.231 0.058) 1.734 1.597 ( -2.438 -4.658 0.770) 5.314 2.083 ( 4.343 -0.031 -2.567) 5.045 2.652 ( -8.112 7.163 -0.079) 10.822 4.150 ( -3.843 -3.630 0.850) 5.354 5.321 ( -0.842 3.887 4.728) 6.178 5.614 ( -3.161 4.811 0.356) 5.768 5.890 ( 7.089 -5.499 0.113) 8.973 6.190 ( -2.498 8.017 -2.249) 8.693 6.503 ( 1.146 -3.307 -0.008) 3.500 7.653 ( 2.225 0.276 2.849) 3.625======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -2.467 -0.127 0.427) 2.507 1.154 ( -0.572 -0.327 0.766) 1.010 1.476 ( -4.869 -4.141 3.927) 7.502 2.195 ( 7.986 0.304 -3.504) 8.726 2.514 ( -13.240 2.945 0.863) 13.591 3.949 ( -13.380 -6.926 1.662) 15.158 5.394 ( 2.185 5.003 8.669) 10.245 5.581 ( -5.421 2.378 3.498) 6.876 5.976 ( 6.043 -2.155 -2.257) 6.801 6.271 ( 3.248 7.436 -5.922) 10.046 6.488 ( 2.031 -3.176 1.151) 3.941 7.735 ( 4.364 1.637 5.014) 6.846======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -4.684 -3.546 1.750) 6.130 1.120 ( -3.116 -0.280 1.346) 3.406 1.404 ( -2.427 -1.079 3.455) 4.358 2.231 ( -11.888 -2.034 1.106) 12.111 2.361 ( 2.658 1.215 0.184) 2.928 3.566 ( -22.225 -8.287 1.609) 23.774 5.484 ( -5.795 -0.173 5.421) 7.937 5.572 ( 4.853 7.008 8.947) 12.358 6.042 ( 4.525 -0.224 -4.007) 6.048 6.301 ( -1.897 -0.755 -4.182) 4.654 6.600 ( 10.764 2.609 -2.497) 11.354 7.860 ( 5.430 2.308 5.561) 8.108======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( -7.172 -6.434 3.315) 10.189 1.053 ( -5.613 0.768 2.348) 6.133 1.356 ( -3.464 -0.851 0.300) 3.579 1.945 ( -15.920 -2.392 2.241) 16.254 2.445 ( 2.890 0.245 2.137) 3.603 3.035 ( -28.989 -8.344 0.290) 30.167 5.369 ( -6.960 -1.302 3.233) 7.784 5.786 ( 6.698 6.555 7.941) 12.284 6.107 ( 4.762 -0.520 -4.190) 6.364 6.235 ( -1.885 -1.383 -0.709) 2.443 6.829 ( 13.090 2.840 -5.027) 14.307 7.991 ( 4.840 1.996 4.449) 6.871======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( -10.500 -7.290 3.384) 13.223 0.948 ( -9.499 1.936 3.665) 10.364 1.250 ( -7.369 -1.773 -2.401) 7.950 1.682 ( -12.477 -1.071 1.746) 12.644 2.404 ( -27.619 -3.882 -0.920) 27.905 2.467 ( -7.044 -2.864 1.173) 7.694 5.252 ( -5.705 -1.065 1.516) 5.998 5.931 ( 2.172 2.592 1.055) 3.542 6.171 ( 5.250 -1.227 0.228) 5.397 6.243 ( 2.308 1.280 0.873) 2.780 7.076 ( 13.933 2.059 -3.436) 14.498 8.085 ( 2.718 0.904 2.371) 3.718======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.450 ( -12.829 -0.000 0.000) 12.829 0.761 ( -15.478 -0.000 0.000) 15.478 1.022 ( -17.574 -0.000 0.000) 17.574 1.506 ( -7.510 -0.000 0.000) 7.510 1.851 ( -25.668 -0.000 0.000) 25.668 2.380 ( -5.455 -0.000 0.000) 5.455 5.165 ( -4.022 -0.000 0.000) 4.022 5.959 ( 0.807 0.000 -0.000) 0.807 6.260 ( 4.747 0.000 -0.000) 4.747 6.301 ( 2.582 0.000 -0.000) 2.582 7.321 ( 13.095 0.000 -0.000) 13.095 8.116 ( 0.016 0.000 -0.000) 0.016======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.790 ( -0.000 10.616 8.805) 13.792 0.806 ( -0.000 13.808 0.385) 13.813 1.121 ( -0.000 12.546 8.148) 14.960 1.576 ( -0.000 9.480 2.437) 9.788 1.971 ( -0.000 29.315 -1.584) 29.358 2.442 ( -0.000 2.797 2.894) 4.025 5.231 ( -0.000 5.482 3.280) 6.388 5.876 ( 0.000 1.562 -6.786) 6.964 6.204 ( 0.000 -4.992 -3.818) 6.284 6.303 ( 0.000 -2.477 -0.976) 2.663 7.257 ( 0.000 -15.844 3.506) 16.227 8.088 ( 0.000 0.645 -4.647) 4.691======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( -4.926 10.807 7.900) 14.265 0.965 ( 1.786 9.208 -1.560) 9.508 1.274 ( 2.773 5.585 4.693) 7.805 1.717 ( 2.732 12.644 1.604) 13.034 2.394 ( 11.461 27.597 -0.270) 29.884 2.465 ( -0.369 4.962 -1.297) 5.143 5.294 ( -0.442 6.613 2.455) 7.067 5.910 ( 2.547 0.705 -2.633) 3.731 6.103 ( -3.169 -4.525 -5.193) 7.582 6.257 ( -1.321 -3.140 -1.292) 3.644 7.078 ( -2.587 -16.534 3.666) 17.132 8.060 ( -1.807 -0.822 -4.674) 5.078======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.902 ( -0.402 8.758 4.554) 9.879 1.059 ( 1.092 5.811 -1.164) 6.026 1.354 ( 1.012 2.235 0.704) 2.553 1.938 ( 6.016 15.371 0.446) 16.512 2.421 ( -2.108 -1.168 -3.018) 3.862 2.942 ( 15.475 26.396 -0.635) 30.604 5.373 ( 0.723 7.557 0.568) 7.613 5.839 ( -8.503 -1.733 -4.870) 9.951 6.082 ( 4.627 -1.715 0.226) 4.939 6.199 ( -0.662 -2.294 -2.163) 3.222 6.870 ( -3.950 -15.558 3.328) 16.393 7.973 ( -4.362 -2.386 -5.288) 7.258======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 2.510 6.564 1.656) 7.220 1.118 ( 0.755 3.299 -0.417) 3.410 1.368 ( -0.416 1.067 -2.728) 2.958 2.205 ( 5.961 10.922 -1.029) 12.485 2.375 ( -0.137 2.474 0.791) 2.601 3.435 ( 14.530 19.614 -1.305) 24.445 5.458 ( 0.099 6.868 -2.955) 7.477 5.651 ( -9.288 1.802 -4.195) 10.349 6.087 ( -1.561 -4.257 3.880) 5.968 6.237 ( 6.275 0.131 -2.514) 6.761 6.653 ( -5.402 -12.682 1.779) 13.899 7.837 ( -5.385 -3.444 -5.965) 8.743======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 2.712 4.873 0.627) 5.612 1.147 ( 0.081 0.894 -0.179) 0.915 1.376 ( 1.768 2.419 -3.919) 4.933 2.222 ( -1.782 -5.436 2.575) 6.274 2.583 ( 5.187 18.227 0.257) 18.952 3.819 ( 11.669 11.441 -0.598) 16.353 5.429 ( -6.057 3.680 -5.505) 8.974 5.608 ( -1.493 7.680 -2.096) 8.100 6.005 ( -3.664 -5.603 3.807) 7.702 6.336 ( 6.171 -2.295 -2.250) 6.958 6.461 ( -5.982 -4.972 1.511) 7.924 7.699 ( -3.656 -3.672 -5.371) 7.463======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -0.386 -0.351 -0.538) 0.749 1.187 ( 0.014 3.590 0.003) 3.590 1.464 ( 5.784 2.340 -2.969) 6.910 2.127 ( -3.413 -5.787 3.702) 7.671 2.816 ( -0.341 18.074 -0.632) 18.089 4.059 ( 7.305 3.251 0.554) 8.015 5.382 ( -3.269 6.311 -1.834) 7.340 5.652 ( -0.020 4.735 -3.740) 6.034 5.877 ( -5.224 -5.160 3.841) 8.287 6.329 ( -1.416 -2.112 -2.086) 3.288 6.424 ( 1.114 0.828 0.920) 1.666 7.617 ( -0.290 -2.785 -2.545) 3.784======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.476 0.019 0.093) 0.485 1.205 ( -1.571 2.914 0.049) 3.311 1.547 ( 3.029 -2.106 -1.960) 4.178 2.037 ( -1.247 -3.156 0.544) 3.437 2.908 ( -8.153 14.707 -0.634) 16.828 4.140 ( 1.451 -2.735 0.984) 3.249 5.407 ( -1.927 5.902 1.670) 6.429 5.701 ( 4.180 2.129 -2.423) 5.280 5.783 ( -4.228 0.362 4.348) 6.075 6.297 ( -2.184 2.912 -1.879) 4.096 6.436 ( 1.190 -2.680 -1.119) 3.138 7.617 ( 2.565 -1.054 1.385) 3.100======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 0.570 0.164 0.573) 0.825 1.190 ( -2.997 1.543 0.250) 3.380 1.506 ( -2.343 -4.370 0.799) 5.022 2.053 ( 5.578 -0.768 -3.151) 6.452 2.822 ( -14.835 8.717 -0.028) 17.206 4.064 ( -5.980 -5.069 1.054) 7.909 5.450 ( 0.516 4.748 4.741) 6.729 5.731 ( -6.195 4.527 2.211) 7.985 5.834 ( 7.694 0.586 1.423) 7.846 6.301 ( -0.411 5.085 -4.914) 7.083 6.411 ( 1.470 -5.473 -0.340) 5.677 7.686 ( 4.403 0.571 4.001) 5.976======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -5.111 -1.145 0.686) 5.283 1.153 ( -0.907 -0.009 0.439) 1.008 1.440 ( -1.859 -1.527 2.223) 3.276 2.168 ( 8.640 -0.517 -2.437) 8.992 2.587 ( -18.112 2.957 0.605) 18.362 3.836 ( -15.008 -4.731 1.076) 15.773 5.563 ( 3.219 5.428 7.527) 9.822 5.655 ( -6.450 2.470 2.088) 7.216 5.946 ( 4.301 0.260 -1.209) 4.475 6.312 ( -1.463 -0.013 -5.027) 5.236 6.440 ( 7.846 -0.897 -0.529) 7.915 7.799 ( 5.624 1.348 4.221) 7.160======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( -6.989 -2.071 1.132) 7.377 1.126 ( -2.418 0.088 0.425) 2.456 1.407 ( -2.333 -0.221 1.044) 2.565 2.218 ( -12.258 -0.157 0.332) 12.264 2.372 ( 1.706 0.030 0.293) 1.732 3.455 ( -24.343 -3.104 0.597) 24.548 5.509 ( -8.625 0.098 1.997) 8.854 5.765 ( 6.498 5.574 6.424) 10.704 5.998 ( 4.008 -1.541 -3.845) 5.764 6.253 ( -2.242 -1.318 -1.416) 2.961 6.616 ( 11.739 0.722 -2.046) 11.938 7.925 ( 5.863 1.055 2.512) 6.465======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( -9.437 -0.000 0.000) 9.437 1.071 ( -4.318 -0.000 0.000) 4.318 1.347 ( -4.705 -0.000 0.000) 4.705 1.933 ( -16.292 -0.000 0.000) 16.292 2.454 ( 3.221 0.000 -0.000) 3.221 2.949 ( -31.288 -0.000 0.000) 31.288 5.366 ( -7.696 -0.000 0.000) 7.696 5.909 ( 3.931 0.000 -0.000) 3.931 6.059 ( 5.663 0.000 -0.000) 5.663 6.223 ( 0.109 0.000 -0.000) 0.109 6.837 ( 13.515 0.000 -0.000) 13.515 8.029 ( 4.746 0.000 -0.000) 4.746======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -0.000 5.288 3.384) 6.278 1.022 ( -0.000 7.673 0.732) 7.708 1.331 ( -0.000 5.544 4.300) 7.016 1.826 ( -0.000 13.000 2.126) 13.172 2.472 ( 0.000 0.925 -1.737) 1.968 2.634 ( -0.000 33.510 -0.525) 33.514 5.375 ( -0.000 6.306 2.423) 6.756 5.891 ( 0.000 2.594 -0.859) 2.733 6.078 ( 0.000 -4.482 -3.208) 5.512 6.220 ( 0.000 -4.291 -3.711) 5.673 6.929 ( 0.000 -18.222 2.234) 18.358 8.054 ( 0.000 -1.148 -3.929) 4.094======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( -1.603 5.249 2.860) 6.189 1.096 ( 0.544 4.719 0.346) 4.763 1.381 ( -0.557 3.188 0.946) 3.372 2.000 ( 4.042 13.612 0.833) 14.224 2.435 ( -1.790 -2.473 -2.348) 3.851 3.034 ( 6.830 31.095 -0.356) 31.838 5.441 ( 0.391 6.001 0.643) 6.048 5.921 ( -2.321 0.831 -0.039) 2.466 6.016 ( 0.332 -0.822 -0.839) 1.220 6.163 ( 0.183 -4.293 -4.382) 6.137 6.745 ( -0.815 -17.694 1.150) 17.750 8.002 ( -2.916 -2.037 -3.858) 5.248======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( 0.037 5.370 2.244) 5.820 1.140 ( 0.194 2.670 0.415) 2.709 1.384 ( -1.117 1.426 -2.536) 3.117 2.202 ( 3.701 6.018 -1.518) 7.226 2.411 ( 2.172 4.925 2.480) 5.926 3.447 ( 8.334 23.834 -1.075) 25.272 5.515 ( 1.001 5.905 -1.817) 6.259 5.811 ( -7.988 1.023 -0.985) 8.113 6.073 ( 1.529 -0.952 5.355) 5.649 6.129 ( 3.219 -1.704 -5.942) 6.970 6.562 ( -0.841 -15.226 -0.636) 15.262 7.886 ( -5.750 -2.873 -4.806) 8.026======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 1.656 5.436 1.970) 6.014 1.157 ( -0.332 0.649 0.184) 0.752 1.373 ( -0.099 1.767 -3.465) 3.891 2.200 ( -0.786 -4.940 2.424) 5.558 2.662 ( 8.164 17.481 2.495) 19.454 3.776 ( 7.300 14.576 -0.794) 16.321 5.549 ( -3.339 5.501 -4.789) 8.022 5.713 ( -4.542 2.243 1.518) 5.288 6.045 ( -3.084 -0.751 1.707) 3.604 6.191 ( 5.297 -3.747 -1.471) 6.653 6.438 ( 1.378 -7.701 -0.669) 7.851 7.728 ( -6.180 -3.324 -6.058) 9.270======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.740 -0.656 -0.572) 1.142 1.227 ( 0.731 4.841 0.911) 4.980 1.410 ( 2.660 2.307 -1.535) 3.842 2.135 ( -2.200 -5.157 4.692) 7.311 2.982 ( 4.912 20.086 1.332) 20.720 3.981 ( 5.314 4.523 0.260) 6.983 5.515 ( -4.713 7.079 -2.306) 8.811 5.663 ( -2.160 -3.446 -0.540) 4.103 5.984 ( -5.260 3.191 1.296) 6.288 6.216 ( 4.597 -5.557 -1.672) 7.403 6.449 ( 1.927 0.599 1.198) 2.347 7.592 ( -2.697 -3.252 -5.559) 6.982======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 0.173 -0.387 -0.383) 0.571 1.268 ( -1.295 4.237 0.353) 4.445 1.473 ( 2.995 -0.367 -1.099) 3.211 2.052 ( -3.299 -3.712 2.950) 5.776 3.199 ( -4.451 19.466 0.226) 19.969 4.061 ( 3.704 -3.733 0.984) 5.350 5.507 ( -3.662 3.382 -3.697) 6.206 5.615 ( 2.659 -1.389 5.016) 5.845 5.942 ( -5.444 5.961 -0.152) 8.074 6.244 ( 4.220 -3.924 0.233) 5.767 6.465 ( -2.371 2.032 -1.631) 3.523 7.551 ( 2.601 -2.188 -1.924) 3.906======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 1.052 0.048 0.209) 1.073 1.270 ( -3.160 3.149 0.417) 4.481 1.480 ( 0.412 -3.221 -0.907) 3.371 1.990 ( -0.333 -1.480 -0.360) 1.559 3.190 ( -14.862 12.370 -0.264) 19.339 4.060 ( 1.018 -5.153 0.911) 5.331 5.471 ( 0.658 -0.205 -1.422) 1.581 5.742 ( 5.408 3.795 8.510) 10.774 5.902 ( -5.305 5.613 -2.541) 8.130 6.279 ( 3.354 -3.074 2.174) 5.043 6.400 ( -4.438 0.490 -5.637) 7.191 7.612 ( 5.330 -0.500 1.548) 5.573======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 0.401 -0.000 0.221) 0.457 1.215 ( -5.346 0.645 0.208) 5.389 1.448 ( -0.400 -1.591 0.285) 1.665 2.024 ( 5.577 -0.433 -1.387) 5.763 2.959 ( -19.838 3.990 0.002) 20.236 3.985 ( -5.962 -2.582 0.454) 6.513 5.533 ( 5.441 1.436 0.994) 5.714 5.799 ( -6.042 1.151 3.427) 7.041 5.918 ( 2.196 4.041 0.371) 4.614 6.303 ( 0.977 -3.994 -0.057) 4.112 6.334 ( 1.217 1.429 -3.515) 3.985 7.717 ( 5.908 0.350 1.924) 6.223======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( -6.148 -0.000 0.000) 6.148 1.155 ( -1.065 -0.000 0.000) 1.065 1.434 ( -0.834 -0.000 0.000) 0.834 2.154 ( 9.064 0.000 -0.000) 9.064 2.621 ( -20.191 -0.000 0.000) 20.191 3.790 ( -15.310 -0.000 0.000) 15.310 5.651 ( -0.302 -0.000 0.000) 0.302 5.692 ( -0.493 -0.000 0.000) 0.493 5.952 ( 0.354 0.000 -0.000) 0.354 6.275 ( -1.248 -0.000 0.000) 1.248 6.434 ( 8.756 0.000 -0.000) 8.756 7.828 ( 6.120 0.000 -0.000) 6.120======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -0.000 2.510 0.642) 2.591 1.138 ( -0.000 3.634 0.853) 3.733 1.420 ( 0.000 2.318 -0.833) 2.463 2.091 ( -0.000 12.177 -0.359) 12.183 2.397 ( 0.000 -6.035 -2.823) 6.663 3.299 ( -0.000 30.932 0.394) 30.935 5.472 ( 0.000 2.273 -2.430) 3.327 5.966 ( -0.000 2.998 4.893) 5.738 6.026 ( -0.000 0.895 1.495) 1.743 6.085 ( 0.000 -5.187 -7.535) 9.147 6.576 ( 0.000 -16.647 -0.614) 16.658 7.999 ( 0.000 -2.047 -2.729) 3.411======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 0.827 2.298 0.252) 2.455 1.167 ( -0.232 2.023 0.772) 2.178 1.413 ( -1.511 0.993 -3.691) 4.110 2.204 ( 0.110 3.148 -1.739) 3.598 2.374 ( 6.156 0.938 0.281) 6.233 3.611 ( 2.148 25.569 0.039) 25.659 5.501 ( 3.342 1.020 -4.056) 5.354 5.933 ( -5.497 -1.574 2.022) 6.065 6.042 ( 1.925 -1.653 -4.419) 5.096 6.080 ( 1.208 2.905 5.261) 6.130 6.415 ( -0.346 -13.013 -3.508) 13.482 7.935 ( -3.872 -2.295 -2.771) 5.286======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 2.202 2.420 0.361) 3.292 1.176 ( -0.382 0.892 0.860) 1.296 1.385 ( -0.741 1.148 -4.235) 4.450 2.166 ( -0.324 -5.126 2.111) 5.554 2.628 ( 12.818 10.763 0.948) 16.764 3.863 ( 1.562 17.555 -0.065) 17.625 5.581 ( 3.923 3.422 -4.229) 6.708 5.817 ( -6.169 -2.788 3.888) 7.807 6.023 ( 2.067 -4.526 -6.703) 8.348 6.152 ( -0.134 2.729 8.355) 8.791 6.307 ( 2.027 -6.028 -5.519) 8.420 7.802 ( -7.093 -2.408 -4.084) 8.532======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -1.072 -0.937 -0.550) 1.526 1.246 ( 2.778 3.645 1.000) 4.691 1.396 ( 1.085 1.875 -1.585) 2.684 2.125 ( -0.357 -4.402 4.572) 6.357 2.997 ( 14.290 13.608 1.399) 19.782 4.004 ( -0.753 8.324 0.275) 8.363 5.636 ( -1.481 5.349 -5.446) 7.776 5.687 ( -5.677 -4.951 5.393) 9.264 6.002 ( 3.286 -4.274 -7.299) 9.074 6.176 ( -1.759 3.078 6.544) 7.442 6.351 ( 7.188 -1.310 -1.352) 7.431 7.632 ( -7.215 -2.307 -5.369) 9.285======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( -0.420 -0.680 -0.584) 0.990 1.320 ( 0.937 3.933 0.216) 4.049 1.430 ( 1.462 -0.037 0.100) 1.466 2.082 ( -2.278 -2.798 3.633) 5.121 3.373 ( 9.313 16.828 1.560) 19.297 3.998 ( -2.912 -2.743 0.087) 4.001 5.534 ( -4.174 -5.251 -2.348) 7.107 5.673 ( -1.655 6.843 4.240) 8.218 5.986 ( 1.779 -3.194 -7.313) 8.176 6.209 ( -0.965 3.220 6.278) 7.121 6.462 ( 4.673 0.276 -0.781) 4.745 7.505 ( -2.093 -1.999 -4.164) 5.071======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 0.783 -0.146 -0.119) 0.806 1.355 ( -1.911 3.868 0.327) 4.327 1.435 ( 0.930 -2.703 -0.310) 2.875 2.016 ( -3.346 -1.157 1.060) 3.696 3.563 ( -10.990 14.935 0.444) 18.548 3.926 ( 5.956 -9.057 0.229) 10.842 5.441 ( -0.721 -2.550 -1.555) 3.072 5.762 ( 1.766 6.454 6.798) 9.539 5.954 ( 0.428 -2.611 -6.563) 7.076 6.241 ( 0.087 1.121 4.462) 4.601 6.469 ( -3.438 0.230 -2.810) 4.446 7.510 ( 4.819 -0.864 -0.750) 4.953======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 1.235 0.000 -0.000) 1.235 1.314 ( -4.876 -0.000 0.000) 4.876 1.433 ( 0.744 0.000 -0.000) 0.744 1.974 ( -0.284 -0.000 0.000) 0.284 3.331 ( -19.651 -0.000 0.000) 19.651 3.996 ( 3.134 0.000 -0.000) 3.134 5.453 ( 3.496 0.000 -0.000) 3.496 5.877 ( 4.439 0.000 -0.000) 4.439 5.902 ( -3.259 -0.000 0.000) 3.259 6.264 ( 1.165 0.000 -0.000) 1.165 6.374 ( -5.137 -0.000 0.000) 5.137 7.612 ( 6.537 0.000 -0.000) 6.537======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 0.000 1.095 -0.483) 1.197 1.187 ( -0.000 0.904 0.562) 1.065 1.415 ( 0.000 -0.443 -6.135) 6.151 2.223 ( 0.000 -9.299 -0.278) 9.304 2.297 ( -0.000 8.941 -2.089) 9.182 3.842 ( -0.000 22.177 0.179) 22.178 5.436 ( 0.000 -2.128 -5.615) 6.004 5.917 ( 0.000 -5.386 -7.368) 9.127 6.042 ( -0.000 -3.799 11.201) 11.827 6.125 ( -0.000 5.584 4.683) 7.288 6.307 ( 0.000 -5.038 -7.915) 9.382 7.943 ( 0.000 -1.967 -1.449) 2.443======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 2.098 1.080 -0.358) 2.386 1.188 ( -0.401 -0.271 0.402) 0.629 1.381 ( -0.063 -0.534 -6.345) 6.368 2.122 ( -0.556 -6.634 1.824) 6.903 2.481 ( 11.491 6.225 -1.683) 13.177 4.033 ( -0.453 15.847 0.097) 15.853 5.466 ( 7.486 -0.808 -4.465) 8.754 5.842 ( -0.532 -4.228 -5.105) 6.650 5.965 ( -3.952 -8.564 7.204) 11.869 6.210 ( 0.847 4.567 5.575) 7.257 6.261 ( -1.016 1.937 -7.582) 7.891 7.880 ( -4.665 -1.705 -1.622) 5.225======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -0.867 -0.829 -0.497) 1.299 1.212 ( 3.933 1.402 0.608) 4.220 1.383 ( 1.668 0.952 -2.808) 3.402 2.087 ( 1.275 -4.039 3.221) 5.321 2.796 ( 17.977 5.725 -0.703) 18.880 4.137 ( -2.483 9.218 0.502) 9.559 5.621 ( 7.779 3.357 -3.675) 9.235 5.760 ( -5.257 -4.594 4.503) 8.308 5.849 ( 2.554 -7.462 -3.687) 8.706 6.237 ( -0.639 2.777 -4.025) 4.931 6.283 ( 0.488 2.423 4.197) 4.870 7.742 ( -8.198 -1.299 -2.557) 8.685======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -0.979 -0.575 -0.409) 1.207 1.301 ( 3.994 1.386 0.179) 4.231 1.417 ( 1.119 0.643 -0.215) 1.309 2.086 ( 0.389 -1.679 2.260) 2.843 3.197 ( 20.950 5.164 0.323) 21.580 4.116 ( -7.445 2.653 0.371) 7.913 5.586 ( -7.017 -2.672 -0.603) 7.533 5.750 ( 1.582 3.860 2.780) 5.013 5.870 ( 4.246 -4.158 -4.620) 7.527 6.282 ( 0.890 3.242 2.294) 4.070 6.329 ( 5.673 -0.991 -0.420) 5.775 7.574 ( -8.119 -0.811 -2.325) 8.484======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -0.126 -0.000 0.000) 0.126 1.372 ( 2.997 0.000 -0.000) 2.997 1.419 ( -1.080 -0.000 0.000) 1.080 2.066 ( -2.277 -0.000 0.000) 2.277 3.588 ( 19.090 0.000 -0.000) 19.090 3.934 ( -13.891 -0.000 0.000) 13.891 5.467 ( -4.344 -0.000 0.000) 4.344 5.826 ( -1.588 -0.000 0.000) 1.588 5.856 ( 4.369 0.000 -0.000) 4.369 6.281 ( -1.937 -0.000 0.000) 1.937 6.457 ( 5.407 0.000 -0.000) 5.407 7.469 ( -1.912 -0.000 0.000) 1.912======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 0.000 0.356 -0.579) 0.679 1.186 ( 0.000 -1.026 0.026) 1.027 1.342 ( 0.000 -1.624 -6.843) 7.033 2.062 ( -0.000 -6.359 1.705) 6.583 2.421 ( 0.000 4.682 -1.774) 5.006 4.171 ( -0.000 10.484 -0.269) 10.488 5.357 ( 0.000 -1.976 -3.832) 4.311 5.788 ( 0.000 -2.842 -5.125) 5.860 5.952 ( -0.000 -7.750 7.189) 10.571 6.259 ( -0.000 4.213 3.208) 5.295 6.287 ( 0.000 3.747 -4.867) 6.142 7.905 ( 0.000 -1.179 -0.492) 1.278======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 2.855 0.678 -0.034) 2.935 1.169 ( -0.156 -1.198 -0.247) 1.234 1.336 ( 2.541 -0.357 -3.077) 4.007 2.031 ( 1.456 -2.925 1.449) 3.574 2.558 ( 11.826 2.259 -0.979) 12.080 4.241 ( -0.859 5.009 -0.033) 5.082 5.431 ( 10.693 -0.449 -1.818) 10.856 5.753 ( 0.006 -1.515 -2.743) 3.133 5.856 ( -5.679 -4.196 3.137) 7.726 6.284 ( -2.192 2.536 -3.111) 4.573 6.310 ( 0.723 1.606 2.776) 3.287 7.849 ( -5.129 -0.620 -0.524) 5.193======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -1.128 -0.000 0.000) 1.128 1.228 ( 4.811 0.000 -0.000) 4.811 1.384 ( 2.936 0.000 -0.000) 2.936 2.055 ( 2.176 0.000 -0.000) 2.176 2.851 ( 19.781 0.000 -0.000) 19.781 4.232 ( -3.489 -0.000 0.000) 3.489 5.665 ( 14.275 0.000 -0.000) 14.275 5.711 ( -8.246 -0.000 0.000) 8.246 5.747 ( 1.037 0.000 -0.000) 1.037 6.253 ( -0.990 -0.000 0.000) 0.990 6.329 ( -0.229 -0.000 0.000) 0.229 7.721 ( -8.649 -0.000 0.000) 8.649======================= 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 2.32e-04 2.00e-05 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -0.000 0.000 0.000) 0.000 1.167 ( -0.000 0.000 0.000) 0.000 1.300 ( -0.000 0.000 0.000) 0.000 2.004 ( -0.000 0.000 0.000) 0.000 2.462 ( -0.000 0.000 0.000) 0.000 4.271 ( -0.000 0.000 0.000) 0.000 5.323 ( -0.000 0.000 0.000) 0.000 5.743 ( -0.000 0.000 0.000) 0.000 5.894 ( -0.000 0.000 0.000) 0.000 6.314 ( -0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 -0.000) 0.000 7.891 ( -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 2.32e-04 2.00e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.209 ( -0.000 -0.000 21.087) 21.087 0.209 ( -0.000 -0.000 21.087) 21.087 0.339 ( -0.000 -0.000 34.642) 34.642 1.387 ( 0.000 0.000 -0.380) 0.380 1.387 ( 0.000 0.000 -0.380) 0.380 3.117 ( 0.000 0.000 -4.308) 4.308 5.098 ( -0.000 -0.000 1.527) 1.527 5.098 ( -0.000 -0.000 1.527) 1.527 6.341 ( 0.000 0.000 -1.116) 1.116 6.341 ( 0.000 0.000 -1.116) 1.116 7.602 ( -0.000 -0.000 0.354) 0.354 8.046 ( 0.000 0.000 -0.241) 0.241======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.308 ( 10.817 6.245 5.549) 13.668 0.325 ( 9.387 5.420 7.285) 13.060 0.909 ( 20.196 11.660 18.609) 29.835 1.408 ( 2.571 1.484 -1.302) 3.241 1.563 ( 13.955 8.057 0.020) 16.114 2.476 ( -11.377 -6.568 17.796) 22.120 5.115 ( 1.466 0.846 0.805) 1.874 5.803 ( 14.940 8.626 -21.062) 27.226 6.273 ( -4.227 -2.441 -4.185) 6.430 6.331 ( -1.342 -0.775 -0.051) 1.550 7.537 ( -7.297 -4.213 4.674) 9.636 8.053 ( 1.274 0.736 -5.505) 5.698======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 11.144 6.434 -3.120) 13.241 0.605 ( 12.724 7.346 -0.034) 14.692 1.240 ( 6.442 3.719 8.031) 10.946 1.506 ( 6.550 3.781 -1.976) 7.817 2.056 ( 25.334 14.627 4.839) 29.651 2.407 ( -0.117 -0.067 -0.184) 0.228 5.168 ( 3.021 1.744 -0.471) 3.520 5.932 ( 0.464 0.268 -3.477) 3.518 6.149 ( -2.459 -1.419 -9.510) 9.924 6.283 ( -2.801 -1.617 0.863) 3.347 7.338 ( -10.876 -6.279 7.422) 14.588 8.041 ( -0.897 -0.518 -6.832) 6.910======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( 8.918 5.149 -5.807) 11.822 0.860 ( 8.879 5.126 -0.722) 10.278 1.342 ( 1.537 0.887 3.017) 3.500 1.708 ( 11.470 6.622 -2.368) 13.454 2.404 ( 0.563 0.325 -4.792) 4.836 2.677 ( 25.873 14.937 1.602) 29.918 5.247 ( 4.087 2.360 -2.306) 5.253 5.780 ( -9.842 -5.682 -5.469) 12.612 6.177 ( 4.991 2.881 -4.095) 7.070 6.214 ( -3.292 -1.901 1.848) 4.227 7.091 ( -12.421 -7.171 6.964) 15.944 7.965 ( -3.526 -2.036 -6.894) 8.007======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( 7.730 4.463 -5.292) 10.377 1.012 ( 4.784 2.762 -0.777) 5.578 1.350 ( -0.513 -0.296 -1.603) 1.709 1.999 ( 13.546 7.821 -2.405) 15.825 2.384 ( -1.171 -0.676 -3.415) 3.673 3.253 ( 23.257 13.428 -0.504) 26.860 5.338 ( 4.518 2.609 -4.334) 6.783 5.524 ( -9.620 -5.554 -6.764) 13.006 6.150 ( -2.848 -1.645 3.157) 4.559 6.293 ( 5.005 2.890 -0.241) 5.784 6.804 ( -13.718 -7.920 3.168) 16.154 7.847 ( -4.532 -2.617 -5.693) 7.733======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 2.496 1.441 -0.697) 2.965 1.116 ( 4.333 2.502 -1.575) 5.246 1.352 ( 3.323 1.918 -5.942) 7.073 2.287 ( 11.333 6.543 -2.241) 13.277 2.322 ( -3.870 -2.234 0.343) 4.481 3.734 ( 18.054 10.424 -0.984) 20.871 5.323 ( -5.457 -3.151 -5.230) 8.189 5.424 ( 4.230 2.442 -5.801) 7.583 6.106 ( -2.037 -1.176 4.559) 5.130 6.367 ( -2.505 -1.446 4.232) 5.126 6.512 ( -7.645 -4.414 -4.425) 9.875 7.734 ( -3.736 -2.157 -3.096) 5.310======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 1.172 0.677 -0.516) 1.448 1.144 ( -0.356 -0.205 -0.391) 0.567 1.491 ( 8.756 5.055 -5.997) 11.755 2.205 ( -6.297 -3.636 1.991) 7.539 2.491 ( 6.498 3.752 -1.859) 7.730 4.064 ( 10.135 5.852 -0.329) 11.708 5.250 ( -0.047 -0.027 -1.055) 1.056 5.494 ( 3.411 1.969 -5.686) 6.917 6.081 ( -1.657 -0.957 5.109) 5.456 6.149 ( -10.130 -5.848 -0.573) 11.711 6.505 ( 2.163 1.249 -2.096) 3.260 7.663 ( -1.770 -1.022 0.117) 2.048======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 0.355 0.205 0.287) 0.500 1.145 ( 0.159 0.092 -0.274) 0.329 1.632 ( 2.749 1.587 -3.565) 4.774 2.087 ( -2.222 -1.283 -0.289) 2.582 2.568 ( 0.540 0.312 -1.183) 1.337 4.189 ( 0.426 0.246 0.679) 0.839 5.287 ( 1.882 1.086 4.856) 5.320 5.544 ( 2.116 1.221 -3.502) 4.269 6.008 ( -0.519 -0.300 -3.095) 3.153 6.056 ( -1.741 -1.005 3.923) 4.408 6.533 ( 0.539 0.311 -0.951) 1.136 7.656 ( 0.752 0.434 3.035) 3.157======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.844 -0.487 0.044) 0.976 1.157 ( 0.480 0.277 0.826) 0.995 1.571 ( -5.793 -3.344 1.635) 6.886 2.143 ( 6.345 3.664 -3.870) 8.286 2.508 ( -5.455 -3.149 -0.186) 6.302 4.087 ( -9.471 -5.468 1.952) 11.108 5.358 ( 2.675 1.544 9.446) 9.939 5.563 ( -0.242 -0.140 0.254) 0.377 6.030 ( -0.986 -0.569 0.893) 1.447 6.096 ( 8.001 4.619 -5.387) 10.695 6.527 ( -0.576 -0.333 -0.358) 0.756 7.716 ( 3.187 1.840 5.087) 6.278======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( -2.123 -1.226 0.519) 2.506 1.146 ( -2.086 -1.204 1.388) 2.780 1.457 ( -4.217 -2.435 4.071) 6.348 2.297 ( 7.026 4.057 -2.155) 8.395 2.322 ( -10.409 -6.009 1.131) 12.072 3.770 ( -18.273 -10.550 2.417) 21.238 5.493 ( 6.153 3.552 11.693) 13.682 5.526 ( -3.533 -2.040 3.618) 5.453 6.029 ( 1.342 0.775 -2.443) 2.893 6.252 ( 4.793 2.767 -7.301) 9.161 6.544 ( 3.946 2.278 -1.332) 4.747 7.829 ( 4.730 2.731 5.848) 8.002======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -4.187 -2.417 1.456) 5.049 1.072 ( -4.871 -2.812 3.978) 6.889 1.388 ( -3.254 -1.879 2.173) 4.341 2.052 ( -12.942 -7.472 2.600) 15.169 2.430 ( 4.121 2.379 1.028) 4.869 3.271 ( -24.840 -14.341 1.191) 28.707 5.430 ( -5.584 -3.224 4.484) 7.854 5.701 ( 7.846 4.530 10.750) 14.059 6.076 ( 3.435 1.983 -3.937) 5.588 6.251 ( -1.461 -0.844 -4.265) 4.586 6.716 ( 10.543 6.087 -5.600) 13.400 7.960 ( 4.748 2.741 4.985) 7.410======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -7.636 -4.408 3.779) 9.593 0.947 ( -7.552 -4.360 6.956) 11.155 1.294 ( -5.489 -3.169 -0.954) 6.410 1.768 ( -11.731 -6.773 3.423) 13.971 2.467 ( -2.507 -1.447 1.855) 3.439 2.654 ( -26.793 -15.469 -1.050) 30.956 5.310 ( -5.659 -3.267 3.730) 7.524 5.877 ( 4.334 2.502 3.192) 5.936 6.154 ( 4.264 2.462 -3.976) 6.328 6.230 ( 0.986 0.569 1.526) 1.904 6.964 ( 12.227 7.059 -5.154) 15.030 8.067 ( 3.144 1.815 2.720) 4.537======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( -11.610 -6.703 8.424) 15.833 0.758 ( -11.278 -6.511 9.245) 15.971 1.097 ( -12.175 -7.029 -3.135) 14.404 1.552 ( -7.571 -4.371 2.597) 9.120 1.991 ( -24.969 -14.416 -2.296) 28.923 2.417 ( -4.713 -2.721 1.933) 5.775 5.201 ( -4.431 -2.558 2.734) 5.801 5.930 ( 1.303 0.752 -3.958) 4.235 6.240 ( 3.929 2.268 -3.326) 5.625 6.292 ( 2.536 1.464 3.409) 4.494 7.243 ( 12.313 7.109 -0.886) 14.245 8.114 ( 0.487 0.281 -0.442) 0.716======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.417 ( -0.000 21.740 -2.319) 21.863 0.589 ( -0.000 12.741 14.935) 19.632 0.855 ( -0.000 17.833 23.710) 29.668 1.438 ( -0.000 4.841 0.594) 4.878 1.525 ( -0.000 13.964 -2.491) 14.185 2.542 ( -0.000 -15.377 15.732) 21.999 5.152 ( -0.000 3.277 3.084) 4.500 5.691 ( 0.000 18.016 -21.131) 27.769 6.282 ( 0.000 -3.647 -2.992) 4.717 6.329 ( 0.000 -0.868 -1.676) 1.887 7.541 ( -0.000 -9.191 4.192) 10.102 8.037 ( 0.000 1.443 -5.293) 5.487======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -3.604 13.339 9.585) 16.816 0.670 ( 0.121 18.643 0.058) 18.643 1.184 ( 7.776 6.131 10.816) 14.665 1.503 ( 1.041 8.482 -0.453) 8.558 1.869 ( 17.278 21.037 2.885) 27.376 2.442 ( -3.179 -1.985 3.385) 5.051 5.186 ( -0.841 4.761 2.042) 5.248 5.851 ( 7.247 4.769 -9.178) 12.630 6.172 ( -5.420 -4.119 -5.659) 8.853 6.302 ( -1.173 -1.869 -1.275) 2.548 7.400 ( -4.678 -12.749 6.528) 15.068 8.033 ( -0.417 1.160 -6.931) 7.040======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( 1.838 9.232 5.976) 11.150 0.867 ( 3.109 12.733 -2.836) 13.411 1.327 ( 2.770 1.406 4.388) 5.376 1.655 ( 5.101 11.882 -0.953) 12.966 2.401 ( -0.850 1.130 -4.745) 4.951 2.450 ( 21.082 21.438 2.877) 30.205 5.241 ( 0.737 5.476 0.369) 5.537 5.877 ( -6.806 -3.144 -3.634) 8.331 6.083 ( 4.379 0.392 -6.653) 7.975 6.246 ( -2.198 -2.388 -0.447) 3.276 7.186 ( -7.242 -13.292 6.891) 16.632 7.984 ( -2.931 -0.763 -7.158) 7.773======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 4.858 6.282 0.221) 7.944 1.007 ( 2.440 7.303 -1.856) 7.920 1.356 ( -0.471 -0.332 0.108) 0.586 1.909 ( 8.896 14.067 -1.240) 16.690 2.377 ( -0.593 0.012 -4.289) 4.330 3.030 ( 20.719 19.247 -0.099) 28.280 5.317 ( 1.500 5.913 -1.794) 6.359 5.648 ( -11.301 -3.188 -5.378) 12.915 6.169 ( 0.120 -2.593 1.740) 3.125 6.211 ( 5.012 1.407 -2.998) 6.007 6.926 ( -9.861 -12.592 4.430) 16.595 7.877 ( -4.408 -2.525 -6.438) 8.201======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( 5.681 4.350 -0.724) 7.192 1.095 ( 1.844 4.296 -1.144) 4.813 1.329 ( -0.717 0.333 -3.753) 3.835 2.201 ( 8.355 11.703 -1.696) 14.479 2.352 ( -0.938 0.492 -0.588) 1.211 3.541 ( 17.938 14.995 -0.747) 23.392 5.370 ( -2.141 1.483 -4.708) 5.381 5.453 ( -5.701 4.434 -3.633) 8.085 6.120 ( -1.547 -3.756 3.432) 5.317 6.333 ( 6.060 1.316 -0.977) 6.278 6.625 ( -12.023 -9.945 0.163) 15.604 7.756 ( -3.579 -3.408 -4.370) 6.597======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( 1.453 2.399 -0.427) 2.837 1.144 ( 0.445 0.502 -0.189) 0.697 1.378 ( 6.229 4.322 -5.574) 9.410 2.248 ( -3.022 -4.731 1.602) 5.837 2.487 ( 3.927 13.731 -1.736) 14.386 3.933 ( 12.813 8.947 0.024) 15.627 5.287 ( -3.341 2.072 -1.826) 4.334 5.491 ( 0.236 7.452 -4.702) 8.815 6.051 ( -2.096 -7.754 4.376) 9.147 6.340 ( -11.341 -1.343 -0.139) 11.421 6.436 ( 4.861 -0.968 -2.769) 5.678 7.670 ( -1.319 -2.961 -1.148) 3.439======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.102 -0.031 -0.066) 0.126 1.155 ( -0.246 1.916 -0.340) 1.962 1.533 ( 7.511 2.446 -5.223) 9.470 2.125 ( -4.845 -4.814 1.274) 6.948 2.634 ( -1.425 11.337 -1.776) 11.564 4.150 ( 5.288 2.192 0.836) 5.785 5.306 ( 0.676 4.417 3.283) 5.545 5.553 ( 0.168 7.036 -4.583) 8.399 5.926 ( -1.385 -9.162 2.127) 9.507 6.206 ( -6.583 4.520 -0.108) 7.987 6.487 ( 3.098 -1.807 -1.542) 3.904 7.647 ( 1.043 -1.388 2.213) 2.812======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 0.605 0.311 0.580) 0.894 1.159 ( -0.982 1.389 -0.086) 1.703 1.590 ( -0.037 -3.194 -2.299) 3.935 2.059 ( 2.428 -0.806 -2.172) 3.356 2.646 ( -7.623 7.590 -1.054) 10.809 4.162 ( -3.543 -3.553 1.615) 5.271 5.383 ( 1.117 3.681 7.844) 8.737 5.602 ( -1.374 6.279 -2.579) 6.926 5.900 ( 5.719 -4.661 1.387) 7.507 6.166 ( -3.707 6.092 -2.127) 7.442 6.498 ( 1.583 -3.044 -1.238) 3.647 7.691 ( 3.105 0.370 4.584) 5.549======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -2.252 0.088 0.260) 2.268 1.162 ( -0.421 -0.374 0.816) 0.991 1.505 ( -3.412 -3.830 1.774) 5.428 2.160 ( 8.616 0.666 -3.433) 9.299 2.519 ( -12.668 3.315 0.172) 13.096 3.968 ( -13.101 -7.247 2.170) 15.128 5.489 ( 3.552 4.408 10.678) 12.086 5.602 ( -3.894 3.237 0.573) 5.096 5.969 ( 4.155 -2.692 0.823) 5.019 6.208 ( 2.327 6.805 -6.979) 10.022 6.488 ( 2.132 -2.747 -1.304) 3.713 7.786 ( 4.759 1.472 5.349) 7.310======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( -3.891 -2.853 1.547) 5.067 1.133 ( -2.462 -0.733 1.348) 2.901 1.432 ( -2.779 -1.930 2.263) 4.071 2.237 ( -8.898 -2.027 0.175) 9.128 2.362 ( 1.824 1.750 0.176) 2.534 3.582 ( -22.455 -8.833 1.627) 24.185 5.526 ( -6.344 -0.550 3.180) 7.118 5.671 ( 6.206 5.856 11.177) 14.062 6.008 ( 3.509 -0.757 -2.644) 4.459 6.250 ( -0.615 1.006 -6.104) 6.216 6.569 ( 9.028 2.232 -4.043) 10.141 7.909 ( 5.422 1.630 4.339) 7.134======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -6.069 -6.685 4.034) 9.889 1.074 ( -4.537 -0.162 1.812) 4.888 1.361 ( -4.461 -1.484 0.769) 4.764 1.967 ( -15.299 -3.066 2.254) 15.765 2.457 ( 3.577 0.030 0.398) 3.600 3.037 ( -29.711 -8.640 0.118) 30.942 5.401 ( -6.976 -2.462 3.105) 8.023 5.859 ( 4.321 4.589 6.650) 9.163 6.066 ( 5.086 -0.447 -4.109) 6.554 6.221 ( -0.002 0.055 -2.069) 2.070 6.783 ( 12.738 4.268 -4.224) 14.082 8.023 ( 4.593 0.939 1.880) 5.051======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( -8.916 -9.984 7.117) 15.160 0.971 ( -8.206 -0.622 0.808) 8.269 1.244 ( -8.169 -0.886 1.322) 8.323 1.700 ( -12.364 -2.599 1.872) 12.772 2.398 ( -29.742 -4.041 -0.540) 30.020 2.472 ( -5.239 -2.773 -0.129) 5.929 5.271 ( -5.718 -2.580 2.183) 6.642 5.930 ( 0.057 2.110 -1.217) 2.436 6.149 ( 5.839 0.063 -3.964) 7.058 6.257 ( 3.141 0.236 1.152) 3.354 7.059 ( 14.431 4.155 0.142) 15.018 8.090 ( 2.384 -0.155 -1.351) 2.744======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( -0.000 15.877 -2.609) 16.090 0.871 ( -0.000 7.720 7.646) 10.865 1.228 ( -0.000 7.648 12.122) 14.333 1.597 ( -0.000 10.078 1.729) 10.226 1.966 ( -0.000 29.594 1.011) 29.611 2.463 ( -0.000 -0.958 0.828) 1.266 5.263 ( -0.000 5.407 3.239) 6.303 5.806 ( 0.000 5.725 -7.150) 9.159 6.167 ( 0.000 -5.161 -3.600) 6.292 6.277 ( 0.000 -2.668 -4.074) 4.870 7.306 ( -0.000 -16.831 6.218) 17.943 8.030 ( 0.000 1.553 -6.981) 7.151======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( -3.240 9.308 4.639) 10.893 0.952 ( 0.359 9.569 -0.025) 9.576 1.328 ( 1.009 3.144 5.851) 6.718 1.730 ( 1.945 13.157 0.945) 13.333 2.391 ( 8.727 22.616 -0.545) 24.248 2.449 ( 1.532 7.862 -1.706) 8.189 5.317 ( -1.070 6.445 2.213) 6.898 5.883 ( 3.222 2.610 -2.883) 5.050 6.053 ( -4.323 -3.620 -4.933) 7.492 6.231 ( -0.201 -3.630 -3.910) 5.339 7.127 ( -2.320 -18.076 6.083) 19.213 8.003 ( -2.008 0.211 -6.814) 7.106======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( -1.477 7.651 4.168) 8.837 1.047 ( 0.915 6.833 -1.227) 7.003 1.362 ( -0.328 0.363 0.828) 0.962 1.942 ( 5.405 15.541 0.258) 16.456 2.390 ( -1.841 0.640 -3.265) 3.803 2.935 ( 15.212 25.486 -0.656) 29.688 5.379 ( -0.353 7.155 0.596) 7.189 5.796 ( -9.606 -1.393 -3.612) 10.357 6.074 ( 6.715 1.368 -1.851) 7.099 6.175 ( -0.561 -3.687 -2.971) 4.768 6.909 ( -4.110 -17.448 4.376) 18.452 7.914 ( -4.686 -1.699 -6.634) 8.298======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 1.429 6.790 2.468) 7.365 1.113 ( 0.768 4.120 -0.479) 4.218 1.340 ( -1.300 -0.021 -2.948) 3.222 2.193 ( 5.646 10.296 -1.417) 11.828 2.388 ( 0.435 5.926 1.718) 6.185 3.422 ( 14.721 19.492 -1.311) 24.462 5.431 ( -1.881 5.427 -2.566) 6.290 5.622 ( -8.840 3.942 -1.817) 9.848 6.113 ( -1.119 -3.883 1.046) 4.174 6.212 ( 7.339 0.389 -2.384) 7.726 6.670 ( -5.829 -13.981 1.491) 15.220 7.776 ( -5.184 -3.413 -6.181) 8.759======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 1.664 4.986 1.273) 5.408 1.147 ( -0.020 0.906 0.264) 0.944 1.337 ( 1.721 3.327 -3.911) 5.415 2.243 ( -0.902 -3.535 1.816) 4.076 2.588 ( 3.827 18.603 0.717) 19.006 3.815 ( 12.195 11.768 -0.157) 16.948 5.387 ( -5.174 4.075 -3.100) 7.279 5.593 ( -3.064 8.307 -1.038) 8.915 6.040 ( -3.018 -5.789 3.233) 7.285 6.306 ( 5.352 -3.402 -3.642) 7.313 6.471 ( -5.315 -3.779 0.519) 6.542 7.650 ( -2.274 -4.196 -4.380) 6.477======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -0.299 -0.424 -0.330) 0.615 1.188 ( -0.343 3.748 0.288) 3.775 1.434 ( 5.201 3.511 -3.078) 6.990 2.158 ( -4.091 -5.297 2.678) 7.209 2.809 ( -1.001 18.633 -0.839) 18.678 4.068 ( 7.546 3.526 1.237) 8.421 5.375 ( -1.644 6.493 0.493) 6.717 5.623 ( -1.002 5.664 -2.150) 6.140 5.915 ( -5.027 -5.302 3.666) 8.174 6.300 ( 0.177 -1.892 -3.607) 4.077 6.428 ( -0.527 0.841 -0.238) 1.021 7.600 ( 1.840 -3.250 -0.914) 3.845======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.822 0.084 0.154) 0.840 1.206 ( -1.638 3.132 0.148) 3.538 1.521 ( 3.346 -0.806 -3.302) 4.769 2.044 ( -3.066 -3.663 0.732) 4.832 2.899 ( -8.137 15.184 -1.115) 17.263 4.153 ( 1.400 -2.777 1.766) 3.576 5.431 ( 0.151 4.278 3.236) 5.366 5.682 ( 2.117 6.269 -1.269) 6.737 5.826 ( -2.452 -1.005 4.019) 4.814 6.274 ( -2.886 2.917 -2.659) 4.890 6.420 ( 1.480 -3.424 -2.083) 4.272 7.635 ( 4.234 -1.313 2.305) 4.996======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 0.661 0.071 0.439) 0.797 1.193 ( -2.953 1.682 0.293) 3.411 1.504 ( -0.840 -3.647 -1.144) 3.913 2.030 ( 4.420 -0.640 -1.531) 4.721 2.820 ( -14.446 9.064 -0.313) 17.057 4.077 ( -5.925 -5.483 1.647) 8.239 5.500 ( 3.072 2.706 5.503) 6.859 5.732 ( -5.151 6.615 -1.284) 8.482 5.873 ( 5.599 0.182 5.542) 7.880 6.246 ( -2.203 4.395 -5.941) 7.711 6.403 ( 2.431 -4.951 -1.423) 5.696 7.723 ( 5.227 -0.006 3.437) 6.256======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -4.648 -1.092 0.940) 4.867 1.158 ( -0.777 -0.259 0.493) 0.956 1.453 ( -1.293 -1.964 0.413) 2.388 2.149 ( 8.887 0.266 -1.397) 9.000 2.595 ( -17.643 2.887 0.966) 17.904 3.846 ( -14.955 -5.326 1.038) 15.909 5.632 ( 3.354 2.819 5.805) 7.273 5.670 ( -3.878 2.414 1.509) 4.811 5.952 ( 1.497 -0.133 2.531) 2.943 6.252 ( 0.029 2.215 -7.174) 7.508 6.431 ( 6.279 -0.882 -1.695) 6.563 7.831 ( 5.853 0.148 2.380) 6.320======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -6.338 -3.059 2.148) 7.358 1.130 ( -2.257 -0.341 0.498) 2.336 1.411 ( -2.347 -0.908 -0.134) 2.520 2.219 ( -10.554 -0.243 -0.172) 10.558 2.377 ( 0.494 -0.300 0.866) 1.042 3.458 ( -24.458 -3.577 0.017) 24.718 5.524 ( -8.362 -1.279 0.932) 8.510 5.815 ( 6.978 0.682 3.020) 7.634 5.980 ( 2.600 0.365 0.884) 2.770 6.228 ( -1.478 0.741 -3.676) 4.031 6.595 ( 11.383 2.595 -2.106) 11.863 7.937 ( 5.808 -0.532 -0.079) 5.833======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( -8.842 -2.923 2.911) 9.757 1.068 ( -4.675 -1.004 -0.588) 4.818 1.349 ( -4.105 -0.094 0.381) 4.123 1.934 ( -16.310 -1.354 0.320) 16.369 2.445 ( 2.956 -0.596 -1.783) 3.503 2.947 ( -31.125 0.059 -0.407) 31.128 5.368 ( -7.492 -1.757 0.349) 7.703 5.885 ( 4.834 -4.409 -4.240) 7.796 6.071 ( 3.456 3.426 1.765) 5.177 6.217 ( 0.737 0.350 -1.311) 1.544 6.845 ( 14.054 2.488 1.775) 14.382 8.014 ( 4.605 -1.444 -2.931) 5.646======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -0.000 3.741 2.497) 4.498 1.020 ( -0.000 8.693 -0.896) 8.739 1.375 ( -0.000 2.580 4.461) 5.153 1.840 ( -0.000 12.482 0.589) 12.496 2.444 ( 0.000 -0.163 -4.136) 4.139 2.635 ( -0.000 33.869 0.731) 33.877 5.390 ( -0.000 5.105 0.681) 5.151 5.882 ( -0.000 4.931 -0.660) 4.975 6.055 ( 0.000 -3.424 -1.493) 3.736 6.164 ( 0.000 -4.743 -7.668) 9.017 6.969 ( -0.000 -20.066 5.750) 20.874 8.004 ( 0.000 0.157 -6.172) 6.174======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( -0.853 3.928 1.596) 4.325 1.095 ( 0.336 5.513 -0.566) 5.552 1.388 ( -1.405 0.790 0.418) 1.665 2.002 ( 3.970 12.785 -0.495) 13.396 2.409 ( -0.788 -1.177 -2.972) 3.293 3.031 ( 6.252 31.008 -0.346) 31.634 5.439 ( 0.727 4.277 -1.129) 4.483 5.917 ( -4.694 1.715 -0.543) 5.027 6.010 ( 1.496 1.978 -0.906) 2.641 6.111 ( 1.431 -4.466 -5.847) 7.496 6.773 ( -1.156 -20.025 4.451) 20.546 7.954 ( -3.334 -0.874 -5.767) 6.719======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 0.624 4.553 1.546) 4.848 1.143 ( 0.187 3.320 0.075) 3.326 1.356 ( -1.692 0.079 -3.158) 3.584 2.186 ( 3.805 5.999 -1.710) 7.307 2.436 ( 3.748 6.538 2.582) 7.967 3.435 ( 8.013 24.180 -1.349) 25.509 5.493 ( 0.618 4.308 -2.570) 5.055 5.805 ( -7.952 3.072 -0.293) 8.530 6.064 ( 2.026 -3.483 -6.556) 7.695 6.120 ( 3.669 2.631 3.412) 5.659 6.567 ( -1.258 -17.782 1.652) 17.902 7.832 ( -6.444 -2.188 -6.073) 9.122======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 0.270 1.643 0.293) 1.691 1.167 ( 0.830 3.679 2.132) 4.333 1.339 ( 0.382 2.484 -3.613) 4.401 2.223 ( 0.344 -2.871 2.181) 3.622 2.687 ( 7.716 16.929 2.644) 18.792 3.768 ( 7.580 15.092 -0.810) 16.908 5.505 ( -3.354 5.205 -4.118) 7.436 5.731 ( -5.250 3.617 2.127) 6.721 6.035 ( 0.304 -2.875 -3.530) 4.562 6.201 ( 1.914 -1.240 2.998) 3.766 6.430 ( 2.574 -8.680 -0.864) 9.095 7.666 ( -6.347 -3.213 -6.416) 9.580======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -0.825 -0.885 -0.482) 1.302 1.236 ( 0.297 4.464 1.042) 4.594 1.396 ( 2.829 3.346 -1.226) 4.550 2.177 ( -2.398 -4.600 3.876) 6.475 2.995 ( 4.070 20.337 1.365) 20.785 3.985 ( 5.866 4.601 0.477) 7.470 5.489 ( -3.508 6.806 -2.727) 8.128 5.673 ( -3.225 -1.728 2.325) 4.335 5.988 ( -2.849 -0.177 -0.648) 2.927 6.210 ( 2.388 -2.218 0.616) 3.317 6.451 ( 1.980 0.255 -0.875) 2.180 7.540 ( -1.264 -3.411 -4.875) 6.083======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 0.423 -0.327 -0.300) 0.613 1.273 ( -1.350 4.219 0.597) 4.469 1.461 ( 2.331 0.340 -1.272) 2.677 2.079 ( -4.407 -4.140 2.566) 6.568 3.200 ( -5.206 19.852 0.140) 20.524 4.073 ( 4.086 -4.096 1.379) 5.948 5.478 ( -1.968 0.791 -1.941) 2.875 5.667 ( 2.232 2.975 5.142) 6.346 5.939 ( -3.970 2.483 -0.295) 4.692 6.250 ( 3.133 -0.759 0.971) 3.367 6.438 ( -3.647 1.105 -3.591) 5.236 7.535 ( 4.726 -2.240 -1.280) 5.384======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 1.236 0.024 -0.004) 1.236 1.275 ( -3.240 3.174 0.633) 4.580 1.468 ( 0.510 -2.486 -1.536) 2.966 1.994 ( -1.417 -1.792 1.086) 2.530 3.188 ( -14.911 12.652 -0.100) 19.556 4.071 ( 0.983 -5.716 1.325) 5.949 5.468 ( 2.285 -0.964 0.850) 2.622 5.808 ( 5.057 5.982 3.250) 8.480 5.890 ( -4.342 2.002 1.459) 4.998 6.299 ( 2.755 -0.890 1.750) 3.383 6.340 ( -5.597 0.143 -6.312) 8.438 7.622 ( 6.446 -0.981 0.620) 6.550======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 0.490 -0.150 0.034) 0.513 1.219 ( -5.311 0.441 0.586) 5.361 1.445 ( -0.042 -1.397 -0.888) 1.656 2.022 ( 5.146 0.128 1.088) 5.262 2.962 ( -19.652 3.952 0.609) 20.055 3.990 ( -6.026 -3.131 0.559) 6.813 5.549 ( 6.434 -0.087 2.465) 6.891 5.796 ( -5.958 0.777 -3.194) 6.805 5.956 ( 1.882 1.674 6.617) 7.080 6.247 ( -0.805 0.417 -7.881) 7.933 6.344 ( 2.228 0.475 2.057) 3.069 7.726 ( 6.190 -0.860 -0.260) 6.255======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -6.045 -0.728 0.864) 6.150 1.156 ( -1.001 -0.231 0.039) 1.028 1.426 ( -0.854 -0.514 -1.582) 1.870 2.160 ( 8.476 0.858 1.256) 8.611 2.626 ( -20.087 -0.658 1.005) 20.123 3.788 ( -15.428 -0.424 -0.342) 15.438 5.635 ( -1.619 -3.000 -3.110) 4.614 5.694 ( 0.488 -1.545 0.437) 1.678 5.970 ( 0.680 -0.882 3.436) 3.611 6.259 ( -0.584 3.544 -3.110) 4.751 6.438 ( 7.971 1.133 0.544) 8.070 7.816 ( 6.093 -1.540 -2.505) 6.765======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( -7.183 0.494 0.296) 7.206 1.122 ( -2.720 -0.540 -0.387) 2.800 1.391 ( -1.755 -0.427 -2.031) 2.718 2.213 ( -12.825 -0.115 -0.656) 12.842 2.371 ( 0.675 -0.499 0.127) 0.848 3.447 ( -24.281 2.816 -1.052) 24.466 5.486 ( -7.832 -1.781 -2.688) 8.470 5.702 ( 5.094 -7.809 -6.085) 11.134 6.043 ( 4.633 1.360 4.854) 6.847 6.255 ( -2.760 3.508 -0.941) 4.562 6.635 ( 12.558 0.701 1.962) 12.730 7.889 ( 5.801 -2.304 -4.652) 7.785======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -0.000 1.893 0.112) 1.896 1.141 ( -0.000 4.077 -0.357) 4.093 1.404 ( 0.000 -0.206 -2.263) 2.273 2.081 ( -0.000 11.543 -1.590) 11.652 2.367 ( 0.000 -4.802 -3.227) 5.785 3.300 ( -0.000 30.913 -0.129) 30.913 5.439 ( 0.000 0.505 -4.245) 4.275 5.996 ( 0.000 -4.777 -9.651) 10.768 6.002 ( -0.000 5.253 1.708) 5.524 6.049 ( -0.000 2.649 3.090) 4.070 6.595 ( 0.000 -19.884 4.071) 20.296 7.961 ( 0.000 -0.710 -4.719) 4.772======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 1.176 1.914 -0.196) 2.255 1.172 ( -0.071 2.360 0.087) 2.363 1.370 ( -1.398 -0.702 -4.956) 5.197 2.188 ( 0.604 4.185 -1.501) 4.487 2.375 ( 7.541 0.975 -0.169) 7.606 3.608 ( 1.905 25.831 -0.721) 25.911 5.458 ( 4.030 0.218 -4.557) 6.088 5.900 ( -1.399 -3.389 -8.456) 9.216 6.026 ( -3.017 2.893 1.445) 4.423 6.130 ( 1.916 5.382 3.994) 6.970 6.407 ( -0.648 -17.603 2.011) 17.729 7.899 ( -4.533 -1.137 -4.525) 6.505======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 2.056 1.677 0.029) 2.653 1.185 ( 0.190 1.034 1.082) 1.509 1.342 ( 0.317 1.540 -4.462) 4.731 2.188 ( 0.700 -3.497 2.453) 4.328 2.635 ( 13.834 9.601 0.428) 16.844 3.860 ( 1.558 18.160 -0.562) 18.236 5.539 ( 3.578 3.248 -4.466) 6.580 5.832 ( -2.055 -1.719 -1.795) 3.225 5.976 ( -2.157 -2.439 -1.979) 3.811 6.226 ( 1.170 4.318 5.168) 6.835 6.264 ( 1.920 -10.202 -1.487) 10.487 7.756 ( -8.114 -1.481 -5.260) 9.782======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -1.172 -1.128 -0.592) 1.731 1.255 ( 2.648 3.107 0.726) 4.146 1.383 ( 2.053 2.773 -0.993) 3.590 2.168 ( -0.089 -4.375 3.991) 5.923 3.009 ( 14.973 13.050 1.093) 19.892 4.006 ( -0.773 8.686 0.035) 8.720 5.579 ( -1.730 3.885 -5.799) 7.191 5.744 ( -5.221 -2.541 5.568) 8.045 5.938 ( 2.583 -3.772 -5.737) 7.335 6.237 ( -0.623 1.700 5.802) 6.078 6.336 ( 7.694 -0.672 -1.781) 7.926 7.578 ( -7.702 -1.315 -5.528) 9.572======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -0.316 -0.535 -0.440) 0.761 1.322 ( 1.023 3.575 0.166) 3.722 1.432 ( 1.305 0.319 0.163) 1.353 2.113 ( -2.703 -3.818 2.773) 5.438 3.387 ( 9.265 16.676 1.270) 19.119 3.999 ( -2.838 -3.084 0.064) 4.191 5.505 ( -3.970 -2.801 -3.052) 5.737 5.729 ( -0.964 5.856 6.302) 8.657 5.922 ( 2.235 -3.921 -5.758) 7.315 6.264 ( -1.352 2.590 4.975) 5.769 6.447 ( 4.153 0.460 -2.273) 4.756 7.467 ( -1.176 -0.777 -3.455) 3.731======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 0.854 -0.028 -0.180) 0.873 1.358 ( -1.663 3.688 0.428) 4.069 1.432 ( 0.501 -2.461 -0.399) 2.542 2.028 ( -3.618 -2.169 1.349) 4.429 3.568 ( -11.529 14.819 0.621) 18.786 3.929 ( 6.470 -9.603 0.249) 11.582 5.433 ( -0.329 -1.575 0.028) 1.609 5.807 ( 1.263 3.049 0.747) 3.384 5.918 ( 1.933 -0.273 0.506) 2.017 6.264 ( -0.599 -1.362 0.236) 1.506 6.448 ( -4.102 2.520 -1.047) 4.927 7.501 ( 5.516 -0.218 -1.037) 5.617======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 1.208 -0.030 -0.299) 1.245 1.314 ( -4.784 -0.536 0.112) 4.815 1.433 ( 0.571 0.670 -0.134) 0.891 1.984 ( 0.067 -0.320 1.886) 1.915 3.335 ( -19.620 -0.099 0.668) 19.632 3.996 ( 3.187 -0.523 0.048) 3.230 5.464 ( 3.563 0.258 2.240) 4.217 5.802 ( 1.273 -3.969 -8.535) 9.499 5.979 ( -0.508 1.274 8.900) 9.005 6.222 ( 0.293 -0.976 -6.934) 7.009 6.402 ( -4.126 2.848 4.161) 6.515 7.604 ( 6.273 -0.377 -1.685) 6.506======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 0.483 -0.148 -0.393) 0.640 1.215 ( -5.260 -0.997 0.211) 5.358 1.440 ( -1.200 1.586 -1.230) 2.338 2.048 ( 5.826 0.796 3.472) 6.829 2.962 ( -19.946 -4.342 0.584) 20.421 3.981 ( -6.046 2.230 -0.258) 6.449 5.529 ( 3.281 -3.436 -0.013) 4.751 5.745 ( -1.985 -1.107 -6.435) 6.824 5.936 ( -0.493 -6.160 2.934) 6.841 6.276 ( 3.495 6.059 -3.684) 7.906 6.386 ( -1.027 -0.177 5.142) 5.246 7.689 ( 5.428 -1.128 -3.821) 6.733======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -5.477 0.722 -0.142) 5.526 1.149 ( -0.917 -0.206 -0.347) 1.002 1.412 ( -2.380 0.924 -3.404) 4.256 2.195 ( 7.437 1.025 2.831) 8.023 2.583 ( -18.383 -3.560 -0.191) 18.726 3.826 ( -15.286 4.401 -0.920) 15.933 5.491 ( 1.233 -6.758 -7.066) 9.855 5.631 ( -6.257 -3.547 -2.551) 7.632 5.970 ( 6.004 -0.495 3.260) 6.850 6.344 ( -2.414 3.931 1.147) 4.753 6.447 ( 8.726 -1.177 1.087) 8.872 7.751 ( 5.315 -1.817 -5.293) 7.718======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 0.972 -0.662) 1.176 1.190 ( -0.000 1.099 -0.015) 1.099 1.349 ( 0.000 -1.734 -7.241) 7.446 2.226 ( 0.000 -7.907 0.815) 7.949 2.275 ( -0.000 8.909 -2.222) 9.182 3.838 ( -0.000 22.251 -1.017) 22.275 5.383 ( 0.000 -1.932 -5.110) 5.463 5.826 ( 0.000 -3.709 -10.696) 11.321 6.142 ( -0.000 3.305 7.540) 8.233 6.168 ( -0.000 5.546 3.855) 6.754 6.251 ( 0.000 -13.542 -1.889) 13.673 7.919 ( 0.000 -0.769 -3.342) 3.429======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 2.358 1.143 -0.321) 2.640 1.191 ( -0.321 -0.592 0.297) 0.736 1.320 ( 1.249 0.108 -6.028) 6.157 2.145 ( 0.003 -5.937 2.752) 6.544 2.465 ( 11.944 6.080 -1.521) 13.488 4.028 ( -0.188 16.098 -0.990) 16.130 5.426 ( 7.852 -0.117 -3.730) 8.694 5.771 ( 0.787 -2.207 -8.826) 9.132 6.034 ( -5.954 -10.332 5.619) 13.182 6.196 ( -1.251 3.056 -3.951) 5.149 6.268 ( 1.773 3.575 5.340) 6.666 7.855 ( -5.318 -0.589 -3.311) 6.292======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( -0.930 -0.793 -0.618) 1.369 1.216 ( 3.983 1.125 0.237) 4.146 1.362 ( 2.945 2.014 -1.481) 3.862 2.118 ( 1.571 -4.841 3.243) 6.036 2.790 ( 18.614 5.721 -0.506) 19.480 4.138 ( -2.190 9.399 -0.350) 9.657 5.579 ( 5.797 3.857 -4.663) 8.380 5.758 ( 2.232 -1.801 -4.526) 5.358 5.856 ( -2.641 -9.114 4.535) 10.517 6.202 ( 0.401 3.069 -2.514) 3.987 6.324 ( -0.096 1.731 3.800) 4.177 7.713 ( -8.926 0.096 -3.456) 9.572======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -0.940 -0.259 -0.277) 1.013 1.300 ( 3.905 1.277 -0.333) 4.122 1.419 ( 1.416 0.756 0.500) 1.682 2.105 ( 0.300 -3.425 1.436) 3.726 3.199 ( 21.325 4.882 0.226) 21.878 4.117 ( -7.467 2.520 -0.257) 7.885 5.561 ( -5.772 -0.473 -3.817) 6.936 5.776 ( 3.024 1.513 0.669) 3.447 5.848 ( 1.476 -1.965 1.506) 2.882 6.297 ( 7.374 1.941 0.502) 7.641 6.326 ( -0.050 -1.110 0.167) 1.124 7.552 ( -8.258 1.262 -2.027) 8.596======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -0.159 0.285 0.120) 0.347 1.370 ( 3.097 0.319 -0.252) 3.124 1.420 ( -1.196 -0.559 0.238) 1.341 2.063 ( -2.100 -1.739 -0.635) 2.799 3.587 ( 19.049 -1.179 -0.368) 19.089 3.933 ( -13.693 0.389 -0.057) 13.698 5.464 ( -3.687 0.997 -0.664) 3.876 5.789 ( -0.745 -5.319 -3.536) 6.430 5.906 ( 3.148 6.430 6.079) 9.392 6.268 ( -2.365 -3.369 -2.273) 4.702 6.458 ( 5.661 1.016 0.115) 5.753 7.472 ( -2.025 2.106 0.583) 2.979======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 0.575 0.305 0.057) 0.653 1.352 ( -2.122 -3.958 -0.177) 4.495 1.437 ( 1.323 2.831 0.171) 3.129 2.008 ( -2.299 -0.050 -0.580) 2.372 3.560 ( -10.135 -15.287 -0.226) 18.342 3.924 ( 5.461 8.768 -0.138) 10.331 5.461 ( 0.001 3.725 2.214) 4.333 5.698 ( -0.114 -6.896 -5.610) 8.891 6.028 ( -0.048 1.497 8.183) 8.319 6.183 ( 0.162 -1.441 -7.005) 7.154 6.495 ( -1.844 0.248 2.054) 2.771 7.516 ( 3.440 1.799 0.384) 3.901======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 0.801 0.016 -0.355) 0.877 1.267 ( -3.100 -3.143 -0.175) 4.418 1.485 ( -0.071 3.587 0.070) 3.588 2.001 ( 1.394 0.756 1.772) 2.378 3.193 ( -14.794 -12.447 0.331) 19.336 4.054 ( 1.112 4.824 -0.300) 4.959 5.495 ( -1.676 -1.231 3.294) 3.895 5.659 ( 5.402 -1.495 -8.082) 9.835 5.926 ( -5.225 -8.363 2.007) 10.063 6.259 ( 3.744 5.591 -1.772) 6.958 6.446 ( -3.382 -1.337 3.585) 5.107 7.593 ( 3.808 0.740 -2.125) 4.423======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 0.517 -0.199 -0.618) 0.830 1.188 ( -3.071 -1.566 -0.170) 3.451 1.490 ( -3.805 4.439 -2.254) 6.266 2.089 ( 6.393 0.513 3.931) 7.522 2.821 ( -15.201 -8.811 -0.312) 17.573 4.057 ( -6.167 4.798 -0.262) 7.818 5.409 ( -1.964 -6.024 -3.593) 7.284 5.694 ( -4.735 -2.185 -4.532) 6.909 5.844 ( 7.288 -2.054 2.691) 8.035 6.334 ( 1.842 -3.441 1.447) 4.163 6.415 ( -0.546 3.914 0.670) 4.008 7.648 ( 3.455 -0.212 -3.680) 5.052======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 0.000 0.524 -0.368) 0.641 1.184 ( 0.000 -1.441 -0.416) 1.500 1.285 ( 0.000 0.554 -4.534) 4.567 2.085 ( -0.000 -6.751 2.958) 7.371 2.407 ( -0.000 5.192 -0.954) 5.279 4.162 ( -0.000 10.831 -1.431) 10.925 5.327 ( 0.000 -0.778 -2.260) 2.390 5.732 ( 0.000 0.231 -6.822) 6.826 5.985 ( 0.000 -9.558 -0.054) 9.558 6.277 ( -0.000 3.950 2.761) 4.819 6.281 ( -0.000 3.367 1.308) 3.612 7.890 ( 0.000 -0.223 -2.471) 2.481======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 2.798 0.825 -0.072) 2.918 1.165 ( 0.042 -1.085 -0.592) 1.237 1.319 ( 3.056 1.766 -0.176) 3.534 2.050 ( 1.495 -4.377 2.335) 5.181 2.554 ( 11.834 2.895 -0.016) 12.183 4.235 ( -0.645 5.367 -1.068) 5.511 5.418 ( 10.420 0.907 -0.790) 10.489 5.723 ( -0.120 1.779 -4.083) 4.455 5.861 ( -4.596 -5.959 -1.144) 7.612 6.272 ( -2.772 3.152 0.147) 4.201 6.335 ( 0.864 0.172 2.564) 2.711 7.835 ( -5.299 0.442 -2.238) 5.769======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -1.078 0.406 -0.017) 1.152 1.225 ( 4.759 -0.102 -0.560) 4.793 1.393 ( 2.606 0.833 1.694) 3.218 2.055 ( 1.900 -1.976 0.025) 2.741 2.854 ( 19.613 0.384 0.586) 19.625 4.227 ( -3.449 -0.039 -0.962) 3.581 5.627 ( 5.121 3.736 -5.445) 8.357 5.719 ( -0.062 -1.905 -0.895) 2.106 5.768 ( 2.765 0.340 4.596) 5.375 6.258 ( -1.102 2.139 0.552) 2.469 6.328 ( -0.683 -2.608 0.147) 2.700 7.716 ( -8.343 1.599 -0.881) 8.540======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -0.955 0.850 0.461) 1.359 1.297 ( 4.191 -1.403 -0.624) 4.463 1.423 ( 0.431 -0.615 0.973) 1.229 2.062 ( 0.229 -0.037 -2.731) 2.740 3.193 ( 20.333 -5.542 -0.355) 21.078 4.110 ( -7.159 -2.667 -0.928) 7.696 5.568 ( -5.887 3.703 -3.874) 7.961 5.744 ( 0.609 -3.224 1.450) 3.587 5.920 ( 5.317 4.659 4.903) 8.603 6.258 ( -2.302 -4.934 -2.375) 5.940 6.331 ( 7.185 1.357 -0.002) 7.312 7.596 ( -7.474 2.754 2.123) 8.243======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( -0.525 0.828 0.621) 1.161 1.318 ( 1.078 -4.233 -0.228) 4.374 1.430 ( 1.348 0.403 0.035) 1.407 2.045 ( -1.671 1.652 -3.850) 4.510 3.358 ( 9.437 -16.945 -1.535) 19.456 3.997 ( -2.786 2.506 -0.095) 3.748 5.532 ( -2.175 5.608 -2.953) 6.701 5.668 ( -4.166 -5.646 3.428) 7.809 6.063 ( 1.694 2.812 8.191) 8.824 6.142 ( -1.063 -3.517 -7.358) 8.224 6.460 ( 5.026 -0.568 -1.200) 5.198 7.545 ( -2.863 3.292 4.009) 5.925======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -0.121 0.525 0.410) 0.677 1.266 ( -1.223 -4.239 -0.086) 4.413 1.482 ( 3.309 1.117 0.659) 3.554 2.023 ( -1.761 2.785 -2.707) 4.265 3.196 ( -3.797 -19.179 -0.303) 19.553 4.054 ( 3.534 3.474 -0.381) 4.970 5.526 ( -2.323 -7.153 -1.782) 7.729 5.597 ( -0.264 7.176 3.367) 7.931 5.939 ( -5.743 -8.404 -0.755) 10.207 6.246 ( 4.226 5.995 0.817) 7.380 6.468 ( -0.881 -2.895 -0.977) 3.180 7.572 ( 0.445 2.706 2.244) 3.544======================= 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 2.32e-04 2.00e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.091 0.157 -0.000) 0.181 1.205 ( -1.616 -2.800 -0.000) 3.233 1.557 ( 1.847 3.199 -0.000) 3.694 2.034 ( 1.130 1.957 -0.000) 2.260 2.911 ( -8.335 -14.437 -0.000) 16.670 4.135 ( 1.547 2.680 -0.000) 3.094 5.399 ( -3.522 -6.100 -0.000) 7.043 5.720 ( 4.222 7.313 -0.000) 8.445 5.754 ( -4.843 -8.388 0.000) 9.685 6.307 ( -1.646 -2.851 -0.000) 3.292 6.441 ( 1.260 2.182 -0.000) 2.519 7.610 ( 0.901 1.560 0.000) 1.802======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -0.000 0.224 0.328) 0.398 1.166 ( 0.000 0.487 -0.236) 0.541 1.317 ( -0.000 2.609 3.536) 4.395 2.010 ( -0.000 -1.707 1.321) 2.159 2.467 ( -0.000 0.619 1.057) 1.225 4.266 ( 0.000 0.586 -1.007) 1.165 5.331 ( -0.000 1.413 1.754) 2.252 5.743 ( -0.000 3.111 -0.649) 3.178 5.858 ( 0.000 -1.186 -6.127) 6.241 6.304 ( 0.000 -0.972 -2.113) 2.326 6.343 ( -0.000 0.042 5.132) 5.132 7.881 ( 0.000 0.848 -2.097) 2.262======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 2.669 -0.450 0.151) 2.711 1.170 ( -0.283 1.198 -0.099) 1.235 1.377 ( 1.475 1.936 5.281) 5.815 2.022 ( 1.017 1.456 -0.452) 1.833 2.572 ( 11.683 -1.818 1.729) 11.950 4.236 ( -1.039 -4.693 -1.009) 4.911 5.453 ( 10.018 1.787 2.637) 10.512 5.784 ( -0.063 2.816 3.745) 4.686 5.797 ( -4.286 4.070 -8.375) 10.250 6.276 ( 0.096 -2.502 -4.032) 4.746 6.332 ( -2.143 -1.945 5.970) 6.635 7.845 ( -4.621 1.696 -1.328) 5.098======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -0.751 0.803 0.278) 1.134 1.205 ( 3.740 -1.505 -0.634) 4.081 1.415 ( 0.194 -0.362 3.619) 3.642 2.057 ( 0.508 3.290 -2.733) 4.307 2.804 ( 17.136 -6.057 0.735) 18.189 4.128 ( -2.574 -8.921 -1.262) 9.370 5.646 ( 7.403 -0.648 0.712) 7.466 5.708 ( -5.279 3.481 -4.538) 7.783 5.896 ( 3.958 7.614 5.058) 9.961 6.225 ( -0.436 -5.234 -4.825) 7.132 6.295 ( -1.040 -0.225 5.116) 5.226 7.761 ( -7.009 2.636 1.153) 7.577======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -0.867 0.706 0.390) 1.184 1.236 ( 2.869 -4.042 -1.039) 5.065 1.413 ( 0.081 -1.148 1.913) 2.232 2.081 ( -0.921 4.414 -4.344) 6.261 2.983 ( 13.726 -14.195 -1.408) 19.796 4.001 ( -0.529 -7.820 -0.457) 7.852 5.626 ( -4.999 3.053 -5.059) 7.740 5.700 ( -0.664 -2.409 5.602) 6.133 6.072 ( 4.950 7.010 4.931) 9.897 6.115 ( -3.506 -6.306 -4.034) 8.267 6.360 ( 5.041 1.741 0.435) 5.351 7.680 ( -6.295 3.335 4.232) 8.286======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( -0.573 0.462 0.529) 0.906 1.219 ( 1.270 -5.039 -0.611) 5.232 1.425 ( 2.355 -1.224 1.619) 3.109 2.088 ( -2.143 5.472 -4.611) 7.470 2.970 ( 5.671 -19.766 -1.053) 20.590 3.980 ( 4.988 -4.352 0.004) 6.620 5.528 ( -5.049 -3.336 0.370) 6.063 5.688 ( -1.178 1.282 4.633) 4.949 5.964 ( -5.664 -4.578 -2.668) 7.756 6.241 ( 4.656 6.801 3.277) 8.870 6.427 ( 1.382 -0.848 -3.277) 3.656 7.645 ( -3.525 3.528 5.129) 7.154======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -0.000 -0.308 0.658) 0.727 1.184 ( 0.000 0.826 -0.335) 0.892 1.414 ( -0.000 2.217 7.612) 7.928 2.053 ( -0.000 5.962 -0.253) 5.967 2.441 ( -0.000 -4.443 2.265) 4.987 4.168 ( 0.000 -10.231 -0.926) 10.273 5.400 ( -0.000 2.924 4.983) 5.778 5.832 ( -0.000 3.623 0.476) 3.654 5.861 ( 0.000 7.496 -7.030) 10.276 6.219 ( 0.000 -4.794 -4.824) 6.801 6.353 ( -0.000 -2.571 7.668) 8.088 7.899 ( 0.000 2.205 -1.683) 2.774======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 1.821 -1.143 0.297) 2.170 1.183 ( -0.401 0.023 -0.554) 0.685 1.440 ( -1.090 0.093 5.580) 5.686 2.110 ( -1.399 7.240 -0.513) 7.391 2.497 ( 10.843 -6.738 1.522) 12.856 4.026 ( -0.529 -15.548 -1.143) 15.599 5.512 ( 6.706 1.270 4.679) 8.275 5.824 ( -4.096 5.829 -8.906) 11.405 5.949 ( 1.576 7.802 4.163) 8.982 6.153 ( 0.284 -5.491 -5.570) 7.827 6.340 ( -1.711 -0.919 8.102) 8.332 7.885 ( -3.803 2.875 -0.473) 4.791======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 2.004 -3.243 -0.715) 3.879 1.169 ( -0.503 -0.749 -0.663) 1.120 1.423 ( -1.355 -1.237 3.303) 3.778 2.149 ( -1.661 6.578 -1.277) 6.903 2.618 ( 11.967 -11.996 -1.219) 16.988 3.862 ( 1.834 -16.833 -0.420) 16.938 5.620 ( 4.075 -3.493 3.528) 6.422 5.769 ( -5.550 4.961 -5.564) 9.293 6.065 ( 1.818 0.893 -6.655) 6.956 6.101 ( 1.086 0.647 6.434) 6.557 6.361 ( -0.010 4.897 5.227) 7.163 7.833 ( -5.754 3.436 2.176) 7.046======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 1.847 -5.616 -1.566) 6.116 1.156 ( 0.023 -0.910 -0.083) 0.915 1.404 ( -0.235 -1.303 2.798) 3.095 2.177 ( -2.147 6.703 -2.128) 7.353 2.640 ( 8.799 -17.742 -1.889) 19.894 3.783 ( 7.219 -14.038 0.625) 15.798 5.596 ( -2.777 -4.843 4.622) 7.247 5.701 ( -3.352 -0.919 -0.970) 3.609 6.011 ( -2.611 0.153 -4.492) 5.198 6.222 ( 5.116 3.347 4.030) 7.322 6.441 ( -0.778 7.299 -0.041) 7.340 7.781 ( -5.476 3.799 4.643) 8.123======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 0.000 -1.360 0.237) 1.380 1.180 ( 0.000 -1.060 -0.888) 1.382 1.465 ( -0.000 -1.188 3.889) 4.066 2.231 ( -0.000 10.171 1.414) 10.269 2.315 ( 0.000 -9.385 1.565) 9.515 3.835 ( 0.000 -21.968 -1.317) 22.007 5.489 ( -0.000 1.646 5.091) 5.351 5.889 ( 0.000 6.293 -12.733) 14.204 6.020 ( -0.000 5.778 6.876) 8.981 6.079 ( 0.000 -4.867 -4.677) 6.750 6.389 ( -0.000 2.770 8.374) 8.820 7.946 ( 0.000 3.246 -0.908) 3.370======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 0.417 -2.936 -0.706) 3.048 1.158 ( -0.161 -2.053 -1.123) 2.345 1.440 ( -1.302 -2.405 1.697) 3.219 2.221 ( 0.231 -3.477 1.608) 3.837 2.370 ( 4.365 -0.411 -0.522) 4.415 3.607 ( 2.571 -25.068 -0.773) 25.211 5.534 ( 2.798 -2.508 2.376) 4.445 5.881 ( -2.998 4.796 -8.234) 9.990 6.016 ( -0.285 -1.721 -4.287) 4.628 6.115 ( 1.870 2.575 7.190) 7.862 6.464 ( -0.792 9.451 5.955) 11.199 7.951 ( -3.052 3.553 0.376) 4.699======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( -0.050 -6.333 -2.507) 6.811 1.135 ( 0.453 -2.306 -0.528) 2.408 1.404 ( -0.373 -2.256 1.402) 2.682 2.214 ( 4.147 -7.289 0.906) 8.435 2.390 ( 0.673 -2.339 -1.741) 2.993 3.455 ( 8.724 -23.398 0.582) 24.978 5.526 ( 1.858 -7.284 0.468) 7.532 5.822 ( -6.801 2.272 0.909) 7.228 6.016 ( 1.340 2.546 -5.659) 6.349 6.184 ( 2.314 0.684 5.203) 5.735 6.575 ( -1.761 12.714 1.881) 12.972 7.923 ( -4.678 3.794 2.672) 6.589======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 0.000 -3.266 -1.076) 3.438 1.125 ( 0.000 -3.641 -1.731) 4.031 1.421 ( 0.000 -4.042 -0.668) 4.097 2.088 ( 0.000 -13.094 -0.904) 13.125 2.421 ( -0.000 6.390 1.880) 6.661 3.293 ( 0.000 -30.454 -0.872) 30.466 5.483 ( 0.000 -4.370 -0.309) 4.381 5.901 ( 0.000 2.057 -8.378) 8.627 6.023 ( -0.000 1.334 0.827) 1.570 6.149 ( -0.000 3.319 5.844) 6.721 6.605 ( -0.000 13.307 4.715) 14.118 8.012 ( -0.000 3.460 0.028) 3.460======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( -2.426 -6.984 -3.763) 8.296 1.088 ( 1.118 -4.088 -1.158) 4.393 1.371 ( 0.346 -4.582 -1.052) 4.714 1.987 ( 4.362 -14.321 -1.806) 15.080 2.453 ( -2.034 3.112 1.194) 3.905 3.037 ( 7.218 -30.710 0.160) 31.548 5.427 ( 0.635 -7.089 -2.215) 7.454 5.908 ( 0.494 1.874 -3.153) 3.701 6.032 ( -1.969 3.520 2.613) 4.806 6.197 ( -0.049 2.591 2.841) 3.845 6.751 ( -1.389 14.959 2.226) 15.188 8.027 ( -2.278 3.319 1.112) 4.176======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 0.000 -7.069 -3.904) 8.075 1.001 ( 0.000 -7.385 -3.861) 8.333 1.299 ( 0.000 -7.179 -2.017) 7.457 1.800 ( 0.000 -13.391 -3.109) 13.748 2.478 ( 0.000 -2.436 -0.365) 2.464 2.643 ( 0.000 -32.067 1.108) 32.086 5.345 ( 0.000 -6.765 -3.475) 7.606 5.894 ( 0.000 0.731 -0.496) 0.884 6.115 ( -0.000 4.967 4.053) 6.411 6.238 ( -0.000 3.541 0.160) 3.545 6.928 ( -0.000 15.832 2.001) 15.958 8.077 ( -0.000 2.544 0.709) 2.641======================= 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 2.32e-04 2.00e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.408 ( -0.000 -0.000 19.676) 19.676 0.408 ( -0.000 -0.000 19.676) 19.676 0.674 ( -0.000 -0.000 34.101) 34.101 1.381 ( 0.000 0.000 -0.792) 0.792 1.381 ( 0.000 0.000 -0.792) 0.792 3.055 ( 0.000 0.000 -8.523) 8.523 5.120 ( -0.000 -0.000 2.835) 2.835 5.120 ( -0.000 -0.000 2.835) 2.835 6.325 ( 0.000 0.000 -2.086) 2.086 6.325 ( 0.000 0.000 -2.086) 2.086 7.607 ( -0.000 -0.000 0.647) 0.647 8.043 ( 0.000 0.000 -0.444) 0.444======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.413 ( 4.241 2.448 14.500) 15.305 0.468 ( 0.645 0.373 19.168) 19.182 1.082 ( 14.015 8.092 16.604) 23.186 1.395 ( 2.359 1.362 -1.375) 3.052 1.577 ( 16.640 9.607 2.807) 19.418 2.607 ( -16.850 -9.728 8.023) 21.046 5.129 ( 0.863 0.498 2.177) 2.394 5.619 ( 20.776 11.995 -15.447) 28.533 6.234 ( -5.803 -3.351 -3.837) 7.722 6.324 ( -0.814 -0.470 -1.354) 1.649 7.579 ( -4.763 -2.750 3.830) 6.702 8.005 ( -0.981 -0.567 -4.181) 4.332======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 6.221 3.592 7.129) 10.121 0.635 ( 10.165 5.868 5.903) 13.138 1.309 ( 4.378 2.528 6.086) 7.912 1.489 ( 6.380 3.683 -1.397) 7.498 2.105 ( 24.724 14.275 4.792) 28.949 2.400 ( -4.039 -2.332 -1.165) 4.808 5.170 ( 2.151 1.242 0.886) 2.637 5.885 ( 5.126 2.960 -5.864) 8.332 6.062 ( -4.624 -2.670 -7.870) 9.510 6.284 ( -2.234 -1.290 -0.693) 2.671 7.412 ( -10.497 -6.060 7.658) 14.337 7.969 ( -1.052 -0.607 -7.651) 7.746======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( 6.840 3.949 -0.997) 7.961 0.864 ( 7.916 4.570 1.719) 9.300 1.369 ( -0.117 -0.067 2.413) 2.416 1.690 ( 11.260 6.501 -1.272) 13.064 2.350 ( 0.347 0.200 -6.024) 6.037 2.695 ( 24.564 14.182 2.113) 28.443 5.231 ( 3.031 1.750 -0.977) 3.633 5.733 ( -10.832 -6.254 -4.026) 13.140 6.131 ( 7.274 4.199 -5.323) 9.944 6.225 ( -2.560 -1.478 0.300) 2.971 7.156 ( -13.523 -7.808 6.090) 16.761 7.897 ( -3.009 -1.737 -6.955) 7.775======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( 8.021 4.631 -3.613) 9.941 1.008 ( 4.476 2.584 -0.039) 5.169 1.336 ( -2.293 -1.324 -1.299) 2.949 1.980 ( 13.331 7.697 -1.613) 15.477 2.349 ( 0.359 0.207 -3.563) 3.587 3.251 ( 22.727 13.121 0.000) 26.242 5.301 ( 3.488 2.014 -3.136) 5.104 5.473 ( -9.689 -5.594 -3.488) 11.719 6.175 ( -1.943 -1.122 1.987) 2.998 6.279 ( 6.326 3.652 -2.488) 7.717 6.827 ( -15.693 -9.060 1.569) 18.189 7.798 ( -3.594 -2.075 -4.195) 5.901======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 2.463 1.422 -0.585) 2.903 1.102 ( 5.965 3.444 -1.356) 7.020 1.297 ( 1.603 0.926 -5.106) 5.431 2.265 ( 11.279 6.512 -2.170) 13.204 2.321 ( -2.624 -1.515 -0.583) 3.086 3.730 ( 18.088 10.443 0.076) 20.886 5.292 ( -4.688 -2.706 -0.924) 5.491 5.370 ( 3.623 2.092 -5.010) 6.527 6.149 ( -1.280 -0.739 4.113) 4.370 6.395 ( 2.285 1.319 0.995) 2.820 6.462 ( -13.146 -7.590 -5.108) 16.016 7.716 ( -2.641 -1.525 -0.587) 3.106======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 1.249 0.721 -0.647) 1.581 1.142 ( -0.325 -0.188 0.034) 0.377 1.428 ( 9.075 5.240 -6.815) 12.501 2.216 ( -6.107 -3.526 0.280) 7.057 2.470 ( 6.690 3.863 -2.403) 8.090 4.065 ( 10.288 5.940 0.633) 11.896 5.263 ( 1.597 0.922 3.801) 4.225 5.436 ( 3.624 2.092 -5.833) 7.179 6.127 ( -10.897 -6.291 -3.728) 13.123 6.134 ( -1.543 -0.891 5.737) 6.007 6.484 ( 2.778 1.604 -2.312) 3.954 7.678 ( -0.830 -0.479 2.784) 2.944======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 0.295 0.170 -0.508) 0.611 1.145 ( 0.634 0.366 0.519) 0.897 1.583 ( 4.681 2.703 -6.297) 8.299 2.082 ( -3.657 -2.112 -0.900) 4.318 2.552 ( 0.973 0.562 -2.096) 2.379 4.199 ( 0.807 0.466 1.345) 1.636 5.355 ( 3.453 1.993 8.985) 9.830 5.499 ( 3.279 1.893 -5.267) 6.487 5.967 ( -0.958 -0.553 -5.203) 5.319 6.106 ( -2.602 -1.502 6.008) 6.718 6.519 ( 0.858 0.495 -1.993) 2.225 7.697 ( 1.353 0.781 5.079) 5.314======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.647 -0.374 -0.218) 0.779 1.165 ( 0.523 0.302 0.841) 1.036 1.572 ( -3.365 -1.943 -1.511) 4.169 2.106 ( 5.926 3.421 -3.568) 7.717 2.501 ( -4.814 -2.780 -1.223) 5.692 4.109 ( -9.114 -5.262 2.396) 10.794 5.464 ( 3.450 1.992 12.126) 12.764 5.547 ( 1.764 1.019 -3.242) 3.829 6.036 ( 7.248 4.185 -6.819) 10.795 6.056 ( -2.895 -1.672 4.335) 5.475 6.514 ( -0.408 -0.235 -2.379) 2.425 7.771 ( 3.395 1.960 5.921) 7.101======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( -1.812 -1.046 0.298) 2.113 1.159 ( -1.525 -0.881 1.235) 2.151 1.486 ( -3.593 -2.075 1.738) 4.499 2.273 ( 8.270 4.775 -2.524) 9.878 2.329 ( -9.611 -5.549 0.200) 11.100 3.794 ( -18.505 -10.684 2.535) 21.517 5.545 ( -1.774 -1.024 0.248) 2.064 5.617 ( 6.177 3.567 13.531) 15.296 6.019 ( -0.567 -0.327 0.515) 0.833 6.176 ( 5.167 2.983 -8.087) 10.050 6.517 ( 2.923 1.687 -4.205) 5.392 7.884 ( 4.471 2.582 5.142) 7.287======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( -3.532 -2.039 1.369) 4.302 1.104 ( -3.697 -2.135 2.699) 5.051 1.408 ( -3.974 -2.294 1.771) 4.918 2.074 ( -12.201 -7.044 1.951) 14.223 2.433 ( 5.114 2.953 -0.525) 5.929 3.282 ( -25.672 -14.822 1.169) 29.666 5.467 ( -5.128 -2.960 2.916) 6.600 5.807 ( 5.550 3.204 10.591) 12.379 6.042 ( 2.712 1.566 -2.902) 4.269 6.203 ( 0.607 0.350 -5.324) 5.370 6.659 ( 10.259 5.923 -6.026) 13.291 7.999 ( 4.054 2.341 2.777) 5.443======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( -0.000 10.836 9.428) 14.364 0.727 ( -0.000 9.697 13.108) 16.305 1.086 ( -0.000 11.850 22.672) 25.582 1.442 ( -0.000 5.618 0.003) 5.618 1.514 ( -0.000 14.972 0.800) 14.993 2.640 ( 0.000 -17.659 4.235) 18.160 5.186 ( -0.000 3.346 3.638) 4.943 5.524 ( 0.000 20.922 -12.932) 24.596 6.251 ( 0.000 -4.038 -3.201) 5.153 6.307 ( 0.000 -1.458 -2.784) 3.143 7.579 ( -0.000 -6.408 3.535) 7.318 7.992 ( 0.000 -1.633 -3.892) 4.221======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 2.975 13.963 2.886) 14.565 0.768 ( -6.518 10.522 12.971) 17.929 1.282 ( 3.763 4.139 8.980) 10.579 1.498 ( 0.379 9.313 -0.614) 9.341 1.909 ( 18.180 19.865 5.052) 27.398 2.458 ( -5.429 -5.221 -0.299) 7.538 5.209 ( -1.803 4.892 2.655) 5.851 5.762 ( 9.643 8.594 -8.715) 15.582 6.122 ( -7.016 -4.668 -4.549) 9.577 6.282 ( -0.152 -2.498 -2.743) 3.713 7.466 ( -3.983 -12.230 6.854) 14.574 7.963 ( -0.823 0.567 -7.193) 7.262======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( -0.531 8.920 4.485) 9.998 0.865 ( 1.859 10.430 3.424) 11.134 1.367 ( 1.194 0.303 3.745) 3.942 1.649 ( 4.667 12.459 -0.262) 13.307 2.345 ( -0.217 2.330 -6.417) 6.831 2.484 ( 18.646 17.966 3.609) 26.144 5.249 ( -0.491 5.579 1.269) 5.743 5.845 ( -7.723 -3.620 -2.816) 8.982 6.017 ( 6.054 2.746 -6.695) 9.435 6.234 ( -1.095 -2.891 -2.014) 3.690 7.253 ( -7.630 -14.169 6.689) 17.428 7.911 ( -2.722 -0.400 -7.543) 8.029======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 2.133 7.524 1.272) 7.924 0.997 ( 2.404 6.550 0.006) 6.977 1.357 ( -1.818 -1.710 -0.018) 2.496 1.901 ( 8.291 14.303 -0.410) 16.537 2.337 ( 0.179 1.718 -3.865) 4.233 3.030 ( 20.378 18.245 0.043) 27.352 5.305 ( 0.015 5.853 -0.628) 5.886 5.608 ( -11.414 -3.194 -2.624) 12.139 6.171 ( 7.890 2.492 -3.055) 8.821 6.183 ( -0.546 -2.621 -1.044) 2.874 6.963 ( -11.274 -13.654 3.166) 17.988 7.818 ( -3.489 -2.394 -5.578) 7.002======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 4.921 5.919 0.574) 7.719 1.085 ( 1.827 4.655 -0.827) 5.069 1.296 ( -1.976 -0.813 -2.985) 3.671 2.185 ( 8.018 11.717 -1.489) 14.275 2.347 ( -0.514 2.528 -0.417) 2.613 3.537 ( 18.218 14.841 -0.041) 23.498 5.336 ( -2.402 1.412 -2.191) 3.544 5.429 ( -6.285 4.820 -1.150) 8.004 6.147 ( -0.292 -3.307 2.144) 3.952 6.312 ( 6.786 1.233 -3.126) 7.572 6.622 ( -13.755 -10.267 -0.759) 17.181 7.723 ( -1.990 -3.679 -2.370) 4.808======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 1.054 2.559 -0.198) 2.774 1.145 ( 0.256 0.526 0.421) 0.721 1.325 ( 5.564 5.212 -5.163) 9.208 2.256 ( -2.727 -3.589 0.151) 4.510 2.470 ( 3.175 13.994 -1.677) 14.447 3.937 ( 13.011 9.189 0.945) 15.957 5.289 ( -1.512 2.129 2.179) 3.401 5.451 ( -1.048 8.182 -3.357) 8.906 6.089 ( -2.467 -8.295 3.391) 9.294 6.314 ( -8.996 -2.113 -4.648) 10.344 6.420 ( 3.225 0.511 -0.741) 3.348 7.670 ( 0.428 -3.347 1.184) 3.576======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.368 0.095 0.189) 0.425 1.151 ( -0.357 2.020 -0.312) 2.075 1.478 ( 7.000 3.501 -6.001) 9.863 2.130 ( -5.564 -4.497 -0.158) 7.156 2.614 ( -1.430 11.706 -2.241) 12.004 4.162 ( 5.312 2.524 1.561) 6.085 5.355 ( 2.819 4.102 6.548) 8.225 5.511 ( -0.241 8.144 -3.715) 8.955 5.934 ( -3.055 -7.545 -0.674) 8.168 6.210 ( -4.820 2.637 1.137) 5.611 6.469 ( 3.040 -1.561 -2.271) 4.103 7.678 ( 2.359 -1.739 3.940) 4.911======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -0.436 0.846 0.053) 0.953 1.159 ( 0.287 1.056 0.288) 1.132 1.554 ( 1.872 -1.467 -4.899) 5.445 2.041 ( 0.808 -1.064 -1.547) 2.044 2.632 ( -7.262 8.126 -1.787) 11.043 4.181 ( -3.325 -3.427 2.117) 5.223 5.468 ( 3.068 2.655 8.907) 9.788 5.573 ( -1.118 7.551 -2.579) 8.057 5.903 ( 5.051 -1.522 -1.329) 5.440 6.159 ( -4.462 2.445 1.050) 5.195 6.478 ( 1.660 -2.881 -2.764) 4.323 7.739 ( 3.805 -0.095 5.080) 6.348======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -2.068 0.374 0.053) 2.102 1.170 ( -0.223 -0.394 0.780) 0.902 1.509 ( -1.758 -3.090 -0.981) 3.688 2.130 ( 8.561 1.196 -2.518) 9.004 2.518 ( -12.081 4.053 -0.516) 12.753 3.990 ( -12.974 -7.625 2.278) 15.221 5.583 ( 0.451 3.918 1.304) 4.154 5.608 ( 2.092 3.783 8.016) 9.107 5.988 ( 3.210 -2.157 2.443) 4.574 6.142 ( 0.477 5.216 -5.945) 7.923 6.462 ( 1.694 -2.430 -3.894) 4.893 7.835 ( 4.916 0.680 4.435) 6.656======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -3.248 -1.943 1.151) 3.956 1.146 ( -1.991 -1.034 1.287) 2.586 1.446 ( -2.411 -2.377 0.447) 3.415 2.234 ( -5.412 -1.781 -0.910) 5.770 2.365 ( -0.385 2.510 0.422) 2.574 3.596 ( -22.722 -9.555 1.335) 24.685 5.544 ( -5.113 0.024 0.359) 5.126 5.783 ( 6.285 3.749 11.281) 13.447 5.995 ( 1.362 -1.525 0.218) 2.056 6.185 ( 0.502 2.243 -7.113) 7.475 6.522 ( 8.088 2.722 -5.532) 10.170 7.942 ( 5.136 0.485 2.186) 5.603======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.775 ( -0.000 14.750 0.454) 14.757 0.936 ( -0.000 5.175 5.786) 7.763 1.336 ( -0.000 4.104 9.404) 10.260 1.608 ( -0.000 10.401 0.413) 10.409 1.996 ( -0.000 28.471 5.239) 28.949 2.452 ( 0.000 -3.522 -3.149) 4.725 5.292 ( -0.000 4.833 2.519) 5.450 5.743 ( 0.000 9.312 -5.658) 10.896 6.137 ( 0.000 -4.934 -2.606) 5.580 6.227 ( 0.000 -3.824 -5.989) 7.106 7.373 ( -0.000 -16.783 7.364) 18.328 7.958 ( 0.000 1.544 -7.608) 7.763======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -0.375 10.719 -0.438) 10.735 0.979 ( -1.456 5.390 4.095) 6.925 1.382 ( -0.567 1.103 5.006) 5.157 1.735 ( 1.807 13.290 0.093) 13.413 2.372 ( 0.715 9.366 -3.641) 10.074 2.444 ( 8.601 18.930 0.984) 20.816 5.335 ( -1.097 5.678 1.446) 5.961 5.857 ( 3.741 4.813 -2.339) 6.530 6.010 ( -5.842 -2.990 -3.802) 7.584 6.184 ( 1.258 -4.521 -5.478) 7.213 7.192 ( -2.659 -18.894 7.108) 20.361 7.932 ( -2.015 0.827 -7.576) 7.883======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -1.078 7.295 1.066) 7.451 1.042 ( 0.539 6.113 0.577) 6.163 1.369 ( -1.650 -1.501 0.670) 2.329 1.942 ( 5.241 15.044 -0.191) 15.932 2.361 ( -1.053 3.044 -2.466) 4.056 2.929 ( 14.803 24.377 -0.561) 28.525 5.384 ( -0.790 6.229 0.471) 6.296 5.771 ( -10.012 -0.993 -1.547) 10.179 6.049 ( 6.947 3.074 -3.142) 8.220 6.142 ( 0.891 -4.003 -3.636) 5.481 6.953 ( -5.150 -18.643 4.618) 19.884 7.848 ( -4.498 -1.348 -6.734) 8.209======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 1.368 7.062 2.431) 7.593 1.109 ( 0.821 4.694 -0.360) 4.779 1.313 ( -2.098 -1.391 -2.509) 3.554 2.178 ( 5.549 9.821 -1.545) 11.386 2.408 ( 0.715 8.818 2.475) 9.186 3.411 ( 15.128 19.285 -1.064) 24.534 5.411 ( -2.889 4.002 -1.477) 5.152 5.616 ( -8.489 5.343 0.601) 10.049 6.102 ( 1.687 -4.053 -3.148) 5.402 6.197 ( 6.071 1.528 -0.608) 6.290 6.682 ( -7.030 -14.808 1.009) 16.423 7.720 ( -4.282 -3.821 -5.172) 7.725======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 0.169 2.863 0.548) 2.920 1.157 ( 0.285 2.630 1.999) 3.316 1.301 ( 1.890 4.293 -3.536) 5.874 2.256 ( -0.327 -1.628 0.765) 1.828 2.597 ( 2.247 18.713 1.106) 18.879 3.816 ( 12.925 11.944 0.340) 17.602 5.370 ( -3.812 3.768 -0.266) 5.366 5.590 ( -4.484 8.817 0.545) 9.907 6.065 ( -1.171 -5.758 1.611) 6.093 6.270 ( 3.117 -3.102 -3.687) 5.739 6.469 ( -4.783 -3.441 -0.967) 5.971 7.616 ( -0.356 -5.148 -2.439) 5.708======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.202 -0.568 -0.038) 0.604 1.193 ( -0.821 3.846 0.629) 3.982 1.405 ( 4.251 4.497 -2.801) 6.792 2.177 ( -4.747 -4.480 1.201) 6.637 2.800 ( -1.886 19.140 -0.860) 19.252 4.082 ( 7.907 3.703 1.681) 8.891 5.392 ( 0.204 5.535 2.927) 6.264 5.612 ( -2.037 6.929 -0.215) 7.225 5.945 ( -5.311 -5.058 2.259) 7.674 6.263 ( 1.155 -0.902 -3.843) 4.113 6.419 ( -1.089 0.053 -1.422) 1.792 7.599 ( 3.920 -4.145 0.806) 5.762======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 1.067 0.015 0.162) 1.079 1.208 ( -1.832 3.411 0.332) 3.885 1.485 ( 2.797 0.430 -3.826) 4.759 2.050 ( -4.055 -3.324 0.561) 5.273 2.887 ( -8.288 15.788 -1.350) 17.882 4.173 ( 1.419 -2.817 2.189) 3.839 5.469 ( 2.036 2.207 4.529) 5.434 5.676 ( 0.545 8.147 0.098) 8.166 5.855 ( -1.931 0.347 1.548) 2.499 6.252 ( -2.876 2.108 -1.526) 3.879 6.396 ( 1.591 -3.890 -2.841) 5.073 7.660 ( 5.543 -2.215 2.582) 6.504======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 0.792 -0.045 0.241) 0.829 1.196 ( -2.975 1.931 0.365) 3.566 1.484 ( 0.156 -2.500 -2.854) 3.798 2.024 ( 3.346 -0.064 0.305) 3.361 2.816 ( -14.103 9.792 -0.519) 17.177 4.095 ( -5.999 -5.963 1.904) 8.670 5.556 ( 5.056 0.838 6.040) 7.921 5.715 ( -4.681 6.458 -1.942) 8.209 5.923 ( 4.980 2.865 3.896) 6.942 6.196 ( -3.990 1.931 -3.679) 5.761 6.382 ( 2.414 -3.906 -3.054) 5.515 7.751 ( 5.785 -1.271 2.172) 6.309======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -4.226 -0.611 0.936) 4.372 1.163 ( -0.553 -0.548 0.548) 0.952 1.447 ( -0.714 -2.071 -1.629) 2.730 2.142 ( 8.095 1.127 -0.000) 8.174 2.606 ( -17.041 3.373 1.204) 17.413 3.856 ( -15.129 -6.074 0.808) 16.323 5.647 ( -4.899 1.673 -1.720) 5.455 5.712 ( 6.636 0.626 6.004) 8.971 5.996 ( -0.955 -0.206 6.225) 6.301 6.177 ( 0.961 3.141 -8.007) 8.654 6.405 ( 5.071 0.459 -3.611) 6.242 7.844 ( 5.936 -1.487 0.113) 6.121======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -0.000 8.873 -1.273) 8.964 1.031 ( -0.000 2.532 1.394) 2.891 1.413 ( -0.000 -0.196 3.041) 3.048 1.837 ( -0.000 12.017 -1.193) 12.076 2.393 ( 0.000 -0.100 -6.011) 6.012 2.649 ( -0.000 32.625 2.033) 32.689 5.387 ( 0.000 3.432 -1.294) 3.668 5.880 ( -0.000 6.771 0.265) 6.776 6.051 ( -0.000 -2.037 0.631) 2.132 6.076 ( 0.000 -5.818 -10.118) 11.672 7.035 ( -0.000 -21.012 7.346) 22.259 7.938 ( 0.000 1.088 -7.077) 7.160======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( -0.603 3.761 -0.372) 3.827 1.087 ( 0.576 5.292 -0.929) 5.404 1.388 ( -1.907 -1.801 -0.342) 2.645 1.991 ( 4.112 12.113 -1.713) 12.906 2.379 ( 0.915 0.509 -3.190) 3.358 3.028 ( 5.565 30.365 -0.162) 30.871 5.421 ( 1.560 2.544 -2.456) 3.865 5.907 ( -5.980 0.379 -2.285) 6.413 5.987 ( 2.567 1.695 -3.642) 4.767 6.070 ( 1.729 -0.767 -1.434) 2.374 6.826 ( -1.958 -21.234 6.044) 22.164 7.893 ( -3.532 -0.051 -6.483) 7.383======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 1.564 4.374 0.589) 4.682 1.141 ( 0.542 4.088 -0.416) 4.145 1.325 ( -2.045 -1.641 -2.940) 3.939 2.170 ( 4.206 6.820 -1.472) 8.147 2.459 ( 5.391 7.188 1.913) 9.186 3.422 ( 7.806 24.344 -1.343) 25.600 5.467 ( 0.722 2.853 -2.638) 3.953 5.801 ( -6.151 3.322 -0.763) 7.032 6.001 ( 1.950 -3.121 -5.920) 6.971 6.146 ( 3.658 4.250 2.080) 5.980 6.593 ( -2.664 -19.063 3.478) 19.560 7.771 ( -6.676 -1.893 -6.190) 9.299======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( -0.203 0.625 0.134) 0.670 1.190 ( 1.289 3.650 2.391) 4.549 1.304 ( 1.133 3.462 -3.393) 4.978 2.241 ( 1.056 -0.892 1.581) 2.100 2.712 ( 7.606 16.173 2.220) 18.009 3.761 ( 8.010 15.479 -0.661) 17.441 5.471 ( -2.676 4.183 -2.912) 5.756 5.754 ( -5.356 4.558 2.720) 7.541 5.989 ( 2.998 -3.990 -5.224) 7.225 6.235 ( 0.034 1.609 3.482) 3.835 6.423 ( 1.873 -9.995 -0.484) 10.181 7.607 ( -5.864 -3.549 -5.467) 8.767======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -0.821 -1.124 -0.269) 1.418 1.246 ( 0.082 3.991 0.969) 4.108 1.386 ( 2.818 4.203 -0.877) 5.135 2.208 ( -2.705 -3.920 2.431) 5.347 3.008 ( 3.325 20.459 1.132) 20.758 3.990 ( 6.532 4.567 0.597) 7.992 5.469 ( -1.949 4.966 -1.224) 5.473 5.702 ( -4.028 0.726 3.469) 5.365 5.973 ( 0.412 -3.247 -2.339) 4.023 6.226 ( -0.876 1.410 2.359) 2.884 6.433 ( 1.677 -0.154 -2.763) 3.236 7.501 ( 0.507 -4.020 -3.036) 5.063======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 0.566 -0.369 -0.185) 0.701 1.280 ( -1.335 4.161 0.771) 4.437 1.449 ( 1.534 0.924 -1.283) 2.203 2.100 ( -4.959 -4.012 1.751) 6.615 3.201 ( -5.899 20.272 0.063) 21.113 4.087 ( 4.597 -4.495 1.484) 6.598 5.471 ( -0.342 -0.509 0.508) 0.796 5.710 ( 1.180 4.759 3.682) 6.132 5.936 ( -1.874 -0.011 -0.584) 1.963 6.262 ( 1.412 2.344 1.399) 3.073 6.399 ( -4.217 0.191 -4.219) 5.968 7.527 ( 6.296 -2.870 -0.449) 6.934======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 1.336 -0.078 -0.228) 1.357 1.282 ( -3.316 3.171 0.793) 4.656 1.452 ( 0.216 -1.606 -1.745) 2.381 2.010 ( -1.676 -1.547 2.174) 3.151 3.188 ( -14.942 13.233 0.109) 19.960 4.085 ( 1.019 -6.393 1.466) 6.638 5.487 ( 3.568 -1.541 2.989) 4.903 5.801 ( 0.810 3.066 -2.957) 4.336 5.930 ( 0.309 4.106 4.498) 6.098 6.277 ( -3.595 -4.451 -5.021) 7.612 6.319 ( -0.922 4.633 1.225) 4.880 7.623 ( 6.998 -2.038 -0.459) 7.303======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 0.730 -0.286 -0.175) 0.803 1.226 ( -5.179 0.396 0.880) 5.269 1.431 ( -0.266 -1.008 -1.717) 2.009 2.044 ( 4.682 0.779 3.162) 5.703 2.971 ( -19.413 4.227 1.118) 19.899 3.996 ( -6.221 -3.768 0.558) 7.294 5.581 ( 6.491 -1.395 3.988) 7.745 5.754 ( -3.913 -0.633 -5.150) 6.499 6.028 ( 0.680 1.056 7.591) 7.694 6.167 ( -0.675 0.677 -8.342) 8.396 6.359 ( 0.658 2.884 0.839) 3.075 7.712 ( 6.236 -2.304 -2.419) 7.074======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 0.000 1.486 -0.471) 1.559 1.129 ( 0.000 4.662 -2.250) 5.177 1.378 ( 0.000 -2.888 -3.026) 4.183 2.061 ( -0.000 11.330 -2.518) 11.607 2.336 ( 0.000 -2.891 -3.051) 4.203 3.297 ( -0.000 30.340 -0.586) 30.345 5.393 ( 0.000 -0.492 -4.847) 4.872 5.879 ( 0.000 -5.646 -12.936) 14.114 6.028 ( -0.000 6.786 2.848) 7.359 6.083 ( -0.000 3.489 3.702) 5.087 6.647 ( -0.000 -21.416 6.221) 22.301 7.910 ( 0.000 0.303 -5.650) 5.658======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 1.494 1.891 -0.594) 2.482 1.167 ( 0.546 3.328 -1.202) 3.581 1.321 ( -1.080 -2.585 -4.831) 5.584 2.175 ( 1.486 5.906 -1.109) 6.190 2.371 ( 8.325 0.980 -0.609) 8.404 3.597 ( 1.881 25.773 -1.345) 25.877 5.415 ( 4.664 -0.053 -4.226) 6.294 5.796 ( 1.170 -3.836 -12.117) 12.764 6.050 ( -4.898 4.885 3.047) 7.559 6.159 ( 1.587 4.915 2.414) 5.701 6.447 ( -1.144 -19.041 5.519) 19.858 7.850 ( -4.985 -0.298 -5.349) 7.318======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 1.825 1.121 -0.215) 2.153 1.197 ( 0.777 0.912 1.315) 1.779 1.300 ( 1.693 2.491 -4.205) 5.172 2.212 ( 1.282 -1.934 2.383) 3.326 2.636 ( 14.798 8.778 -0.207) 17.207 3.853 ( 1.829 18.529 -0.967) 18.645 5.495 ( 3.053 2.813 -4.467) 6.098 5.782 ( 4.286 -2.240 -7.282) 8.741 5.985 ( -6.922 0.833 2.811) 7.518 6.221 ( 4.466 -3.507 -1.704) 5.929 6.311 ( -1.330 -4.728 6.667) 8.281 7.703 ( -8.664 -0.828 -5.447) 10.267======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -1.144 -1.255 -0.497) 1.769 1.259 ( 2.576 2.516 0.261) 3.611 1.377 ( 2.753 3.665 -0.366) 4.599 2.201 ( -0.178 -4.331 2.792) 5.156 3.018 ( 15.631 12.651 0.566) 20.117 4.005 ( -0.581 8.837 -0.226) 8.859 5.527 ( -1.074 2.980 -4.829) 5.775 5.784 ( -1.708 -1.944 1.859) 3.186 5.898 ( -0.649 -2.316 -1.600) 2.889 6.285 ( 4.670 -1.176 3.076) 5.714 6.322 ( 2.741 1.339 0.068) 3.052 7.528 ( -7.587 -0.557 -4.516) 8.847======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -0.245 -0.427 -0.233) 0.544 1.323 ( 1.295 3.222 0.090) 3.474 1.433 ( 0.966 0.642 0.118) 1.166 2.134 ( -2.891 -4.547 1.488) 5.590 3.397 ( 9.319 16.515 0.713) 18.976 3.999 ( -2.577 -3.452 0.033) 4.308 5.481 ( -2.647 -1.855 -1.730) 3.666 5.786 ( -1.347 5.619 5.172) 7.755 5.874 ( 2.753 -4.013 -4.137) 6.387 6.305 ( -1.915 0.642 3.386) 3.942 6.422 ( 3.761 1.778 -2.531) 4.869 7.440 ( -0.348 0.072 -1.962) 1.994======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 0.775 0.041 -0.215) 0.806 1.363 ( -1.422 3.441 0.462) 3.752 1.428 ( 0.145 -2.136 -0.429) 2.184 2.042 ( -3.104 -2.808 1.379) 4.407 3.575 ( -11.640 14.963 0.700) 18.970 3.931 ( 6.905 -10.309 0.205) 12.409 5.440 ( 0.715 -1.104 1.224) 1.797 5.788 ( -0.853 -2.243 -2.781) 3.673 5.947 ( 4.088 5.006 3.003) 7.127 6.253 ( -2.417 -4.556 -1.663) 5.419 6.449 ( -3.242 4.946 0.752) 5.961 7.491 ( 5.380 0.048 -1.147) 5.502======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 1.123 -0.045 -0.523) 1.239 1.316 ( -4.535 -0.962 0.193) 4.640 1.431 ( 0.149 1.161 -0.145) 1.180 2.009 ( 1.006 -0.540 3.263) 3.457 3.344 ( -19.531 -0.204 1.215) 19.569 3.996 ( 3.336 -0.937 0.082) 3.467 5.495 ( 4.034 0.624 3.895) 5.642 5.723 ( 0.196 -5.398 -7.266) 9.054 6.063 ( -0.629 0.885 8.291) 8.362 6.146 ( -0.200 -0.897 -8.283) 8.334 6.439 ( -3.465 3.776 3.147) 6.014 7.580 ( 5.499 -0.676 -3.108) 6.352======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 0.000 1.035 -0.722) 1.262 1.184 ( 0.000 2.367 -1.334) 2.717 1.280 ( 0.000 -2.959 -6.313) 6.972 2.238 ( -0.000 -6.255 1.622) 6.461 2.255 ( -0.000 9.287 -1.920) 9.484 3.823 ( -0.000 22.164 -2.003) 22.255 5.338 ( 0.000 -1.291 -3.906) 4.114 5.711 ( 0.000 -2.067 -12.884) 13.048 6.169 ( -0.000 3.562 0.364) 3.581 6.199 ( -0.000 4.957 2.580) 5.588 6.290 ( -0.000 -15.593 7.432) 17.273 7.880 ( 0.000 0.114 -4.530) 4.531======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 2.513 1.254 -0.247) 2.820 1.194 ( -0.273 -1.355 0.136) 1.389 1.267 ( 2.633 2.174 -4.614) 5.740 2.174 ( 0.229 -5.144 3.198) 6.061 2.452 ( 12.121 6.336 -1.027) 13.716 4.014 ( 0.213 16.260 -1.865) 16.368 5.395 ( 7.652 0.700 -2.642) 8.125 5.673 ( 1.517 -0.033 -11.101) 11.204 6.068 ( -3.893 -12.836 1.857) 13.541 6.186 ( -3.466 5.026 1.415) 6.267 6.318 ( 2.037 1.626 4.814) 5.474 7.817 ( -5.673 0.263 -4.377) 7.171======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -0.904 -0.701 -0.619) 1.301 1.215 ( 3.974 0.755 -0.399) 4.064 1.355 ( 3.676 3.317 0.075) 4.952 2.148 ( 1.338 -5.545 2.760) 6.337 2.787 ( 18.907 6.046 -0.142) 19.851 4.130 ( -1.763 9.439 -1.114) 9.667 5.531 ( 3.571 3.866 -5.150) 7.364 5.704 ( 5.184 -0.313 -5.812) 7.794 5.904 ( -1.420 -9.047 4.614) 10.254 6.191 ( -0.274 3.584 0.151) 3.597 6.356 ( -0.287 0.380 2.809) 2.849 7.677 ( -9.046 1.296 -3.715) 9.864======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -0.849 0.036 -0.113) 0.857 1.295 ( 3.980 1.116 -0.686) 4.190 1.426 ( 1.275 0.999 0.966) 1.887 2.114 ( -0.024 -4.929 0.400) 4.945 3.201 ( 21.368 4.747 0.114) 21.889 4.111 ( -7.226 2.296 -0.847) 7.629 5.521 ( -3.873 0.328 -4.056) 5.618 5.763 ( 3.919 0.476 -2.260) 4.549 5.887 ( -0.288 0.030 4.634) 4.643 6.292 ( 8.078 1.557 -1.318) 8.332 6.336 ( -1.045 -2.159 1.809) 3.005 7.536 ( -7.830 3.020 -1.343) 8.499======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -0.244 0.530 0.198) 0.616 1.367 ( 3.356 0.483 -0.410) 3.415 1.423 ( -1.502 -0.888 0.384) 1.787 2.054 ( -1.602 -3.193 -1.129) 3.747 3.582 ( 18.938 -2.107 -0.621) 19.064 3.933 ( -13.147 0.684 -0.129) 13.166 5.454 ( -2.292 1.007 -1.351) 2.845 5.772 ( -1.744 -4.174 0.091) 4.524 5.951 ( 3.357 7.263 2.428) 8.361 6.249 ( -3.110 -5.415 -1.119) 6.344 6.456 ( 6.074 0.912 -0.523) 6.165 7.480 ( -2.308 3.776 0.997) 4.537======================= 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 2.32e-04 2.00e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 0.281 0.486 -0.000) 0.561 1.351 ( -2.276 -3.943 -0.000) 4.553 1.438 ( 1.613 2.794 -0.000) 3.226 2.005 ( -0.690 -1.195 -0.000) 1.380 3.559 ( -9.130 -15.814 -0.000) 18.261 3.924 ( 5.074 8.789 -0.000) 10.148 5.474 ( 2.189 3.791 0.000) 4.377 5.668 ( -3.566 -6.176 -0.000) 7.132 6.107 ( 4.443 7.695 0.000) 8.885 6.110 ( -4.609 -7.983 -0.000) 9.218 6.505 ( -0.190 -0.329 -0.000) 0.379 7.518 ( 1.658 2.872 0.000) 3.316======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( -0.000 0.781 -0.065) 0.783 1.177 ( 0.000 -1.864 -1.128) 2.179 1.258 ( -0.000 3.742 -0.922) 3.854 2.118 ( -0.000 -6.964 3.711) 7.891 2.403 ( -0.000 5.872 0.061) 5.872 4.144 ( -0.000 11.197 -2.275) 11.426 5.314 ( 0.000 0.519 -0.425) 0.671 5.648 ( 0.000 3.455 -10.371) 10.932 5.977 ( 0.000 -11.003 -0.289) 11.007 6.284 ( 0.000 2.336 -0.668) 2.429 6.324 ( -0.000 3.119 6.041) 6.799 7.858 ( 0.000 0.478 -4.033) 4.061======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 2.464 0.887 -0.142) 2.623 1.159 ( 0.232 -0.719 -0.708) 1.035 1.332 ( 2.916 3.907 2.610) 5.530 2.075 ( 1.132 -5.611 2.762) 6.356 2.558 ( 11.724 3.581 0.974) 12.297 4.221 ( -0.440 5.686 -1.847) 5.995 5.416 ( 9.268 2.147 0.359) 9.520 5.662 ( 0.064 4.944 -8.601) 9.921 5.857 ( -2.407 -7.680 1.014) 8.112 6.272 ( -2.289 1.955 -0.761) 3.105 6.366 ( -0.326 0.231 3.848) 3.869 7.806 ( -5.097 1.289 -3.618) 6.382======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -0.938 0.737 -0.058) 1.194 1.219 ( 4.574 -0.083 -0.727) 4.632 1.416 ( 1.704 1.593 2.935) 3.749 2.055 ( 1.153 -3.672 -0.046) 3.849 2.862 ( 19.150 0.657 1.053) 19.190 4.214 ( -3.350 -0.086 -1.738) 3.775 5.572 ( 0.564 3.552 -5.671) 6.715 5.702 ( 4.389 1.477 -2.113) 5.090 5.817 ( 4.231 -0.746 4.709) 6.374 6.257 ( -0.257 1.417 -0.863) 1.679 6.339 ( -2.355 -2.612 2.148) 4.121 7.704 ( -7.476 2.895 -1.689) 8.193======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -0.867 1.039 0.397) 1.410 1.290 ( 4.352 -1.356 -0.823) 4.632 1.435 ( -0.493 -0.599 1.529) 1.714 2.035 ( -0.109 -1.438 -2.726) 3.084 3.190 ( 19.612 -5.952 -0.282) 20.497 4.099 ( -6.660 -2.548 -1.319) 7.252 5.524 ( -4.280 3.066 -4.465) 6.903 5.769 ( 0.719 -0.777 3.228) 3.398 5.951 ( 5.075 4.580 0.738) 6.876 6.247 ( -2.879 -6.147 0.815) 6.837 6.328 ( 6.146 1.700 -0.665) 6.411 7.614 ( -6.462 4.231 1.449) 7.859======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -0.000 0.392 0.576) 0.697 1.163 ( 0.000 0.794 -0.478) 0.927 1.366 ( -0.000 4.789 6.312) 7.923 2.028 ( -0.000 -3.212 2.152) 3.866 2.482 ( -0.000 1.118 1.940) 2.238 4.253 ( 0.000 1.045 -1.748) 2.036 5.357 ( -0.000 2.668 3.369) 4.297 5.696 ( 0.000 6.689 -9.830) 11.890 5.825 ( -0.000 -3.490 1.019) 3.636 6.273 ( 0.000 -1.876 -4.033) 4.448 6.400 ( -0.000 0.391 6.009) 6.022 7.851 ( 0.000 1.537 -3.944) 4.233======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 2.345 -0.270 0.297) 2.380 1.168 ( -0.272 1.193 -0.356) 1.275 1.435 ( 0.115 2.667 6.424) 6.956 2.022 ( 0.293 0.260 0.376) 0.543 2.591 ( 11.406 -1.665 2.144) 11.725 4.222 ( -1.170 -4.494 -1.813) 4.985 5.481 ( 8.437 2.947 3.164) 9.481 5.701 ( -2.080 3.599 -10.733) 11.509 5.827 ( 0.098 4.079 4.821) 6.316 6.232 ( 0.241 -3.553 -4.847) 6.014 6.392 ( -2.730 -0.917 5.914) 6.578 7.823 ( -3.848 2.591 -3.086) 5.572======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -0.604 0.737 0.010) 0.953 1.200 ( 3.455 -1.546 -0.497) 3.818 1.451 ( -1.196 -0.368 3.707) 3.913 2.035 ( -0.564 2.817 -1.777) 3.378 2.810 ( 16.264 -6.631 0.659) 17.576 4.113 ( -2.453 -8.552 -1.765) 9.070 5.615 ( -1.834 4.769 -5.739) 7.684 5.698 ( 5.534 -1.093 1.423) 5.818 5.934 ( 2.993 7.728 1.931) 8.510 6.187 ( 1.144 -5.132 -2.085) 5.656 6.344 ( -3.102 0.112 4.591) 5.542 7.764 ( -5.539 3.711 -0.525) 6.688======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -0.000 -0.378 0.606) 0.714 1.180 ( 0.000 0.716 -0.584) 0.924 1.485 ( -0.000 1.271 6.817) 6.934 2.057 ( -0.000 5.847 1.199) 5.969 2.464 ( -0.000 -4.528 2.345) 5.100 4.154 ( 0.000 -10.137 -1.880) 10.310 5.452 ( -0.000 3.438 5.517) 6.501 5.724 ( 0.000 4.897 -13.636) 14.489 5.901 ( -0.000 6.805 6.419) 9.355 6.166 ( 0.000 -4.995 -5.871) 7.708 6.425 ( -0.000 -1.551 6.680) 6.858 7.872 ( 0.000 3.105 -3.761) 4.877======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 1.569 -1.333 0.147) 2.064 1.177 ( -0.334 -0.197 -0.690) 0.791 1.486 ( -1.662 -1.239 3.679) 4.223 2.113 ( -2.379 7.751 1.041) 8.175 2.510 ( 10.142 -7.523 1.106) 12.675 4.011 ( -0.406 -15.261 -1.921) 15.387 5.555 ( 5.709 1.282 4.124) 7.158 5.719 ( -1.822 6.057 -11.746) 13.341 5.992 ( -0.273 6.206 2.799) 6.814 6.114 ( 1.677 -3.383 -1.288) 3.989 6.412 ( -2.365 -0.264 6.361) 6.792 7.870 ( -2.829 3.895 -2.643) 5.492======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 0.000 -1.710 -0.035) 1.710 1.170 ( 0.000 -1.348 -1.084) 1.730 1.489 ( -0.000 -2.842 1.077) 3.039 2.249 ( -0.000 10.284 2.257) 10.529 2.326 ( 0.000 -10.156 0.754) 10.184 3.817 ( 0.000 -21.677 -2.155) 21.783 5.530 ( -0.000 0.213 3.125) 3.132 5.754 ( 0.000 6.906 -14.267) 15.850 6.039 ( 0.000 -3.164 -3.317) 4.585 6.096 ( -0.000 6.101 8.208) 10.227 6.463 ( -0.000 2.639 6.728) 7.227 7.925 ( 0.000 4.376 -3.299) 5.480======================= 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 2.32e-04 2.00e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( -0.000 -0.000 17.437) 17.437 0.590 ( -0.000 -0.000 17.437) 17.437 1.002 ( -0.000 -0.000 33.187) 33.187 1.371 ( 0.000 0.000 -1.250) 1.250 1.371 ( 0.000 0.000 -1.250) 1.250 2.952 ( 0.000 0.000 -12.556) 12.556 5.152 ( -0.000 -0.000 3.703) 3.703 5.152 ( -0.000 -0.000 3.703) 3.703 6.301 ( 0.000 0.000 -2.754) 2.754 6.301 ( 0.000 0.000 -2.754) 2.754 7.614 ( -0.000 -0.000 0.826) 0.826 8.038 ( 0.000 0.000 -0.574) 0.574======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.568 ( 0.829 0.478 16.360) 16.388 0.661 ( -1.605 -0.926 19.268) 19.357 1.228 ( 6.289 3.631 12.882) 14.788 1.382 ( 2.379 1.373 -1.351) 3.061 1.620 ( 19.214 11.093 6.356) 23.078 2.633 ( -15.288 -8.827 -2.127) 17.781 5.156 ( 0.342 0.197 3.220) 3.244 5.505 ( 19.046 10.996 -8.284) 23.501 6.198 ( -6.477 -3.740 -3.421) 8.225 6.305 ( -0.469 -0.271 -2.483) 2.542 7.612 ( -2.194 -1.267 2.955) 3.893 7.970 ( -3.657 -2.111 -2.992) 5.175======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( 1.016 0.587 13.152) 13.204 0.713 ( 6.794 3.922 9.600) 12.398 1.360 ( 3.016 1.741 4.426) 5.632 1.479 ( 6.504 3.755 -0.600) 7.534 2.139 ( 21.474 12.398 1.694) 24.854 2.388 ( -4.430 -2.557 -1.143) 5.241 5.185 ( 1.341 0.774 2.121) 2.626 5.823 ( 9.718 5.611 -6.655) 13.046 6.001 ( -7.650 -4.417 -4.664) 9.989 6.270 ( -1.761 -1.016 -2.158) 2.965 7.484 ( -10.130 -5.848 7.014) 13.639 7.895 ( -1.510 -0.872 -7.473) 7.674======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.785 ( 3.269 1.888 4.244) 5.680 0.892 ( 6.089 3.515 3.727) 7.957 1.388 ( -1.375 -0.794 1.548) 2.217 1.684 ( 11.084 6.399 0.074) 12.799 2.291 ( 1.180 0.682 -5.937) 6.091 2.716 ( 22.924 13.235 1.943) 26.542 5.229 ( 1.987 1.147 0.492) 2.347 5.705 ( -11.045 -6.377 -1.600) 12.853 6.076 ( 8.808 5.085 -5.725) 11.671 6.220 ( -1.772 -1.023 -1.250) 2.398 7.207 ( -14.976 -8.647 4.349) 17.832 7.834 ( -2.055 -1.187 -5.801) 6.268======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( 7.130 4.116 -0.254) 8.237 1.011 ( 3.770 2.177 0.761) 4.419 1.325 ( -3.509 -2.026 -0.945) 4.160 1.969 ( 12.827 7.406 -0.500) 14.820 2.317 ( 1.558 0.900 -2.876) 3.393 3.253 ( 22.532 13.009 0.473) 26.022 5.278 ( 2.359 1.362 -1.539) 3.128 5.457 ( -9.340 -5.392 0.255) 10.787 6.188 ( -0.828 -0.478 0.644) 1.153 6.246 ( 7.055 4.073 -4.118) 9.128 6.834 ( -17.334 -10.008 -0.091) 20.016 7.768 ( -2.328 -1.344 -2.030) 3.369======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 2.253 1.301 -0.328) 2.623 1.092 ( 7.177 4.143 -0.491) 8.301 1.255 ( -0.505 -0.292 -3.374) 3.424 2.246 ( 10.881 6.282 -1.647) 12.672 2.311 ( -1.974 -1.140 -1.321) 2.635 3.736 ( 18.218 10.518 1.158) 21.068 5.306 ( -3.653 -2.109 3.674) 5.593 5.328 ( 2.732 1.577 -3.537) 4.740 6.184 ( -0.178 -0.103 3.153) 3.160 6.364 ( 1.993 1.151 -6.720) 7.103 6.438 ( -13.457 -7.770 -0.265) 15.542 7.722 ( -1.452 -0.838 1.717) 2.399======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 1.236 0.714 -0.655) 1.570 1.145 ( -0.399 -0.231 0.525) 0.699 1.362 ( 8.579 4.953 -6.536) 11.868 2.210 ( -5.998 -3.463 -1.483) 7.083 2.446 ( 6.600 3.810 -2.432) 7.999 4.076 ( 10.296 5.945 1.581) 11.994 5.323 ( 3.090 1.784 8.174) 8.919 5.383 ( 3.254 1.879 -4.901) 6.175 6.081 ( -11.031 -6.369 -5.354) 13.817 6.189 ( -0.890 -0.514 5.288) 5.387 6.459 ( 2.824 1.630 -2.768) 4.277 7.715 ( -0.004 -0.002 4.520) 4.520======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 0.385 0.222 -0.660) 0.796 1.151 ( 0.790 0.456 0.644) 1.116 1.513 ( 5.515 3.184 -7.758) 10.037 2.069 ( -4.099 -2.367 -1.696) 5.028 2.529 ( 1.212 0.700 -2.551) 2.910 4.214 ( 1.061 0.612 1.865) 2.231 5.446 ( 3.519 2.031 -5.451) 6.798 5.458 ( 4.553 2.629 11.836) 12.951 5.912 ( -1.375 -0.794 -5.816) 6.029 6.168 ( -2.671 -1.542 6.343) 7.053 6.493 ( 0.889 0.513 -3.298) 3.454 7.751 ( 1.681 0.971 5.767) 6.085======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -0.465 -0.268 -0.447) 0.699 1.173 ( 0.563 0.325 0.756) 0.997 1.542 ( -0.835 -0.482 -4.602) 4.702 2.076 ( 5.371 3.101 -2.550) 6.705 2.485 ( -4.266 -2.463 -1.984) 5.311 4.132 ( -8.866 -5.119 2.394) 10.514 5.505 ( 2.822 1.629 -5.111) 6.061 5.590 ( 3.936 2.272 13.579) 14.319 5.967 ( 6.590 3.805 -7.095) 10.404 6.108 ( -3.996 -2.307 5.917) 7.503 6.480 ( -0.704 -0.406 -4.589) 4.660 7.827 ( 3.216 1.857 5.338) 6.503======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -0.000 1.694 15.604) 15.696 0.842 ( -0.000 6.787 10.338) 12.367 1.272 ( -0.000 4.875 13.712) 14.553 1.438 ( -0.000 6.254 -0.866) 6.314 1.558 ( -0.000 17.568 9.656) 20.047 2.631 ( 0.000 -14.922 -5.377) 15.862 5.221 ( -0.000 3.092 3.524) 4.688 5.434 ( 0.000 18.430 -6.033) 19.393 6.221 ( 0.000 -4.079 -2.812) 4.955 6.275 ( 0.000 -2.227 -3.671) 4.294 7.610 ( -0.000 -3.475 2.945) 4.555 7.959 ( 0.000 -4.818 -2.828) 5.586======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( 2.403 7.457 8.851) 11.821 0.883 ( -4.460 6.476 10.135) 12.828 1.357 ( 1.148 3.216 6.354) 7.214 1.493 ( 0.195 9.884 -0.262) 9.889 1.965 ( 16.026 18.164 6.342) 25.040 2.435 ( -5.227 -6.177 -4.366) 9.195 5.236 ( -2.187 4.579 2.808) 5.800 5.687 ( 10.031 10.547 -6.530) 15.953 6.085 ( -7.680 -4.986 -2.963) 9.624 6.250 ( 0.667 -3.263 -3.803) 5.055 7.532 ( -3.396 -10.997 6.592) 13.264 7.895 ( -1.544 -0.787 -6.782) 7.000======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.675 6.301 3.499) 7.239 0.923 ( -1.127 6.840 6.806) 9.715 1.399 ( -0.290 -0.392 2.814) 2.856 1.651 ( 4.638 12.743 0.678) 13.577 2.282 ( -0.049 3.555 -6.097) 7.058 2.516 ( 17.284 15.564 2.775) 23.424 5.265 ( -1.233 5.310 1.951) 5.790 5.825 ( -7.570 -3.399 -1.066) 8.366 5.955 ( 6.410 4.112 -5.750) 9.542 6.208 ( -0.003 -3.380 -3.371) 4.773 7.313 ( -8.658 -14.803 5.624) 18.048 7.840 ( -2.112 -0.150 -6.772) 7.095======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 1.339 7.239 1.778) 7.573 1.008 ( 1.417 5.143 2.041) 5.712 1.356 ( -2.842 -2.666 -0.039) 3.897 1.901 ( 7.807 13.983 0.479) 16.022 2.305 ( 0.855 3.584 -2.369) 4.380 3.031 ( 20.283 17.432 0.068) 26.745 5.305 ( -1.123 5.561 0.571) 5.701 5.598 ( -11.081 -3.110 0.642) 11.527 6.128 ( 7.978 2.694 -4.794) 9.690 6.175 ( 1.131 -1.954 -1.335) 2.623 6.986 ( -12.994 -14.314 1.413) 19.384 7.772 ( -2.040 -2.407 -3.669) 4.839======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 4.278 7.310 2.024) 8.708 1.080 ( 1.437 4.222 -0.224) 4.465 1.273 ( -2.857 -1.943 -1.828) 3.909 2.172 ( 7.539 11.024 -1.059) 13.397 2.345 ( -0.710 4.544 0.029) 4.600 3.540 ( 18.766 14.681 0.700) 23.837 5.326 ( -1.884 2.402 -0.085) 3.054 5.434 ( -7.155 3.877 2.377) 8.477 6.160 ( 1.700 -2.942 0.332) 3.414 6.275 ( 5.889 1.297 -4.221) 7.360 6.610 ( -14.593 -10.327 -1.712) 17.959 7.711 ( -0.202 -4.026 -0.039) 4.032======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 0.486 2.646 0.064) 2.691 1.153 ( -0.246 0.422 1.267) 1.358 1.279 ( 4.685 5.749 -4.101) 8.475 2.251 ( -2.774 -2.675 -1.272) 4.058 2.456 ( 2.116 14.082 -1.246) 14.295 3.951 ( 13.260 9.228 1.749) 16.249 5.325 ( 0.510 2.121 4.606) 5.096 5.432 ( -2.627 8.512 -0.092) 8.909 6.112 ( -4.343 -9.064 1.009) 10.101 6.265 ( -3.924 -0.994 -4.730) 6.226 6.412 ( 0.790 0.526 -1.240) 1.561 7.692 ( 2.002 -3.807 3.056) 5.277======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 0.461 0.618 0.250) 0.811 1.149 ( -0.595 1.668 0.008) 1.771 1.420 ( 5.680 4.311 -5.794) 9.188 2.122 ( -5.905 -3.792 -1.553) 7.188 2.592 ( -1.683 11.963 -2.240) 12.287 4.180 ( 5.307 2.708 2.064) 6.305 5.418 ( 3.303 4.089 4.235) 6.750 5.495 ( 0.050 8.404 2.411) 8.743 5.914 ( -4.784 -5.764 -3.220) 8.154 6.229 ( -2.200 0.605 2.636) 3.486 6.442 ( 2.636 -1.398 -3.234) 4.400 7.721 ( 3.335 -2.335 4.660) 6.188======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -1.156 1.591 -0.325) 1.994 1.163 ( 1.061 0.490 0.507) 1.274 1.498 ( 2.653 0.140 -6.333) 6.868 2.029 ( 0.020 -0.617 -0.985) 1.163 2.612 ( -7.093 8.653 -2.165) 11.396 4.202 ( -3.234 -3.319 2.204) 5.131 5.510 ( 0.893 6.408 -1.746) 6.701 5.599 ( 1.794 3.353 9.169) 9.926 5.874 ( 4.221 1.321 -4.332) 6.191 6.186 ( -4.047 -0.658 4.167) 5.846 6.443 ( 1.328 -2.831 -4.470) 5.455 7.786 ( 4.183 -0.958 4.459) 6.188======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( -0.000 10.419 5.026) 11.568 0.983 ( -0.000 3.156 3.638) 4.816 1.407 ( -0.000 2.778 5.212) 5.906 1.604 ( -0.000 10.433 -1.293) 10.512 2.066 ( -0.000 25.343 8.745) 26.809 2.402 ( 0.000 -4.275 -7.028) 8.226 5.310 ( -0.000 3.804 1.164) 3.978 5.698 ( 0.000 11.685 -3.529) 12.206 6.119 ( 0.000 -4.287 -0.946) 4.390 6.164 ( 0.000 -5.488 -6.850) 8.777 7.446 ( -0.000 -16.139 7.575) 17.829 7.885 ( 0.000 0.917 -7.303) 7.360======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -0.582 8.557 0.679) 8.604 1.013 ( -0.581 3.182 2.577) 4.135 1.422 ( -1.367 -0.388 3.025) 3.342 1.731 ( 2.452 12.859 -0.865) 13.119 2.326 ( -1.464 4.103 -5.388) 6.929 2.463 ( 10.036 22.585 2.736) 24.865 5.344 ( -0.453 4.432 0.320) 4.467 5.838 ( 4.004 7.216 -1.439) 8.377 5.978 ( -6.765 -3.447 -2.905) 8.130 6.131 ( 2.011 -5.000 -4.974) 7.333 7.261 ( -3.383 -19.258 6.927) 20.744 7.859 ( -1.866 1.112 -7.099) 7.424======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 0.057 7.313 -1.303) 7.429 1.055 ( 0.291 4.167 1.726) 4.520 1.374 ( -2.510 -2.942 0.358) 3.884 1.938 ( 5.511 14.005 -0.567) 15.061 2.343 ( 0.297 5.341 -1.212) 5.485 2.924 ( 14.269 23.401 -0.424) 27.411 5.388 ( -0.527 5.016 0.297) 5.052 5.766 ( -9.578 -0.929 0.502) 9.636 6.014 ( 5.958 2.701 -3.964) 7.649 6.108 ( 2.558 -2.397 -3.113) 4.688 6.995 ( -6.737 -19.094 3.895) 20.619 7.787 ( -3.813 -1.360 -5.530) 6.854======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 2.676 8.079 1.434) 8.630 1.109 ( 0.515 4.106 0.414) 4.159 1.293 ( -2.746 -2.745 -1.496) 4.161 2.164 ( 5.537 9.558 -1.255) 11.117 2.434 ( 0.888 10.534 2.622) 10.892 3.402 ( 15.688 19.062 -0.607) 24.695 5.403 ( -2.804 2.950 -0.092) 4.071 5.633 ( -8.149 5.721 2.977) 10.392 6.060 ( 4.251 -4.160 -5.032) 7.791 6.194 ( 4.702 2.674 -0.368) 5.422 6.688 ( -8.811 -14.998 0.095) 17.395 7.679 ( -2.823 -4.565 -3.027) 6.162======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.252 1.793 0.365) 1.847 1.181 ( -0.411 2.572 2.859) 3.868 1.269 ( 2.342 5.367 -2.851) 6.513 2.258 ( -0.179 -0.094 -0.335) 0.391 2.609 ( 0.793 18.538 1.294) 18.600 3.821 ( 13.721 11.919 0.801) 18.193 5.381 ( -2.121 3.174 2.290) 4.452 5.605 ( -5.600 8.859 2.702) 10.823 6.069 ( 1.976 -5.765 -0.821) 6.149 6.238 ( -0.462 -1.885 -2.630) 3.269 6.452 ( -4.455 -3.530 -2.580) 6.241 7.605 ( 1.604 -6.243 0.087) 6.447======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -0.134 -0.764 0.260) 0.818 1.200 ( -1.257 3.837 0.884) 4.133 1.381 ( 3.160 5.181 -2.253) 6.474 2.181 ( -5.282 -3.487 -0.382) 6.340 2.793 ( -2.833 19.485 -0.667) 19.701 4.100 ( 8.324 3.712 1.825) 9.296 5.430 ( 1.690 4.208 4.723) 6.547 5.620 ( -2.819 7.650 2.072) 8.412 5.955 ( -6.247 -4.540 -0.197) 7.725 6.228 ( 2.323 -0.052 -3.183) 3.941 6.402 ( -1.018 -0.595 -2.059) 2.372 7.615 ( 5.408 -5.247 2.284) 7.874======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 1.169 -0.176 0.119) 1.188 1.212 ( -2.108 3.693 0.573) 4.290 1.448 ( 1.733 1.484 -3.654) 4.308 2.054 ( -4.252 -2.281 0.264) 4.833 2.874 ( -8.589 16.409 -1.323) 18.568 4.194 ( 1.497 -2.872 2.176) 3.902 5.518 ( 3.090 1.092 5.359) 6.282 5.684 ( -0.469 7.683 1.392) 7.822 5.852 ( -2.415 2.453 -2.143) 4.055 6.247 ( -1.355 0.918 0.568) 1.733 6.366 ( 0.863 -3.881 -3.129) 5.060 7.684 ( 6.249 -3.537 2.312) 7.543======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -0.000 7.416 -1.202) 7.513 1.039 ( -0.000 1.707 0.105) 1.710 1.433 ( -0.000 -2.265 1.036) 2.491 1.817 ( -0.000 11.769 -2.780) 12.093 2.330 ( 0.000 0.953 -6.678) 6.746 2.673 ( -0.000 30.347 2.788) 30.475 5.366 ( 0.000 1.833 -2.869) 3.404 5.888 ( -0.000 8.425 1.229) 8.514 5.973 ( 0.000 -7.425 -10.548) 12.899 6.066 ( -0.000 -0.814 2.482) 2.612 7.107 ( -0.000 -21.452 7.237) 22.640 7.870 ( 0.000 1.594 -6.641) 6.830======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -0.744 4.865 -2.846) 5.685 1.079 ( 1.271 3.435 -0.652) 3.720 1.381 ( -1.938 -3.773 -0.953) 4.347 1.971 ( 4.564 11.844 -2.366) 12.912 2.348 ( 2.802 2.148 -3.126) 4.716 3.028 ( 4.910 29.274 0.053) 29.683 5.394 ( 2.665 1.290 -3.051) 4.251 5.851 ( -1.931 -5.049 -8.810) 10.336 5.972 ( -0.022 4.347 1.096) 4.484 6.076 ( 0.267 2.660 1.999) 3.338 6.885 ( -2.818 -21.631 5.897) 22.597 7.832 ( -3.517 0.310 -5.924) 6.896======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 2.857 5.385 -0.398) 6.110 1.135 ( 1.121 4.126 -0.737) 4.338 1.301 ( -2.177 -3.339 -2.007) 4.463 2.158 ( 4.662 7.872 -0.915) 9.195 2.472 ( 6.997 7.231 0.661) 10.084 3.410 ( 7.756 24.275 -1.060) 25.506 5.443 ( 1.233 1.571 -2.319) 3.060 5.780 ( -0.644 0.687 -3.888) 4.000 5.961 ( -1.509 -0.685 -1.569) 2.282 6.164 ( 3.250 5.049 1.542) 6.200 6.629 ( -4.276 -18.952 3.770) 19.791 7.716 ( -6.375 -2.075 -5.049) 8.393======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.204 0.214 0.077) 0.306 1.213 ( 1.155 2.478 2.368) 3.617 1.273 ( 2.229 4.865 -2.895) 6.084 2.253 ( 1.229 0.638 0.815) 1.607 2.729 ( 7.899 15.392 1.267) 17.347 3.756 ( 8.509 15.643 -0.372) 17.812 5.449 ( -1.255 2.751 -1.469) 3.361 5.782 ( -4.053 4.471 2.681) 6.604 5.941 ( 3.288 -3.722 -4.332) 6.590 6.262 ( 0.713 3.695 1.964) 4.245 6.420 ( -1.176 -10.666 -0.042) 10.731 7.564 ( -4.703 -4.303 -3.184) 7.126======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -0.749 -1.349 0.010) 1.543 1.255 ( 0.135 3.568 0.697) 3.638 1.379 ( 2.617 4.730 -0.539) 5.433 2.223 ( -3.068 -3.236 0.653) 4.506 3.016 ( 2.858 20.412 0.667) 20.622 3.996 ( 7.180 4.420 0.588) 8.452 5.467 ( -0.186 3.039 0.973) 3.197 5.738 ( -4.494 2.037 3.869) 6.270 5.944 ( 2.547 -4.692 -3.387) 6.322 6.252 ( -3.610 4.186 2.945) 6.263 6.398 ( 1.505 -0.568 -4.193) 4.491 7.484 ( 2.144 -4.967 -0.376) 5.423======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 0.575 -0.510 -0.046) 0.769 1.288 ( -1.217 4.074 0.818) 4.330 1.437 ( 0.789 1.356 -1.194) 1.971 2.112 ( -4.903 -3.406 0.708) 6.012 3.202 ( -6.386 20.644 -0.017) 21.609 4.101 ( 5.134 -4.855 1.289) 7.183 5.487 ( 1.120 -1.708 2.693) 3.379 5.740 ( -0.301 4.535 2.564) 5.219 5.922 ( -0.164 -0.577 -2.436) 2.508 6.276 ( -0.665 5.055 1.623) 5.351 6.361 ( -3.465 -0.747 -3.318) 4.856 7.527 ( 6.938 -3.958 0.463) 8.001======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 0.000 1.374 -1.038) 1.722 1.095 ( 0.000 4.862 -4.704) 6.765 1.349 ( 0.000 -4.760 -2.658) 5.452 2.034 ( -0.000 11.578 -2.920) 11.940 2.310 ( 0.000 -0.743 -2.352) 2.467 3.289 ( -0.000 29.325 -0.913) 29.339 5.347 ( 0.000 -0.746 -4.474) 4.535 5.751 ( 0.000 -6.330 -12.973) 14.435 6.060 ( -0.000 6.947 3.804) 7.920 6.119 ( -0.000 3.477 3.557) 4.974 6.708 ( -0.000 -21.868 6.072) 22.696 7.855 ( 0.000 0.801 -5.458) 5.516======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 1.853 2.436 -0.855) 3.178 1.146 ( 1.891 4.548 -3.056) 5.796 1.282 ( -0.954 -4.260 -3.041) 5.320 2.167 ( 2.602 7.773 -0.645) 8.223 2.363 ( 8.341 1.194 -0.862) 8.470 3.582 ( 2.064 25.405 -1.693) 25.544 5.378 ( 5.031 0.023 -3.404) 6.074 5.674 ( 2.646 -4.105 -12.362) 13.292 6.083 ( -5.207 5.076 3.756) 8.185 6.182 ( 0.998 3.577 2.319) 4.378 6.503 ( -1.422 -18.660 5.628) 19.542 7.798 ( -5.165 0.045 -5.156) 7.298======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 1.647 0.749 -0.361) 1.845 1.210 ( 0.785 -0.278 1.191) 1.453 1.262 ( 3.482 4.602 -3.297) 6.646 2.234 ( 1.363 -0.702 1.979) 2.503 2.631 ( 15.504 8.521 -0.793) 17.709 3.842 ( 2.315 18.595 -1.171) 18.775 5.452 ( 2.596 2.059 -4.352) 5.470 5.707 ( 7.870 -1.996 -7.469) 11.033 6.017 ( -7.913 2.118 3.591) 8.944 6.213 ( 3.576 -4.598 -0.015) 5.825 6.371 ( -1.377 -4.868 5.610) 7.554 7.654 ( -8.584 -0.605 -4.529) 9.724======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -1.004 -1.317 -0.286) 1.680 1.259 ( 2.698 2.061 -0.260) 3.405 1.376 ( 3.004 4.335 0.151) 5.276 2.221 ( -0.603 -4.289 1.172) 4.487 3.020 ( 16.096 12.515 -0.062) 20.389 4.001 ( -0.217 8.747 -0.452) 8.761 5.487 ( 0.488 2.113 -3.135) 3.812 5.774 ( 3.331 -2.745 -3.111) 5.321 5.910 ( -5.211 -0.232 3.148) 6.092 6.280 ( 8.290 -1.820 -2.448) 8.833 6.354 ( -1.868 1.434 4.726) 5.280 7.494 ( -6.776 -0.271 -2.396) 7.192======================= 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 2.32e-04 2.00e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -0.222 -0.385 -0.000) 0.445 1.324 ( 1.690 2.928 -0.000) 3.381 1.434 ( 0.535 0.926 -0.000) 1.069 2.142 ( -2.818 -4.882 -0.000) 5.637 3.400 ( 9.460 16.386 -0.000) 18.921 4.000 ( -2.174 -3.765 -0.000) 4.348 5.472 ( -1.209 -2.094 -0.000) 2.418 5.821 ( 2.633 4.561 -0.000) 5.267 5.845 ( -1.560 -2.702 0.000) 3.120 6.324 ( -1.201 -2.080 -0.000) 2.402 6.407 ( 2.461 4.263 0.000) 4.923 7.430 ( 0.160 0.277 -0.000) 0.319======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 0.000 1.298 -0.626) 1.441 1.159 ( 0.000 4.960 -3.885) 6.300 1.236 ( 0.000 -4.214 -2.551) 4.926 2.239 ( -0.000 9.994 -1.221) 10.069 2.256 ( -0.000 -4.594 2.043) 5.028 3.800 ( -0.000 21.932 -2.561) 22.081 5.308 ( 0.000 -0.353 -2.239) 2.267 5.581 ( 0.000 -1.420 -13.257) 13.333 6.184 ( -0.000 -0.696 2.992) 3.072 6.217 ( -0.000 3.960 1.100) 4.110 6.359 ( -0.000 -12.564 6.236) 14.026 7.834 ( 0.000 0.494 -4.925) 4.950======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( 2.487 1.316 -0.225) 2.822 1.189 ( -0.216 -2.817 -1.422) 3.163 1.237 ( 3.625 5.702 -0.909) 6.818 2.205 ( 0.125 -4.368 3.086) 5.349 2.446 ( 12.010 6.962 -0.286) 13.885 3.993 ( 0.668 16.310 -2.320) 16.488 5.375 ( 6.621 1.612 -1.569) 6.993 5.562 ( 3.018 1.040 -11.276) 11.719 6.085 ( -2.772 -12.915 2.143) 13.382 6.207 ( -3.746 4.269 2.211) 6.095 6.361 ( 1.503 0.300 3.938) 4.226 7.772 ( -5.648 0.672 -4.704) 7.381======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( -0.783 -0.588 -0.494) 1.097 1.209 ( 3.998 0.622 -0.851) 4.134 1.363 ( 3.626 4.473 1.383) 5.922 2.171 ( 0.636 -6.052 1.773) 6.338 2.788 ( 18.791 6.615 0.296) 19.923 4.117 ( -1.310 9.325 -1.634) 9.557 5.480 ( 2.202 3.792 -5.343) 6.912 5.652 ( 7.441 0.788 -4.451) 8.706 5.941 ( -0.344 -8.502 2.779) 8.951 6.203 ( -1.077 3.212 2.016) 3.942 6.381 ( -0.308 -0.721 2.316) 2.445 7.642 ( -8.476 2.025 -3.301) 9.319======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -0.000 1.062 0.259) 1.093 1.164 ( 0.000 -1.404 -1.340) 1.941 1.267 ( -0.000 6.384 2.553) 6.875 2.155 ( -0.000 -6.988 3.718) 7.916 2.409 ( -0.000 6.592 1.098) 6.683 4.120 ( -0.000 11.521 -2.589) 11.808 5.319 ( -0.000 1.787 1.509) 2.339 5.536 ( 0.000 4.894 -12.274) 13.214 5.990 ( 0.000 -11.919 2.837) 12.251 6.268 ( 0.000 1.193 -2.540) 2.806 6.382 ( -0.000 2.833 5.399) 6.097 7.813 ( 0.000 0.781 -5.000) 5.061======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 1.657 0.942 -0.121) 1.910 1.152 ( 0.712 -0.260 -0.526) 0.923 1.368 ( 2.133 5.720 4.651) 7.675 2.102 ( 0.469 -6.509 2.501) 6.989 2.572 ( 11.507 4.162 1.784) 12.366 4.201 ( -0.306 5.894 -2.193) 6.296 5.424 ( 7.036 3.290 1.028) 7.835 5.567 ( 2.009 5.551 -9.973) 11.590 5.880 ( -1.638 -7.560 3.338) 8.425 6.255 ( -0.642 0.025 -2.456) 2.539 6.406 ( -1.788 1.028 4.081) 4.573 7.766 ( -4.537 1.753 -4.486) 6.617======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -0.000 0.467 0.691) 0.834 1.157 ( 0.000 0.931 -0.631) 1.125 1.436 ( -0.000 6.118 7.778) 9.896 2.050 ( -0.000 -4.302 2.242) 4.851 2.504 ( -0.000 1.397 2.481) 2.847 4.234 ( 0.000 1.274 -2.043) 2.407 5.396 ( -0.000 3.609 4.681) 5.911 5.580 ( 0.000 6.075 -12.852) 14.215 5.858 ( -0.000 -2.291 4.852) 5.365 6.226 ( 0.000 -2.626 -5.539) 6.130 6.454 ( -0.000 0.787 4.837) 4.900 7.806 ( 0.000 1.929 -5.273) 5.615======================= 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 2.32e-04 2.00e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.746 ( -0.000 -0.000 14.475) 14.475 0.746 ( -0.000 -0.000 14.475) 14.475 1.320 ( -0.000 -0.000 31.873) 31.873 1.357 ( 0.000 0.000 -1.709) 1.709 1.357 ( 0.000 0.000 -1.709) 1.709 2.811 ( 0.000 0.000 -16.315) 16.315 5.190 ( -0.000 -0.000 3.920) 3.920 5.190 ( -0.000 -0.000 3.920) 3.920 6.273 ( 0.000 0.000 -2.954) 2.954 6.273 ( 0.000 0.000 -2.954) 2.954 7.623 ( -0.000 -0.000 0.850) 0.850 8.032 ( 0.000 0.000 -0.598) 0.598======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( -0.461 -0.266 14.993) 15.002 0.829 ( -0.768 -0.443 14.756) 14.783 1.327 ( 1.447 0.835 7.301) 7.490 1.369 ( 2.685 1.550 -1.116) 3.295 1.708 ( 17.658 10.195 11.920) 23.618 2.575 ( -11.582 -6.687 -9.360) 16.324 5.190 ( -0.001 -0.001 3.713) 3.713 5.448 ( 15.645 9.032 -3.941) 18.490 6.169 ( -6.550 -3.782 -2.453) 7.951 6.277 ( -0.371 -0.214 -3.216) 3.244 7.637 ( -0.139 -0.080 2.257) 2.263 7.945 ( -5.916 -3.416 -2.239) 7.189======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 3.883 2.242 10.259) 11.196 0.841 ( -1.919 -1.108 12.656) 12.849 1.398 ( 1.870 1.080 3.522) 4.131 1.478 ( 6.922 3.996 0.517) 8.009 2.138 ( 14.480 8.360 -1.272) 16.769 2.379 ( 0.440 0.254 -0.982) 1.105 5.210 ( 0.727 0.420 3.022) 3.136 5.761 ( 11.845 6.839 -5.732) 14.830 5.971 ( -9.070 -5.237 -1.612) 10.596 6.243 ( -1.447 -0.835 -3.295) 3.694 7.548 ( -10.146 -5.858 6.142) 13.228 7.825 ( -1.809 -1.044 -6.948) 7.255======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 0.178 0.103 6.971) 6.974 0.933 ( 4.033 2.329 4.589) 6.538 1.400 ( -2.326 -1.343 1.017) 2.872 1.692 ( 10.920 6.305 1.556) 12.705 2.241 ( 2.490 1.438 -4.083) 4.994 2.730 ( 21.745 12.554 0.997) 25.129 5.240 ( 1.097 0.634 1.889) 2.275 5.703 ( -10.715 -6.186 1.332) 12.444 6.022 ( 9.570 5.525 -5.316) 12.262 6.201 ( -1.016 -0.587 -2.593) 2.846 7.238 ( -16.591 -9.579 1.921) 19.254 7.787 ( -0.759 -0.438 -3.599) 3.704======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 5.598 3.232 3.583) 7.391 1.022 ( 2.857 1.649 1.376) 3.574 1.319 ( -4.187 -2.417 -0.375) 4.849 1.970 ( 12.123 6.999 0.750) 14.018 2.295 ( 2.149 1.241 -1.611) 2.959 3.259 ( 22.759 13.140 0.841) 26.293 5.271 ( 1.263 0.729 0.225) 1.475 5.479 ( -8.611 -4.972 4.205) 10.796 6.188 ( 0.368 0.212 -0.700) 0.818 6.201 ( 7.133 4.118 -5.027) 9.650 6.826 ( -18.378 -10.610 -1.685) 21.288 7.759 ( -1.043 -0.602 0.310) 1.244======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 1.900 1.097 0.023) 2.194 1.095 ( 7.100 4.099 1.346) 8.308 1.232 ( -2.186 -1.262 -1.516) 2.944 2.234 ( 10.222 5.902 -0.775) 11.828 2.296 ( -2.041 -1.178 -1.831) 2.985 3.752 ( 18.438 10.645 2.059) 21.390 5.302 ( 1.709 0.987 -1.684) 2.595 5.363 ( -2.521 -1.455 8.026) 8.537 6.209 ( 1.073 0.620 1.881) 2.252 6.292 ( -1.458 -0.842 -7.370) 7.560 6.433 ( -10.392 -6.000 -1.376) 12.078 7.747 ( -0.423 -0.244 3.460) 3.495======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 1.121 0.647 -0.519) 1.395 1.153 ( -0.674 -0.389 0.998) 1.266 1.305 ( 7.322 4.227 -5.079) 9.863 2.188 ( -6.001 -3.465 -2.922) 7.520 2.424 ( 6.249 3.608 -1.954) 7.475 4.095 ( 10.185 5.880 2.314) 11.986 5.343 ( 2.517 1.453 -3.358) 4.441 5.419 ( 4.091 2.362 11.279) 12.229 6.029 ( -10.769 -6.218 -4.976) 13.394 6.235 ( 0.025 0.014 4.142) 4.142 6.427 ( 2.594 1.497 -3.917) 4.930 7.763 ( 0.533 0.308 5.216) 5.252======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( -0.000 -1.736 15.778) 15.873 0.927 ( -0.000 4.135 7.078) 8.198 1.347 ( -0.000 3.129 3.214) 4.485 1.424 ( 0.000 6.586 -1.875) 6.848 1.707 ( -0.000 14.932 19.292) 24.396 2.545 ( 0.000 -11.274 -12.007) 16.470 5.252 ( -0.000 2.518 2.641) 3.649 5.397 ( -0.000 15.298 -1.924) 15.418 6.198 ( 0.000 -3.712 -1.788) 4.120 6.237 ( 0.000 -3.141 -4.027) 5.107 7.636 ( -0.000 -0.869 2.349) 2.505 7.936 ( 0.000 -7.445 -2.033) 7.718======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.800 ( 1.218 2.086 11.109) 11.368 0.961 ( -2.035 3.190 5.880) 6.992 1.404 ( 0.786 2.899 3.344) 4.495 1.493 ( 0.766 9.904 0.168) 9.935 2.032 ( 10.693 15.427 7.485) 20.208 2.376 ( -2.648 -4.945 -7.421) 9.303 5.262 ( -1.862 3.813 2.399) 4.875 5.635 ( 9.290 11.232 -4.158) 15.157 6.065 ( -7.589 -5.073 -1.178) 9.204 6.211 ( 1.055 -3.909 -4.083) 5.750 7.595 ( -2.912 -9.424 6.254) 11.679 7.831 ( -2.464 -2.392 -6.337) 7.208======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 0.521 2.001 4.625) 5.066 0.981 ( -1.278 4.285 4.804) 6.563 1.422 ( -1.303 -1.013 1.831) 2.466 1.662 ( 5.007 12.486 1.553) 13.542 2.233 ( 0.377 4.737 -3.704) 6.025 2.535 ( 16.471 14.438 1.057) 21.929 5.286 ( -1.337 4.689 2.302) 5.392 5.824 ( -5.423 -1.918 0.776) 5.805 5.907 ( 4.654 3.776 -3.914) 7.158 6.171 ( 0.767 -3.757 -4.103) 5.616 7.359 ( -10.349 -15.289 3.644) 18.818 7.783 ( -0.971 0.164 -4.798) 4.898======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( 2.149 5.338 2.834) 6.414 1.032 ( 0.391 4.040 2.632) 4.838 1.357 ( -3.462 -3.225 0.251) 4.738 1.910 ( 7.543 13.092 1.290) 15.164 2.292 ( 1.189 5.161 -0.331) 5.306 3.031 ( 20.547 17.036 -0.019) 26.691 5.316 ( -1.770 5.047 1.649) 5.596 5.621 ( -10.319 -2.963 4.082) 11.486 6.081 ( 7.574 2.342 -4.864) 9.301 6.157 ( 2.615 -0.990 -2.377) 3.670 6.990 ( -14.670 -14.535 -0.637) 20.661 7.748 ( -0.424 -2.503 -1.062) 2.752======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 4.424 7.661 2.518) 9.198 1.083 ( 0.447 3.369 1.272) 3.628 1.261 ( -3.390 -2.786 -0.523) 4.419 2.165 ( 6.984 9.741 -0.492) 11.996 2.348 ( -1.460 6.212 0.522) 6.403 3.551 ( 19.500 14.560 1.324) 24.372 5.332 ( -1.828 3.711 1.246) 4.320 5.478 ( -7.039 2.361 6.649) 9.966 6.151 ( 4.485 -2.735 -2.092) 5.654 6.236 ( 3.715 1.628 -3.680) 5.477 6.588 ( -14.853 -10.345 -2.915) 18.334 7.722 ( 1.341 -4.292 2.207) 5.009======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 0.070 2.715 0.209) 2.724 1.170 ( -1.343 -0.230 2.108) 2.510 1.247 ( 3.965 5.997 -2.417) 7.584 2.232 ( -3.179 -2.155 -2.414) 4.536 2.447 ( 0.982 14.028 -0.536) 14.072 3.970 ( 13.534 9.062 2.262) 16.444 5.360 ( 0.166 4.536 2.064) 4.987 5.466 ( -2.167 5.906 7.456) 9.756 6.107 ( -7.977 -9.255 -1.843) 12.357 6.229 ( 1.991 -0.510 -2.671) 3.370 6.393 ( -0.313 0.682 -2.638) 2.743 7.728 ( 3.052 -4.226 4.255) 6.729======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( -0.000 5.033 7.582) 9.100 1.007 ( -0.000 1.707 1.209) 2.092 1.441 ( -0.000 2.583 2.211) 3.400 1.583 ( 0.000 10.255 -2.873) 10.650 2.157 ( -0.000 20.686 9.447) 22.741 2.321 ( 0.000 -2.952 -9.093) 9.560 5.313 ( -0.000 2.540 -0.534) 2.595 5.674 ( -0.000 13.003 -1.441) 13.083 6.097 ( 0.000 -7.211 -6.671) 9.823 6.119 ( -0.000 -3.364 1.007) 3.511 7.519 ( -0.000 -15.560 7.240) 17.162 7.817 ( 0.000 0.382 -6.563) 6.574======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -1.391 4.511 1.407) 4.926 1.028 ( 0.414 2.135 0.677) 2.278 1.441 ( -1.517 -1.384 0.985) 2.277 1.719 ( 3.766 12.126 -1.718) 12.813 2.273 ( 0.062 3.372 -5.136) 6.144 2.492 ( 8.303 22.369 3.038) 24.053 5.341 ( 0.759 3.047 -0.849) 3.253 5.829 ( 3.866 9.417 -0.369) 10.186 5.947 ( -5.212 -5.959 -3.623) 8.706 6.097 ( 0.385 -3.730 -1.606) 4.079 7.324 ( -4.410 -19.480 5.652) 20.757 7.797 ( -1.497 1.314 -5.463) 5.815======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 1.158 6.139 -1.092) 6.342 1.069 ( 0.759 3.042 0.984) 3.286 1.376 ( -2.726 -3.823 0.114) 4.697 1.933 ( 6.133 12.928 -0.491) 14.317 2.336 ( 2.029 6.594 -0.330) 6.907 2.921 ( 13.683 22.847 -0.239) 26.633 5.390 ( 0.341 3.811 0.140) 3.829 5.777 ( -7.529 -1.916 1.425) 7.899 5.976 ( 4.358 1.447 -3.439) 5.737 6.084 ( 2.884 0.562 -1.596) 3.344 7.026 ( -8.596 -18.905 2.253) 20.890 7.744 ( -2.701 -1.710 -3.147) 4.486======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 3.920 8.542 0.689) 9.424 1.117 ( 0.706 3.229 1.081) 3.477 1.284 ( -3.051 -3.688 -0.290) 4.795 2.155 ( 5.412 9.264 -0.623) 10.747 2.457 ( 1.241 11.071 2.010) 11.321 3.399 ( 16.299 18.897 -0.025) 24.956 5.408 ( -1.921 2.302 1.070) 3.184 5.673 ( -7.224 5.055 5.103) 10.187 6.010 ( 5.144 -4.123 -4.888) 8.207 6.188 ( 4.073 3.763 -0.867) 5.613 6.682 ( -10.813 -14.677 -1.299) 18.277 7.664 ( -1.123 -5.415 -0.146) 5.532======================= 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 2.32e-04 2.00e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -0.289 1.651 0.400) 1.723 1.208 ( -1.782 0.124 2.130) 2.780 1.248 ( 3.463 7.218 -0.987) 8.066 2.250 ( -0.519 0.767 -1.284) 1.583 2.621 ( -0.163 18.160 1.186) 18.200 3.831 ( 14.440 11.688 1.109) 18.611 5.412 ( -0.527 2.884 3.836) 4.828 5.644 ( -6.106 7.952 5.321) 11.350 6.050 ( 4.873 -5.775 -2.867) 8.082 6.219 ( -3.952 -0.451 -1.263) 4.174 6.419 ( -4.074 -3.686 -4.171) 6.897 7.618 ( 3.085 -7.169 2.612) 8.230======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 0.000 4.433 -1.738) 4.762 1.033 ( 0.000 1.349 -1.370) 1.923 1.434 ( 0.000 -3.538 -0.677) 3.603 1.785 ( 0.000 11.805 -3.729) 12.380 2.269 ( 0.000 2.538 -5.634) 6.179 2.700 ( -0.000 27.837 2.685) 27.967 5.334 ( 0.000 0.761 -3.664) 3.742 5.870 ( 0.000 -6.926 -8.917) 11.291 5.909 ( -0.000 7.639 1.721) 7.830 6.097 ( -0.000 -0.133 3.609) 3.611 7.172 ( -0.000 -21.666 5.940) 22.466 7.813 ( 0.000 1.739 -5.035) 5.327======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -0.305 4.956 -4.010) 6.383 1.071 ( 1.968 2.260 -1.177) 3.220 1.371 ( -1.625 -4.768 -1.088) 5.153 1.947 ( 5.401 11.999 -2.372) 13.371 2.319 ( 4.159 3.365 -2.652) 5.971 3.029 ( 4.448 28.014 0.164) 28.366 5.364 ( 3.785 0.652 -3.003) 4.875 5.759 ( 0.891 -7.653 -9.329) 12.099 5.996 ( -1.632 5.836 3.422) 6.959 6.101 ( -0.930 3.434 2.900) 4.590 6.937 ( -3.640 -21.552 4.625) 22.341 7.782 ( -3.267 0.162 -4.238) 5.354======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 4.324 7.017 -0.796) 8.280 1.127 ( 1.745 3.151 -0.933) 3.721 1.287 ( -2.059 -4.386 -0.867) 4.922 2.153 ( 5.044 8.759 -0.165) 10.109 2.471 ( 8.304 6.989 -0.794) 10.882 3.402 ( 7.894 23.988 -0.569) 25.260 5.423 ( 2.017 0.423 -1.824) 2.752 5.729 ( 5.122 -2.416 -6.018) 8.264 5.970 ( -5.145 1.846 2.950) 6.211 6.177 ( 2.344 5.364 1.275) 5.991 6.662 ( -5.821 -18.039 2.807) 19.162 7.677 ( -5.501 -2.717 -2.785) 6.738======================= 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 2.32e-04 2.00e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.017 -0.030 -0.000) 0.035 1.230 ( -0.209 -0.362 -0.000) 0.418 1.254 ( 4.362 7.555 0.000) 8.724 2.257 ( 0.834 1.444 -0.000) 1.668 2.735 ( 8.542 14.795 -0.000) 17.084 3.754 ( 8.972 15.540 -0.000) 17.944 5.442 ( 0.768 1.330 -0.000) 1.536 5.798 ( 1.090 1.888 -0.000) 2.180 5.916 ( -0.770 -1.334 -0.000) 1.540 6.272 ( 2.297 3.978 -0.000) 4.594 6.421 ( -5.422 -9.391 -0.000) 10.843 7.548 ( -3.057 -5.295 -0.000) 6.114======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 0.000 4.685 -6.495) 8.008 1.052 ( 0.000 1.639 -1.473) 2.204 1.328 ( 0.000 -5.353 -1.558) 5.575 2.006 ( -0.000 12.212 -2.692) 12.506 2.292 ( 0.000 1.113 -1.244) 1.669 3.279 ( -0.000 28.121 -1.075) 28.141 5.308 ( 0.000 -0.410 -3.427) 3.452 5.633 ( 0.000 -7.472 -11.131) 13.406 6.102 ( -0.000 7.276 4.739) 8.683 6.151 ( -0.000 2.824 2.907) 4.053 6.762 ( 0.000 -21.936 4.827) 22.461 7.807 ( 0.000 0.693 -4.312) 4.368======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 2.515 4.082 -1.000) 4.898 1.111 ( 3.261 4.416 -3.815) 6.685 1.263 ( -0.952 -4.743 -0.976) 4.936 2.163 ( 3.814 9.484 -0.105) 10.223 2.355 ( 7.556 1.573 -0.836) 7.763 3.565 ( 2.411 24.820 -1.684) 24.994 5.349 ( 4.905 0.255 -2.352) 5.446 5.562 ( 4.033 -4.631 -10.319) 12.008 6.121 ( -5.273 4.437 3.831) 7.885 6.206 ( 0.547 3.008 2.606) 4.017 6.552 ( -1.515 -18.240 4.371) 18.817 7.752 ( -4.989 -0.193 -4.035) 6.420======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -0.000 1.717 -0.374) 1.758 1.120 ( 0.000 6.789 -3.537) 7.655 1.225 ( 0.000 -3.708 -0.093) 3.709 2.232 ( -0.000 10.889 -0.256) 10.892 2.276 ( -0.000 -3.201 2.090) 3.823 3.775 ( -0.000 21.613 -2.574) 21.766 5.296 ( 0.000 0.768 -0.310) 0.829 5.459 ( 0.000 -1.835 -11.460) 11.606 6.221 ( -0.000 2.678 -0.426) 2.711 6.227 ( -0.000 -2.175 5.769) 6.166 6.408 ( -0.000 -11.573 3.733) 12.160 7.787 ( 0.000 0.283 -4.548) 4.557======================= 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 2.32e-04 2.00e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( -0.000 -0.000 10.772) 10.772 0.869 ( -0.000 -0.000 10.772) 10.772 1.339 ( 0.000 0.000 -1.968) 1.968 1.339 ( 0.000 0.000 -1.968) 1.968 1.622 ( -0.000 -0.000 30.076) 30.076 2.635 ( 0.000 0.000 -19.670) 19.670 5.226 ( -0.000 -0.000 3.330) 3.330 5.226 ( -0.000 -0.000 3.330) 3.330 6.246 ( 0.000 0.000 -2.542) 2.542 6.246 ( 0.000 0.000 -2.542) 2.542 7.630 ( -0.000 -0.000 0.700) 0.700 8.026 ( 0.000 0.000 -0.498) 0.498======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -0.750 -0.433 11.726) 11.758 0.943 ( 0.350 0.202 8.390) 8.399 1.361 ( 3.329 1.922 -0.449) 3.871 1.371 ( 2.172 1.254 2.038) 3.232 1.851 ( 10.552 6.092 17.022) 20.934 2.458 ( -7.359 -4.249 -14.203) 16.552 5.226 ( -0.073 -0.042 3.483) 3.484 5.421 ( 12.760 7.367 -1.923) 14.859 6.152 ( -6.151 -3.551 -0.936) 7.164 6.245 ( -0.565 -0.326 -3.339) 3.402 7.655 ( 1.376 0.794 1.505) 2.188 7.926 ( -7.681 -4.435 -1.560) 9.005======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 1.873 1.081 8.424) 8.697 0.940 ( -2.569 -1.483 7.048) 7.647 1.429 ( 1.054 0.609 2.751) 3.008 1.490 ( 7.542 4.354 1.945) 8.923 2.129 ( 7.511 4.336 0.164) 8.674 2.362 ( 6.397 3.694 -2.730) 7.876 5.242 ( 0.441 0.255 3.396) 3.434 5.713 ( 12.304 7.104 -4.053) 14.775 5.968 ( -9.152 -5.284 1.144) 10.630 6.207 ( -1.365 -0.788 -3.875) 4.183 7.603 ( -11.538 -6.661 4.740) 14.140 7.762 ( -0.821 -0.474 -5.751) 5.829======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -0.712 -0.411 6.246) 6.300 0.977 ( 2.366 1.366 4.182) 4.996 1.410 ( -3.031 -1.750 1.142) 3.682 1.714 ( 10.708 6.183 2.921) 12.705 2.216 ( 3.422 1.976 -0.801) 4.032 2.734 ( 21.522 12.426 -0.398) 24.855 5.265 ( 0.496 0.286 3.010) 3.064 5.731 ( -9.946 -5.742 4.426) 12.308 5.974 ( 9.600 5.543 -4.432) 11.939 6.171 ( -0.398 -0.230 -3.541) 3.571 7.243 ( -17.959 -10.369 -0.954) 20.759 7.766 ( 0.504 0.291 -0.625) 0.854======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 4.387 2.533 6.195) 8.002 1.037 ( 2.003 1.156 1.622) 2.825 1.319 ( -4.531 -2.616 0.466) 5.253 1.983 ( 11.327 6.540 1.901) 13.217 2.286 ( 1.954 1.128 -0.139) 2.261 3.269 ( 23.404 13.512 1.051) 27.045 5.282 ( 0.320 0.185 1.945) 1.980 5.539 ( -7.596 -4.385 8.002) 11.872 6.151 ( 6.765 3.906 -5.212) 9.391 6.175 ( 1.509 0.871 -1.917) 2.591 6.801 ( -18.860 -10.889 -3.261) 22.020 7.773 ( -0.009 -0.005 2.503) 2.503======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( -0.000 -1.817 12.249) 12.383 0.978 ( -0.000 1.900 3.253) 3.767 1.362 ( -0.000 4.307 0.666) 4.359 1.402 ( 0.000 6.501 -2.549) 6.983 1.906 ( -0.000 9.171 20.708) 22.648 2.405 ( 0.000 -7.565 -16.191) 17.871 5.270 ( -0.000 1.710 1.075) 2.020 5.389 ( -0.000 13.058 0.143) 13.058 6.188 ( 0.000 -2.980 -0.259) 2.992 6.199 ( 0.000 -4.161 -3.656) 5.539 7.656 ( -0.000 1.222 1.555) 1.978 7.920 ( 0.000 -9.383 -1.211) 9.461======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -0.094 -0.796 8.881) 8.917 0.996 ( -0.435 1.228 1.288) 1.832 1.426 ( 1.244 2.949 1.349) 3.473 1.493 ( 2.629 9.305 -0.195) 9.671 2.111 ( 4.181 10.871 8.698) 14.537 2.295 ( 1.577 -1.489 -9.049) 9.305 5.281 ( -0.787 2.705 1.408) 3.150 5.605 ( 8.134 11.544 -2.017) 14.265 6.061 ( -6.576 -5.435 0.151) 8.532 6.175 ( 0.552 -3.969 -3.031) 5.024 7.654 ( -2.409 -7.649 6.013) 10.023 7.771 ( -3.558 -4.042 -6.042) 8.093======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( 0.315 -1.096 3.491) 3.672 1.015 ( -0.168 2.872 2.185) 3.612 1.436 ( -1.526 -1.616 1.091) 2.476 1.680 ( 5.894 11.609 1.999) 13.172 2.214 ( 1.019 5.051 -0.019) 5.152 2.536 ( 16.005 14.681 -0.859) 21.736 5.308 ( -0.735 3.823 2.249) 4.496 5.834 ( 2.512 3.795 0.495) 4.578 5.886 ( -2.697 -1.403 0.083) 3.042 6.131 ( 0.828 -3.772 -3.838) 5.445 7.381 ( -12.424 -15.399 0.486) 19.792 7.751 ( 0.538 0.361 -1.423) 1.564======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 3.400 3.324 3.881) 6.138 1.055 ( 0.285 3.270 2.051) 3.870 1.362 ( -3.652 -3.580 0.748) 5.169 1.926 ( 7.529 11.861 1.947) 14.183 2.298 ( 1.127 5.860 1.502) 6.154 3.030 ( 21.176 17.186 -0.132) 27.272 5.336 ( -1.848 4.359 2.492) 5.350 5.677 ( -9.055 -2.856 7.218) 11.927 6.035 ( 6.896 1.832 -4.433) 8.400 6.130 ( 3.462 -0.018 -2.933) 4.538 6.973 ( -15.986 -14.373 -2.748) 21.672 7.752 ( 0.936 -2.625 1.753) 3.292======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -0.000 0.692 6.107) 6.146 1.005 ( 0.000 0.911 -1.716) 1.943 1.454 ( -0.000 2.169 0.366) 2.200 1.551 ( 0.000 9.931 -3.664) 10.585 2.214 ( 0.000 1.834 -4.576) 4.930 2.263 ( -0.000 14.010 4.041) 14.581 5.300 ( 0.000 1.397 -2.091) 2.514 5.669 ( -0.000 13.675 0.456) 13.683 6.037 ( 0.000 -8.720 -5.526) 10.324 6.138 ( -0.000 -2.457 2.702) 3.652 7.585 ( -0.000 -15.998 6.155) 17.141 7.759 ( 0.000 0.980 -5.214) 5.305======================= 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 2.32e-04 2.00e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( -1.946 0.719 -0.377) 2.109 1.028 ( 1.421 1.822 -0.694) 2.413 1.443 ( -1.202 -1.984 -0.376) 2.350 1.700 ( 5.439 11.446 -2.079) 12.842 2.231 ( 2.393 3.511 -3.279) 5.367 2.519 ( 6.176 21.637 2.355) 22.624 5.328 ( 2.254 1.913 -1.756) 3.439 5.831 ( 3.323 10.461 0.551) 10.990 5.909 ( -2.179 -8.453 -3.830) 9.532 6.101 ( -2.419 -1.907 2.078) 3.715 7.367 ( -5.742 -19.444 3.100) 20.509 7.757 ( -0.804 1.367 -2.515) 2.973======================= 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 2.32e-04 2.00e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 2.771 4.799 -0.000) 5.541 1.074 ( 1.423 2.464 0.000) 2.845 1.377 ( -2.457 -4.256 -0.000) 4.914 1.930 ( 7.020 12.160 -0.000) 14.041 2.335 ( 3.708 6.422 -0.000) 7.415 2.920 ( 13.178 22.826 -0.000) 26.357 5.390 ( 1.632 2.827 -0.000) 3.264 5.786 ( -2.710 -4.694 -0.000) 5.420 5.957 ( 1.330 2.304 -0.000) 2.660 6.077 ( 1.513 2.621 -0.000) 3.026 7.037 ( -10.473 -18.139 -0.000) 20.945 7.728 ( -1.365 -2.364 -0.000) 2.730======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 0.000 1.053 -3.684) 3.831 1.012 ( 0.000 1.629 -2.921) 3.345 1.423 ( 0.000 -3.908 -1.379) 4.144 1.747 ( 0.000 12.057 -3.761) 12.630 2.226 ( 0.000 3.816 -2.869) 4.774 2.723 ( -0.000 25.834 1.778) 25.895 5.298 ( 0.000 0.360 -3.662) 3.680 5.789 ( 0.000 -10.096 -7.302) 12.460 5.936 ( -0.000 10.347 3.380) 10.885 6.134 ( -0.000 -0.057 3.929) 3.929 7.220 ( 0.000 -21.550 3.753) 21.875 7.775 ( 0.000 1.472 -2.483) 2.887======================= 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 2.32e-04 2.00e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -0.000 -0.000 6.019) 6.019 0.952 ( -0.000 -0.000 6.019) 6.019 1.321 ( 0.000 0.000 -1.532) 1.532 1.321 ( 0.000 0.000 -1.532) 1.532 1.903 ( -0.000 -0.000 27.235) 27.235 2.430 ( 0.000 0.000 -22.023) 22.023 5.252 ( -0.000 -0.000 1.931) 1.931 5.252 ( -0.000 -0.000 1.931) 1.931 6.226 ( 0.000 0.000 -1.489) 1.489 6.226 ( 0.000 0.000 -1.489) 1.489 7.636 ( -0.000 -0.000 0.396) 0.396 8.022 ( 0.000 0.000 -0.285) 0.285======================= 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 2.32e-04 2.00e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( -0.520 -0.300 6.958) 6.984 0.990 ( 0.361 0.209 1.310) 1.375 1.363 ( 4.253 2.456 0.830) 4.981 1.376 ( 3.885 2.243 -0.561) 4.521 2.028 ( 3.639 2.101 18.363) 18.837 2.305 ( -3.130 -1.807 -16.669) 17.056 5.256 ( 0.183 0.106 2.463) 2.472 5.406 ( 10.999 6.350 -1.245) 12.761 6.152 ( -5.423 -3.131 0.871) 6.322 6.214 ( -1.060 -0.612 -2.715) 2.979 7.666 ( 2.223 1.283 0.559) 2.627 7.915 ( -8.802 -5.082 -0.730) 10.189======================= 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 2.32e-04 2.00e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 0.854 0.493 5.161) 5.255 0.972 ( -1.647 -0.951 -0.513) 1.970 1.449 ( 1.179 0.681 1.300) 1.883 1.516 ( 8.158 4.710 3.250) 9.965 2.153 ( 2.273 1.312 4.900) 5.559 2.322 ( 11.150 6.437 -5.514) 14.006 5.274 ( 0.589 0.340 3.099) 3.173 5.683 ( 12.170 7.026 -2.254) 14.232 5.992 ( -8.556 -4.940 3.597) 10.514 6.170 ( -1.584 -0.914 -3.705) 4.132 7.627 ( -15.174 -8.761 -1.048) 17.553 7.727 ( 2.439 1.408 -0.008) 2.817======================= 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 2.32e-04 2.00e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( -0.000 -0.644 6.078) 6.112 0.987 ( 0.000 0.276 -1.522) 1.547 1.368 ( -0.000 4.987 0.757) 5.044 1.378 ( 0.000 5.926 -2.191) 6.318 2.095 ( -0.000 4.057 15.522) 16.043 2.243 ( 0.000 -3.879 -14.560) 15.067 5.272 ( 0.000 0.862 -0.804) 1.179 5.395 ( -0.000 12.144 0.944) 12.181 6.169 ( 0.000 -5.231 -2.537) 5.814 6.194 ( -0.000 -2.066 1.405) 2.498 7.666 ( -0.000 2.470 0.531) 2.526 7.913 ( 0.000 -10.374 -0.253) 10.377======================= 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 2.32e-04 2.00e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( -1.317 -2.281 0.000) 2.634 0.995 ( 0.716 1.241 -0.000) 1.433 1.433 ( 1.568 2.716 -0.000) 3.136 1.491 ( 4.907 8.500 -0.000) 9.815 2.189 ( -0.141 -0.244 0.000) 0.282 2.215 ( 5.234 9.065 -0.000) 10.467 5.288 ( 0.888 1.538 -0.000) 1.776 5.595 ( 6.948 12.034 -0.000) 13.896 6.063 ( -3.962 -6.862 -0.000) 7.924 6.158 ( -1.621 -2.808 -0.000) 3.243 7.710 ( 1.444 2.501 -0.000) 2.888 7.715 ( -8.032 -13.912 0.000) 16.064======================= 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 2.32e-04 2.00e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( 0.000 0.000 -0.000) 0.000 0.982 ( 0.000 0.000 -0.000) 0.000 1.312 ( -0.000 -0.000 0.000) 0.000 1.312 ( -0.000 -0.000 0.000) 0.000 2.103 ( 0.000 0.000 -0.000) 0.000 2.256 ( -0.000 -0.000 0.000) 0.000 5.262 ( -0.000 -0.000 0.000) 0.000 5.262 ( -0.000 -0.000 0.000) 0.000 6.218 ( -0.000 -0.000 0.000) 0.000 6.218 ( -0.000 -0.000 0.000) 0.000 7.638 ( -0.000 -0.000 0.000) 0.000 8.021 ( -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 10.0 137.271 137.271 220.115 -0.000 -0.000 -0.000 3/32928 20.0 34.955 34.955 45.992 -0.000 -0.000 -0.000 3/32928 30.0 20.447 20.447 22.644 -0.000 -0.000 -0.000 3/32928 40.0 15.534 15.534 14.765 -0.000 -0.000 -0.000 3/32928 50.0 12.737 12.737 10.879 -0.000 -0.000 -0.000 3/32928 60.0 10.786 10.786 8.587 -0.000 -0.000 -0.000 3/32928 70.0 9.330 9.330 7.090 -0.000 -0.000 -0.000 3/32928 80.0 8.209 8.209 6.044 0.000 -0.000 -0.000 3/32928 90.0 7.323 7.323 5.273 0.000 -0.000 -0.000 3/32928 100.0 6.608 6.608 4.683 0.000 -0.000 -0.000 3/32928 110.0 6.019 6.019 4.215 0.000 -0.000 -0.000 3/32928 120.0 5.527 5.527 3.836 0.000 -0.000 -0.000 3/32928 130.0 5.110 5.110 3.521 0.000 -0.000 -0.000 3/32928 140.0 4.751 4.751 3.256 0.000 -0.000 -0.000 3/32928 150.0 4.440 4.440 3.029 0.000 -0.000 -0.000 3/32928 160.0 4.167 4.167 2.832 0.000 -0.000 -0.000 3/32928 170.0 3.926 3.926 2.660 0.000 -0.000 -0.000 3/32928 180.0 3.711 3.711 2.508 0.000 -0.000 -0.000 3/32928 190.0 3.519 3.519 2.373 0.000 -0.000 -0.000 3/32928 200.0 3.345 3.345 2.252 0.000 -0.000 -0.000 3/32928 210.0 3.188 3.188 2.143 0.000 -0.000 -0.000 3/32928 220.0 3.045 3.045 2.044 0.000 -0.000 -0.000 3/32928 230.0 2.915 2.915 1.954 0.000 -0.000 -0.000 3/32928 240.0 2.795 2.795 1.871 0.000 -0.000 -0.000 3/32928 250.0 2.685 2.685 1.796 0.000 -0.000 -0.000 3/32928 260.0 2.583 2.583 1.726 0.000 -0.000 -0.000 3/32928 270.0 2.488 2.488 1.662 0.000 -0.000 -0.000 3/32928 280.0 2.400 2.400 1.602 0.000 -0.000 -0.000 3/32928 290.0 2.319 2.319 1.547 0.000 -0.000 -0.000 3/32928 300.0 2.242 2.242 1.495 0.000 -0.000 -0.000 3/32928 310.0 2.171 2.171 1.446 0.000 -0.000 -0.000 3/32928 320.0 2.104 2.104 1.401 0.000 -0.000 -0.000 3/32928 330.0 2.040 2.040 1.358 0.000 -0.000 -0.000 3/32928 340.0 1.981 1.981 1.318 0.000 -0.000 -0.000 3/32928 350.0 1.925 1.925 1.281 0.000 -0.000 -0.000 3/32928 360.0 1.872 1.872 1.245 0.000 -0.000 -0.000 3/32928 370.0 1.822 1.822 1.211 0.000 -0.000 -0.000 3/32928 380.0 1.774 1.774 1.179 0.000 -0.000 -0.000 3/32928 390.0 1.729 1.729 1.149 0.000 -0.000 -0.000 3/32928 400.0 1.687 1.687 1.120 0.000 -0.000 -0.000 3/32928 410.0 1.646 1.646 1.093 0.000 -0.000 -0.000 3/32928 420.0 1.607 1.607 1.067 0.000 -0.000 -0.000 3/32928 430.0 1.570 1.570 1.042 0.000 -0.000 -0.000 3/32928 440.0 1.534 1.534 1.019 0.000 -0.000 -0.000 3/32928 450.0 1.501 1.501 0.996 0.000 -0.000 -0.000 3/32928 460.0 1.468 1.468 0.974 0.000 -0.000 -0.000 3/32928 470.0 1.437 1.437 0.954 0.000 -0.000 -0.000 3/32928 480.0 1.408 1.408 0.934 0.000 -0.000 -0.000 3/32928 490.0 1.379 1.379 0.915 0.000 -0.000 -0.000 3/32928 500.0 1.352 1.352 0.896 0.000 -0.000 -0.000 3/32928 510.0 1.325 1.325 0.879 0.000 -0.000 -0.000 3/32928 520.0 1.300 1.300 0.862 0.000 -0.000 -0.000 3/32928 530.0 1.276 1.276 0.846 0.000 -0.000 -0.000 3/32928 540.0 1.252 1.252 0.830 0.000 -0.000 -0.000 3/32928 550.0 1.230 1.230 0.815 0.000 -0.000 -0.000 3/32928 560.0 1.208 1.208 0.800 0.000 -0.000 -0.000 3/32928 570.0 1.187 1.187 0.786 0.000 -0.000 -0.000 3/32928 580.0 1.166 1.166 0.773 0.000 -0.000 -0.000 3/32928 590.0 1.147 1.147 0.760 0.000 -0.000 -0.000 3/32928 600.0 1.128 1.128 0.747 0.000 -0.000 -0.000 3/32928 610.0 1.109 1.109 0.735 0.000 -0.000 -0.000 3/32928 620.0 1.092 1.092 0.723 0.000 -0.000 -0.000 3/32928 630.0 1.074 1.074 0.712 0.000 -0.000 -0.000 3/32928 640.0 1.058 1.058 0.701 0.000 -0.000 -0.000 3/32928 650.0 1.042 1.042 0.690 0.000 -0.000 -0.000 3/32928 660.0 1.026 1.026 0.679 0.000 -0.000 -0.000 3/32928 670.0 1.011 1.011 0.669 0.000 -0.000 -0.000 3/32928 680.0 0.996 0.996 0.659 0.000 -0.000 -0.000 3/32928 690.0 0.982 0.982 0.650 0.000 -0.000 -0.000 3/32928 700.0 0.968 0.968 0.641 0.000 -0.000 -0.000 3/32928 710.0 0.954 0.954 0.632 0.000 -0.000 -0.000 3/32928 720.0 0.941 0.941 0.623 0.000 -0.000 -0.000 3/32928 730.0 0.928 0.928 0.614 0.000 -0.000 -0.000 3/32928 740.0 0.916 0.916 0.606 0.000 -0.000 -0.000 3/32928 750.0 0.903 0.903 0.598 0.000 -0.000 -0.000 3/32928 760.0 0.892 0.892 0.590 0.000 -0.000 -0.000 3/32928 770.0 0.880 0.880 0.582 0.000 -0.000 -0.000 3/32928 780.0 0.869 0.869 0.575 0.000 -0.000 -0.000 3/32928 790.0 0.858 0.858 0.568 0.000 -0.000 -0.000 3/32928 800.0 0.847 0.847 0.561 0.000 -0.000 -0.000 3/32928 810.0 0.837 0.837 0.554 0.000 -0.000 -0.000 3/32928 820.0 0.827 0.827 0.547 0.000 -0.000 -0.000 3/32928 830.0 0.817 0.817 0.540 0.000 -0.000 -0.000 3/32928 840.0 0.807 0.807 0.534 0.000 -0.000 -0.000 3/32928 850.0 0.798 0.798 0.528 0.000 -0.000 -0.000 3/32928 860.0 0.788 0.788 0.522 0.000 -0.000 -0.000 3/32928 870.0 0.779 0.779 0.516 0.000 -0.000 -0.000 3/32928 880.0 0.771 0.771 0.510 0.000 -0.000 -0.000 3/32928 890.0 0.762 0.762 0.504 0.000 -0.000 -0.000 3/32928 900.0 0.753 0.753 0.499 0.000 -0.000 -0.000 3/32928 910.0 0.745 0.745 0.493 0.000 -0.000 -0.000 3/32928 920.0 0.737 0.737 0.488 0.000 -0.000 -0.000 3/32928 930.0 0.729 0.729 0.482 0.000 -0.000 -0.000 3/32928 940.0 0.722 0.722 0.477 0.000 -0.000 -0.000 3/32928 950.0 0.714 0.714 0.472 0.000 -0.000 -0.000 3/32928 960.0 0.707 0.707 0.467 0.000 -0.000 -0.000 3/32928 970.0 0.699 0.699 0.463 0.000 -0.000 -0.000 3/32928 980.0 0.692 0.692 0.458 0.000 -0.000 -0.000 3/32928 990.0 0.685 0.685 0.453 0.000 -0.000 -0.000 3/32928 1000.0 0.678 0.678 0.449 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 19:42:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|