# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8d677a63-d86d-4469-805c-7d80e88cb02f/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 NaErSe2 / R-3m (166) / materials id 8584](https://mdr.nims.go.jp/datasets/6d27a56f-b0d9-4a83-b11f-6ecad3f72626) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:56:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.025522793762522 1.169436130228513 6.890853726666659 b -2.025522793762518 1.169436130228513 6.890853726666659 c 0.000000000000003 -2.338872260457029 6.890853726666659Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 Se 0.25713019008781 0.25713019008781 0.25713019008781 78.960 3 Se 0.74286980991219 0.74286980991219 0.74286980991219 78.960 *4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.051045587525040 0.000000000000000 0.000000000000000 b -2.025522793762521 3.508308390685542 0.000000000000000 c 0.000000000000000 0.000000000000000 20.672561179999999Atomic positions (fractional): *1 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 3 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 *4 Se 0.33333333333333 0.66666666666667 0.92379685675448 78.960 > 2 5 Se 0.00000000000000 0.00000000000000 0.74286980991219 78.960 > 3 6 Se 0.00000000000000 0.00000000000000 0.25713019008781 78.960 > 2 7 Se 0.66666666666667 0.33333333333333 0.07620314324552 78.960 > 3 8 Se 0.66666666666667 0.33333333333333 0.59046352342114 78.960 > 2 9 Se 0.33333333333333 0.66666666666667 0.40953647657886 78.960 > 3 *10 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 11 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 4 12 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.153136762575121 0.000000000000000 0.000000000000000 b -6.076568381287563 10.524925172056626 0.000000000000000 c 0.000000000000000 0.000000000000000 20.672561179999999Atomic positions (fractional): *1 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 2 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 3 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 4 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 5 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 6 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 7 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 8 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 9 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 10 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 11 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 12 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 13 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 14 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 15 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 16 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 17 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 18 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 19 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 20 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 21 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 22 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 23 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 24 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 25 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 26 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 27 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 *28 Se 0.11111111111111 0.22222222222222 0.92379685675448 78.960 > 2 29 Se 0.44444444444444 0.22222222222222 0.92379685675448 78.960 > 2 30 Se 0.77777777777778 0.22222222222222 0.92379685675448 78.960 > 2 31 Se 0.11111111111111 0.55555555555556 0.92379685675448 78.960 > 2 32 Se 0.44444444444444 0.55555555555556 0.92379685675448 78.960 > 2 33 Se 0.77777777777778 0.55555555555556 0.92379685675448 78.960 > 2 34 Se 0.11111111111111 0.88888888888889 0.92379685675448 78.960 > 2 35 Se 0.44444444444444 0.88888888888889 0.92379685675448 78.960 > 2 36 Se 0.77777777777778 0.88888888888889 0.92379685675448 78.960 > 2 37 Se 0.00000000000000 0.00000000000000 0.74286980991219 78.960 > 3 38 Se 0.33333333333333 0.00000000000000 0.74286980991219 78.960 > 3 39 Se 0.66666666666667 0.00000000000000 0.74286980991219 78.960 > 3 40 Se 0.00000000000000 0.33333333333333 0.74286980991219 78.960 > 3 41 Se 0.33333333333333 0.33333333333333 0.74286980991219 78.960 > 3 42 Se 0.66666666666667 0.33333333333333 0.74286980991219 78.960 > 3 43 Se 0.00000000000000 0.66666666666667 0.74286980991219 78.960 > 3 44 Se 0.33333333333333 0.66666666666667 0.74286980991219 78.960 > 3 45 Se 0.66666666666667 0.66666666666667 0.74286980991219 78.960 > 3 46 Se 0.00000000000000 0.00000000000000 0.25713019008781 78.960 > 2 47 Se 0.33333333333333 0.00000000000000 0.25713019008781 78.960 > 2 48 Se 0.66666666666667 0.00000000000000 0.25713019008781 78.960 > 2 49 Se 0.00000000000000 0.33333333333333 0.25713019008781 78.960 > 2 50 Se 0.33333333333333 0.33333333333333 0.25713019008781 78.960 > 2 51 Se 0.66666666666667 0.33333333333333 0.25713019008781 78.960 > 2 52 Se 0.00000000000000 0.66666666666667 0.25713019008781 78.960 > 2 53 Se 0.33333333333333 0.66666666666667 0.25713019008781 78.960 > 2 54 Se 0.66666666666667 0.66666666666667 0.25713019008781 78.960 > 2 55 Se 0.22222222222222 0.11111111111111 0.07620314324552 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.07620314324552 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.07620314324552 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.07620314324552 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.07620314324552 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.07620314324552 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.07620314324552 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.07620314324552 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.07620314324552 78.960 > 3 64 Se 0.22222222222222 0.11111111111111 0.59046352342114 78.960 > 2 65 Se 0.55555555555556 0.11111111111111 0.59046352342114 78.960 > 2 66 Se 0.88888888888889 0.11111111111111 0.59046352342114 78.960 > 2 67 Se 0.22222222222222 0.44444444444444 0.59046352342114 78.960 > 2 68 Se 0.55555555555556 0.44444444444444 0.59046352342114 78.960 > 2 69 Se 0.88888888888889 0.44444444444444 0.59046352342114 78.960 > 2 70 Se 0.22222222222222 0.77777777777778 0.59046352342114 78.960 > 2 71 Se 0.55555555555556 0.77777777777778 0.59046352342114 78.960 > 2 72 Se 0.88888888888889 0.77777777777778 0.59046352342114 78.960 > 2 73 Se 0.11111111111111 0.22222222222222 0.40953647657886 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.40953647657886 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.40953647657886 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.40953647657886 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.40953647657886 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.40953647657886 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.40953647657886 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.40953647657886 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.40953647657886 78.960 > 3 *82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 4 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 4 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 4 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 4 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 4 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 4 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 4 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 4 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 4 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 4 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 4 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 4 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 4 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 4 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 4 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 4 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 4 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 4 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 4 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 4 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 4 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 4 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 4 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 4 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 4 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.2805745 -0.0000000 0.0000000 0.0000000 7.2805745 0.0000000 0.0000000 0.0000000 5.0502304-------------------------- Born effective charges -------------------------- 1 Na 1.1178419 -0.0000000 0.0000000 0.0000000 1.1178419 0.0000000 0.0000000 0.0000000 1.7181750 2 Se -2.8176187 0.0000000 0.0000000 0.0000000 -2.8176187 0.0000000 0.0000000 0.0000000 -1.7924669 3 Se -2.8176187 0.0000000 0.0000000 0.0000000 -2.8176187 0.0000000 0.0000000 0.0000000 -1.7924669 4 Er 4.5173955 -0.0000000 0.0000000 0.0000000 4.5173955 0.0000000 0.0000000 0.0000000 1.8667589----------------------------------------------------------------------------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): 0.006Solver_block: 80 / 80 - Time: 0.179Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.199--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:56:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:56:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.025522793762522 1.169436130228513 6.890853726666659 b -2.025522793762518 1.169436130228513 6.890853726666659 c 0.000000000000003 -2.338872260457029 6.890853726666659Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Se 0.25713019008781 0.25713019008781 0.25713019008781 78.960 3 Se 0.74286980991219 0.74286980991219 0.74286980991219 78.960 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 12.153136762575121 0.000000000000000 0.000000000000000 b -6.076568381287563 10.524925172056626 0.000000000000000 c 0.000000000000000 0.000000000000000 20.672561179999999Atomic positions (fractional): 1 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 2 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 3 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 4 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 5 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 6 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 7 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 8 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 9 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 10 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 11 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 12 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 13 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 14 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 15 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 16 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 17 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 18 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 19 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 20 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 21 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 22 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 23 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 24 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 25 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 26 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 27 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 28 Se 0.11111111111111 0.22222222222222 0.92379685675448 78.960 > 28 29 Se 0.44444444444444 0.22222222222222 0.92379685675448 78.960 > 28 30 Se 0.77777777777778 0.22222222222222 0.92379685675448 78.960 > 28 31 Se 0.11111111111111 0.55555555555556 0.92379685675448 78.960 > 28 32 Se 0.44444444444444 0.55555555555556 0.92379685675448 78.960 > 28 33 Se 0.77777777777778 0.55555555555556 0.92379685675448 78.960 > 28 34 Se 0.11111111111111 0.88888888888889 0.92379685675448 78.960 > 28 35 Se 0.44444444444444 0.88888888888889 0.92379685675448 78.960 > 28 36 Se 0.77777777777778 0.88888888888889 0.92379685675448 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.74286980991219 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.74286980991219 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.74286980991219 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.74286980991219 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.74286980991219 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.74286980991219 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.74286980991219 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.74286980991219 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.74286980991219 78.960 > 37 46 Se 0.00000000000000 0.00000000000000 0.25713019008781 78.960 > 28 47 Se 0.33333333333333 0.00000000000000 0.25713019008781 78.960 > 28 48 Se 0.66666666666667 0.00000000000000 0.25713019008781 78.960 > 28 49 Se 0.00000000000000 0.33333333333333 0.25713019008781 78.960 > 28 50 Se 0.33333333333333 0.33333333333333 0.25713019008781 78.960 > 28 51 Se 0.66666666666667 0.33333333333333 0.25713019008781 78.960 > 28 52 Se 0.00000000000000 0.66666666666667 0.25713019008781 78.960 > 28 53 Se 0.33333333333333 0.66666666666667 0.25713019008781 78.960 > 28 54 Se 0.66666666666667 0.66666666666667 0.25713019008781 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.07620314324552 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.07620314324552 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.07620314324552 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.07620314324552 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.07620314324552 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.07620314324552 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.07620314324552 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.07620314324552 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.07620314324552 78.960 > 37 64 Se 0.22222222222222 0.11111111111111 0.59046352342114 78.960 > 28 65 Se 0.55555555555556 0.11111111111111 0.59046352342114 78.960 > 28 66 Se 0.88888888888889 0.11111111111111 0.59046352342114 78.960 > 28 67 Se 0.22222222222222 0.44444444444444 0.59046352342114 78.960 > 28 68 Se 0.55555555555556 0.44444444444444 0.59046352342114 78.960 > 28 69 Se 0.88888888888889 0.44444444444444 0.59046352342114 78.960 > 28 70 Se 0.22222222222222 0.77777777777778 0.59046352342114 78.960 > 28 71 Se 0.55555555555556 0.77777777777778 0.59046352342114 78.960 > 28 72 Se 0.88888888888889 0.77777777777778 0.59046352342114 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.40953647657886 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.40953647657886 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.40953647657886 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.40953647657886 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.40953647657886 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.40953647657886 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.40953647657886 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.40953647657886 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.40953647657886 78.960 > 37 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.2805745 -0.0000000 0.0000000 0.0000000 7.2805745 0.0000000 0.0000000 0.0000000 5.0502304-------------------------- Born effective charges -------------------------- 1 Na 1.1178419 -0.0000000 0.0000000 0.0000000 1.1178419 0.0000000 0.0000000 0.0000000 1.7181750 2 Se -2.8176187 0.0000000 0.0000000 0.0000000 -2.8176187 0.0000000 0.0000000 0.0000000 -1.7924669 3 Se -2.8176187 0.0000000 0.0000000 0.0000000 -2.8176187 0.0000000 0.0000000 0.0000000 -1.7924669 4 Er 4.5173955 -0.0000000 0.0000000 0.0000000 4.5173955 0.0000000 0.0000000 0.0000000 1.8667589----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 22:56:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:56:13]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.025522793762522 1.169436130228513 6.890853726666659 b -2.025522793762518 1.169436130228513 6.890853726666659 c 0.000000000000003 -2.338872260457029 6.890853726666659Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Se 0.25713019008781 0.25713019008781 0.25713019008781 78.960 3 Se 0.74286980991219 0.74286980991219 0.74286980991219 78.960 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 12.153136762575121 0.000000000000000 0.000000000000000 b -6.076568381287563 10.524925172056626 0.000000000000000 c 0.000000000000000 0.000000000000000 20.672561179999999Atomic positions (fractional): 1 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 2 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 3 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 4 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 5 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 6 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 7 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 8 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 9 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 10 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 11 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 12 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 13 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 14 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 15 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 16 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 17 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 18 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 19 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 20 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 21 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 22 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 23 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 24 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 25 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 26 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 27 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 28 Se 0.11111111111111 0.22222222222222 0.92379685675448 78.960 > 28 29 Se 0.44444444444444 0.22222222222222 0.92379685675448 78.960 > 28 30 Se 0.77777777777778 0.22222222222222 0.92379685675448 78.960 > 28 31 Se 0.11111111111111 0.55555555555556 0.92379685675448 78.960 > 28 32 Se 0.44444444444444 0.55555555555556 0.92379685675448 78.960 > 28 33 Se 0.77777777777778 0.55555555555556 0.92379685675448 78.960 > 28 34 Se 0.11111111111111 0.88888888888889 0.92379685675448 78.960 > 28 35 Se 0.44444444444444 0.88888888888889 0.92379685675448 78.960 > 28 36 Se 0.77777777777778 0.88888888888889 0.92379685675448 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.74286980991219 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.74286980991219 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.74286980991219 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.74286980991219 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.74286980991219 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.74286980991219 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.74286980991219 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.74286980991219 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.74286980991219 78.960 > 37 46 Se 0.00000000000000 0.00000000000000 0.25713019008781 78.960 > 28 47 Se 0.33333333333333 0.00000000000000 0.25713019008781 78.960 > 28 48 Se 0.66666666666667 0.00000000000000 0.25713019008781 78.960 > 28 49 Se 0.00000000000000 0.33333333333333 0.25713019008781 78.960 > 28 50 Se 0.33333333333333 0.33333333333333 0.25713019008781 78.960 > 28 51 Se 0.66666666666667 0.33333333333333 0.25713019008781 78.960 > 28 52 Se 0.00000000000000 0.66666666666667 0.25713019008781 78.960 > 28 53 Se 0.33333333333333 0.66666666666667 0.25713019008781 78.960 > 28 54 Se 0.66666666666667 0.66666666666667 0.25713019008781 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.07620314324552 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.07620314324552 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.07620314324552 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.07620314324552 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.07620314324552 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.07620314324552 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.07620314324552 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.07620314324552 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.07620314324552 78.960 > 37 64 Se 0.22222222222222 0.11111111111111 0.59046352342114 78.960 > 28 65 Se 0.55555555555556 0.11111111111111 0.59046352342114 78.960 > 28 66 Se 0.88888888888889 0.11111111111111 0.59046352342114 78.960 > 28 67 Se 0.22222222222222 0.44444444444444 0.59046352342114 78.960 > 28 68 Se 0.55555555555556 0.44444444444444 0.59046352342114 78.960 > 28 69 Se 0.88888888888889 0.44444444444444 0.59046352342114 78.960 > 28 70 Se 0.22222222222222 0.77777777777778 0.59046352342114 78.960 > 28 71 Se 0.55555555555556 0.77777777777778 0.59046352342114 78.960 > 28 72 Se 0.88888888888889 0.77777777777778 0.59046352342114 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.40953647657886 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.40953647657886 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.40953647657886 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.40953647657886 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.40953647657886 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.40953647657886 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.40953647657886 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.40953647657886 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.40953647657886 78.960 > 37 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.2805745 -0.0000000 0.0000000 0.0000000 7.2805745 0.0000000 0.0000000 0.0000000 5.0502304-------------------------- Born effective charges -------------------------- 1 Na 1.1178419 -0.0000000 0.0000000 0.0000000 1.1178419 0.0000000 0.0000000 0.0000000 1.7181750 2 Se -2.8176187 0.0000000 0.0000000 0.0000000 -2.8176187 0.0000000 0.0000000 0.0000000 -1.7924669 3 Se -2.8176187 0.0000000 0.0000000 0.0000000 -2.8176187 0.0000000 0.0000000 0.0000000 -1.7924669 4 Er 4.5173955 -0.0000000 0.0000000 0.0000000 4.5173955 0.0000000 0.0000000 0.0000000 1.8667589----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz)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: 0.90, Number of G-points: 313, Lambda: 0.24Running 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: 0.00e+00 4.63e-04 4.63e-04 7.23e-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 3.255 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.606 ( 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: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( 17.285 9.979 -0.324) 19.961 0.425 ( 18.224 10.522 -1.744) 21.116 0.815 ( 32.711 18.886 7.208) 38.453 3.254 ( -0.359 -0.207 1.381) 1.442 3.424 ( 1.432 0.827 -6.010) 6.233 3.966 ( -0.116 -0.067 -0.472) 0.490 4.036 ( 4.395 2.538 5.475) 7.465 4.275 ( 1.241 0.716 0.712) 1.600 4.785 ( 1.448 0.836 -5.920) 6.151 4.962 ( -1.211 -0.699 -2.165) 2.578 5.532 ( -6.471 -3.736 2.312) 7.821 6.327 ( -3.273 -1.890 -0.247) 3.787======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( 17.509 10.109 -0.965) 20.241 0.840 ( 17.604 10.164 -3.006) 20.548 1.564 ( 28.875 16.671 3.151) 33.490 3.249 ( -0.584 -0.337 2.615) 2.701 3.460 ( 3.745 2.162 -5.540) 7.027 3.963 ( -0.001 -0.001 -0.567) 0.567 4.179 ( 4.673 2.698 9.926) 11.297 4.319 ( 2.203 1.272 0.646) 2.624 4.805 ( 0.905 0.523 -0.274) 1.080 4.918 ( -1.276 -0.737 -4.620) 4.849 5.335 ( -10.538 -6.084 3.653) 12.705 6.208 ( -5.783 -3.339 -6.704) 9.462======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 16.845 9.725 -1.846) 19.538 1.221 ( 15.632 9.025 -4.687) 18.649 2.161 ( 21.349 12.326 -2.932) 24.826 3.247 ( -0.465 -0.268 3.579) 3.619 3.587 ( 8.310 4.798 0.478) 9.608 3.965 ( 0.340 0.196 -0.369) 0.539 4.291 ( 1.123 0.648 12.462) 12.529 4.378 ( 2.667 1.540 -0.165) 3.084 4.782 ( -5.330 -3.077 5.124) 8.008 4.886 ( 0.264 0.152 -5.458) 5.467 5.119 ( -6.508 -3.757 1.125) 7.598 6.012 ( -7.845 -4.529 -12.520) 15.453======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 11.866 6.851 -5.969) 14.946 1.577 ( 14.537 8.393 -2.613) 16.988 2.545 ( 13.267 7.660 -5.365) 16.232 3.255 ( 0.066 0.038 4.098) 4.099 3.854 ( 12.506 7.220 6.391) 15.792 3.976 ( 0.690 0.398 -0.142) 0.809 4.317 ( -2.052 -1.185 11.810) 12.045 4.438 ( 2.552 1.473 -1.103) 3.147 4.575 ( -12.549 -7.245 9.246) 17.189 4.889 ( 1.420 0.820 -5.103) 5.360 5.055 ( -0.960 -0.554 -2.320) 2.571 5.774 ( -7.468 -4.311 -16.058) 18.227======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 7.146 4.126 -5.342) 9.830 1.865 ( 10.520 6.074 -2.714) 12.447 2.796 ( 9.827 5.673 -1.853) 11.497 3.277 ( 0.636 0.367 3.786) 3.856 3.994 ( 0.795 0.459 -0.022) 0.919 4.122 ( 4.775 2.757 7.394) 9.223 4.318 ( -7.592 -4.384 11.236) 14.252 4.341 ( -0.059 -0.034 6.446) 6.446 4.487 ( 1.954 1.128 -1.500) 2.709 4.898 ( -0.548 -0.317 -4.890) 4.931 4.991 ( -2.286 -1.320 -6.804) 7.298 5.591 ( -3.519 -2.031 -11.968) 12.639======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( 3.141 1.813 -2.769) 4.563 2.045 ( 5.434 3.137 -1.753) 6.515 3.000 ( 7.139 4.122 1.031) 8.308 3.305 ( 0.645 0.372 2.317) 2.434 4.010 ( 0.534 0.309 0.006) 0.617 4.128 ( -3.024 -1.746 3.557) 4.985 4.155 ( -5.669 -3.273 8.269) 10.546 4.475 ( 3.250 1.876 2.578) 4.553 4.518 ( 1.050 0.606 -1.054) 1.606 4.801 ( -2.449 -1.414 -8.197) 8.671 4.981 ( 1.539 0.888 -2.750) 3.274 5.514 ( -1.119 -0.646 -4.601) 4.779======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 -0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 -0.000) 0.000 5.493 ( 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: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( 0.000 19.221 8.915) 21.188 0.471 ( 0.000 20.966 5.856) 21.769 0.806 ( 0.000 36.821 6.147) 37.330 3.233 ( 0.000 -1.222 -2.518) 2.799 3.450 ( 0.000 3.813 -1.403) 4.063 3.951 ( 0.000 -0.460 -3.285) 3.317 3.998 ( 0.000 2.939 -1.248) 3.194 4.287 ( -0.000 1.636 2.918) 3.346 4.737 ( 0.000 3.859 -12.844) 13.411 4.949 ( 0.000 -1.460 -4.924) 5.136 5.545 ( -0.000 -7.357 4.610) 8.682 6.367 ( -0.000 -3.696 6.246) 7.258======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 5.989 17.125 5.901) 19.078 0.811 ( 8.267 20.176 1.114) 21.833 1.379 ( 18.344 28.998 4.876) 34.658 3.241 ( 2.673 -0.890 -1.508) 3.195 3.442 ( -2.494 3.741 -2.529) 5.158 3.987 ( -0.047 2.825 -4.382) 5.214 4.069 ( 8.059 -1.932 4.777) 9.566 4.329 ( 1.063 2.825 3.326) 4.492 4.767 ( 3.022 1.629 -6.118) 7.015 4.904 ( -0.665 -1.840 -6.781) 7.058 5.421 ( -5.933 -9.574 5.969) 12.747 6.276 ( -6.702 -2.975 -0.099) 7.333======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( 11.900 13.706 1.365) 18.203 1.161 ( 9.466 17.414 -1.231) 19.859 1.970 ( 17.662 20.791 -0.869) 27.294 3.282 ( 0.464 2.032 1.635) 2.649 3.483 ( 5.637 2.812 -0.512) 6.320 3.985 ( -1.301 2.372 -2.339) 3.576 4.205 ( 7.508 -4.078 5.598) 10.215 4.402 ( 1.437 3.570 5.086) 6.378 4.808 ( 1.029 -1.318 -0.506) 1.747 4.860 ( 0.495 0.474 -7.663) 7.694 5.209 ( -8.436 -8.423 4.874) 12.879 6.081 ( -9.698 -4.100 -7.181) 12.745======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( 12.179 10.473 -2.874) 16.317 1.485 ( 9.593 14.224 -1.832) 17.254 2.394 ( 12.607 12.658 -5.157) 18.594 3.306 ( -1.443 3.796 2.691) 4.872 3.707 ( 13.011 5.193 5.017) 14.880 3.982 ( -0.399 1.274 -0.264) 1.361 4.278 ( 4.451 -4.766 3.173) 7.252 4.467 ( -0.428 2.560 6.957) 7.425 4.732 ( -6.916 -5.796 5.985) 10.828 4.861 ( 0.237 1.154 -5.063) 5.198 5.065 ( -1.843 -1.199 -1.092) 2.455 5.815 ( -10.177 -5.616 -13.474) 17.795======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 8.749 6.453 -5.289) 12.089 1.777 ( 8.804 11.897 -1.606) 14.888 2.670 ( 9.806 7.073 -2.800) 12.411 3.337 ( -1.437 5.633 2.544) 6.346 3.957 ( 3.937 -0.433 0.346) 3.976 4.045 ( 8.121 3.285 6.489) 10.902 4.314 ( 3.809 -1.563 1.758) 4.476 4.460 ( -6.485 -3.613 12.708) 14.717 4.561 ( -6.302 1.659 2.644) 7.033 4.877 ( 1.561 1.498 -4.773) 5.241 5.017 ( -4.345 -0.829 -4.461) 6.283 5.564 ( -4.487 -5.569 -14.339) 16.024======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 5.273 3.261 -4.024) 7.391 2.008 ( 5.307 9.500 -1.767) 11.024 2.880 ( 8.551 2.633 0.890) 8.991 3.386 ( -1.887 8.136 1.317) 8.455 3.963 ( 0.863 -3.837 0.962) 4.049 4.173 ( 2.386 0.130 1.783) 2.982 4.285 ( -8.548 -3.892 11.107) 14.545 4.446 ( 4.384 3.976 2.053) 6.264 4.558 ( -2.411 5.380 2.580) 6.435 4.819 ( -6.257 -2.455 -9.505) 11.641 4.938 ( 2.033 -0.070 -3.485) 4.036 5.465 ( 1.567 -3.801 -6.896) 8.029======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 2.177 1.059 -1.729) 2.975 2.136 ( 0.310 6.637 -0.937) 6.710 3.006 ( 4.889 -2.777 0.156) 5.625 3.435 ( -3.812 9.937 -0.407) 10.651 3.934 ( 1.638 -5.487 0.128) 5.728 4.149 ( -5.185 -0.385 3.845) 6.466 4.220 ( -3.333 6.440 0.972) 7.316 4.493 ( -0.927 -0.515 -1.303) 1.680 4.536 ( -1.400 0.959 0.117) 1.701 4.765 ( 1.647 1.334 -1.146) 2.410 4.972 ( 2.216 -1.133 0.424) 2.525 5.452 ( 2.316 -3.030 -2.348) 4.479======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( -0.675 -0.842 0.555) 1.213 2.145 ( -5.136 3.359 0.669) 6.173 2.987 ( -0.529 -6.596 -3.406) 7.442 3.431 ( -7.089 8.748 -1.149) 11.318 3.928 ( 3.616 -4.449 -0.988) 5.818 4.111 ( 0.098 2.312 -3.364) 4.083 4.198 ( -5.242 5.751 -2.725) 8.245 4.509 ( -0.360 1.902 1.491) 2.443 4.537 ( -0.021 0.997 0.269) 1.033 4.803 ( 1.338 0.630 5.796) 5.982 4.983 ( 0.564 -2.323 2.340) 3.345 5.470 ( 3.518 -2.762 1.175) 4.624======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( -3.946 -2.793 3.169) 5.781 2.027 ( -10.470 -0.183 1.875) 10.638 2.860 ( -4.259 -6.540 -2.804) 8.293 3.373 ( -7.418 6.762 -1.337) 10.126 3.951 ( 3.319 -3.168 -1.375) 4.790 4.132 ( -2.125 0.501 -7.662) 7.967 4.194 ( 4.867 3.576 -4.295) 7.411 4.424 ( -8.814 -0.427 -2.107) 9.073 4.542 ( -2.082 2.869 -0.675) 3.609 4.901 ( 2.896 2.389 6.210) 7.257 4.985 ( 1.583 -0.785 5.191) 5.483 5.539 ( 6.087 -2.280 7.286) 9.765======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( -9.405 -5.097 4.977) 11.799 1.795 ( -14.369 -2.578 1.844) 14.714 2.695 ( -8.113 -4.980 2.028) 9.733 3.312 ( -5.404 5.227 -2.198) 7.833 3.942 ( -5.517 -5.663 -2.884) 8.416 3.986 ( -3.397 -2.970 -4.418) 6.315 4.284 ( -3.476 1.253 -6.271) 7.279 4.352 ( 9.132 1.468 -5.470) 10.746 4.541 ( -0.997 5.354 -1.540) 5.660 4.921 ( -1.234 -0.616 3.635) 3.888 5.055 ( 1.313 1.392 2.847) 3.431 5.705 ( 9.565 0.584 12.600) 15.830======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( -16.057 -7.326 3.606) 18.013 1.506 ( -16.420 -2.107 2.160) 16.695 2.442 ( -17.428 -5.296 3.945) 18.638 3.277 ( -3.095 4.170 -2.818) 5.908 3.666 ( -9.411 -7.562 -2.909) 12.418 3.981 ( 0.326 0.936 -0.489) 1.106 4.229 ( -0.858 -2.151 -6.744) 7.131 4.416 ( -0.520 -0.412 -2.147) 2.247 4.674 ( 8.578 6.093 -5.122) 11.702 4.907 ( -0.777 -0.423 3.344) 3.459 5.075 ( 0.895 0.348 1.000) 1.386 5.941 ( 9.768 2.490 10.662) 14.673======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( -18.599 -6.160 1.598) 19.658 1.178 ( -19.781 -1.013 1.792) 19.888 1.976 ( -29.293 -5.684 0.453) 29.842 3.262 ( -1.696 2.381 -2.256) 3.693 3.497 ( -2.952 -4.032 1.951) 5.364 4.001 ( -0.707 3.419 1.018) 3.636 4.143 ( -2.035 -5.161 -6.391) 8.463 4.369 ( -3.232 0.047 -0.950) 3.369 4.801 ( 1.818 1.185 -1.888) 2.876 4.914 ( 0.727 0.034 2.176) 2.295 5.177 ( 9.767 2.008 -0.774) 10.001 6.148 ( 7.536 1.988 5.377) 9.469======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( -19.031 -0.000 0.000) 19.031 0.806 ( -22.026 -0.000 0.000) 22.026 1.352 ( -36.171 -0.000 0.000) 36.171 3.249 ( -0.392 -0.000 0.000) 0.392 3.457 ( -1.091 -0.000 0.000) 1.091 4.021 ( -3.292 -0.000 0.000) 3.292 4.032 ( -1.437 -0.000 0.000) 1.437 4.311 ( -2.975 -0.000 0.000) 2.975 4.801 ( -0.678 -0.000 0.000) 0.678 4.942 ( 1.651 0.000 -0.000) 1.651 5.387 ( 11.122 0.000 -0.000) 11.122 6.276 ( 4.802 0.000 -0.000) 4.802======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 0.000 19.250 7.170) 20.541 0.928 ( 0.000 20.176 4.664) 20.708 1.568 ( 0.000 34.068 3.892) 34.289 3.180 ( 0.000 -1.579 -3.715) 4.036 3.537 ( 0.000 4.900 -0.157) 4.902 3.917 ( 0.000 -0.050 -4.095) 4.095 4.047 ( 0.000 1.968 -0.759) 2.109 4.355 ( 0.000 2.630 3.409) 4.305 4.730 ( 0.000 1.232 -5.613) 5.747 4.861 ( 0.000 -1.784 -8.632) 8.814 5.387 ( -0.000 -11.435 6.920) 13.365 6.316 ( -0.000 -4.267 2.532) 4.962======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 0.902 19.204 5.914) 20.114 1.212 ( 5.570 17.840 1.631) 18.761 1.986 ( 8.024 27.583 0.233) 28.728 3.214 ( 6.246 -0.138 -2.030) 6.569 3.526 ( -4.266 5.149 0.325) 6.694 3.999 ( 5.408 1.818 -5.874) 8.189 4.055 ( 2.166 -2.344 4.323) 5.374 4.414 ( 2.013 2.740 3.911) 5.182 4.730 ( 2.568 -4.387 -4.263) 6.635 4.834 ( 0.712 2.484 -7.595) 8.023 5.251 ( -4.689 -10.213 5.747) 12.622 6.199 ( -8.287 -4.433 -0.783) 9.430======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 4.130 16.229 1.980) 16.863 1.491 ( 6.831 15.325 0.203) 16.780 2.349 ( 7.507 17.383 -4.441) 19.449 3.346 ( 4.530 3.294 0.304) 5.610 3.585 ( 5.943 6.248 2.982) 9.125 4.008 ( -1.266 0.507 -0.034) 1.364 4.143 ( 6.515 -3.227 0.534) 7.290 4.495 ( 2.109 1.717 6.062) 6.644 4.700 ( 2.357 -7.195 -1.777) 7.777 4.868 ( 0.512 2.833 -3.744) 4.723 5.092 ( -4.379 -4.440 0.780) 6.284 5.944 ( -13.370 -5.043 -5.781) 15.414======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 4.711 10.254 -2.398) 11.536 1.774 ( 7.278 15.006 0.832) 16.698 2.593 ( 6.996 9.395 -2.819) 12.048 3.427 ( 0.063 6.787 0.259) 6.793 3.826 ( 11.012 2.878 0.121) 11.382 3.999 ( 0.491 -2.192 4.604) 5.123 4.224 ( 5.615 1.065 0.186) 5.718 4.549 ( -0.746 0.241 9.141) 9.175 4.638 ( -2.166 -5.909 2.415) 6.741 4.862 ( -0.494 2.115 -4.589) 5.078 5.053 ( 0.223 0.953 -2.775) 2.942 5.610 ( -13.545 -6.241 -9.978) 17.943======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 4.318 5.840 -2.952) 7.840 2.037 ( 4.947 13.975 0.252) 14.827 2.782 ( 6.886 3.957 1.752) 8.133 3.507 ( -0.633 10.068 -0.721) 10.114 3.922 ( 0.358 -3.246 1.009) 3.418 4.047 ( 8.492 -3.447 -1.320) 9.259 4.376 ( 3.437 2.922 7.509) 8.760 4.478 ( -6.074 -0.616 5.698) 8.351 4.625 ( 1.906 3.019 -0.104) 3.572 4.882 ( 0.989 1.434 -3.003) 3.472 4.970 ( -10.912 0.072 -5.263) 12.115 5.365 ( -0.872 -6.334 -7.254) 9.670======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 2.735 3.078 -1.856) 4.516 2.219 ( 0.748 11.553 -0.208) 11.579 2.913 ( 4.411 -0.643 2.779) 5.253 3.595 ( -1.924 11.979 -2.356) 12.359 3.870 ( -0.440 -5.244 0.736) 5.313 4.193 ( 8.625 2.083 -1.218) 8.956 4.301 ( -7.335 -0.905 5.982) 9.508 4.503 ( -0.027 1.300 -1.760) 2.189 4.683 ( -13.734 0.616 -1.989) 13.891 4.732 ( 4.212 3.635 -0.137) 5.565 4.922 ( 1.837 -0.703 -0.093) 1.969 5.343 ( 4.112 -4.943 -2.552) 6.917======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 0.397 0.820 -0.738) 1.173 2.292 ( -4.216 8.369 0.484) 9.384 2.925 ( -0.289 -4.495 -1.286) 4.684 3.644 ( -5.337 11.155 -3.442) 12.836 3.832 ( 1.821 -3.990 -0.684) 4.439 4.172 ( -5.380 1.295 -0.435) 5.551 4.351 ( -6.310 4.138 -4.788) 8.937 4.472 ( 7.943 1.845 1.805) 8.351 4.581 ( -2.460 2.214 4.921) 5.930 4.813 ( 0.312 2.048 2.619) 3.339 4.938 ( 1.808 -2.919 1.777) 3.866 5.358 ( 4.134 -5.161 -1.140) 6.710======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( -1.871 -1.101 0.605) 2.253 2.238 ( -9.921 4.566 1.602) 11.038 2.831 ( -2.151 -5.575 -4.471) 7.463 3.610 ( -9.009 9.194 -1.444) 12.953 3.845 ( 3.754 -2.884 -1.253) 4.896 4.130 ( -0.745 3.113 -8.586) 9.163 4.227 ( -5.212 -2.007 2.155) 5.987 4.562 ( -3.727 1.354 3.543) 5.318 4.630 ( -4.018 7.765 -3.291) 9.342 4.873 ( 6.151 1.868 7.775) 10.089 4.950 ( 1.962 -1.864 2.092) 3.421 5.391 ( 6.858 -6.306 2.126) 9.556======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -5.010 -2.344 2.088) 5.912 2.048 ( -14.777 0.728 1.412) 14.863 2.733 ( -2.218 -3.693 -2.456) 4.959 3.520 ( -9.886 7.162 0.213) 12.209 3.888 ( 3.926 -1.809 -1.371) 4.535 4.043 ( -7.148 -3.996 -4.875) 9.530 4.222 ( 4.666 1.964 -3.494) 6.151 4.428 ( -11.035 0.611 0.935) 11.092 4.609 ( -1.991 3.686 -1.814) 4.566 4.939 ( -0.290 -0.533 2.013) 2.103 5.052 ( 3.028 3.541 2.319) 5.204 5.525 ( 12.859 -3.760 7.241) 15.229======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -11.836 -2.454 2.085) 12.266 1.772 ( -15.814 -0.644 0.499) 15.835 2.634 ( -6.965 -1.829 0.816) 7.247 3.423 ( -7.905 4.791 0.073) 9.244 3.783 ( -12.804 -5.168 -2.741) 14.077 3.941 ( 3.279 -0.695 -1.110) 3.531 4.276 ( -6.526 0.327 -1.100) 6.626 4.340 ( 6.885 0.436 -2.610) 7.376 4.625 ( 1.279 2.978 -1.300) 3.492 4.927 ( -0.960 -0.472 1.553) 1.886 5.086 ( -0.823 0.590 0.334) 1.066 5.776 ( 13.608 0.029 5.474) 14.668======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( -18.238 -0.000 0.000) 18.238 1.493 ( -16.310 -0.000 0.000) 16.310 2.399 ( -19.631 -0.000 0.000) 19.631 3.335 ( -5.022 -0.000 0.000) 5.022 3.554 ( -7.550 -0.000 0.000) 7.550 3.994 ( 2.957 0.000 -0.000) 2.957 4.176 ( -4.950 -0.000 0.000) 4.950 4.401 ( 0.120 0.000 -0.000) 0.120 4.722 ( 6.991 0.000 -0.000) 6.991 4.914 ( -0.384 -0.000 0.000) 0.384 5.082 ( 1.484 0.000 -0.000) 1.484 6.006 ( 10.778 0.000 -0.000) 10.778======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 0.000 17.962 4.316) 18.473 1.342 ( 0.000 17.524 2.557) 17.709 2.213 ( 0.000 26.883 -0.245) 26.884 3.133 ( 0.000 -0.424 -2.810) 2.842 3.647 ( 0.000 6.070 1.244) 6.197 3.901 ( 0.000 1.087 -3.266) 3.442 4.054 ( -0.000 -1.483 1.212) 1.915 4.433 ( 0.000 2.910 2.416) 3.782 4.625 ( -0.000 -8.473 -3.925) 9.338 4.842 ( 0.000 4.720 -5.724) 7.419 5.209 ( -0.000 -8.901 4.120) 9.808 6.225 ( -0.000 -5.630 0.113) 5.632======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( -0.514 15.555 1.718) 15.658 1.552 ( 4.128 15.499 1.659) 16.125 2.451 ( 0.711 18.118 -3.665) 18.498 3.218 ( 9.122 1.531 -1.187) 9.325 3.667 ( -3.623 7.967 2.196) 9.024 4.001 ( 7.651 1.238 -1.181) 7.839 4.028 ( -1.046 -2.041 2.112) 3.118 4.487 ( 2.063 1.547 3.506) 4.352 4.545 ( 3.233 -9.487 -2.839) 10.417 4.882 ( 0.511 4.751 -3.922) 6.181 5.114 ( -3.009 -5.106 0.766) 5.976 6.082 ( -8.784 -6.094 -2.005) 10.878======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 0.236 9.782 -1.702) 9.931 1.821 ( 6.491 16.201 2.695) 17.660 2.599 ( 2.322 9.503 -2.621) 10.128 3.407 ( 8.855 3.104 -2.046) 9.604 3.729 ( 1.939 5.190 -0.770) 5.593 3.991 ( -0.915 -4.084 4.547) 6.180 4.156 ( 6.148 6.063 1.726) 8.806 4.528 ( 5.471 -7.827 -1.054) 9.608 4.562 ( 2.499 1.249 5.357) 6.042 4.902 ( -1.975 2.409 -2.870) 4.236 5.040 ( -0.646 -0.233 -3.061) 3.137 5.794 ( -14.921 -6.295 -4.447) 16.794======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 1.875 6.472 -1.782) 6.970 2.106 ( 5.616 15.851 2.453) 16.994 2.725 ( 4.690 3.613 1.764) 6.178 3.577 ( 5.008 8.100 -2.167) 9.767 3.812 ( 6.803 -1.046 -5.305) 8.690 3.932 ( -1.589 -5.692 3.894) 7.077 4.359 ( 6.131 7.122 6.366) 11.351 4.529 ( 1.529 -4.255 -3.084) 5.473 4.626 ( -0.158 2.720 5.828) 6.433 4.873 ( -0.396 1.475 -3.937) 4.223 5.054 ( 1.240 1.117 -2.924) 3.367 5.429 ( -15.734 -6.567 -4.617) 17.663======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( 2.088 4.415 -0.812) 4.951 2.334 ( 1.725 14.090 1.464) 14.270 2.843 ( 4.847 -0.175 4.343) 6.510 3.724 ( 0.433 12.019 -2.390) 12.262 3.846 ( -1.960 -4.743 1.585) 5.371 3.961 ( 14.039 -2.456 -4.246) 14.872 4.438 ( -5.330 -1.911 2.607) 6.234 4.512 ( 0.681 2.496 0.139) 2.591 4.682 ( 2.398 2.993 -1.054) 3.978 4.883 ( -0.432 0.053 -1.839) 1.890 4.973 ( -11.866 2.669 -1.772) 12.290 5.215 ( 2.155 -5.783 -0.001) 6.171======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 0.489 2.396 -0.314) 2.465 2.457 ( -2.765 10.994 1.142) 11.394 2.891 ( 0.483 -3.090 1.872) 3.645 3.765 ( -1.294 -2.109 -2.123) 3.260 3.827 ( -1.637 9.647 -2.127) 10.013 4.232 ( 13.584 1.243 -0.441) 13.648 4.319 ( -3.054 1.714 -2.793) 4.480 4.465 ( -5.928 -2.697 -1.346) 6.651 4.678 ( -3.676 0.354 3.975) 5.426 4.853 ( 0.764 3.395 0.216) 3.487 4.910 ( -2.204 0.866 1.338) 2.720 5.230 ( 3.697 -5.229 -0.259) 6.410======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -1.518 0.503 -0.116) 1.603 2.466 ( -7.850 7.553 1.836) 11.047 2.813 ( -3.259 -5.001 -2.545) 6.489 3.741 ( 1.726 -1.157 -2.332) 3.124 3.855 ( -5.739 8.300 -1.416) 10.189 4.179 ( -4.422 1.421 -7.163) 8.537 4.303 ( -6.111 -5.206 4.597) 9.251 4.598 ( 7.472 7.554 -3.308) 11.128 4.701 ( 7.329 3.519 9.222) 12.294 4.848 ( -5.619 -1.502 1.853) 6.105 4.909 ( 1.765 1.659 -0.129) 2.426 5.223 ( 3.485 -7.433 -0.641) 8.234======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -2.999 -0.504 0.263) 3.053 2.328 ( -14.104 2.525 1.289) 14.386 2.717 ( -1.272 -2.624 -2.472) 3.823 3.756 ( -6.314 4.387 -0.779) 7.727 3.801 ( 0.599 -0.362 -0.047) 0.701 4.101 ( -4.147 -0.328 -5.689) 7.048 4.204 ( -1.749 -1.322 2.779) 3.539 4.628 ( -5.576 2.688 3.006) 6.882 4.689 ( -7.968 -0.488 -2.217) 8.285 4.935 ( 1.124 0.087 0.653) 1.302 5.028 ( 8.217 8.596 1.854) 12.035 5.243 ( 11.758 -9.128 1.750) 14.988======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( -5.593 -0.000 0.000) 5.593 2.063 ( -16.680 -0.000 0.000) 16.680 2.686 ( -1.191 -0.000 0.000) 1.191 3.611 ( -10.025 -0.000 0.000) 10.025 3.865 ( 4.376 0.000 -0.000) 4.376 3.965 ( -9.755 -0.000 0.000) 9.755 4.229 ( 4.309 0.000 -0.000) 4.309 4.441 ( -11.825 -0.000 0.000) 11.825 4.642 ( -1.135 -0.000 0.000) 1.135 4.940 ( -0.356 -0.000 0.000) 0.356 5.104 ( -0.364 -0.000 0.000) 0.364 5.506 ( 17.506 0.000 -0.000) 17.506======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 0.000 11.667 -1.011) 11.710 1.673 ( 0.000 14.051 0.615) 14.065 2.603 ( 0.000 12.427 -4.716) 13.292 3.141 ( 0.000 2.516 0.153) 2.521 3.828 ( 0.000 7.625 5.364) 9.323 3.917 ( 0.000 2.201 -1.938) 2.932 4.028 ( -0.000 0.798 2.168) 2.310 4.396 ( -0.000 -11.142 -0.417) 11.150 4.501 ( 0.000 2.416 0.964) 2.601 4.917 ( 0.000 4.957 -2.981) 5.785 5.096 ( -0.000 -3.373 -1.051) 3.533 6.086 ( -0.000 -7.463 -2.044) 7.738======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( -1.547 6.829 -3.336) 7.756 1.870 ( 6.098 12.929 0.533) 14.304 2.663 ( -0.808 5.649 -3.177) 6.532 3.256 ( 7.994 3.019 -0.280) 8.549 3.809 ( -3.949 2.604 0.422) 4.749 3.966 ( 0.937 -2.903 2.493) 3.940 4.162 ( 4.369 12.477 4.481) 13.959 4.337 ( 5.387 -7.996 0.158) 9.643 4.545 ( 2.150 1.835 1.247) 3.090 4.949 ( -0.946 3.391 -2.201) 4.152 5.048 ( -1.597 -0.847 -2.957) 3.466 5.920 ( -8.398 -8.110 -3.206) 12.107======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 0.667 4.327 -2.656) 5.121 2.141 ( 8.827 12.807 1.512) 15.627 2.699 ( 1.799 1.176 0.755) 2.277 3.441 ( 10.337 1.899 -2.861) 10.892 3.791 ( -1.049 3.463 -1.298) 3.844 3.929 ( -1.937 -4.002 3.171) 5.460 4.329 ( 6.038 -0.509 2.915) 6.724 4.436 ( 4.172 5.958 -0.703) 7.308 4.641 ( 4.672 4.302 4.110) 7.565 4.910 ( -3.868 0.325 -3.408) 5.165 5.034 ( 0.480 1.408 -2.375) 2.802 5.623 ( -14.037 -7.904 -3.514) 16.488======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( 2.288 3.526 -0.807) 4.280 2.421 ( 6.235 12.914 1.648) 14.435 2.763 ( 4.689 -1.586 4.098) 6.426 3.643 ( 13.639 -0.505 -4.418) 14.345 3.835 ( 0.230 3.441 -0.632) 3.506 3.856 ( -2.661 0.162 2.071) 3.376 4.393 ( 4.061 -4.768 -4.857) 7.926 4.546 ( 1.561 4.986 4.988) 7.224 4.750 ( -3.501 6.244 0.287) 7.164 4.860 ( 1.585 0.186 -2.750) 3.179 5.060 ( 1.692 0.756 -0.812) 2.023 5.279 ( -14.098 -6.405 -0.836) 15.507======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 1.413 2.400 0.064) 2.785 2.603 ( 0.097 10.874 0.912) 10.913 2.838 ( 3.496 -2.971 3.920) 6.035 3.763 ( -2.671 -3.541 0.369) 4.451 3.890 ( 14.627 -0.636 -3.248) 14.997 3.961 ( 4.338 10.352 -0.070) 11.224 4.350 ( -0.615 -3.941 -7.282) 8.303 4.570 ( -6.503 0.561 4.744) 8.069 4.726 ( -0.564 2.040 -0.406) 2.155 4.856 ( -2.223 -1.383 -1.748) 3.148 5.032 ( -5.658 3.495 -1.116) 6.743 5.132 ( 2.304 -3.656 3.280) 5.425======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.747 0.898 0.074) 1.171 2.665 ( -4.397 8.193 1.492) 9.417 2.812 ( -2.438 -5.230 -0.216) 5.775 3.704 ( -0.480 -1.575 -0.720) 1.798 4.015 ( -2.118 8.971 -1.692) 9.372 4.177 ( 4.344 -5.339 -1.596) 7.066 4.362 ( 11.046 3.781 -2.632) 11.968 4.418 ( -5.324 -2.560 2.239) 6.318 4.724 ( -2.595 1.048 3.467) 4.456 4.833 ( 2.178 -1.800 -1.151) 3.051 5.010 ( -3.584 5.629 0.150) 6.675 5.123 ( 0.591 -5.356 0.468) 5.409======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -2.330 -0.000 0.000) 2.330 2.581 ( -11.495 -0.000 0.000) 11.495 2.723 ( -1.923 -0.000 0.000) 1.923 3.716 ( 2.704 0.000 -0.000) 2.704 3.964 ( -8.332 -0.000 0.000) 8.332 4.142 ( -1.632 -0.000 0.000) 1.632 4.265 ( -5.794 -0.000 0.000) 5.794 4.694 ( -1.870 -0.000 0.000) 1.870 4.736 ( 16.184 0.000 -0.000) 16.184 4.843 ( 1.355 0.000 -0.000) 1.355 4.986 ( -2.149 -0.000 0.000) 2.149 5.089 ( 0.786 0.000 -0.000) 0.786======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( 0.000 3.181 -5.117) 6.025 1.894 ( 0.000 8.216 -2.220) 8.511 2.689 ( 0.000 0.398 -3.229) 3.254 3.238 ( 0.000 5.454 3.065) 6.256 3.842 ( -0.000 -3.721 1.614) 4.056 3.957 ( 0.000 2.477 -0.885) 2.631 4.197 ( -0.000 -7.951 1.938) 8.183 4.315 ( 0.000 18.303 6.846) 19.542 4.541 ( 0.000 1.313 -0.260) 1.338 4.984 ( 0.000 2.614 -1.851) 3.203 5.048 ( 0.000 0.257 -3.452) 3.462 5.891 ( -0.000 -9.807 -3.626) 10.456======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( -0.461 1.067 -4.356) 4.508 2.059 ( 10.059 6.264 -1.942) 12.007 2.674 ( 0.771 -2.093 -0.734) 2.348 3.342 ( 3.940 4.433 1.808) 6.200 3.820 ( 0.160 0.379 0.071) 0.417 3.953 ( -2.336 0.064 1.362) 2.704 4.180 ( 5.277 -5.541 0.208) 7.655 4.513 ( -0.384 9.400 3.469) 10.027 4.616 ( 5.343 8.653 3.494) 10.753 4.967 ( -2.847 0.672 -3.448) 4.522 5.045 ( -0.353 1.944 -1.875) 2.724 5.706 ( -7.241 -10.472 -3.906) 13.318======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.786 ( 2.818 1.314 -1.651) 3.520 2.339 ( 14.110 6.102 -0.412) 15.378 2.684 ( 2.999 -2.417 1.476) 4.125 3.459 ( 5.829 1.544 -0.870) 6.092 3.836 ( -0.301 -1.185 0.180) 1.236 3.935 ( -0.756 4.873 2.944) 5.743 4.230 ( 5.978 -5.070 -3.622) 8.635 4.579 ( 1.520 3.159 2.836) 4.509 4.824 ( 3.491 6.446 2.401) 7.714 4.896 ( -4.994 5.091 -3.518) 7.952 5.053 ( -0.077 0.851 0.521) 1.001 5.421 ( -11.172 -9.663 -3.077) 15.088======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 3.193 1.116 -0.175) 3.387 2.626 ( 9.567 6.464 -1.031) 11.592 2.738 ( 4.773 -2.874 3.542) 6.601 3.600 ( 11.418 -0.563 -1.687) 11.556 3.783 ( -2.604 -2.201 0.577) 3.458 4.041 ( 1.775 9.021 2.720) 9.588 4.240 ( 3.505 -6.514 -5.581) 9.266 4.659 ( 1.991 2.613 5.041) 6.017 4.764 ( -5.052 -1.415 -4.525) 6.928 4.935 ( -5.201 5.756 -1.541) 7.910 5.076 ( 1.153 0.216 3.688) 3.870 5.152 ( -6.908 -5.088 -1.683) 8.743======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 1.298 0.000 -0.000) 1.298 2.771 ( 1.801 0.000 -0.000) 1.801 2.772 ( 0.777 0.000 -0.000) 0.777 3.724 ( -2.621 -0.000 0.000) 2.621 3.868 ( 18.698 0.000 -0.000) 18.698 4.129 ( -1.030 -0.000 0.000) 1.030 4.228 ( 3.637 0.000 -0.000) 3.637 4.588 ( -10.489 -0.000 0.000) 10.489 4.759 ( 3.927 0.000 -0.000) 3.927 4.822 ( -6.487 -0.000 0.000) 6.487 5.077 ( -0.424 -0.000 0.000) 0.424 5.099 ( -0.915 -0.000 0.000) 0.915======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 0.000 -1.725 -5.001) 5.290 1.992 ( 0.000 3.352 -2.156) 3.986 2.633 ( -0.000 -3.408 -0.512) 3.446 3.372 ( 0.000 4.688 2.970) 5.550 3.821 ( 0.000 1.548 -0.650) 1.679 3.997 ( 0.000 1.635 -0.316) 1.665 4.069 ( -0.000 -5.958 2.240) 6.365 4.553 ( 0.000 0.285 -0.648) 0.708 4.737 ( 0.000 15.162 8.513) 17.388 4.993 ( 0.000 2.573 -4.806) 5.451 5.064 ( 0.000 1.717 -0.929) 1.952 5.640 ( -0.000 -11.890 -4.096) 12.576======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 2.320 -0.598 -1.995) 3.118 2.122 ( 11.807 1.582 -1.192) 11.972 2.618 ( 1.889 -2.063 0.074) 2.798 3.430 ( 1.328 2.352 1.201) 2.956 3.838 ( -0.430 0.846 -0.591) 1.119 3.991 ( -0.138 2.479 2.662) 3.640 4.079 ( 4.306 -4.164 -1.638) 6.211 4.568 ( 1.708 0.400 0.111) 1.757 4.867 ( -0.659 3.147 3.948) 5.091 5.021 ( -1.220 10.219 -3.294) 10.806 5.071 ( -0.479 0.363 1.447) 1.567 5.454 ( -5.999 -10.438 -3.220) 12.463======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 4.092 0.000 -0.000) 4.092 2.396 ( 16.921 0.000 -0.000) 16.921 2.659 ( 3.634 0.000 -0.000) 3.634 3.479 ( 3.310 0.000 -0.000) 3.310 3.813 ( -1.931 -0.000 0.000) 1.931 4.083 ( 2.742 0.000 -0.000) 2.742 4.091 ( 4.272 0.000 -0.000) 4.272 4.619 ( 3.442 0.000 -0.000) 3.442 4.834 ( -3.867 -0.000 0.000) 3.867 5.050 ( -2.030 -0.000 0.000) 2.030 5.093 ( 0.295 0.000 -0.000) 0.295 5.236 ( -9.621 -0.000 0.000) 9.621======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.854 ( -0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.079 ( -0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.437 ( 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: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.209 ( -0.000 0.000 19.969) 19.969 0.209 ( -0.000 0.000 19.969) 19.969 0.332 ( -0.000 0.000 31.736) 31.736 3.248 ( -0.000 -0.000 -1.367) 1.367 3.248 ( 0.000 -0.000 -1.367) 1.367 3.947 ( 0.000 -0.000 -3.807) 3.807 3.947 ( 0.000 -0.000 -3.807) 3.807 4.280 ( -0.000 0.000 3.802) 3.802 4.280 ( -0.000 0.000 3.802) 3.802 4.934 ( 0.000 -0.000 -8.511) 8.511 5.640 ( -0.000 0.000 6.198) 6.198 6.600 ( 0.000 -0.000 -0.443) 0.443======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.448 ( 13.695 7.907 8.428) 17.919 0.461 ( 13.659 7.886 8.942) 18.131 0.930 ( 28.303 16.341 13.825) 35.485 3.261 ( 0.454 0.262 -0.054) 0.527 3.346 ( 2.296 1.326 -8.047) 8.473 3.943 ( 0.393 0.227 -3.747) 3.774 4.093 ( 7.031 4.059 4.537) 9.300 4.300 ( 0.739 0.426 3.859) 3.952 4.654 ( 10.018 5.784 -15.468) 19.315 4.902 ( -0.481 -0.278 -9.265) 9.282 5.585 ( -6.572 -3.794 7.364) 10.574 6.354 ( -9.301 -5.370 4.095) 11.494======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 15.914 9.188 2.948) 18.611 0.828 ( 15.449 8.919 1.218) 17.880 1.602 ( 25.424 14.679 3.858) 29.610 3.270 ( 0.155 0.089 1.303) 1.315 3.411 ( 5.747 3.318 -3.608) 7.553 3.942 ( 0.603 0.348 -3.187) 3.263 4.284 ( 6.309 3.642 9.977) 12.353 4.338 ( 1.418 0.819 2.895) 3.326 4.768 ( 4.715 2.722 -7.046) 8.905 4.848 ( -1.290 -0.745 -7.809) 7.950 5.395 ( -11.304 -6.527 7.337) 14.974 6.142 ( -9.237 -5.333 -5.811) 12.146======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 14.278 8.243 -3.366) 16.827 1.202 ( 15.846 9.149 0.041) 18.298 2.126 ( 19.046 10.996 -3.856) 22.328 3.279 ( 0.116 0.067 2.567) 2.570 3.610 ( 11.116 6.418 4.017) 13.449 3.950 ( 0.915 0.528 -2.314) 2.544 4.384 ( 1.831 1.057 1.277) 2.470 4.419 ( 1.331 0.768 11.814) 11.913 4.800 ( -0.178 -0.103 -6.975) 6.978 4.840 ( 0.702 0.405 1.896) 2.062 5.144 ( -9.994 -5.770 3.540) 12.071 5.873 ( -10.433 -6.024 -13.939) 18.424======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 11.475 6.625 -5.905) 14.507 1.553 ( 13.995 8.080 -1.798) 16.260 2.490 ( 13.944 8.050 -5.139) 16.901 3.295 ( 0.342 0.198 3.522) 3.544 3.931 ( 13.153 7.594 8.239) 17.279 3.968 ( 1.118 0.645 -1.366) 1.879 4.430 ( -2.797 -1.615 9.799) 10.318 4.431 ( 1.977 1.141 -0.261) 2.297 4.690 ( -12.143 -7.011 12.857) 19.024 4.826 ( 2.239 1.293 -6.918) 7.385 5.028 ( -2.516 -1.453 -2.885) 4.094 5.594 ( -7.044 -4.067 -18.350) 20.072======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( 7.946 4.588 -5.700) 10.802 1.837 ( 10.545 6.088 -2.593) 12.449 2.772 ( 11.295 6.521 -2.662) 13.312 3.317 ( 0.385 0.223 3.760) 3.786 3.991 ( 1.037 0.599 -0.577) 1.329 4.194 ( 3.799 2.193 6.649) 7.966 4.412 ( -0.903 -0.521 7.119) 7.195 4.446 ( -9.153 -5.284 12.826) 16.619 4.474 ( 1.836 1.060 -1.015) 2.350 4.836 ( -3.960 -2.286 -7.597) 8.867 4.916 ( -0.213 -0.123 -6.703) 6.708 5.470 ( 0.144 0.083 -10.932) 10.933======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 4.442 2.565 -3.650) 6.296 2.024 ( 6.037 3.486 -2.216) 7.315 2.989 ( 7.329 4.231 -2.936) 8.958 3.332 ( -0.205 -0.119 2.917) 2.927 4.010 ( 0.620 0.358 -0.085) 0.721 4.150 ( -4.886 -2.821 0.863) 5.708 4.250 ( -8.403 -4.852 8.908) 13.172 4.492 ( 0.369 0.213 0.305) 0.524 4.509 ( 1.349 0.779 -0.751) 1.729 4.734 ( 1.479 0.854 -3.624) 4.006 4.968 ( 2.900 1.674 0.417) 3.374 5.464 ( 1.046 0.604 -4.996) 5.140======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 1.338 0.773 -1.216) 1.966 2.102 ( 0.932 0.538 -0.867) 1.382 3.062 ( -0.080 -0.046 -6.312) 6.313 3.323 ( -1.209 -0.698 1.070) 1.759 4.017 ( -0.014 -0.008 0.072) 0.074 4.072 ( -0.757 -0.437 -3.095) 3.216 4.108 ( -4.159 -2.401 0.682) 4.850 4.498 ( 0.353 0.204 1.205) 1.272 4.530 ( 0.472 0.272 0.182) 0.575 4.800 ( 2.442 1.410 4.554) 5.357 5.018 ( 0.387 0.224 3.478) 3.507 5.485 ( 2.015 1.163 -1.593) 2.820======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -1.647 -0.951 1.621) 2.499 2.059 ( -4.596 -2.654 0.893) 5.382 2.966 ( -5.342 -3.084 -5.380) 8.185 3.286 ( -1.757 -1.014 -1.231) 2.373 4.010 ( -0.587 -0.339 -0.069) 0.681 4.060 ( 1.172 0.677 -7.627) 7.746 4.107 ( 3.861 2.229 -2.726) 5.226 4.452 ( -5.629 -3.250 -1.410) 6.651 4.530 ( -0.701 -0.405 1.145) 1.403 4.884 ( 3.035 1.752 7.332) 8.127 5.020 ( -0.645 -0.372 4.496) 4.557 5.560 ( 4.097 2.366 4.284) 6.382======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -6.165 -3.560 4.267) 8.300 1.891 ( -10.140 -5.855 2.292) 11.931 2.807 ( -7.253 -4.188 0.235) 8.379 3.241 ( -1.242 -0.717 -3.107) 3.422 3.992 ( -0.820 -0.474 -0.439) 1.044 4.039 ( -3.442 -1.987 -8.529) 9.410 4.225 ( 2.304 1.330 -6.398) 6.929 4.281 ( 0.685 0.396 -4.977) 5.040 4.504 ( -1.921 -1.109 1.644) 2.761 4.942 ( -0.251 -0.145 3.671) 3.682 5.049 ( 1.380 0.797 4.357) 4.639 5.711 ( 6.452 3.725 10.935) 13.231======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -11.885 -6.862 4.938) 14.585 1.606 ( -14.618 -8.440 2.955) 17.136 2.597 ( -12.640 -7.298 4.438) 15.255 3.212 ( -0.122 -0.071 -3.965) 3.968 3.801 ( -11.096 -6.406 -3.759) 13.353 3.972 ( -0.623 -0.360 -0.970) 1.208 4.194 ( 1.345 0.776 -11.282) 11.389 4.453 ( -2.828 -1.633 1.643) 3.655 4.496 ( 12.222 7.056 -6.257) 15.437 4.930 ( -1.208 -0.697 2.801) 3.129 5.076 ( 0.218 0.126 1.838) 1.855 5.922 ( 7.533 4.349 12.332) 15.091======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( -17.128 -9.889 3.390) 20.066 1.269 ( -16.041 -9.261 4.493) 19.060 2.188 ( -23.388 -13.503 2.172) 27.093 3.207 ( 0.767 0.443 -3.953) 4.051 3.598 ( -5.733 -3.310 2.249) 6.992 3.958 ( -0.157 -0.091 -1.629) 1.639 4.168 ( -0.689 -0.398 -10.703) 10.733 4.387 ( -3.073 -1.774 1.567) 3.879 4.726 ( 7.264 4.194 -5.508) 10.034 4.916 ( -0.224 -0.129 0.068) 0.267 5.126 ( 5.026 2.902 2.513) 6.324 6.126 ( 6.303 3.639 9.234) 11.757======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( -17.723 -10.233 4.650) 20.987 0.881 ( -17.963 -10.371 4.501) 21.225 1.546 ( -30.494 -17.606 0.093) 35.212 3.217 ( 1.117 0.645 -3.412) 3.647 3.514 ( -3.158 -1.823 4.258) 5.606 3.952 ( 0.255 0.147 -2.433) 2.451 4.088 ( -3.194 -1.844 -6.878) 7.804 4.326 ( -2.524 -1.457 1.960) 3.512 4.783 ( 0.318 0.184 -4.095) 4.112 4.926 ( 1.457 0.841 -3.198) 3.614 5.331 ( 9.864 5.695 3.041) 11.789 6.274 ( 4.038 2.332 5.539) 7.241======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.544 ( 0.000 18.717 8.800) 20.683 0.571 ( 0.000 15.832 12.967) 20.465 0.927 ( 0.000 29.259 15.758) 33.233 3.202 ( 0.000 -1.767 -3.381) 3.815 3.407 ( 0.000 7.259 -5.913) 9.362 3.906 ( 0.000 -0.405 -4.870) 4.886 4.002 ( 0.000 2.616 1.075) 2.829 4.328 ( -0.000 1.380 4.567) 4.771 4.595 ( 0.000 10.832 -12.011) 16.174 4.864 ( 0.000 -0.629 -10.871) 10.890 5.615 ( -0.000 -7.356 8.216) 11.028 6.425 ( -0.000 -6.953 4.211) 8.128======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( 3.023 15.591 10.133) 18.838 0.835 ( 5.925 19.344 3.833) 20.591 1.442 ( 16.121 24.980 6.749) 30.486 3.220 ( 4.668 -1.277 -2.361) 5.385 3.412 ( -2.679 6.009 -3.042) 7.249 3.936 ( 1.451 1.903 -5.160) 5.688 4.123 ( 10.000 -2.122 5.305) 11.517 4.372 ( 1.279 2.810 4.647) 5.579 4.687 ( 4.439 4.869 -8.606) 10.838 4.814 ( -0.080 -1.737 -9.968) 10.118 5.497 ( -6.238 -9.967 8.132) 14.296 6.272 ( -10.160 -3.886 -0.834) 10.909======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 8.325 13.475 4.209) 16.389 1.156 ( 8.177 17.169 0.407) 19.021 1.955 ( 15.209 18.390 -2.167) 23.962 3.294 ( 1.987 1.846 0.513) 2.760 3.491 ( 7.627 4.679 2.084) 9.187 3.954 ( -0.095 2.776 -3.474) 4.448 4.261 ( 7.169 -5.755 5.110) 10.518 4.466 ( 2.640 3.461 6.917) 8.173 4.762 ( 0.453 0.144 -9.887) 9.898 4.794 ( 5.172 1.688 -2.957) 6.192 5.269 ( -9.989 -10.074 6.382) 15.556 6.003 ( -13.979 -3.803 -7.837) 16.471======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 9.261 10.463 -1.881) 14.099 1.471 ( 9.066 14.808 -0.588) 17.372 2.339 ( 12.492 12.761 -5.344) 18.640 3.330 ( -0.554 3.266 1.722) 3.734 3.764 ( 13.943 4.270 5.463) 15.572 3.978 ( 0.688 3.467 -0.091) 3.535 4.308 ( 4.422 -6.663 2.819) 8.479 4.538 ( -0.611 2.208 5.909) 6.338 4.762 ( 2.203 0.326 -3.926) 4.514 4.845 ( -3.910 -3.415 5.826) 7.803 5.052 ( -4.019 -3.057 -1.293) 5.212 5.667 ( -13.876 -4.234 -14.728) 20.674======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 7.921 7.192 -4.690) 11.681 1.763 ( 8.014 12.662 -1.050) 15.021 2.639 ( 10.919 8.990 -2.913) 14.440 3.363 ( -0.878 4.380 2.249) 5.001 3.952 ( 3.714 -0.494 -1.238) 3.946 4.115 ( 7.812 1.355 6.726) 10.397 4.338 ( 5.188 -2.158 3.097) 6.416 4.558 ( -1.559 3.666 4.054) 5.684 4.625 ( -11.859 -7.472 10.685) 17.625 4.827 ( 2.879 2.558 -4.313) 5.782 4.962 ( -8.428 -1.577 -6.160) 10.558 5.416 ( -2.179 -2.444 -13.575) 13.965======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 5.702 4.373 -4.167) 8.307 1.991 ( 4.865 10.249 -1.472) 11.440 2.878 ( 8.306 4.706 -1.179) 9.619 3.401 ( -1.714 6.022 1.479) 6.433 3.969 ( 0.777 -3.083 0.265) 3.190 4.185 ( 2.088 -2.719 0.649) 3.489 4.394 ( -9.969 -5.278 8.713) 14.253 4.465 ( 3.517 2.205 1.904) 4.567 4.592 ( -4.837 5.859 3.342) 8.300 4.717 ( -4.194 -1.447 -8.884) 9.930 4.917 ( 4.035 1.207 -0.356) 4.227 5.398 ( 3.360 -1.715 -5.914) 7.015======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 3.019 1.942 -2.618) 4.443 2.126 ( 0.543 7.451 -1.048) 7.544 2.989 ( 2.824 -1.528 -3.523) 4.767 3.427 ( -3.691 7.727 -0.706) 8.592 3.930 ( 1.109 -5.786 -0.859) 5.954 4.178 ( -4.608 2.719 0.712) 5.398 4.215 ( -7.367 0.338 -1.293) 7.488 4.488 ( 0.755 -0.681 0.476) 1.123 4.545 ( -1.216 2.500 1.998) 3.424 4.778 ( 3.724 2.445 3.243) 5.510 4.994 ( 3.092 -1.021 3.810) 5.012 5.421 ( 3.417 -1.845 -3.609) 5.301======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 0.619 -0.244 -0.698) 0.964 2.150 ( -4.564 4.184 0.301) 6.199 2.937 ( -1.338 -5.783 -6.208) 8.589 3.413 ( -6.444 8.015 -1.965) 10.470 3.915 ( 3.519 -4.494 -1.474) 5.895 4.076 ( -3.450 -0.154 -3.547) 4.951 4.173 ( -4.247 6.412 -1.886) 7.919 4.519 ( -0.788 1.681 0.525) 1.929 4.551 ( -2.030 1.117 2.690) 3.551 4.871 ( 3.258 1.390 6.581) 7.474 5.018 ( 0.854 -2.863 4.364) 5.289 5.477 ( 6.114 -1.613 0.294) 6.331======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( -2.330 -2.538 1.713) 3.847 2.046 ( -10.141 0.112 1.778) 10.297 2.824 ( -2.070 -5.872 -4.087) 7.448 3.357 ( -7.746 7.360 -1.607) 10.805 3.936 ( 3.460 -3.290 -1.378) 4.969 4.037 ( -0.719 0.916 -9.155) 9.228 4.178 ( 0.480 3.163 -0.197) 3.206 4.407 ( -11.195 0.693 -1.020) 11.262 4.542 ( -1.391 1.162 0.610) 1.913 4.951 ( 1.026 0.556 3.703) 3.882 5.036 ( 2.255 -0.595 4.179) 4.785 5.613 ( 9.515 -1.295 6.820) 11.779======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -8.362 -5.382 3.590) 10.573 1.815 ( -14.323 -3.240 1.983) 14.818 2.710 ( -5.227 -4.936 0.679) 7.221 3.292 ( -6.575 6.358 -1.647) 9.293 3.898 ( -9.269 -6.493 -4.863) 12.318 3.957 ( 1.684 -1.247 -1.727) 2.716 4.199 ( -3.154 2.741 -7.711) 8.770 4.336 ( 5.556 2.982 0.090) 6.306 4.529 ( -1.923 3.374 -0.711) 3.949 4.951 ( -0.992 -0.916 2.163) 2.550 5.077 ( 0.633 0.184 1.305) 1.462 5.820 ( 10.992 -0.349 9.421) 14.481======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -16.270 -8.501 4.044) 18.798 1.527 ( -15.587 -3.074 1.680) 15.976 2.472 ( -17.353 -6.450 1.718) 18.592 3.250 ( -4.122 5.315 -2.225) 7.084 3.648 ( -7.203 -6.922 -0.654) 10.011 3.976 ( 0.747 1.503 -0.130) 1.684 4.146 ( -2.254 1.217 -8.427) 8.807 4.419 ( -0.277 -1.366 2.131) 2.546 4.625 ( 7.576 7.421 -4.492) 11.517 4.926 ( -1.211 -0.803 0.310) 1.486 5.087 ( 1.493 -0.181 1.414) 2.064 6.032 ( 9.765 -0.466 6.819) 11.919======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -18.274 -8.046 4.168) 20.397 1.196 ( -19.192 -2.695 1.641) 19.450 1.981 ( -29.737 -6.279 0.585) 30.398 3.237 ( -2.059 4.058 -2.384) 5.137 3.517 ( -1.789 -5.396 1.524) 5.885 4.014 ( -0.980 5.624 1.795) 5.984 4.074 ( -2.323 -2.139 -6.623) 7.337 4.379 ( -3.198 -0.326 2.517) 4.083 4.772 ( 2.378 3.345 -3.541) 5.421 4.900 ( -0.060 0.084 -4.494) 4.495 5.197 ( 9.732 1.075 4.185) 10.649 6.189 ( 7.501 -1.977 2.552) 8.167======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( 0.000 18.759 5.565) 19.567 0.983 ( 0.000 17.134 8.113) 18.957 1.619 ( 0.000 30.374 5.482) 30.864 3.142 ( 0.000 -1.455 -3.516) 3.806 3.516 ( 0.000 6.845 -3.222) 7.565 3.873 ( 0.000 0.383 -4.277) 4.294 4.068 ( -0.000 1.503 4.120) 4.386 4.393 ( -0.000 2.037 3.659) 4.188 4.673 ( 0.000 4.013 -5.162) 6.538 4.760 ( 0.000 -1.601 -10.497) 10.619 5.464 ( -0.000 -12.380 7.589) 14.521 6.325 ( -0.000 -4.821 -0.941) 4.912======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 0.330 17.388 6.482) 18.560 1.232 ( 4.168 17.024 2.349) 17.684 1.982 ( 5.880 25.014 -1.237) 25.726 3.195 ( 7.651 0.235 -1.614) 7.823 3.528 ( -3.109 6.595 0.389) 7.302 3.942 ( 4.642 2.192 -4.820) 7.041 4.114 ( 3.711 -2.896 6.536) 8.055 4.456 ( 3.144 2.243 4.065) 5.607 4.684 ( 2.200 -4.563 -4.879) 7.033 4.752 ( 1.642 5.753 -7.783) 9.817 5.311 ( -5.138 -12.210 5.679) 14.413 6.173 ( -10.238 -4.279 -4.019) 11.801======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 1.977 14.420 1.496) 14.632 1.500 ( 6.406 16.152 1.766) 17.466 2.297 ( 6.999 17.376 -5.363) 19.485 3.342 ( 5.270 2.722 -1.214) 6.054 3.621 ( 6.617 5.507 3.733) 9.384 4.005 ( 0.895 3.751 0.170) 3.860 4.169 ( 4.968 -5.702 3.997) 8.554 4.546 ( 2.496 0.731 3.249) 4.162 4.681 ( 4.690 -3.560 -1.961) 6.206 4.832 ( 2.781 3.102 -2.764) 5.000 5.103 ( -6.829 -7.869 1.411) 10.514 5.872 ( -16.290 -3.804 -8.098) 18.585======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 3.508 10.154 -2.100) 10.946 1.788 ( 6.404 15.935 1.784) 17.266 2.563 ( 8.229 11.597 -2.992) 14.531 3.426 ( 0.887 5.650 -0.513) 5.742 3.815 ( 9.335 -0.168 -1.856) 9.519 4.055 ( 0.908 -2.285 5.957) 6.444 4.246 ( 6.621 2.537 3.835) 8.061 4.578 ( 1.418 -0.264 -1.419) 2.023 4.724 ( -0.841 -7.561 11.645) 13.910 4.809 ( -2.496 1.944 -5.178) 6.068 5.019 ( 0.784 0.910 -3.527) 3.725 5.502 ( -15.909 -3.332 -10.790) 19.509======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 3.945 6.912 -2.463) 8.331 2.043 ( 3.940 14.633 0.976) 15.186 2.794 ( 7.540 6.335 0.556) 9.864 3.499 ( -0.522 8.506 -0.790) 8.559 3.921 ( 3.360 -1.870 -1.195) 4.026 4.045 ( 5.349 -6.785 0.925) 8.689 4.436 ( 5.001 5.077 3.623) 7.995 4.534 ( -7.421 -5.897 3.978) 10.280 4.631 ( 1.422 1.641 1.916) 2.896 4.857 ( 1.957 1.886 -1.396) 3.056 4.914 ( -12.779 1.594 -5.182) 13.881 5.299 ( 1.060 -2.969 -5.278) 6.148======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 2.639 4.165 -1.892) 5.281 2.221 ( 0.245 12.200 0.477) 12.212 2.931 ( 2.936 0.479 0.556) 3.026 3.567 ( -2.274 10.322 -2.911) 10.963 3.874 ( -1.341 -5.474 0.026) 5.636 4.176 ( 10.013 2.396 -2.280) 10.545 4.332 ( -8.784 -3.344 -0.563) 9.416 4.495 ( -2.414 -0.634 0.740) 2.603 4.667 ( -6.909 2.027 0.492) 7.217 4.754 ( 2.116 5.071 2.685) 6.116 4.934 ( 3.288 -0.669 2.477) 4.171 5.315 ( 3.935 -3.413 -2.721) 5.876======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 0.626 1.569 -1.283) 2.121 2.299 ( -4.091 9.134 0.991) 10.057 2.904 ( -2.593 -4.263 -2.899) 5.771 3.599 ( -4.588 10.350 -4.904) 12.338 3.823 ( 1.437 -3.574 -0.886) 3.953 4.156 ( -7.156 -1.202 -2.906) 7.816 4.310 ( -3.575 6.269 -3.080) 7.846 4.485 ( 5.625 0.627 1.123) 5.770 4.645 ( -2.162 4.183 6.854) 8.315 4.847 ( 2.578 1.685 3.634) 4.764 4.967 ( 1.943 -4.290 3.922) 6.129 5.340 ( 4.871 -4.221 -2.204) 6.812======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -1.073 -0.737 -0.310) 1.338 2.258 ( -9.790 4.946 2.201) 11.188 2.786 ( -2.443 -4.980 -4.268) 6.998 3.584 ( -7.422 10.051 -3.339) 12.933 3.835 ( 3.425 -2.626 -0.652) 4.365 4.045 ( -3.133 0.800 -7.565) 8.227 4.253 ( -4.718 0.977 2.810) 5.577 4.572 ( 0.401 3.790 -2.476) 4.545 4.630 ( -9.756 3.808 3.957) 11.196 4.935 ( 3.356 0.877 3.745) 5.105 4.978 ( 4.211 -2.454 3.506) 6.004 5.412 ( 9.855 -5.860 2.020) 11.642======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -4.007 -2.660 0.739) 4.866 2.067 ( -15.045 0.083 2.230) 15.210 2.711 ( -0.883 -2.788 -1.771) 3.419 3.517 ( -9.501 8.076 -0.851) 12.499 3.879 ( 3.853 -1.594 -0.280) 4.179 3.969 ( -4.744 -1.047 -8.449) 9.746 4.215 ( -0.603 0.854 1.467) 1.801 4.448 ( -11.498 1.323 2.465) 11.834 4.588 ( -1.309 3.522 -1.948) 4.232 4.954 ( 0.122 -1.216 0.753) 1.435 5.067 ( 1.937 1.804 0.697) 2.737 5.591 ( 14.554 -5.043 5.314) 16.294======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -11.055 -4.034 1.248) 11.834 1.780 ( -16.138 -1.339 1.086) 16.230 2.635 ( -6.355 -2.160 -0.603) 6.739 3.424 ( -8.182 5.125 0.085) 9.655 3.758 ( -11.929 -3.152 -2.005) 12.500 3.938 ( 3.462 -0.070 0.588) 3.512 4.212 ( -3.453 3.280 -6.822) 8.320 4.387 ( 2.267 -0.129 7.315) 7.659 4.606 ( 0.815 4.190 -2.465) 4.929 4.935 ( -0.825 -1.352 -0.090) 1.586 5.082 ( -0.612 0.377 -0.929) 1.175 5.817 ( 13.738 -3.938 2.292) 14.474======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( -17.726 -2.499 1.304) 17.949 1.492 ( -16.388 -0.936 -0.238) 16.416 2.386 ( -19.349 -1.258 -2.558) 19.557 3.339 ( -5.096 1.233 0.716) 5.291 3.562 ( -7.854 0.876 1.519) 8.048 4.001 ( 2.566 -0.439 1.014) 2.794 4.158 ( -3.618 4.540 -2.628) 6.373 4.433 ( -1.049 -0.036 5.308) 5.411 4.716 ( 6.601 3.174 -1.172) 7.417 4.901 ( -1.159 -0.882 -2.401) 2.808 5.085 ( 2.799 -0.748 0.499) 2.940 5.990 ( 10.843 -4.827 -3.012) 12.245======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 0.000 15.929 1.994) 16.054 1.366 ( 0.000 16.163 3.475) 16.532 2.198 ( 0.000 24.469 -2.884) 24.639 3.110 ( 0.000 0.425 -1.391) 1.454 3.658 ( 0.000 8.517 1.401) 8.632 3.868 ( 0.000 1.682 -2.944) 3.391 4.099 ( -0.000 -2.531 6.843) 7.296 4.457 ( 0.000 2.231 2.032) 3.018 4.589 ( -0.000 -7.246 -2.965) 7.830 4.779 ( 0.000 6.788 -6.115) 9.136 5.248 ( -0.000 -11.455 3.207) 11.895 6.203 ( -0.000 -5.428 -4.346) 6.954======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( -0.636 12.452 -1.034) 12.511 1.576 ( 4.398 15.747 2.476) 16.536 2.403 ( 0.521 17.922 -5.480) 18.748 3.206 ( 8.629 1.708 -0.942) 8.847 3.695 ( -3.891 7.971 3.133) 9.407 3.985 ( 7.237 5.060 -0.425) 8.841 4.084 ( 0.064 -4.862 7.076) 8.586 4.508 ( 2.014 -1.563 -0.620) 2.624 4.535 ( 4.531 -5.453 1.967) 7.358 4.837 ( 0.809 6.082 -4.598) 7.667 5.118 ( -3.606 -7.686 -0.053) 8.491 6.040 ( -9.688 -5.431 -6.152) 12.697======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 0.483 8.948 -2.574) 9.323 1.849 ( 6.742 15.964 2.714) 17.540 2.570 ( 3.474 11.654 -2.992) 12.523 3.381 ( 8.644 2.647 -2.870) 9.485 3.727 ( 0.062 3.201 0.380) 3.224 4.046 ( -1.001 -5.179 5.888) 7.905 4.192 ( 7.151 8.463 4.852) 12.095 4.496 ( 3.632 -5.694 -3.296) 7.516 4.636 ( 6.268 -1.814 7.005) 9.573 4.869 ( -2.287 2.350 -3.105) 4.516 5.004 ( -1.413 -0.809 -3.681) 4.025 5.732 ( -15.864 -4.729 -7.457) 18.156======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 2.242 6.921 -1.703) 7.472 2.132 ( 5.256 15.759 2.588) 16.813 2.741 ( 5.906 5.829 1.290) 8.397 3.550 ( 6.115 7.239 -3.017) 9.944 3.771 ( 4.932 -1.195 -2.585) 5.695 3.976 ( -2.076 -6.480 4.350) 8.075 4.422 ( 5.558 8.063 4.994) 10.993 4.486 ( 3.128 -5.485 -3.581) 7.259 4.698 ( -2.653 -1.051 6.996) 7.556 4.830 ( 0.897 2.213 -4.147) 4.785 5.021 ( 1.134 1.658 -3.395) 3.945 5.377 ( -14.905 -3.703 -5.364) 16.267======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 2.111 5.092 -0.672) 5.553 2.352 ( 1.237 14.053 1.984) 14.246 2.882 ( 4.415 0.823 3.108) 5.461 3.697 ( -0.520 11.922 -2.907) 12.282 3.854 ( -0.152 -4.220 -0.105) 4.224 3.934 ( 12.387 -3.398 -1.179) 12.899 4.399 ( -3.389 -3.755 -6.475) 8.216 4.566 ( -2.735 1.454 6.598) 7.289 4.677 ( 2.220 2.481 0.318) 3.345 4.868 ( -0.073 -0.213 -0.959) 0.985 4.953 ( -7.939 3.816 -2.015) 9.036 5.217 ( 1.459 -3.418 0.431) 3.741======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 0.303 2.896 -0.346) 2.932 2.473 ( -2.825 11.212 1.973) 11.729 2.904 ( -1.566 -3.349 0.640) 3.752 3.729 ( -2.990 3.021 -4.483) 6.178 3.811 ( -1.215 4.810 -1.085) 5.078 4.227 ( 12.315 0.996 -0.725) 12.376 4.265 ( -0.837 1.478 -6.369) 6.591 4.478 ( -6.446 -2.012 3.083) 7.423 4.725 ( -0.853 1.034 4.985) 5.162 4.850 ( 1.364 2.070 -0.735) 2.585 4.932 ( -1.250 0.331 2.806) 3.090 5.225 ( 2.500 -4.297 -0.685) 5.018======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -1.540 0.813 -0.267) 1.762 2.491 ( -7.719 7.755 2.888) 11.316 2.788 ( -4.575 -4.979 -2.319) 7.148 3.715 ( 0.949 1.510 -2.590) 3.145 3.834 ( -4.020 7.789 -2.378) 9.082 4.109 ( -5.916 -0.387 -6.187) 8.569 4.355 ( -5.635 -2.374 5.068) 7.941 4.555 ( 8.103 6.678 -4.547) 11.442 4.795 ( 5.634 3.778 8.728) 11.054 4.874 ( -3.506 -4.751 2.845) 6.554 4.904 ( 1.694 1.794 -0.827) 2.602 5.215 ( 3.923 -7.020 -0.902) 8.092======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -2.838 -0.525 -0.147) 2.890 2.347 ( -14.449 1.209 2.181) 14.663 2.701 ( -0.943 -0.861 -0.652) 1.434 3.745 ( -5.215 5.789 -1.342) 7.906 3.804 ( 0.057 -0.182 0.439) 0.479 4.013 ( -3.443 2.700 -9.296) 10.275 4.267 ( -3.448 -2.601 7.360) 8.534 4.632 ( -0.573 3.562 -3.450) 4.992 4.681 ( -12.321 -1.540 2.090) 12.591 4.934 ( 0.994 -0.040 -0.804) 1.280 5.046 ( 5.945 5.932 1.473) 8.526 5.262 ( 13.946 -9.943 1.728) 17.214======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( -5.706 -0.807 -0.851) 5.825 2.068 ( -16.686 -1.193 1.016) 16.759 2.692 ( -1.721 1.054 1.067) 2.283 3.607 ( -9.963 -0.412 -0.805) 10.004 3.873 ( 4.418 0.302 1.425) 4.652 3.938 ( -7.322 4.548 -4.809) 9.871 4.249 ( 0.167 0.799 3.516) 3.610 4.463 ( -9.147 -2.076 4.103) 10.238 4.632 ( -1.123 1.606 -1.802) 2.662 4.932 ( -0.404 -0.535 -1.495) 1.638 5.098 ( -0.530 0.382 -1.133) 1.308 5.497 ( 17.050 -4.328 -1.751) 17.678======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( -11.790 0.573 -2.388) 12.043 1.770 ( -16.099 -0.159 0.039) 16.100 2.619 ( -8.977 1.546 -2.064) 9.341 3.424 ( -6.941 -4.244 0.268) 8.140 3.812 ( -11.507 6.963 2.405) 13.663 3.961 ( 2.756 1.107 2.743) 4.043 4.243 ( -3.152 3.544 -3.607) 5.959 4.433 ( 3.392 -1.903 11.424) 12.068 4.633 ( 2.375 -1.196 0.214) 2.668 4.903 ( -1.278 -0.464 -3.152) 3.433 5.075 ( -0.882 -0.559 -1.618) 1.925 5.705 ( 13.091 -4.358 -8.128) 16.013======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 0.000 9.887 -3.183) 10.387 1.672 ( 0.000 12.661 -0.798) 12.686 2.544 ( 0.000 12.821 -6.397) 14.328 3.153 ( 0.000 3.617 2.037) 4.151 3.897 ( 0.000 8.513 7.839) 11.573 3.899 ( 0.000 2.717 -1.610) 3.158 4.074 ( -0.000 -0.824 6.527) 6.578 4.401 ( -0.000 -10.011 1.227) 10.086 4.507 ( 0.000 1.860 0.325) 1.889 4.881 ( 0.000 6.184 -4.015) 7.373 5.079 ( -0.000 -5.055 -2.351) 5.575 6.041 ( -0.000 -6.823 -6.601) 9.493======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( -1.057 6.162 -4.637) 7.784 1.868 ( 7.564 11.708 -0.982) 13.974 2.629 ( 0.607 7.479 -3.305) 8.199 3.261 ( 5.852 3.793 1.168) 7.071 3.823 ( -5.124 2.174 2.071) 5.938 4.001 ( 2.115 -5.380 4.240) 7.169 4.220 ( 4.244 13.807 6.503) 15.841 4.342 ( 3.792 -7.892 0.960) 8.808 4.558 ( 3.771 1.199 1.291) 4.162 4.920 ( -0.978 4.175 -3.332) 5.430 5.013 ( -1.718 -1.341 -3.868) 4.439 5.866 ( -8.519 -7.128 -7.196) 13.235======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 1.762 4.707 -2.789) 5.748 2.150 ( 10.199 11.897 0.107) 15.671 2.710 ( 3.308 2.613 1.222) 4.389 3.418 ( 8.326 2.412 -1.430) 8.786 3.793 ( -2.060 3.643 1.436) 4.425 3.964 ( -1.460 -5.078 3.410) 6.289 4.336 ( 5.263 -6.327 -1.074) 8.300 4.455 ( 3.003 10.347 4.022) 11.500 4.681 ( 6.075 3.250 3.564) 7.757 4.871 ( -4.478 0.193 -4.118) 6.087 5.007 ( 0.829 2.727 -2.698) 3.924 5.572 ( -13.424 -6.451 -6.211) 16.137======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 2.889 3.960 -0.720) 4.954 2.432 ( 6.793 11.859 0.446) 13.674 2.808 ( 5.377 -0.888 4.487) 7.059 3.605 ( 12.970 -0.067 -2.653) 13.239 3.836 ( -0.194 7.017 0.824) 7.068 3.880 ( -3.660 -3.215 2.028) 5.277 4.336 ( 2.434 -5.267 -5.421) 7.940 4.604 ( 3.310 4.966 5.564) 8.159 4.743 ( -5.620 2.023 -1.471) 6.151 4.837 ( 2.589 1.748 -1.620) 3.519 5.046 ( 0.378 2.564 -1.999) 3.273 5.267 ( -10.775 -4.999 -1.331) 11.952======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 1.502 2.539 0.052) 2.950 2.612 ( 0.959 9.869 0.771) 9.945 2.875 ( 1.924 -3.399 3.152) 5.019 3.758 ( -2.233 -3.334 -1.143) 4.172 3.872 ( 11.873 0.430 -0.640) 11.898 3.962 ( 5.265 11.220 0.310) 12.397 4.280 ( -0.952 -3.551 -5.966) 7.008 4.605 ( -8.026 -0.690 1.945) 8.287 4.733 ( 2.995 2.207 1.846) 4.153 4.838 ( -2.048 -1.509 -1.608) 3.009 5.016 ( -3.481 3.381 -1.834) 5.188 5.163 ( 0.474 -3.145 2.616) 4.118======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -0.802 0.885 0.072) 1.197 2.683 ( -3.457 7.647 2.009) 8.629 2.809 ( -3.967 -5.936 -0.359) 7.148 3.697 ( -0.584 -0.848 -0.379) 1.097 3.994 ( -2.198 10.842 -2.571) 11.357 4.155 ( -0.889 -4.051 -2.463) 4.823 4.335 ( 17.166 4.821 -2.627) 18.023 4.448 ( -7.005 -3.460 3.560) 8.586 4.756 ( -1.547 -1.600 2.287) 3.191 4.824 ( 2.986 -1.099 -0.371) 3.203 5.012 ( -2.638 4.868 0.426) 5.553 5.128 ( -0.596 -5.223 0.274) 5.264======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -2.364 -0.010 0.029) 2.364 2.582 ( -11.252 -3.084 0.260) 11.670 2.732 ( -1.786 2.792 1.829) 3.786 3.721 ( 2.803 0.719 0.923) 3.037 3.964 ( -8.536 0.466 -0.042) 8.549 4.091 ( -3.327 7.075 -7.454) 10.802 4.317 ( -4.054 -5.166 7.459) 9.937 4.639 ( 4.729 4.346 -7.614) 9.961 4.753 ( 6.781 -5.634 0.889) 8.861 4.858 ( 3.483 -1.599 2.334) 4.488 4.991 ( -1.793 -0.947 1.190) 2.351 5.089 ( 0.724 1.111 -0.007) 1.326======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( -3.484 0.302 -0.605) 3.549 2.320 ( -13.737 -3.736 -0.256) 14.239 2.751 ( -1.537 3.844 3.898) 5.686 3.758 ( -9.591 -4.554 -0.485) 10.628 3.807 ( 3.523 1.124 1.214) 3.892 4.083 ( -4.710 8.653 -6.076) 11.575 4.256 ( -0.345 -4.339 9.501) 10.451 4.592 ( -5.098 -2.896 -3.788) 6.981 4.703 ( -6.711 1.769 0.216) 6.944 4.922 ( 1.279 -0.661 -1.611) 2.160 5.009 ( 8.496 -11.216 -1.882) 14.196 5.227 ( 8.919 8.026 -1.262) 12.065======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( -6.179 1.679 -2.862) 7.013 2.038 ( -14.601 -1.622 -0.542) 14.701 2.760 ( -4.321 4.115 2.476) 6.461 3.514 ( -9.492 -6.358 -0.696) 11.446 3.905 ( 3.787 1.783 1.905) 4.599 4.062 ( -5.204 7.376 -0.707) 9.055 4.289 ( 3.304 -1.406 8.488) 9.217 4.435 ( -6.869 -2.147 2.395) 7.585 4.623 ( -2.820 -2.214 0.778) 3.668 4.914 ( -0.852 0.103 -2.896) 3.021 5.019 ( 4.326 -6.180 -4.022) 8.549 5.445 ( 9.888 2.821 -7.956) 13.001======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 0.000 2.814 -6.707) 7.273 1.868 ( 0.000 7.941 -2.723) 8.395 2.663 ( 0.000 2.386 -1.707) 2.934 3.275 ( 0.000 5.654 3.869) 6.851 3.878 ( -0.000 -6.955 5.257) 8.718 3.949 ( 0.000 2.793 -0.690) 2.877 4.225 ( -0.000 -8.095 3.383) 8.774 4.390 ( 0.000 18.987 7.373) 20.368 4.535 ( 0.000 1.098 -0.880) 1.407 4.956 ( 0.000 2.333 -3.507) 4.212 5.008 ( 0.000 1.150 -3.941) 4.106 5.833 ( -0.000 -8.827 -7.528) 11.601======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 0.915 1.840 -4.315) 4.779 2.035 ( 10.723 6.312 -2.606) 12.713 2.678 ( 1.552 -1.326 1.434) 2.495 3.364 ( 2.403 4.369 2.402) 5.535 3.836 ( -0.031 -1.448 3.038) 3.366 3.966 ( -1.017 0.631 0.917) 1.508 4.190 ( 3.407 -6.679 1.699) 7.688 4.537 ( 0.129 4.750 1.302) 4.927 4.658 ( 4.557 13.429 4.377) 14.841 4.923 ( -2.761 -0.088 -4.850) 5.582 5.026 ( -0.028 3.509 -1.784) 3.936 5.649 ( -6.888 -9.300 -7.025) 13.538======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 3.659 2.045 -1.223) 4.366 2.324 ( 14.616 6.124 -2.211) 16.001 2.715 ( 4.249 -3.026 4.348) 6.791 3.457 ( 4.379 1.776 0.335) 4.738 3.844 ( -0.051 -2.082 1.277) 2.443 3.969 ( -0.869 5.602 3.343) 6.582 4.199 ( 4.258 -5.916 -2.131) 7.594 4.603 ( 2.981 2.150 1.498) 3.969 4.832 ( -2.420 0.807 -1.268) 2.849 4.863 ( -0.883 10.136 -2.348) 10.441 5.062 ( 0.414 3.319 1.100) 3.521 5.379 ( -10.005 -8.738 -4.814) 14.129======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 3.381 1.289 -0.026) 3.619 2.601 ( 9.607 5.706 -3.254) 11.638 2.787 ( 5.073 -4.271 5.269) 8.470 3.591 ( 10.761 0.372 0.022) 10.767 3.791 ( -2.213 -2.803 0.816) 3.663 4.075 ( 0.874 9.983 3.609) 10.651 4.193 ( 2.954 -5.611 -3.220) 7.112 4.680 ( 3.067 -0.546 -2.826) 4.206 4.742 ( -5.356 1.396 2.099) 5.919 4.911 ( -4.395 5.490 -2.947) 7.625 5.089 ( -3.456 1.853 -1.679) 4.266 5.151 ( -2.433 -5.740 1.818) 6.494======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 1.284 -0.118 -0.003) 1.289 2.752 ( 3.343 4.441 -2.045) 5.923 2.787 ( -0.543 -6.974 1.233) 7.103 3.717 ( -1.509 0.407 -1.177) 1.956 3.884 ( 17.174 0.693 2.912) 17.433 4.125 ( -0.244 -4.153 -0.622) 4.206 4.242 ( 2.000 8.343 2.431) 8.917 4.573 ( -8.423 -1.752 -2.804) 9.049 4.763 ( 0.802 -1.288 0.636) 1.646 4.824 ( -4.640 1.801 0.318) 4.988 5.061 ( 0.601 2.460 -2.225) 3.370 5.111 ( -1.712 -3.670 1.402) 4.286======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -0.669 -0.941 -0.047) 1.155 2.653 ( -4.877 -8.562 -0.793) 9.885 2.814 ( -0.500 4.151 0.102) 4.182 3.711 ( 0.118 1.933 0.555) 2.015 4.029 ( -2.675 -7.426 0.885) 7.942 4.187 ( 6.682 7.061 0.403) 9.730 4.386 ( -1.595 -3.698 1.659) 4.356 4.403 ( 3.687 3.189 -0.476) 4.897 4.691 ( -2.892 -2.842 -2.723) 4.884 4.845 ( 1.312 1.603 0.962) 2.284 5.008 ( -3.959 -6.218 -0.125) 7.373 5.119 ( 1.787 5.251 -0.335) 5.557======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -1.666 -0.378 -0.060) 1.710 2.453 ( -7.946 -7.538 -0.782) 10.980 2.840 ( -1.434 4.394 2.687) 5.346 3.762 ( 2.493 2.278 1.677) 3.770 3.861 ( -7.330 -7.853 -0.241) 10.745 4.252 ( -2.410 -4.745 6.311) 8.256 4.263 ( -6.836 9.258 -2.676) 11.815 4.601 ( 0.636 -1.598 -8.058) 8.240 4.628 ( 12.816 -8.436 0.751) 15.361 4.839 ( -6.024 -0.973 0.124) 6.104 4.907 ( 1.387 -1.797 -0.353) 2.298 5.228 ( 3.185 7.419 0.373) 8.082======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( -2.940 1.147 -1.395) 3.451 2.225 ( -10.127 -4.654 -0.910) 11.182 2.876 ( -1.779 5.262 4.078) 6.891 3.613 ( -9.870 -8.255 -0.814) 12.893 3.859 ( 4.205 2.745 1.337) 5.196 4.203 ( -2.116 0.651 0.429) 2.255 4.226 ( -1.792 -0.968 6.715) 7.017 4.527 ( -3.340 -1.037 -2.856) 4.515 4.668 ( -1.294 -9.447 3.435) 10.135 4.787 ( 4.995 -1.270 -8.166) 9.657 4.931 ( 0.696 1.459 -1.490) 2.198 5.368 ( 4.224 6.413 -2.294) 8.015======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 0.000 0.135 -3.859) 3.862 1.972 ( 0.000 4.090 -1.583) 4.386 2.644 ( -0.000 -3.515 2.490) 4.307 3.400 ( 0.000 3.666 2.261) 4.308 3.827 ( -0.000 -0.124 1.750) 1.755 3.994 ( 0.000 1.784 -0.139) 1.790 4.099 ( -0.000 -6.697 3.648) 7.626 4.544 ( 0.000 0.578 -1.028) 1.179 4.816 ( 0.000 15.590 6.237) 16.791 4.930 ( 0.000 1.278 -6.981) 7.097 5.061 ( 0.000 3.613 0.375) 3.632 5.582 ( -0.000 -10.441 -6.992) 12.566======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 2.830 1.016 -0.640) 3.074 2.110 ( 11.560 2.676 -0.972) 11.905 2.638 ( 2.245 -3.084 3.651) 5.280 3.439 ( 1.016 1.354 0.548) 1.780 3.839 ( -0.411 0.330 0.674) 0.856 4.019 ( 1.234 2.903 2.295) 3.901 4.073 ( 2.590 -5.792 0.910) 6.409 4.566 ( 2.074 0.469 -0.598) 2.209 4.876 ( -1.859 -0.182 -2.657) 3.248 4.979 ( -0.709 9.895 -3.781) 10.616 5.111 ( -0.071 4.668 5.574) 7.271 5.408 ( -5.766 -8.170 -5.718) 11.519======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 3.910 0.651 0.597) 4.008 2.383 ( 15.879 1.304 -2.175) 16.080 2.683 ( 3.936 -2.453 4.357) 6.364 3.481 ( 3.742 -0.020 0.522) 3.779 3.813 ( -2.022 -0.188 0.034) 2.031 4.055 ( 2.771 -6.360 -1.828) 7.174 4.136 ( 4.404 5.885 5.156) 8.978 4.607 ( 2.685 -0.911 -2.265) 3.629 4.831 ( -2.355 1.124 -0.683) 2.697 5.011 ( -1.125 4.400 -5.167) 6.879 5.119 ( -2.285 -9.285 2.479) 9.879 5.234 ( -8.518 7.030 -0.104) 11.044======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 2.853 -0.977 0.299) 3.030 2.613 ( 10.764 -4.002 -3.433) 11.986 2.725 ( 2.319 -1.891 0.808) 3.099 3.624 ( 11.377 1.878 2.820) 11.871 3.781 ( -1.886 1.331 0.226) 2.319 4.022 ( 2.318 -8.139 -0.875) 8.508 4.304 ( 4.106 6.819 6.521) 10.290 4.600 ( -0.042 -2.762 -5.996) 6.601 4.812 ( -3.644 1.827 4.375) 5.980 4.942 ( -5.256 -5.559 -0.088) 7.651 5.026 ( 1.821 2.220 -5.708) 6.389 5.172 ( -7.582 3.255 1.898) 8.467======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 1.310 -2.258 -0.064) 2.612 2.594 ( 0.040 -11.569 -0.832) 11.599 2.797 ( 4.502 2.181 -3.940) 6.368 3.751 ( -1.360 3.551 -1.609) 4.129 3.939 ( 14.592 1.341 5.917) 15.803 3.963 ( 2.978 -9.624 0.266) 10.078 4.419 ( -1.232 1.784 4.095) 4.633 4.521 ( -3.561 0.965 -2.642) 4.537 4.737 ( -4.071 -1.563 1.448) 4.595 4.872 ( -2.670 1.729 1.142) 3.380 5.034 ( -7.103 -3.427 -1.051) 7.957 5.101 ( 4.362 3.729 -2.198) 6.145======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 0.566 -1.934 0.215) 2.027 2.450 ( -2.636 -10.794 -0.221) 11.114 2.868 ( 2.596 2.185 -2.523) 4.228 3.773 ( 0.185 3.886 -0.287) 3.901 3.850 ( -2.244 -11.066 1.863) 11.444 4.241 ( 12.127 -1.571 1.334) 12.301 4.310 ( -3.283 -2.690 -3.931) 5.785 4.514 ( -4.460 3.049 7.468) 9.218 4.645 ( -7.546 1.543 -2.298) 8.038 4.846 ( 0.666 -5.177 -0.957) 5.307 4.904 ( -2.208 -0.240 0.024) 2.221 5.230 ( 4.496 5.978 -0.082) 7.480======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( -0.160 -0.277 -0.000) 0.320 2.289 ( -4.577 -7.928 -0.000) 9.155 2.931 ( 2.094 3.626 -0.000) 4.187 3.663 ( -6.333 -10.969 -0.000) 12.666 3.836 ( 2.308 3.998 -0.000) 4.617 4.173 ( -2.200 -3.811 -0.000) 4.401 4.388 ( -4.166 -7.215 0.000) 8.331 4.453 ( 1.827 3.165 0.000) 3.654 4.554 ( -0.927 -1.606 -0.000) 1.854 4.799 ( -1.118 -1.936 -0.000) 2.235 4.929 ( 1.478 2.561 0.000) 2.957 5.363 ( 3.347 5.797 -0.000) 6.694======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 0.000 2.206 1.964) 2.954 2.021 ( 0.000 0.962 0.827) 1.269 2.608 ( -0.000 -1.107 3.644) 3.809 3.429 ( -0.000 -1.357 -1.160) 1.786 3.861 ( -0.000 0.662 1.388) 1.538 4.013 ( -0.000 -2.571 1.760) 3.116 4.014 ( -0.000 0.075 0.151) 0.169 4.551 ( 0.000 0.535 -0.252) 0.592 4.863 ( 0.000 -2.083 -6.591) 6.912 5.035 ( 0.000 3.139 -3.672) 4.830 5.153 ( -0.000 -3.976 6.488) 7.610 5.424 ( 0.000 5.781 -2.358) 6.243======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( 1.418 1.843 2.864) 3.689 2.133 ( 11.148 -0.672 1.034) 11.216 2.637 ( 1.720 0.640 3.714) 4.143 3.416 ( 2.181 -3.004 -1.525) 4.013 3.850 ( -1.061 -0.501 1.534) 1.932 3.970 ( -0.792 -3.285 -1.138) 3.566 4.100 ( 5.818 3.073 2.346) 6.985 4.563 ( 0.887 -0.339 -0.783) 1.231 4.806 ( 1.657 -5.588 -7.188) 9.255 5.024 ( -1.488 -1.881 -1.544) 2.852 5.090 ( -1.804 -5.208 3.310) 6.429 5.476 ( -5.942 12.408 1.065) 13.799======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 1.843 -0.776 1.810) 2.698 2.332 ( 12.775 -5.717 -1.558) 14.082 2.684 ( 1.535 0.442 1.369) 2.104 3.475 ( 7.930 -0.851 2.231) 8.282 3.838 ( -1.518 1.813 0.172) 2.371 3.915 ( 0.136 -5.623 -0.592) 5.656 4.267 ( 7.318 3.683 3.113) 8.764 4.549 ( 0.285 -3.068 -2.604) 4.034 4.788 ( 6.058 -8.211 -4.287) 11.068 4.929 ( -5.322 -2.484 2.701) 6.464 5.049 ( -1.059 0.467 -0.517) 1.268 5.442 ( -11.635 10.147 1.064) 15.475======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( 1.684 -3.115 0.742) 3.618 2.399 ( 6.485 -13.203 -2.471) 14.916 2.726 ( 3.206 1.234 -2.920) 4.509 3.690 ( 13.203 0.147 4.294) 13.885 3.828 ( -2.288 3.185 -1.867) 4.343 3.865 ( 1.379 -6.013 3.792) 7.241 4.405 ( 3.931 -0.276 -3.497) 5.269 4.530 ( 1.336 -0.847 2.951) 3.348 4.737 ( -0.342 -9.179 -2.031) 9.407 4.891 ( 0.327 0.800 2.979) 3.102 5.064 ( 2.054 1.655 -0.123) 2.641 5.283 ( -15.993 7.351 -0.088) 17.602======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 2.055 -3.618 0.797) 4.237 2.323 ( 2.560 -13.978 -0.701) 14.228 2.796 ( 4.744 0.630 -4.601) 6.638 3.746 ( 1.074 -11.837 1.742) 12.013 3.826 ( -1.376 4.740 -2.109) 5.368 4.017 ( 12.162 1.586 6.153) 13.721 4.359 ( -3.890 -1.530 -9.742) 10.601 4.549 ( -0.396 -3.300 4.536) 5.623 4.695 ( 4.274 -3.705 1.344) 5.813 4.903 ( -1.158 0.267 1.992) 2.320 4.990 ( -14.103 -0.545 1.689) 14.214 5.218 ( 2.580 8.648 0.602) 9.045======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( -0.000 2.657 4.677) 5.379 2.015 ( -0.000 -2.935 2.324) 3.744 2.656 ( -0.000 2.669 4.018) 4.824 3.340 ( -0.000 -5.211 -3.081) 6.054 3.839 ( -0.000 -2.530 2.654) 3.666 4.001 ( -0.000 -1.468 0.367) 1.513 4.053 ( 0.000 5.171 -0.742) 5.224 4.557 ( -0.000 -0.100 0.166) 0.194 4.646 ( -0.000 -14.289 -8.791) 16.777 5.022 ( -0.000 -1.505 0.734) 1.675 5.081 ( -0.000 -2.028 2.299) 3.066 5.667 ( 0.000 12.856 1.109) 12.904======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -1.424 -0.835 3.512) 3.881 2.073 ( 8.753 -6.597 0.680) 10.982 2.693 ( -0.370 1.614 2.878) 3.320 3.329 ( 5.985 -3.943 -0.667) 7.198 3.834 ( 0.312 -1.411 2.645) 3.014 3.940 ( -3.539 0.325 -1.002) 3.692 4.182 ( 6.266 4.270 0.276) 7.588 4.469 ( 1.625 -12.777 -4.490) 13.640 4.587 ( 3.839 -4.167 -2.156) 6.062 4.992 ( -2.284 -1.007 1.302) 2.815 5.064 ( -0.944 -0.788 1.566) 1.991 5.729 ( -7.288 11.176 0.531) 13.353======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -0.142 -4.163 1.979) 4.612 2.120 ( 7.882 -13.285 -2.448) 15.641 2.694 ( 0.196 -0.722 -0.119) 0.758 3.473 ( 11.681 -2.061 3.118) 12.264 3.821 ( -0.053 -3.316 4.517) 5.603 3.900 ( -2.403 3.316 -2.265) 4.680 4.286 ( 4.562 -3.912 -4.541) 7.533 4.456 ( 7.122 -3.070 2.235) 8.071 4.600 ( 2.988 -4.122 -3.499) 6.177 4.940 ( -2.999 -0.473 2.160) 3.726 5.055 ( 0.211 -0.090 1.678) 1.693 5.644 ( -13.907 9.115 0.465) 16.634======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 1.824 -5.919 1.490) 6.370 2.083 ( 6.361 -15.567 -1.885) 16.921 2.707 ( 3.227 -1.870 -1.723) 4.108 3.595 ( 4.503 -8.681 1.457) 9.888 3.874 ( 6.294 -0.739 5.674) 8.506 3.898 ( -0.114 5.049 -2.092) 5.467 4.297 ( 4.250 -4.281 -5.440) 8.123 4.516 ( -0.022 -3.534 -5.104) 6.208 4.609 ( 2.744 -0.504 2.040) 3.457 4.909 ( -0.528 -0.987 2.868) 3.079 5.081 ( 1.002 -0.563 2.140) 2.429 5.470 ( -14.753 9.623 3.344) 17.929======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -0.000 -4.014 2.497) 4.728 1.912 ( -0.000 -8.918 1.209) 9.000 2.728 ( -0.000 0.095 4.102) 4.103 3.213 ( -0.000 -4.729 -1.643) 5.006 3.844 ( -0.000 1.165 1.976) 2.293 3.967 ( -0.000 -2.078 0.959) 2.289 4.184 ( 0.000 6.994 -0.692) 7.028 4.253 ( -0.000 -15.866 -4.727) 16.555 4.541 ( -0.000 -1.561 -0.404) 1.612 4.995 ( -0.000 -2.162 0.362) 2.192 5.077 ( -0.000 -0.066 2.099) 2.100 5.907 ( 0.000 10.390 -0.563) 10.405======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -1.502 -7.642 1.393) 7.912 1.858 ( 4.920 -13.926 -1.768) 14.875 2.692 ( -2.009 -4.820 2.264) 5.691 3.264 ( 9.462 -2.604 1.111) 9.877 3.818 ( -2.420 -4.837 2.059) 5.787 3.948 ( -0.610 1.558 -1.013) 1.955 4.131 ( 4.271 -9.501 -1.183) 10.484 4.337 ( 5.540 7.768 0.133) 9.542 4.533 ( 1.504 -1.999 -0.947) 2.675 4.965 ( -0.810 -2.498 0.855) 2.762 5.073 ( -1.255 0.403 1.668) 2.126 5.932 ( -7.896 8.901 -1.105) 11.950======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 0.709 -10.802 0.226) 10.828 1.796 ( 6.658 -15.625 -1.978) 17.099 2.622 ( 1.508 -7.591 1.815) 7.949 3.421 ( 8.676 -3.937 0.704) 9.553 3.741 ( 3.316 -8.635 1.413) 9.356 3.954 ( -1.262 3.466 -2.522) 4.469 4.161 ( 5.140 -3.174 2.738) 6.633 4.468 ( 1.712 2.712 -7.923) 8.548 4.576 ( 3.603 2.595 3.203) 5.475 4.925 ( -1.428 -1.883 1.641) 2.877 5.067 ( 0.075 -0.143 2.089) 2.095 5.823 ( -13.038 8.056 1.113) 15.367======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( -0.000 -12.823 -1.152) 12.874 1.660 ( -0.000 -15.393 -1.883) 15.508 2.636 ( -0.000 -12.955 1.436) 13.035 3.150 ( -0.000 -1.438 1.687) 2.217 3.787 ( -0.000 -8.463 -2.485) 8.821 3.938 ( -0.000 -1.596 2.001) 2.560 4.033 ( -0.000 -0.689 3.152) 3.226 4.410 ( 0.000 12.214 2.223) 12.415 4.488 ( -0.000 -2.897 -1.482) 3.254 4.941 ( -0.000 -3.479 1.495) 3.786 5.101 ( 0.000 1.790 -0.235) 1.805 6.082 ( 0.000 8.052 -2.856) 8.543======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 0.138 -17.932 -3.809) 18.332 1.540 ( 4.218 -14.861 -1.036) 15.483 2.476 ( 1.750 -18.362 1.068) 18.477 3.231 ( 8.246 -1.326 1.496) 8.485 3.650 ( -3.166 -8.248 -1.001) 8.891 3.983 ( 2.344 2.198 -1.687) 3.629 4.066 ( 2.964 -1.463 6.593) 7.375 4.450 ( 0.235 -1.088 -3.518) 3.690 4.581 ( 3.302 9.728 3.888) 10.985 4.915 ( 0.219 -3.011 2.298) 3.794 5.103 ( -2.037 2.843 -1.420) 3.775 6.080 ( -7.320 7.037 -2.444) 10.444======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( -0.000 -19.244 -4.277) 19.713 1.311 ( -0.000 -18.312 -3.505) 18.644 2.206 ( -0.000 -27.902 -1.353) 27.935 3.167 ( -0.000 0.863 3.688) 3.787 3.626 ( -0.000 -5.159 -2.716) 5.830 3.933 ( -0.000 -0.498 2.896) 2.939 4.079 ( -0.000 0.065 5.922) 5.923 4.408 ( -0.000 -3.422 -2.335) 4.142 4.671 ( 0.000 8.932 4.957) 10.216 4.893 ( -0.000 -2.235 3.975) 4.560 5.164 ( 0.000 6.779 -4.381) 8.071 6.200 ( 0.000 6.233 -4.844) 7.894======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( -0.000 0.000 18.889) 18.889 0.411 ( -0.000 0.000 18.889) 18.889 0.655 ( -0.000 0.000 30.300) 30.300 3.227 ( -0.000 -0.000 -2.728) 2.728 3.227 ( 0.000 -0.000 -2.728) 2.728 3.900 ( 0.000 -0.000 -5.009) 5.009 3.900 ( 0.000 -0.000 -5.009) 5.009 4.328 ( -0.000 0.000 5.162) 5.162 4.328 ( -0.000 0.000 5.162) 5.162 4.819 ( 0.000 -0.000 -13.141) 13.141 5.720 ( -0.000 0.000 8.784) 8.784 6.593 ( 0.000 -0.000 -0.866) 0.866======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( 9.219 5.323 12.689) 16.563 0.595 ( 7.914 4.569 15.974) 18.404 1.083 ( 22.103 12.761 15.173) 29.691 3.252 ( 1.261 0.728 -1.748) 2.275 3.271 ( 3.332 1.924 -6.221) 7.315 3.897 ( 0.716 0.413 -4.728) 4.800 4.114 ( 12.227 7.059 -0.985) 14.153 4.347 ( 0.308 0.178 4.881) 4.894 4.523 ( 9.915 5.724 -8.452) 14.230 4.784 ( 0.681 0.393 -12.852) 12.876 5.672 ( -6.705 -3.871 8.823) 11.738 6.391 ( -12.244 -7.069 2.631) 14.381======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 13.444 7.762 6.036) 16.656 0.870 ( 11.366 6.562 6.969) 14.860 1.635 ( 21.222 12.252 2.116) 24.596 3.274 ( 1.023 0.591 -0.470) 1.271 3.391 ( 8.532 4.926 -0.110) 9.853 3.902 ( 1.080 0.624 -4.206) 4.387 4.374 ( 0.643 0.371 3.767) 3.840 4.379 ( 8.651 4.995 8.122) 12.875 4.668 ( 5.710 3.296 -11.425) 13.191 4.764 ( 1.574 0.909 -8.547) 8.738 5.477 ( -11.941 -6.894 8.207) 16.046 6.090 ( -13.360 -7.714 -4.165) 15.980======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 11.726 6.770 -0.489) 13.549 1.213 ( 14.322 8.269 1.894) 16.646 2.082 ( 17.435 10.066 -4.552) 20.641 3.298 ( 0.929 0.536 0.969) 1.446 3.668 ( 13.377 7.723 6.957) 16.941 3.920 ( 1.523 0.879 -3.386) 3.815 4.403 ( 0.928 0.536 2.147) 2.399 4.529 ( 0.956 0.552 9.155) 9.222 4.702 ( 2.348 1.356 -10.356) 10.705 4.861 ( 5.935 3.426 0.648) 6.883 5.193 ( -13.505 -7.797 5.944) 16.689 5.732 ( -14.227 -8.214 -12.829) 20.843======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 10.543 6.087 -4.510) 12.982 1.540 ( 13.098 7.562 -0.678) 15.139 2.441 ( 14.674 8.472 -4.216) 17.460 3.325 ( 0.921 0.532 2.279) 2.515 3.949 ( 1.734 1.001 -2.259) 3.019 4.021 ( 13.135 7.583 9.054) 17.664 4.433 ( 1.275 0.736 0.600) 1.590 4.518 ( -2.957 -1.707 7.236) 8.002 4.747 ( 2.435 1.406 -8.095) 8.569 4.834 ( -11.102 -6.410 13.886) 18.898 4.996 ( -4.747 -2.741 -3.239) 6.367 5.403 ( -5.795 -3.345 -17.645) 18.871======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 8.309 4.797 -5.159) 10.894 1.812 ( 10.243 5.914 -2.002) 11.996 2.743 ( 11.683 6.745 -2.820) 13.782 3.353 ( 0.512 0.295 3.044) 3.101 3.982 ( 1.502 0.867 -1.076) 2.041 4.260 ( 1.495 0.863 5.892) 6.139 4.467 ( 1.579 0.911 -0.282) 1.845 4.482 ( -1.567 -0.905 6.055) 6.320 4.566 ( -9.696 -5.598 9.190) 14.485 4.731 ( -7.659 -4.422 -12.123) 15.006 4.876 ( 4.014 2.317 -0.433) 4.655 5.372 ( 3.086 1.782 -7.556) 8.354======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( 5.366 3.098 -4.100) 7.430 2.001 ( 6.303 3.639 -2.230) 7.613 2.944 ( 5.959 3.440 -5.532) 8.829 3.363 ( -0.648 -0.374 2.959) 3.052 4.008 ( 0.845 0.488 -0.223) 1.001 4.139 ( -7.068 -4.081 -3.401) 8.842 4.316 ( -11.052 -6.381 2.526) 13.010 4.496 ( 0.657 0.379 2.403) 2.520 4.503 ( 1.524 0.880 -0.270) 1.780 4.734 ( 5.017 2.897 3.080) 6.562 4.993 ( 4.348 2.510 4.442) 6.703 5.411 ( 2.017 1.165 -5.165) 5.666======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 2.552 1.473 -2.345) 3.766 2.089 ( 1.648 0.951 -1.550) 2.454 2.974 ( -0.548 -0.316 -10.151) 10.170 3.339 ( -2.159 -1.246 1.943) 3.161 4.018 ( -0.011 -0.006 0.075) 0.076 4.026 ( -1.057 -0.610 -5.295) 5.434 4.114 ( -6.012 -3.471 -0.101) 6.942 4.526 ( -0.215 -0.124 4.380) 4.387 4.533 ( 0.850 0.491 0.347) 1.041 4.857 ( 3.761 2.171 5.904) 7.329 5.070 ( 0.061 0.035 6.376) 6.376 5.461 ( 4.287 2.475 -2.982) 5.779======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( -0.122 -0.071 0.243) 0.281 2.063 ( -3.702 -2.137 -0.196) 4.279 2.893 ( -2.789 -1.611 -8.385) 8.982 3.280 ( -2.917 -1.684 0.145) 3.371 3.987 ( -0.835 -0.482 -6.490) 6.561 4.009 ( -0.735 -0.424 -0.138) 0.860 4.083 ( 3.328 1.921 -2.037) 4.349 4.453 ( -7.672 -4.429 1.838) 9.048 4.541 ( -0.381 -0.220 1.032) 1.122 4.948 ( 2.072 1.196 5.026) 5.566 5.067 ( -0.713 -0.412 4.052) 4.135 5.603 ( 7.304 4.217 3.941) 9.309======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -5.200 -3.002 2.564) 6.528 1.910 ( -9.447 -5.454 1.360) 10.992 2.799 ( -4.053 -2.340 -1.886) 5.046 3.215 ( -2.133 -1.231 -1.807) 3.054 3.952 ( -1.620 -0.935 -7.884) 8.103 3.985 ( -1.059 -0.611 -0.752) 1.435 4.184 ( -1.584 -0.915 -1.780) 2.553 4.240 ( -0.397 -0.229 -2.947) 2.983 4.520 ( -1.777 -1.026 1.457) 2.517 4.973 ( -0.745 -0.430 2.413) 2.562 5.081 ( 0.500 0.289 1.911) 1.997 5.812 ( 8.226 4.749 8.309) 12.620======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( -11.646 -6.724 3.208) 13.825 1.636 ( -14.199 -8.198 2.713) 16.619 2.632 ( -11.961 -6.906 2.049) 13.963 3.175 ( -0.525 -0.303 -3.132) 3.191 3.778 ( -9.141 -5.277 -0.666) 10.576 3.957 ( -0.902 -0.521 -1.702) 1.995 4.092 ( 0.383 0.221 -8.093) 8.105 4.443 ( 11.467 6.620 -4.102) 13.861 4.471 ( -2.786 -1.609 1.752) 3.663 4.947 ( -1.829 -1.056 0.457) 2.160 5.093 ( 0.503 0.291 1.233) 1.363 6.027 ( 7.352 4.244 7.778) 11.514======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 0.000 14.170 12.666) 19.006 0.711 ( 0.000 12.558 13.532) 18.462 1.105 ( 0.000 21.435 17.730) 27.817 3.164 ( 0.000 -1.930 -3.892) 4.344 3.344 ( 0.000 8.305 -5.832) 10.148 3.856 ( 0.000 -0.245 -4.653) 4.659 4.006 ( 0.000 6.053 -0.719) 6.095 4.377 ( -0.000 0.971 4.655) 4.755 4.507 ( 0.000 9.561 -5.072) 10.823 4.737 ( 0.000 0.792 -12.959) 12.983 5.705 ( -0.000 -7.533 8.798) 11.583 6.451 ( -0.000 -8.240 0.980) 8.298======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 2.607 12.827 11.629) 17.509 0.892 ( 2.926 16.557 7.655) 18.475 1.507 ( 12.213 20.561 5.411) 24.519 3.195 ( 6.181 -0.940 -2.374) 6.688 3.384 ( -0.953 7.440 -2.187) 7.813 3.884 ( 2.047 1.632 -4.628) 5.317 4.171 ( 11.270 -0.273 3.514) 11.808 4.421 ( 1.878 2.791 4.523) 5.637 4.598 ( 3.091 6.162 -8.435) 10.894 4.709 ( 1.010 -0.168 -9.733) 9.786 5.582 ( -6.411 -10.568 8.174) 14.819 6.258 ( -12.009 -5.929 -1.925) 13.531======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 4.589 11.873 6.297) 14.201 1.172 ( 7.005 16.049 2.813) 17.736 1.924 ( 13.152 16.323 -3.759) 21.296 3.291 ( 2.998 1.807 -1.209) 3.703 3.526 ( 10.122 5.712 4.549) 12.481 3.919 ( 0.696 3.612 -2.999) 4.746 4.309 ( 6.168 -5.827 4.102) 9.425 4.537 ( 3.821 2.395 6.422) 7.848 4.652 ( 1.333 2.582 -11.004) 11.381 4.758 ( 7.330 3.333 -4.043) 9.010 5.339 ( -10.691 -11.570 7.113) 17.285 5.922 ( -17.449 -4.924 -7.546) 19.638======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 6.365 9.916 -0.453) 11.792 1.474 ( 8.178 14.890 1.099) 17.024 2.286 ( 12.969 12.949 -4.711) 18.923 3.340 ( 0.622 3.021 0.093) 3.085 3.808 ( 12.280 1.022 2.393) 12.553 3.993 ( 3.502 7.197 3.480) 8.728 4.338 ( 3.822 -6.649 3.023) 8.244 4.582 ( -0.588 -0.124 2.482) 2.554 4.692 ( 3.123 3.859 -7.866) 9.302 4.927 ( 4.712 -0.092 6.340) 7.900 5.051 ( -10.093 -8.415 2.820) 13.440 5.517 ( -17.652 -3.674 -13.626) 22.599======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 6.804 7.678 -3.242) 10.759 1.756 ( 7.006 13.245 -0.198) 14.985 2.611 ( 11.592 10.082 -2.529) 15.570 3.381 ( -0.044 3.638 1.194) 3.829 3.934 ( 4.368 -0.421 -2.037) 4.838 4.181 ( 6.218 -1.732 5.985) 8.802 4.376 ( 5.563 -0.584 3.847) 6.789 4.581 ( -0.593 1.322 1.180) 1.868 4.695 ( -7.466 -3.279 -0.637) 8.179 4.824 ( -1.222 -0.485 4.920) 5.092 4.893 ( -12.823 -2.327 -6.343) 14.494 5.298 ( 1.690 0.416 -8.206) 8.389======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 5.529 5.269 -3.561) 8.426 1.978 ( 4.175 11.028 -0.967) 11.831 2.857 ( 7.137 5.854 -2.819) 9.651 3.415 ( -1.311 4.245 1.281) 4.624 3.969 ( 0.900 -2.397 -0.213) 2.570 4.180 ( 0.226 -5.105 -2.090) 5.521 4.425 ( -6.915 -5.051 -2.530) 8.929 4.508 ( -1.591 -0.160 5.156) 5.398 4.595 ( -10.371 4.094 -2.294) 11.384 4.684 ( 4.993 2.893 3.158) 6.578 4.934 ( 5.716 1.698 3.546) 6.937 5.346 ( 3.627 -0.766 -3.881) 5.366======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 3.374 2.763 -3.042) 5.317 2.115 ( 0.368 8.426 -0.975) 8.490 2.935 ( 0.243 0.029 -6.744) 6.749 3.424 ( -3.400 4.903 0.115) 5.968 3.917 ( 0.503 -5.890 -1.704) 6.152 4.149 ( -3.248 6.000 -4.974) 8.443 4.208 ( -8.504 -3.990 -1.004) 9.447 4.502 ( 1.446 -0.657 1.888) 2.467 4.583 ( -1.295 3.755 5.364) 6.675 4.821 ( 4.887 2.393 4.722) 7.204 5.051 ( 3.875 -1.417 7.147) 8.253 5.378 ( 3.862 -0.894 -4.796) 6.222======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 1.639 0.376 -1.839) 2.492 2.151 ( -4.317 5.423 -0.076) 6.932 2.862 ( -1.930 -3.536 -8.164) 9.104 3.396 ( -5.699 5.943 -1.123) 8.310 3.899 ( 3.442 -4.025 -1.548) 5.517 4.035 ( -5.177 -1.663 -4.131) 6.829 4.158 ( -3.393 6.988 -1.122) 7.849 4.526 ( -0.200 -0.170 0.927) 0.963 4.591 ( -4.634 2.196 4.923) 7.109 4.931 ( 3.420 1.172 4.955) 6.133 5.068 ( 0.042 -3.874 4.705) 6.094 5.478 ( 9.253 -0.166 -0.056) 9.255======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( -0.946 -2.327 -0.123) 2.515 2.063 ( -9.923 1.115 1.382) 10.081 2.778 ( -0.317 -4.081 -4.602) 6.159 3.341 ( -7.379 6.977 -1.518) 10.268 3.919 ( 2.309 -1.798 -2.631) 3.935 3.957 ( -0.485 -1.629 -5.428) 5.688 4.180 ( -0.557 4.726 0.419) 4.777 4.406 ( -12.667 -0.131 0.957) 12.704 4.552 ( -1.712 0.493 1.298) 2.204 4.981 ( 0.386 -0.614 2.145) 2.265 5.067 ( 1.541 -1.040 1.817) 2.599 5.676 ( 11.958 -0.689 5.237) 13.072======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -6.966 -5.302 1.132) 8.827 1.836 ( -14.562 -3.411 2.190) 15.116 2.709 ( -3.379 -4.680 -0.878) 5.839 3.277 ( -7.108 7.105 -1.347) 10.140 3.851 ( -6.636 -5.264 -4.112) 9.416 3.945 ( 1.930 -0.846 -0.441) 2.153 4.141 ( -6.539 0.898 -3.222) 7.345 4.338 ( 4.298 6.647 0.107) 7.916 4.527 ( -2.313 1.233 0.237) 2.632 4.966 ( -1.212 -1.386 0.625) 1.945 5.082 ( 0.598 -0.531 -0.209) 0.827 5.897 ( 11.626 -1.396 5.436) 12.910======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 0.000 16.147 7.375) 17.751 1.065 ( 0.000 14.653 7.481) 16.453 1.670 ( 0.000 25.397 3.864) 25.689 3.109 ( 0.000 -0.869 -2.752) 2.886 3.484 ( 0.000 8.693 -2.573) 9.066 3.832 ( 0.000 0.765 -3.536) 3.618 4.120 ( -0.000 3.185 5.487) 6.344 4.429 ( -0.000 1.381 3.217) 3.501 4.614 ( 0.000 6.615 -8.063) 10.429 4.662 ( 0.000 -1.549 -6.302) 6.489 5.540 ( -0.000 -13.667 7.043) 15.375 6.299 ( -0.000 -6.147 -3.840) 7.248======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 0.303 14.267 4.792) 15.053 1.266 ( 3.292 15.717 4.548) 16.689 1.958 ( 3.918 22.293 -3.457) 22.897 3.179 ( 8.015 0.587 -1.527) 8.180 3.540 ( -1.289 8.134 2.103) 8.500 3.902 ( 4.989 2.904 -2.835) 6.431 4.184 ( 2.918 -2.033 6.617) 7.512 4.497 ( 4.320 1.567 3.700) 5.900 4.617 ( 0.799 -0.686 -8.261) 8.328 4.691 ( 2.941 5.298 -3.540) 7.017 5.368 ( -5.152 -14.401 5.287) 16.183 6.117 ( -11.322 -5.061 -6.701) 14.096======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 0.995 11.831 0.508) 11.884 1.528 ( 5.801 16.473 3.494) 17.810 2.241 ( 7.217 17.580 -5.357) 19.745 3.321 ( 5.756 2.298 -2.687) 6.755 3.658 ( 5.782 4.064 3.198) 7.757 4.021 ( 3.421 6.720 3.099) 8.153 4.215 ( 3.428 -5.922 4.523) 8.202 4.559 ( 1.528 -2.238 -0.497) 2.756 4.652 ( 4.161 3.171 -3.891) 6.520 4.821 ( 7.102 2.861 0.657) 7.685 5.125 ( -7.991 -11.971 3.252) 14.756 5.778 ( -18.092 -3.473 -9.775) 20.855======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 2.966 9.713 -1.420) 10.255 1.810 ( 5.438 16.508 2.568) 17.569 2.533 ( 9.319 13.203 -2.647) 16.376 3.414 ( 2.145 4.852 -1.839) 5.615 3.795 ( 7.646 -1.348 -1.802) 7.970 4.118 ( 0.256 -3.479 5.926) 6.876 4.295 ( 7.310 4.167 5.311) 9.950 4.555 ( 1.704 -2.489 -2.472) 3.900 4.737 ( 1.315 4.813 -6.540) 8.226 4.861 ( -5.241 -10.586 11.646) 16.588 4.984 ( 2.113 1.033 -2.864) 3.706 5.392 ( -16.394 -0.920 -10.145) 19.301======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 3.540 7.561 -1.561) 8.494 2.057 ( 2.956 15.287 1.635) 15.656 2.794 ( 7.523 8.172 -0.653) 11.126 3.489 ( -0.124 7.146 -1.332) 7.270 3.905 ( 6.272 -1.287 -1.616) 6.604 4.059 ( 1.256 -8.384 1.322) 8.580 4.439 ( -0.140 -0.532 -2.931) 2.982 4.569 ( 0.947 0.110 3.604) 3.728 4.655 ( -2.676 -0.660 1.457) 3.118 4.853 ( -8.174 1.682 -1.559) 8.490 4.876 ( -1.051 2.186 0.177) 2.432 5.260 ( 2.432 -1.135 -1.955) 3.320======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( 2.227 5.032 -1.538) 5.714 2.229 ( -0.397 12.990 1.175) 13.049 2.923 ( 1.047 1.955 -2.145) 3.085 3.537 ( -2.511 8.043 -2.878) 8.903 3.873 ( -2.344 -5.585 -0.087) 6.058 4.141 ( 8.979 3.070 -4.460) 10.485 4.301 ( -7.073 -4.074 -4.245) 9.200 4.518 ( -4.030 -0.952 3.055) 5.145 4.692 ( -3.315 4.019 3.663) 6.369 4.779 ( 3.019 3.438 2.209) 5.081 4.974 ( 4.958 -1.096 5.094) 7.192 5.288 ( 2.750 -2.569 -2.421) 4.475======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( 0.480 2.367 -1.523) 2.855 2.312 ( -4.230 10.192 1.561) 11.145 2.864 ( -4.403 -2.815 -4.757) 7.067 3.550 ( -3.918 8.572 -4.324) 10.370 3.815 ( 1.173 -3.027 -0.540) 3.290 4.116 ( -7.284 -1.975 -4.337) 8.705 4.281 ( -1.083 7.746 -3.019) 8.384 4.503 ( 2.430 -0.650 2.481) 3.533 4.716 ( -1.999 5.149 6.615) 8.617 4.883 ( 4.522 0.819 3.189) 5.594 5.018 ( 1.476 -6.146 5.682) 8.499 5.312 ( 5.784 -2.960 -3.081) 7.191======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( -0.740 -0.158 -1.115) 1.347 2.283 ( -9.861 5.791 2.587) 11.725 2.744 ( -2.325 -3.419 -3.790) 5.609 3.545 ( -6.034 10.004 -4.011) 12.353 3.832 ( 3.350 -2.127 0.100) 3.970 3.975 ( -4.739 -0.851 -5.781) 7.524 4.280 ( -4.181 4.017 2.005) 6.135 4.543 ( -0.306 2.388 -2.290) 3.323 4.682 ( -10.328 2.564 5.477) 11.969 4.954 ( 1.903 -1.808 0.464) 2.665 5.015 ( 3.926 -1.750 3.165) 5.338 5.432 ( 12.554 -5.370 1.650) 13.753======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -3.480 -2.592 -0.771) 4.407 2.093 ( -15.284 -0.164 2.673) 15.517 2.698 ( -0.386 -1.550 -0.781) 1.778 3.501 ( -8.619 8.924 -2.192) 12.599 3.880 ( 0.635 -1.651 -2.412) 2.991 3.887 ( -0.086 -0.237 -3.967) 3.975 4.243 ( -4.553 0.853 3.637) 5.890 4.467 ( -9.498 4.106 0.539) 10.362 4.577 ( -2.277 1.313 0.429) 2.663 4.954 ( 0.555 -2.025 -0.693) 2.211 5.067 ( 0.933 0.759 -0.653) 1.369 5.632 ( 15.138 -6.371 2.601) 16.629======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 0.000 13.245 1.519) 13.332 1.395 ( 0.000 14.170 1.906) 14.297 2.153 ( 0.000 21.947 -5.687) 22.672 3.105 ( 0.000 1.571 0.398) 1.620 3.684 ( 0.000 11.185 3.921) 11.852 3.841 ( 0.000 2.131 -2.201) 3.063 4.186 ( -0.000 -2.357 9.494) 9.783 4.475 ( 0.000 1.515 1.393) 2.058 4.559 ( -0.000 -4.506 -3.248) 5.555 4.721 ( 0.000 7.255 -4.675) 8.631 5.276 ( -0.000 -14.249 2.290) 14.432 6.138 ( 0.000 -5.735 -8.138) 9.956======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -0.638 10.191 -2.390) 10.487 1.597 ( 5.468 14.319 1.481) 15.399 2.341 ( 1.191 18.122 -6.153) 19.175 3.201 ( 6.897 2.302 -0.012) 7.271 3.728 ( -4.351 7.231 3.159) 9.011 3.997 ( 8.475 7.738 2.795) 11.812 4.165 ( -1.161 -5.129 8.349) 9.867 4.497 ( 1.045 -4.517 -0.887) 4.720 4.561 ( 6.030 -0.707 2.132) 6.435 4.792 ( 1.521 6.325 -3.783) 7.525 5.114 ( -3.657 -10.603 -0.570) 11.230 5.957 ( -10.071 -5.134 -9.723) 14.910======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 1.244 8.287 -2.777) 8.828 1.874 ( 7.626 15.053 1.954) 16.987 2.539 ( 4.712 13.579 -2.865) 14.656 3.353 ( 7.503 2.931 -2.321) 8.383 3.736 ( -1.301 2.695 1.298) 3.262 4.109 ( -1.469 -6.341 5.987) 8.843 4.250 ( 7.541 9.872 6.180) 13.875 4.468 ( 2.332 -5.644 -1.888) 6.392 4.690 ( 6.957 0.238 2.530) 7.406 4.850 ( -0.328 -0.688 0.436) 0.879 4.966 ( -2.218 -1.773 -3.627) 4.606 5.641 ( -15.832 -3.418 -9.920) 18.993======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 2.804 7.189 -1.313) 7.827 2.158 ( 5.465 15.238 2.197) 16.336 2.751 ( 6.644 8.017 0.647) 10.433 3.517 ( 6.721 6.781 -3.073) 10.030 3.758 ( 2.929 -0.548 -0.162) 2.984 4.019 ( -2.811 -7.328 3.873) 8.752 4.413 ( 0.589 -2.233 -4.404) 4.973 4.510 ( 7.004 4.076 5.982) 10.073 4.744 ( -6.306 -1.386 -0.475) 6.475 4.809 ( 4.868 0.221 2.488) 5.472 4.986 ( 0.358 1.646 -3.439) 3.829 5.321 ( -12.036 -1.290 -5.231) 13.187======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 2.127 5.533 -0.417) 5.943 2.374 ( 1.240 13.819 2.230) 14.052 2.905 ( 3.449 2.180 1.201) 4.253 3.664 ( -1.542 11.598 -3.419) 12.189 3.852 ( 3.701 -3.771 0.298) 5.292 3.927 ( 7.311 -3.700 -0.636) 8.219 4.333 ( -3.032 -3.892 -5.664) 7.511 4.618 ( -5.599 0.193 3.154) 6.429 4.692 ( 4.612 2.478 2.656) 5.870 4.862 ( -1.925 -0.620 -0.571) 2.101 4.935 ( -1.949 3.555 -0.876) 4.148 5.223 ( 0.804 -2.010 0.680) 2.269======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 0.054 3.320 -0.316) 3.335 2.498 ( -2.685 11.379 2.709) 12.001 2.902 ( -3.385 -2.727 -1.113) 4.487 3.679 ( -3.893 6.467 -4.917) 9.009 3.803 ( -1.353 1.295 -0.363) 1.908 4.200 ( -1.322 1.165 -5.691) 5.957 4.215 ( 11.322 1.991 -1.806) 11.636 4.519 ( -5.013 -1.787 4.606) 7.038 4.778 ( 1.364 0.928 5.075) 5.336 4.838 ( 1.780 1.415 -1.721) 2.852 4.968 ( 0.480 -1.297 3.949) 4.185 5.215 ( 1.023 -3.347 -1.227) 3.709======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -1.709 1.222 -0.357) 2.131 2.526 ( -7.591 8.058 3.843) 11.718 2.765 ( -5.179 -4.123 -2.191) 6.973 3.687 ( -0.325 5.654 -2.869) 6.349 3.809 ( -2.051 5.042 -2.330) 5.921 4.055 ( -6.965 -1.450 -4.122) 8.222 4.394 ( -3.334 2.780 1.341) 4.544 4.518 ( 5.677 2.203 -1.435) 6.257 4.874 ( 5.207 2.839 2.645) 6.494 4.889 ( 0.752 -1.721 3.403) 3.887 4.910 ( -1.833 -3.072 2.507) 4.368 5.204 ( 4.599 -6.355 -1.183) 7.933======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -3.042 -0.371 -0.512) 3.107 2.372 ( -14.689 -0.071 2.649) 14.926 2.704 ( -0.614 1.274 1.239) 1.881 3.726 ( -6.020 8.745 -2.549) 10.919 3.812 ( 1.733 -0.493 1.153) 2.139 3.924 ( -4.188 1.114 -7.414) 8.588 4.344 ( -3.799 -0.574 7.168) 8.133 4.581 ( -0.398 3.221 -5.635) 6.503 4.711 ( -10.434 -3.054 2.945) 11.264 4.918 ( 0.979 0.200 -2.183) 2.401 5.058 ( 3.025 4.009 0.871) 5.097 5.277 ( 14.851 -10.386 1.084) 18.154======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 0.000 7.775 -5.146) 9.324 1.657 ( 0.000 11.546 -2.010) 11.719 2.478 ( 0.000 14.234 -6.087) 15.481 3.182 ( 0.000 4.479 3.559) 5.721 3.884 ( 0.000 3.072 -1.103) 3.264 3.989 ( 0.000 10.759 9.614) 14.428 4.159 ( -0.000 -3.857 9.609) 10.354 4.420 ( -0.000 -8.658 2.390) 8.982 4.507 ( 0.000 1.300 -0.327) 1.341 4.836 ( 0.000 6.794 -4.393) 8.091 5.049 ( -0.000 -6.705 -3.399) 7.518 5.951 ( 0.000 -6.234 -10.574) 12.275======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 0.034 5.771 -5.175) 7.751 1.851 ( 8.867 10.670 -2.215) 14.050 2.598 ( 1.700 9.843 -2.587) 10.318 3.280 ( 3.816 4.456 2.558) 6.400 3.847 ( -5.109 3.179 2.248) 6.423 4.056 ( 1.470 -8.389 6.544) 10.741 4.292 ( 3.960 14.080 7.196) 16.301 4.357 ( 1.714 -7.856 1.976) 8.280 4.571 ( 5.803 0.335 1.270) 5.950 4.881 ( -0.818 4.403 -4.101) 6.072 4.971 ( -1.531 -1.563 -4.082) 4.631 5.773 ( -8.260 -6.031 -10.601) 14.730======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 2.953 5.206 -2.450) 6.467 2.144 ( 11.617 10.813 -1.282) 15.922 2.724 ( 4.405 4.840 1.639) 6.746 3.412 ( 6.377 3.094 0.388) 7.098 3.817 ( -3.169 4.390 3.141) 6.259 3.997 ( -1.199 -6.837 2.939) 7.538 4.323 ( 2.495 -6.731 -0.783) 7.221 4.504 ( 3.607 9.018 4.941) 10.897 4.712 ( 6.989 1.853 2.172) 7.550 4.828 ( -4.543 0.005 -3.836) 5.946 4.979 ( 1.101 3.874 -2.501) 4.741 5.497 ( -12.016 -4.815 -8.188) 15.317======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 3.393 4.335 -0.513) 5.528 2.430 ( 8.020 10.434 -0.755) 13.181 2.853 ( 5.043 0.587 3.972) 6.446 3.590 ( 12.158 0.768 -0.177) 12.183 3.851 ( -1.956 9.069 1.881) 9.467 3.894 ( -3.820 -5.289 0.731) 6.565 4.289 ( 0.974 -5.005 -3.256) 6.050 4.649 ( 4.205 3.568 2.485) 6.048 4.729 ( -5.434 0.186 -0.453) 5.456 4.826 ( 2.867 1.343 -0.630) 3.228 5.018 ( -1.527 3.676 -3.263) 5.147 5.253 ( -6.781 -3.319 -1.320) 7.664======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 1.553 2.647 0.029) 3.069 2.619 ( 2.449 8.691 0.439) 9.040 2.901 ( 0.146 -3.321 1.756) 3.760 3.746 ( -1.430 -3.280 -0.947) 3.701 3.869 ( 7.113 2.857 -0.069) 7.665 3.967 ( 6.454 11.550 0.587) 13.244 4.231 ( -1.514 -3.300 -3.437) 5.000 4.614 ( -5.793 -2.069 0.210) 6.155 4.757 ( 3.006 2.097 2.184) 4.267 4.824 ( -1.777 -1.969 -0.952) 2.817 4.998 ( -1.240 3.169 -1.483) 3.712 5.184 ( -0.597 -2.727 1.392) 3.119======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( -0.823 0.912 0.048) 1.230 2.706 ( -1.999 6.948 2.279) 7.580 2.804 ( -5.004 -6.055 -0.562) 7.876 3.697 ( -0.262 -0.184 0.321) 0.454 3.962 ( -3.398 12.496 -3.578) 13.435 4.132 ( -4.386 -3.142 -1.719) 5.663 4.306 ( 16.779 5.549 -3.030) 17.930 4.490 ( -4.743 -4.528 4.348) 7.868 4.769 ( 0.250 -4.470 0.438) 4.499 4.825 ( 2.745 0.480 0.321) 2.805 5.020 ( -1.197 3.882 1.213) 4.239 5.128 ( -1.559 -4.877 -0.214) 5.124======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -2.462 -0.009 0.052) 2.463 2.587 ( -10.683 -5.067 0.573) 11.838 2.759 ( -1.285 4.509 3.215) 5.685 3.734 ( 3.130 1.064 1.593) 3.669 3.963 ( -9.130 1.195 -0.126) 9.209 4.012 ( -4.755 8.520 -7.519) 12.318 4.394 ( -2.301 -4.973 6.729) 8.678 4.557 ( 5.649 3.178 -7.451) 9.876 4.751 ( 2.704 -5.465 -1.063) 6.190 4.875 ( 3.923 -1.924 0.641) 4.416 5.012 ( -0.266 -4.196 2.624) 4.956 5.090 ( 0.605 3.296 0.341) 3.369======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 0.000 3.272 -6.625) 7.389 1.839 ( 0.000 8.115 -2.660) 8.539 2.653 ( 0.000 4.999 -0.257) 5.005 3.316 ( 0.000 5.289 3.903) 6.573 3.943 ( 0.000 3.015 -0.352) 3.036 3.951 ( -0.000 -10.486 8.762) 13.665 4.267 ( -0.000 -8.101 4.597) 9.315 4.463 ( 0.000 18.608 6.386) 19.673 4.524 ( 0.000 0.941 -1.356) 1.651 4.911 ( 0.000 1.385 -5.087) 5.272 4.970 ( 0.000 2.883 -3.332) 4.406 5.737 ( 0.000 -7.554 -10.776) 13.160======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 2.236 3.086 -3.340) 5.068 2.008 ( 10.683 6.725 -2.435) 12.856 2.702 ( 2.143 0.419 3.021) 3.727 3.389 ( 1.557 3.747 2.365) 4.697 3.883 ( -0.392 -3.819 5.967) 7.096 3.971 ( -0.267 1.027 0.102) 1.066 4.217 ( 1.586 -7.353 3.582) 8.332 4.543 ( 1.653 2.276 -0.000) 2.813 4.696 ( 2.831 14.359 2.276) 14.811 4.872 ( -2.243 -0.495 -4.877) 5.391 5.010 ( 0.201 5.452 -1.092) 5.564 5.564 ( -6.199 -7.814 -9.350) 13.672======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( 4.196 2.846 -0.596) 5.105 2.297 ( 14.337 5.950 -2.844) 15.781 2.770 ( 4.914 -2.347 5.909) 8.035 3.466 ( 3.917 1.514 1.340) 4.408 3.860 ( -0.619 -4.140 1.575) 4.472 4.002 ( -0.414 7.354 3.028) 7.964 4.192 ( 2.387 -6.350 0.921) 6.846 4.607 ( 3.461 0.500 -0.807) 3.589 4.805 ( -2.748 0.896 -3.177) 4.295 4.844 ( -0.297 8.571 -1.849) 8.773 5.073 ( -0.424 6.140 0.857) 6.214 5.325 ( -7.905 -7.540 -5.292) 12.138======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 3.391 1.468 0.119) 3.697 2.565 ( 10.406 4.570 -3.595) 11.920 2.840 ( 3.513 -4.767 4.676) 7.545 3.602 ( 10.060 0.674 2.008) 10.280 3.798 ( -1.308 -2.745 0.496) 3.081 4.112 ( 0.503 8.991 3.477) 9.653 4.177 ( 1.534 -2.527 0.250) 2.967 4.630 ( 0.306 -2.289 -5.600) 6.057 4.779 ( -1.542 2.245 3.773) 4.653 4.875 ( -3.140 4.701 -4.008) 6.930 5.056 ( -4.779 0.603 -3.982) 6.250 5.176 ( -1.089 -3.302 2.484) 4.273======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 1.246 -0.210 -0.019) 1.264 2.730 ( 5.313 2.994 -2.279) 6.511 2.797 ( -1.900 -7.534 0.853) 7.816 3.704 ( -0.275 0.244 -1.045) 1.108 3.921 ( 14.726 1.993 3.986) 15.386 4.122 ( 0.321 -5.622 0.231) 5.636 4.273 ( -0.981 13.825 3.234) 14.232 4.535 ( -4.729 -3.954 -4.201) 7.460 4.769 ( -3.653 -1.726 0.416) 4.061 4.827 ( -1.607 2.553 0.130) 3.019 5.038 ( 2.184 1.797 -2.055) 3.496 5.123 ( -2.619 -4.033 0.856) 4.884======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -0.575 -0.996 -0.000) 1.150 2.649 ( -5.019 -8.694 -0.000) 10.039 2.814 ( 1.674 2.899 -0.000) 3.347 3.714 ( 0.989 1.714 -0.000) 1.979 4.034 ( -3.703 -6.414 -0.000) 7.406 4.188 ( 5.091 8.818 0.000) 10.182 4.391 ( -3.280 -5.681 -0.000) 6.560 4.406 ( 3.555 6.158 -0.000) 7.111 4.675 ( -2.314 -4.008 -0.000) 4.628 4.850 ( 0.885 1.533 0.000) 1.770 5.008 ( -3.803 -6.587 0.000) 7.606 5.117 ( 2.810 4.868 -0.000) 5.621======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 0.000 2.440 -1.660) 2.952 1.960 ( 0.000 4.998 -0.740) 5.053 2.682 ( -0.000 -2.792 4.728) 5.490 3.418 ( 0.000 2.342 1.106) 2.590 3.858 ( -0.000 -2.430 4.366) 4.997 3.994 ( 0.000 1.883 0.119) 1.887 4.143 ( -0.000 -7.374 4.745) 8.769 4.532 ( 0.000 0.934 -1.216) 1.533 4.834 ( 0.000 10.118 -6.035) 11.781 4.876 ( 0.000 3.506 -0.406) 3.529 5.076 ( 0.000 7.526 2.675) 7.987 5.498 ( -0.000 -8.919 -9.030) 12.693======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 2.761 2.613 0.860) 3.897 2.103 ( 10.666 3.623 -0.427) 11.272 2.691 ( 2.652 -3.352 6.454) 7.741 3.441 ( 1.285 0.254 -0.163) 1.320 3.851 ( -1.135 -0.799 1.722) 2.212 4.036 ( 2.512 2.162 1.413) 3.603 4.100 ( 1.619 -5.900 3.958) 7.287 4.556 ( 1.858 0.527 -1.224) 2.287 4.820 ( -0.448 0.122 -7.239) 7.254 4.946 ( -1.343 7.280 -2.946) 7.968 5.176 ( -0.695 8.213 6.463) 10.474 5.338 ( -5.166 -6.799 -7.654) 11.467======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 3.397 1.198 1.109) 3.769 2.357 ( 13.997 1.768 -2.630) 14.351 2.740 ( 3.668 -4.070 6.303) 8.352 3.491 ( 5.038 0.090 1.410) 5.232 3.813 ( -2.272 -0.335 -0.097) 2.299 4.051 ( 2.299 -6.582 1.012) 7.045 4.191 ( 5.335 5.454 5.276) 9.276 4.576 ( 1.054 -1.172 -3.646) 3.972 4.816 ( 1.356 1.508 -2.432) 3.167 4.958 ( -1.927 4.318 -4.696) 6.664 5.121 ( -5.908 -8.958 -2.403) 10.997 5.245 ( -5.662 8.877 2.450) 10.810======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 2.404 -0.889 0.366) 2.590 2.569 ( 10.936 -2.566 -4.429) 12.075 2.742 ( 0.466 -5.310 2.076) 5.720 3.656 ( 9.326 2.798 3.144) 10.232 3.789 ( 0.935 0.765 1.376) 1.831 4.025 ( 2.320 -7.521 1.562) 8.024 4.368 ( 5.003 5.591 5.406) 9.248 4.541 ( -1.469 -1.246 -4.945) 5.307 4.852 ( -2.925 2.199 3.361) 4.969 4.933 ( -3.989 -5.284 -1.675) 6.829 4.960 ( 1.205 3.867 -6.889) 7.991 5.190 ( -7.650 1.961 1.521) 8.043======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 0.000 3.776 3.274) 4.998 2.033 ( 0.000 1.761 1.500) 2.313 2.664 ( -0.000 -1.816 7.052) 7.282 3.412 ( -0.000 -2.444 -2.054) 3.193 3.883 ( -0.000 0.816 2.851) 2.965 4.016 ( -0.000 0.100 0.201) 0.225 4.038 ( -0.000 -4.686 3.001) 5.564 4.547 ( 0.000 0.970 -0.435) 1.062 4.778 ( 0.000 -2.799 -9.256) 9.670 5.001 ( 0.000 3.661 -3.316) 4.940 5.208 ( -0.000 -7.464 3.393) 8.199 5.396 ( 0.000 12.120 -2.378) 12.351======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 0.483 2.454 3.084) 3.971 2.143 ( 9.783 -0.271 0.715) 9.812 2.693 ( 1.315 -0.835 6.835) 7.010 3.401 ( 3.583 -3.131 -1.259) 4.922 3.867 ( -2.435 0.514 1.672) 2.998 3.970 ( -0.519 -4.820 1.268) 5.011 4.125 ( 7.018 2.171 2.229) 7.677 4.553 ( -0.110 -0.321 -1.271) 1.316 4.728 ( 3.520 -5.729 -7.721) 10.239 5.004 ( -1.433 1.275 -2.365) 3.045 5.114 ( -2.726 -5.888 0.974) 6.561 5.480 ( -5.628 12.990 -0.079) 14.157======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 0.924 -0.550 1.638) 1.959 2.310 ( 11.205 -5.478 -2.522) 12.725 2.708 ( -0.127 -1.923 3.012) 3.576 3.505 ( 10.093 -0.172 3.466) 10.673 3.836 ( -2.895 2.226 -0.454) 3.680 3.928 ( 1.163 -5.838 3.142) 6.731 4.288 ( 7.379 1.221 0.669) 7.509 4.532 ( 0.435 -1.427 -0.404) 1.546 4.738 ( 7.085 -8.242 -5.253) 12.071 4.950 ( -4.242 -0.721 1.254) 4.482 5.039 ( -2.234 1.367 -1.474) 3.005 5.444 ( -11.518 9.764 -0.632) 15.113======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 0.000 2.493 3.219) 4.071 2.038 ( -0.000 -2.948 2.012) 3.569 2.715 ( -0.000 1.387 7.226) 7.358 3.311 ( -0.000 -5.139 -2.565) 5.743 3.875 ( -0.000 -2.802 4.212) 5.059 4.004 ( -0.000 -1.280 0.319) 1.319 4.053 ( 0.000 4.417 0.591) 4.456 4.556 ( 0.000 -0.058 -0.324) 0.329 4.559 ( -0.000 -12.918 -7.730) 15.054 5.016 ( 0.000 0.058 -1.634) 1.635 5.101 ( -0.000 -2.420 0.994) 2.616 5.664 ( 0.000 12.840 -1.426) 12.919======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( -1.758 -1.143 1.994) 2.894 2.073 ( 7.225 -7.243 -0.561) 10.245 2.731 ( -1.907 -0.021 4.250) 4.659 3.329 ( 8.129 -3.252 0.650) 8.779 3.873 ( 0.362 -1.244 4.780) 4.952 3.935 ( -4.190 0.211 0.148) 4.198 4.183 ( 5.880 2.954 -0.066) 6.581 4.428 ( 4.306 -12.707 -3.244) 13.804 4.568 ( 2.118 -2.187 -1.657) 3.466 4.995 ( -1.462 -0.673 -0.606) 1.720 5.074 ( -1.475 -0.025 0.309) 1.507 5.718 ( -7.057 11.133 -2.661) 13.447======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( -0.000 -4.980 -0.255) 4.986 1.918 ( -0.000 -9.897 -0.091) 9.897 2.769 ( -0.000 -1.457 3.627) 3.909 3.205 ( -0.000 -3.646 0.107) 3.647 3.883 ( -0.000 -0.534 5.319) 5.345 3.977 ( -0.000 -1.635 0.919) 1.875 4.179 ( 0.000 1.379 -0.373) 1.428 4.225 ( -0.000 -7.665 -0.491) 7.680 4.533 ( -0.000 -1.817 -1.011) 2.080 4.991 ( -0.000 -1.499 -1.055) 1.833 5.090 ( -0.000 0.085 0.257) 0.270 5.880 ( 0.000 10.377 -4.681) 11.384======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( -0.000 0.000 17.001) 17.001 0.598 ( -0.000 0.000 17.001) 17.001 0.956 ( -0.000 0.000 27.706) 27.706 3.193 ( 0.000 -0.000 -3.895) 3.895 3.193 ( 0.000 -0.000 -3.895) 3.895 3.849 ( 0.000 -0.000 -4.509) 4.509 3.849 ( 0.000 -0.000 -4.509) 4.509 4.382 ( -0.000 0.000 4.982) 4.982 4.382 ( -0.000 0.000 4.982) 4.982 4.672 ( 0.000 -0.000 -14.709) 14.709 5.813 ( -0.000 0.000 8.878) 8.878 6.582 ( 0.000 -0.000 -1.227) 1.227======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( 6.050 3.493 13.412) 15.122 0.772 ( 5.695 3.288 17.459) 18.657 1.234 ( 14.665 8.467 13.665) 21.760 3.219 ( 4.653 2.686 -3.709) 6.529 3.225 ( 1.927 1.113 -3.421) 4.081 3.850 ( 0.796 0.460 -4.223) 4.321 4.076 ( 16.454 9.500 -5.407) 19.754 4.397 ( 0.027 0.015 4.575) 4.575 4.477 ( 4.895 2.826 -1.566) 5.866 4.647 ( 1.951 1.126 -12.893) 13.088 5.762 ( -6.849 -3.954 8.422) 11.553 6.407 ( -12.625 -7.289 0.681) 14.594======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 10.869 6.275 7.702) 14.725 0.970 ( 6.677 3.855 11.855) 14.142 1.642 ( 17.303 9.990 -0.910) 20.001 3.259 ( 1.900 1.097 -2.422) 3.268 3.408 ( 11.470 6.622 3.240) 13.635 3.859 ( 1.261 0.728 -3.916) 4.178 4.413 ( 0.086 0.049 3.597) 3.598 4.441 ( 13.407 7.741 2.348) 15.658 4.551 ( 3.357 1.938 -9.615) 10.367 4.675 ( 3.759 2.170 -8.097) 9.187 5.561 ( -12.214 -7.052 7.899) 16.165 6.055 ( -16.673 -9.626 -2.753) 19.448======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 8.224 4.748 3.116) 9.995 1.240 ( 12.582 7.264 3.363) 14.913 2.034 ( 16.951 9.787 -4.556) 20.096 3.298 ( 1.883 1.087 -1.007) 2.396 3.749 ( 14.819 8.556 8.283) 19.010 3.884 ( 1.902 1.098 -3.399) 4.047 4.426 ( 0.241 0.139 2.359) 2.375 4.588 ( 2.068 1.194 -7.685) 8.047 4.608 ( 1.583 0.914 2.139) 2.813 4.847 ( 11.038 6.373 -3.318) 13.170 5.266 ( -14.719 -8.498 7.702) 18.659 5.618 ( -18.194 -10.504 -8.424) 22.634======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 9.029 5.213 -1.894) 10.596 1.540 ( 12.004 6.931 0.551) 13.872 2.404 ( 15.348 8.861 -2.935) 17.964 3.340 ( 1.745 1.008 0.500) 2.076 3.924 ( 2.291 1.323 -2.483) 3.628 4.114 ( 12.716 7.342 8.512) 16.972 4.443 ( 0.675 0.389 1.234) 1.459 4.580 ( -1.638 -0.945 4.443) 4.829 4.660 ( 3.257 1.880 -8.574) 9.362 4.935 ( -14.301 -8.257 1.354) 16.569 4.969 ( -5.978 -3.452 -1.037) 6.981 5.267 ( -2.888 -1.668 -4.956) 5.974======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( 8.018 4.629 -3.574) 9.924 1.796 ( 9.683 5.590 -1.067) 11.232 2.714 ( 11.217 6.476 -2.600) 13.211 3.378 ( 1.010 0.583 1.731) 2.088 3.970 ( 2.043 1.179 -1.315) 2.700 4.310 ( -2.871 -1.658 3.217) 4.620 4.468 ( 1.258 0.726 0.512) 1.540 4.516 ( -5.659 -3.267 -1.974) 6.826 4.584 ( -9.050 -5.225 -7.829) 13.057 4.658 ( 1.168 0.674 3.790) 4.023 4.902 ( 3.565 2.058 4.271) 5.932 5.325 ( 3.270 1.888 -0.831) 3.866======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( 5.691 3.286 -3.875) 7.629 1.980 ( 6.208 3.584 -1.835) 7.399 2.879 ( 3.669 2.118 -6.749) 7.968 3.392 ( -0.607 -0.351 2.463) 2.561 4.005 ( 1.154 0.666 -0.370) 1.383 4.080 ( -8.078 -4.664 -7.424) 11.921 4.301 ( -9.274 -5.355 -4.008) 11.434 4.504 ( 1.534 0.885 0.299) 1.796 4.557 ( 0.773 0.446 8.334) 8.381 4.780 ( 5.685 3.282 5.083) 8.302 5.055 ( 6.036 3.485 6.942) 9.838 5.362 ( 1.005 0.580 -4.017) 4.181======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 3.452 1.993 -3.241) 5.138 2.071 ( 2.001 1.155 -1.911) 2.998 2.861 ( -1.206 -0.696 -11.079) 11.166 3.362 ( -2.665 -1.539 2.458) 3.939 3.970 ( -0.471 -0.272 -5.302) 5.330 4.019 ( 0.018 0.010 -0.009) 0.022 4.101 ( -6.141 -3.546 -2.235) 7.435 4.537 ( 1.058 0.611 0.468) 1.308 4.590 ( -1.377 -0.795 7.708) 7.871 4.915 ( 3.952 2.282 5.174) 6.899 5.143 ( -1.877 -1.084 7.268) 7.584 5.425 ( 7.304 4.217 -3.695) 9.208======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 1.241 0.717 -1.404) 2.006 2.055 ( -2.964 -1.711 -1.250) 3.644 2.801 ( -0.477 -0.275 -8.973) 8.989 3.289 ( -3.882 -2.241 1.513) 4.731 3.925 ( -2.012 -1.162 -5.411) 5.889 4.007 ( -0.923 -0.533 -0.227) 1.090 4.064 ( 3.366 1.943 -1.506) 4.168 4.490 ( -9.582 -5.532 5.321) 12.277 4.551 ( -0.152 -0.088 0.743) 0.764 4.991 ( 1.057 0.610 3.223) 3.446 5.097 ( -1.539 -0.888 1.678) 2.444 5.640 ( 9.854 5.689 3.122) 11.798======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.798 ( -0.000 10.713 14.162) 17.758 0.844 ( 0.000 9.871 11.966) 15.512 1.281 ( 0.000 14.062 15.663) 21.049 3.124 ( 0.000 -1.637 -3.819) 4.156 3.289 ( 0.000 8.627 -4.626) 9.789 3.813 ( 0.000 -0.099 -3.567) 3.568 3.989 ( 0.000 10.231 -2.295) 10.485 4.422 ( -0.000 0.566 3.986) 4.026 4.474 ( 0.000 4.716 -2.601) 5.386 4.608 ( 0.000 3.179 -10.913) 11.367 5.792 ( -0.000 -7.783 7.975) 11.143 6.450 ( -0.000 -9.064 -0.934) 9.112======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 2.236 13.285 8.113) 15.727 1.022 ( 1.957 9.584 13.457) 16.636 1.547 ( 7.676 16.235 1.955) 18.065 3.171 ( 6.867 -0.471 -2.424) 7.298 3.370 ( 1.648 8.933 -0.289) 9.088 3.843 ( 2.206 1.753 -3.348) 4.376 4.192 ( 11.718 3.618 0.573) 12.277 4.463 ( 2.319 3.126 3.413) 5.177 4.509 ( 1.255 3.541 -9.007) 9.760 4.629 ( 1.542 2.688 -5.142) 6.004 5.663 ( -6.378 -11.060 7.330) 14.722 6.233 ( -12.578 -8.409 -2.798) 15.387======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 2.437 8.942 6.010) 11.047 1.218 ( 5.042 14.473 6.228) 16.543 1.879 ( 12.245 15.186 -4.797) 20.089 3.269 ( 3.663 1.839 -2.936) 5.042 3.579 ( 11.667 5.573 5.318) 13.980 3.896 ( 1.359 5.385 -1.131) 5.668 4.343 ( 5.758 -5.183 2.291) 8.079 4.539 ( 1.928 3.976 -10.485) 11.378 4.595 ( 3.353 0.466 4.308) 5.479 4.715 ( 8.369 6.913 -3.853) 11.518 5.415 ( -10.398 -12.314 7.382) 17.727 5.849 ( -19.301 -7.338 -6.350) 21.604======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 4.247 8.589 1.301) 9.669 1.494 ( 6.872 14.674 2.614) 16.413 2.243 ( 13.833 13.209 -3.447) 19.435 3.331 ( 1.893 2.952 -1.775) 3.930 3.814 ( 8.985 -1.169 -0.687) 9.087 4.048 ( 6.829 9.605 6.479) 13.448 4.367 ( 3.537 -5.967 2.388) 7.337 4.582 ( 1.898 1.095 -3.895) 4.469 4.620 ( 1.025 1.877 -4.226) 4.736 4.937 ( 6.807 3.636 -2.987) 8.275 5.126 ( -11.825 -10.128 8.616) 17.794 5.402 ( -18.427 -5.347 -7.050) 20.441======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 5.603 7.667 -1.116) 9.561 1.759 ( 5.870 13.589 0.821) 14.825 2.588 ( 11.795 10.427 -1.841) 15.850 3.386 ( 1.030 3.307 -0.405) 3.488 3.913 ( 4.995 -0.328 -1.947) 5.371 4.234 ( 4.101 -4.996 3.991) 7.597 4.410 ( 4.681 0.744 2.215) 5.232 4.579 ( -0.474 -0.973 -2.233) 2.481 4.654 ( -0.051 1.655 -4.787) 5.065 4.806 ( -18.530 0.281 -5.526) 19.338 4.902 ( -2.262 -2.904 3.382) 4.999 5.271 ( 3.674 -0.528 3.720) 5.255======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 4.777 5.788 -2.243) 7.833 1.972 ( 3.300 11.692 -0.232) 12.151 2.822 ( 5.328 5.863 -3.784) 8.780 3.425 ( -0.517 3.119 0.478) 3.197 3.967 ( 0.971 -1.724 -0.187) 1.988 4.135 ( -3.115 -6.278 -6.626) 9.644 4.375 ( -6.415 -4.454 -5.806) 9.732 4.532 ( -4.233 0.942 0.197) 4.341 4.608 ( -1.543 4.561 4.369) 6.502 4.733 ( 4.261 2.435 5.125) 7.096 4.979 ( 7.042 2.246 4.197) 8.500 5.327 ( 1.862 -1.814 0.771) 2.711======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 3.101 3.441 -2.886) 5.458 2.106 ( -0.175 9.430 -0.692) 9.457 2.855 ( -2.140 0.885 -8.353) 8.668 3.429 ( -2.698 2.726 0.733) 3.905 3.896 ( -0.119 -5.128 -2.215) 5.588 4.097 ( -2.060 4.895 -4.697) 7.090 4.185 ( -7.175 -2.603 -3.217) 8.283 4.522 ( 0.734 0.123 1.930) 2.069 4.653 ( -0.880 3.000 7.765) 8.371 4.870 ( 5.505 1.970 4.453) 7.349 5.137 ( 4.743 -1.911 8.980) 10.334 5.323 ( 3.096 -0.508 -5.624) 6.440======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 2.127 1.013 -2.693) 3.579 2.148 ( -4.489 6.898 -0.403) 8.240 2.774 ( -1.968 -1.062 -8.458) 8.749 3.392 ( -5.118 3.479 0.286) 6.195 3.883 ( 2.990 -3.009 -1.493) 4.497 3.995 ( -5.144 -2.512 -3.386) 6.651 4.145 ( -2.693 7.292 -1.615) 7.940 4.538 ( 0.051 -0.773 1.377) 1.580 4.652 ( -6.307 1.685 6.751) 9.391 4.974 ( 2.884 0.390 3.417) 4.488 5.107 ( -1.980 -4.941 2.445) 5.857 5.478 ( 12.358 1.156 0.122) 12.413======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 0.000 12.599 9.075) 15.527 1.133 ( 0.000 12.196 5.474) 13.368 1.690 ( 0.000 20.246 -0.226) 20.248 3.087 ( 0.000 0.127 -1.364) 1.370 3.470 ( 0.000 10.838 0.036) 10.838 3.801 ( 0.000 1.020 -2.368) 2.579 4.176 ( 0.000 6.499 5.063) 8.238 4.458 ( -0.000 0.767 2.417) 2.535 4.508 ( 0.000 4.714 -10.830) 11.811 4.631 ( 0.000 1.966 -1.073) 2.239 5.608 ( -0.000 -14.884 6.047) 16.066 6.248 ( -0.000 -8.256 -5.793) 10.086======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( 0.340 11.248 2.678) 11.567 1.323 ( 3.364 12.903 5.722) 14.510 1.911 ( 3.037 20.419 -5.429) 21.345 3.164 ( 6.940 1.136 -1.211) 7.136 3.572 ( -0.052 9.221 3.815) 9.979 3.884 ( 5.975 4.134 -0.599) 7.290 4.247 ( 1.054 -0.247 5.508) 5.613 4.522 ( 1.471 3.992 -7.946) 9.014 4.534 ( 4.512 0.538 1.885) 4.919 4.671 ( 2.732 4.155 -0.697) 5.021 5.421 ( -4.624 -16.405 4.942) 17.747 6.037 ( -11.638 -6.805 -8.544) 15.961======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 1.079 9.386 0.058) 9.447 1.568 ( 5.498 15.683 3.856) 17.060 2.189 ( 8.071 17.940 -4.479) 20.175 3.290 ( 5.506 2.367 -3.022) 6.712 3.685 ( 4.052 2.874 2.015) 5.360 4.068 ( 5.666 9.099 5.579) 12.084 4.257 ( 2.176 -5.043 3.298) 6.407 4.540 ( 1.486 -0.878 -3.342) 3.762 4.609 ( 1.895 3.462 -3.447) 5.240 4.833 ( 8.401 4.293 1.182) 9.508 5.174 ( -6.308 -15.298 6.096) 17.634 5.672 ( -18.528 -4.276 -10.499) 21.721======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 3.043 8.968 -0.432) 9.480 1.839 ( 4.758 16.589 2.841) 17.491 2.509 ( 10.148 14.084 -1.850) 17.457 3.389 ( 3.163 4.487 -2.791) 6.159 3.781 ( 6.166 -1.273 -0.971) 6.370 4.172 ( -0.905 -4.742 4.411) 6.539 4.345 ( 6.845 4.940 3.698) 9.215 4.537 ( 1.847 -3.001 -0.495) 3.558 4.664 ( 0.551 5.491 -7.162) 9.042 4.924 ( -3.105 -3.506 -1.042) 4.798 5.003 ( -1.601 -6.287 7.034) 9.569 5.303 ( -12.225 -0.430 -5.781) 13.530======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 3.204 7.683 -0.432) 8.336 2.077 ( 2.180 15.792 2.171) 16.089 2.782 ( 6.824 9.063 -1.526) 11.447 3.471 ( 0.486 6.233 -2.105) 6.597 3.891 ( 7.798 -0.783 -1.132) 7.918 4.064 ( -2.823 -8.953 -0.480) 9.399 4.394 ( -2.523 -3.354 -4.849) 6.413 4.599 ( 0.679 2.969 1.166) 3.262 4.664 ( 0.551 1.228 1.610) 2.099 4.823 ( -10.638 2.608 -2.821) 11.310 4.908 ( 3.969 0.456 3.649) 5.411 5.264 ( 2.878 -2.272 2.969) 4.718======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 1.618 5.519 -0.907) 5.822 2.245 ( -1.083 13.853 1.904) 14.025 2.887 ( -1.116 3.132 -4.532) 5.621 3.509 ( -2.138 5.864 -2.613) 6.766 3.873 ( -3.455 -5.353 0.074) 6.371 4.088 ( 7.608 3.876 -5.419) 10.113 4.256 ( -5.670 -3.462 -4.246) 7.884 4.553 ( -3.368 -0.065 3.534) 4.882 4.733 ( -1.594 4.414 4.011) 6.173 4.801 ( 4.904 1.516 1.995) 5.507 5.031 ( 6.744 -0.948 5.276) 8.615 5.270 ( 0.370 -3.336 -0.772) 3.445======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( 0.012 3.065 -1.446) 3.389 2.332 ( -4.663 11.507 2.185) 12.606 2.806 ( -5.399 -0.693 -6.182) 8.237 3.512 ( -3.172 6.338 -2.807) 7.623 3.812 ( 0.964 -2.528 -0.050) 2.706 4.075 ( -6.969 -1.741 -3.400) 7.947 4.242 ( 0.804 7.833 -4.431) 9.035 4.536 ( -0.070 -0.705 3.730) 3.797 4.777 ( -1.273 4.642 4.988) 6.932 4.916 ( 5.251 -0.007 3.429) 6.272 5.078 ( -0.407 -8.150 5.416) 9.794 5.278 ( 7.418 -1.419 -3.492) 8.321======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 0.000 9.429 0.424) 9.439 1.404 ( 0.000 12.379 -0.059) 12.379 2.085 ( 0.000 20.665 -7.086) 21.846 3.119 ( 0.000 2.768 2.244) 3.563 3.739 ( 0.000 13.469 6.503) 14.957 3.823 ( 0.000 2.383 -1.268) 2.699 4.290 ( -0.000 -1.071 10.408) 10.463 4.485 ( 0.000 0.846 0.636) 1.058 4.515 ( 0.000 0.640 -5.266) 5.305 4.690 ( 0.000 5.063 -1.127) 5.187 5.296 ( -0.000 -17.150 1.665) 17.231 6.037 ( 0.000 -6.697 -11.041) 12.913======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -0.276 8.113 -3.282) 8.756 1.604 ( 7.031 12.546 -0.251) 14.384 2.280 ( 2.240 18.801 -5.418) 19.694 3.208 ( 4.667 3.248 1.540) 5.891 3.757 ( -4.589 6.042 2.278) 7.921 4.040 ( 9.141 10.032 5.331) 14.581 4.251 ( -3.432 -4.134 8.026) 9.658 4.491 ( 0.579 -3.522 -0.407) 3.592 4.572 ( 5.587 1.871 -0.059) 5.892 4.768 ( 3.416 4.670 -0.414) 5.801 5.109 ( -2.850 -13.937 -0.388) 14.231 5.841 ( -9.971 -5.309 -12.525) 16.867======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 2.387 7.751 -2.434) 8.468 1.888 ( 9.024 13.815 0.557) 16.511 2.512 ( 5.807 15.080 -2.117) 16.298 3.337 ( 5.642 3.780 -0.664) 6.824 3.751 ( -2.064 2.973 1.450) 3.899 4.165 ( -2.173 -6.702 4.709) 8.474 4.311 ( 6.382 9.449 5.115) 12.497 4.464 ( 1.815 -4.881 1.393) 5.390 4.679 ( 2.909 4.778 -3.956) 6.852 4.886 ( 6.356 -3.492 5.111) 8.873 4.935 ( -3.361 -5.653 -1.496) 6.745 5.529 ( -14.742 -2.407 -11.564) 18.890======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 3.443 7.224 -0.710) 8.034 2.176 ( 6.339 14.373 1.276) 15.761 2.755 ( 6.743 9.734 0.192) 11.843 3.490 ( 6.098 7.174 -1.878) 9.601 3.761 ( 1.552 0.218 0.606) 1.680 4.052 ( -3.774 -8.006 2.321) 9.150 4.372 ( -0.734 -3.647 -3.011) 4.786 4.572 ( 6.219 4.610 5.467) 9.477 4.709 ( -2.926 2.322 -4.291) 5.689 4.858 ( 2.669 -3.390 4.969) 6.580 4.952 ( -1.647 0.020 -3.012) 3.433 5.273 ( -7.011 0.015 -3.562) 7.864======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 2.129 5.680 -0.101) 6.067 2.397 ( 1.875 13.368 2.146) 13.669 2.907 ( 1.951 3.511 -0.871) 4.110 3.629 ( -2.732 11.176 -3.263) 11.959 3.861 ( 6.864 -2.969 1.218) 7.577 3.915 ( 2.197 -3.555 -1.693) 4.509 4.287 ( -3.153 -3.475 -3.070) 5.607 4.639 ( -4.540 0.306 1.422) 4.767 4.722 ( 5.055 1.833 2.381) 5.880 4.847 ( -4.655 0.860 -2.138) 5.194 4.944 ( 3.915 1.023 2.582) 4.801 5.231 ( 0.366 -2.055 0.849) 2.254======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( -0.203 3.588 -0.237) 3.602 2.529 ( -2.201 11.417 3.297) 12.086 2.881 ( -4.865 -1.251 -3.071) 5.887 3.632 ( -4.218 8.181 -3.850) 9.977 3.801 ( -1.655 -0.958 -0.158) 1.919 4.150 ( 3.070 3.137 -4.082) 5.994 4.193 ( 4.327 1.015 -2.263) 4.988 4.572 ( -3.246 -1.546 5.448) 6.527 4.814 ( 1.566 0.984 -2.758) 3.321 4.829 ( 4.163 0.215 4.617) 6.220 5.012 ( 1.945 -2.963 4.424) 5.669 5.199 ( -0.602 -2.629 -1.876) 3.286======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 0.000 6.075 -6.354) 8.791 1.632 ( 0.000 10.947 -2.756) 11.289 2.422 ( 0.000 16.062 -4.404) 16.655 3.224 ( 0.000 4.892 4.378) 6.565 3.876 ( 0.000 3.256 -0.462) 3.288 4.091 ( 0.000 13.548 9.813) 16.728 4.271 ( -0.000 -7.159 11.980) 13.956 4.447 ( -0.000 -6.640 2.660) 7.153 4.501 ( 0.000 0.801 -0.905) 1.208 4.794 ( 0.000 6.005 -3.540) 6.971 5.010 ( -0.000 -8.179 -3.922) 9.071 5.824 ( 0.000 -5.765 -13.773) 14.931======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 1.509 5.836 -4.787) 7.697 1.824 ( 9.643 10.183 -2.766) 14.294 2.577 ( 2.381 12.148 -1.388) 12.456 3.311 ( 2.393 4.647 3.293) 6.178 3.867 ( -4.082 4.244 1.615) 6.106 4.135 ( -1.528 -10.184 8.317) 13.237 4.358 ( 2.046 10.425 4.311) 11.465 4.390 ( 1.693 -4.700 5.319) 7.297 4.584 ( 7.476 -0.516 1.179) 7.586 4.837 ( -0.120 3.122 -4.245) 5.271 4.932 ( -1.014 -1.054 -3.144) 3.467 5.649 ( -7.622 -4.797 -13.133) 15.925======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 4.028 5.737 -1.729) 7.220 2.125 ( 12.619 9.976 -2.181) 16.233 2.743 ( 4.960 7.265 1.937) 9.007 3.424 ( 5.072 3.562 1.806) 6.456 3.852 ( -4.130 5.970 3.123) 7.902 4.025 ( -1.838 -9.075 2.481) 9.586 4.326 ( 0.112 -5.943 1.279) 6.080 4.551 ( 3.945 6.151 4.132) 8.394 4.720 ( 5.614 1.812 -0.891) 5.966 4.799 ( -1.928 -1.565 -1.435) 2.868 4.957 ( 0.938 4.487 -1.904) 4.964 5.407 ( -9.736 -2.936 -8.892) 13.508======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 3.732 4.589 -0.225) 5.919 2.417 ( 9.452 9.147 -1.661) 13.258 2.888 ( 3.822 2.217 2.686) 5.171 3.600 ( 11.491 1.901 2.008) 11.819 3.868 ( -5.307 10.454 0.671) 11.743 3.899 ( -2.664 -6.554 0.787) 7.119 4.272 ( -0.414 -4.625 -0.085) 4.644 4.653 ( 2.669 -0.715 -1.074) 2.965 4.733 ( -2.611 3.449 0.229) 4.332 4.827 ( 3.527 -1.546 1.197) 4.033 4.980 ( -2.629 4.215 -3.891) 6.310 5.241 ( -3.525 -1.753 -1.069) 4.080======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 1.556 2.695 -0.000) 3.112 2.621 ( 4.329 7.498 -0.000) 8.657 2.910 ( -1.549 -2.682 -0.000) 3.097 3.741 ( -1.775 -3.074 -0.000) 3.550 3.869 ( 3.097 5.365 -0.000) 6.195 3.971 ( 6.790 11.761 -0.000) 13.581 4.212 ( -1.896 -3.284 -0.000) 3.792 4.615 ( -2.208 -3.825 -0.000) 4.417 4.769 ( 1.470 2.546 -0.000) 2.940 4.819 ( -1.384 -2.397 -0.000) 2.768 4.990 ( 1.287 2.230 -0.000) 2.575 5.192 ( -1.351 -2.341 -0.000) 2.703======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 0.000 4.584 -4.883) 6.698 1.814 ( 0.000 8.663 -2.094) 8.913 2.657 ( 0.000 7.596 0.840) 7.642 3.353 ( 0.000 4.438 3.149) 5.441 3.942 ( 0.000 3.135 0.135) 3.138 4.058 ( -0.000 -13.975 11.740) 18.252 4.318 ( -0.000 -7.832 5.221) 9.413 4.508 ( 0.000 0.873 -1.599) 1.822 4.517 ( 0.000 16.746 3.836) 17.179 4.853 ( 0.000 1.310 -6.047) 6.187 4.943 ( 0.000 4.247 -1.712) 4.579 5.613 ( 0.000 -5.934 -12.866) 14.169======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 3.043 4.590 -1.629) 5.743 1.986 ( 10.166 7.377 -1.675) 12.671 2.738 ( 2.564 2.757 3.887) 5.412 3.411 ( 1.440 2.790 1.743) 3.591 3.958 ( -1.106 -7.881 8.006) 11.288 3.970 ( -0.455 2.764 0.021) 2.801 4.262 ( 0.413 -7.486 4.907) 8.961 4.540 ( 2.777 0.808 -0.535) 2.941 4.697 ( 1.946 10.801 -2.170) 11.188 4.826 ( -1.570 1.037 -4.038) 4.455 5.006 ( 0.116 7.660 0.145) 7.662 5.461 ( -5.133 -5.944 -9.968) 12.691======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 4.311 3.592 0.149) 5.613 2.268 ( 13.565 5.895 -2.565) 15.011 2.832 ( 4.615 -0.958 5.914) 7.562 3.484 ( 4.550 1.101 2.116) 5.137 3.872 ( -1.782 -5.771 0.574) 6.067 4.037 ( 0.027 8.436 4.146) 9.400 4.216 ( 0.758 -6.290 3.372) 7.177 4.587 ( 2.568 -1.276 -2.844) 4.039 4.771 ( 1.914 1.563 -3.338) 4.153 4.822 ( -2.095 6.190 -2.208) 6.898 5.070 ( -2.795 7.110 -1.943) 7.883 5.280 ( -4.865 -5.214 -2.942) 7.714======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 0.000 4.583 0.794) 4.651 1.957 ( 0.000 5.915 0.215) 5.919 2.739 ( -0.000 -1.131 6.194) 6.297 3.422 ( 0.000 0.994 -0.244) 1.024 3.917 ( -0.000 -5.180 6.807) 8.554 3.997 ( 0.000 1.861 0.348) 1.893 4.196 ( -0.000 -8.029 5.336) 9.640 4.520 ( 0.000 1.296 -1.147) 1.730 4.748 ( 0.000 3.403 -9.152) 9.764 4.867 ( 0.000 6.685 -2.290) 7.066 5.109 ( 0.000 11.296 3.021) 11.693 5.403 ( -0.000 -7.425 -8.485) 11.275======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 2.203 3.822 2.124) 4.896 2.102 ( 9.485 4.264 0.197) 10.401 2.768 ( 2.667 -2.744 8.143) 8.997 3.437 ( 2.168 -0.639 -0.685) 2.362 3.872 ( -2.676 -2.028 2.254) 4.044 4.057 ( 3.637 1.405 2.898) 4.858 4.145 ( 1.590 -6.253 4.328) 7.769 4.541 ( 1.031 0.582 -1.678) 2.054 4.738 ( 1.356 0.582 -8.346) 8.475 4.912 ( -1.460 6.054 -3.652) 7.219 5.218 ( -3.719 10.635 -3.090) 11.682 5.275 ( -2.296 -6.400 0.351) 6.808======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 0.000 4.358 3.653) 5.687 2.051 ( 0.000 2.248 1.888) 2.936 2.752 ( -0.000 -1.896 9.767) 9.949 3.388 ( -0.000 -3.055 -2.507) 3.952 3.920 ( -0.000 0.332 4.272) 4.285 4.018 ( -0.000 0.070 0.132) 0.149 4.072 ( -0.000 -6.200 3.286) 7.017 4.542 ( 0.000 1.216 -0.507) 1.317 4.680 ( 0.000 -2.575 -9.395) 9.742 4.963 ( 0.000 4.179 -4.094) 5.851 5.206 ( -0.000 -6.954 -3.903) 7.974 5.392 ( 0.000 13.106 1.998) 13.258======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( -0.000 0.000 14.185) 14.185 0.761 ( -0.000 0.000 14.185) 14.185 1.224 ( -0.000 0.000 23.632) 23.632 3.149 ( 0.000 -0.000 -4.453) 4.453 3.149 ( 0.000 -0.000 -4.453) 4.453 3.808 ( 0.000 -0.000 -3.338) 3.338 3.808 ( 0.000 -0.000 -3.338) 3.338 4.429 ( -0.000 0.000 4.099) 4.099 4.429 ( -0.000 0.000 4.099) 4.099 4.521 ( 0.000 -0.000 -14.088) 14.088 5.900 ( -0.000 0.000 7.716) 7.716 6.568 ( 0.000 -0.000 -1.438) 1.438======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 4.172 2.409 12.033) 12.961 0.945 ( 6.852 3.956 15.372) 17.289 1.361 ( 6.170 3.562 10.570) 12.747 3.183 ( 2.305 1.331 -4.533) 5.256 3.193 ( 6.800 3.926 -1.387) 7.973 3.811 ( 0.733 0.423 -3.150) 3.262 4.017 ( 16.593 9.580 -5.459) 19.922 4.440 ( -0.147 -0.085 3.639) 3.643 4.451 ( 1.186 0.685 -6.145) 6.296 4.544 ( 4.207 2.429 -4.702) 6.761 5.843 ( -6.921 -3.996 7.067) 10.668 6.408 ( -12.384 -7.150 -0.437) 14.306======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 8.765 5.061 7.848) 12.807 1.108 ( 2.615 1.510 14.421) 14.734 1.616 ( 14.721 8.499 -3.947) 17.451 3.225 ( 2.600 1.501 -3.998) 4.999 3.452 ( 13.923 8.039 4.920) 16.813 3.823 ( 1.245 0.719 -2.998) 3.325 4.391 ( 11.922 6.883 -9.289) 16.607 4.446 ( -0.246 -0.142 2.871) 2.885 4.496 ( 8.292 4.787 -4.188) 10.450 4.617 ( 2.344 1.353 -2.012) 3.372 5.638 ( -12.122 -6.998 6.664) 15.502 6.033 ( -18.439 -10.646 -1.297) 21.331======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 4.612 2.663 6.029) 8.045 1.280 ( 10.980 6.339 4.188) 13.353 1.991 ( 17.469 10.086 -3.547) 20.481 3.277 ( 2.798 1.616 -2.915) 4.352 3.831 ( 15.516 8.958 7.098) 19.271 3.852 ( 2.050 1.184 -2.676) 3.573 4.450 ( -0.145 -0.084 2.110) 2.116 4.488 ( 4.479 2.586 -8.932) 10.321 4.631 ( -0.557 -0.322 -0.337) 0.726 4.799 ( 12.344 7.127 -5.303) 15.209 5.333 ( -15.714 -9.072 4.103) 18.603 5.576 ( -18.489 -10.675 1.377) 21.394======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 7.187 4.149 1.368) 8.411 1.551 ( 10.909 6.298 1.685) 12.709 2.381 ( 15.790 9.117 -1.443) 18.290 3.335 ( 2.694 1.555 -1.510) 3.457 3.900 ( 2.645 1.527 -2.030) 3.668 4.191 ( 12.364 7.139 5.813) 15.415 4.457 ( 0.315 0.182 1.553) 1.595 4.573 ( 2.758 1.592 -7.769) 8.396 4.601 ( 0.324 0.187 -1.090) 1.152 4.874 ( -17.514 -10.112 -10.394) 22.738 4.944 ( -2.952 -1.704 -1.889) 3.897 5.332 ( -3.474 -2.006 13.908) 14.475======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 7.024 4.055 -1.021) 8.174 1.791 ( 8.960 5.173 0.049) 10.346 2.690 ( 10.123 5.844 -2.183) 11.891 3.388 ( 1.833 1.059 0.024) 2.117 3.956 ( 2.473 1.428 -1.168) 3.085 4.302 ( -12.522 -7.229 -6.475) 15.842 4.433 ( -5.788 -3.342 -8.187) 10.569 4.477 ( 0.977 0.564 1.165) 1.622 4.550 ( 3.658 2.112 -1.035) 4.349 4.718 ( 2.380 1.374 6.606) 7.154 4.934 ( 3.917 2.262 1.220) 4.685 5.364 ( 0.088 0.051 8.210) 8.211======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 5.235 3.022 -2.768) 6.648 1.964 ( 5.787 3.341 -1.122) 6.776 2.808 ( 1.166 0.673 -6.896) 7.026 3.413 ( -0.077 -0.045 1.509) 1.512 3.996 ( -6.811 -3.933 -8.291) 11.428 4.001 ( 1.442 0.833 -0.437) 1.722 4.252 ( -7.690 -4.440 -5.262) 10.322 4.509 ( 1.384 0.799 0.816) 1.795 4.651 ( 1.398 0.807 9.412) 9.550 4.831 ( 5.653 3.264 4.445) 7.897 5.114 ( 9.267 5.350 3.040) 11.124 5.344 ( -3.260 -1.882 1.827) 4.185======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -0.000 9.669 13.179) 16.345 0.953 ( 0.000 7.652 8.860) 11.707 1.422 ( -0.000 6.568 11.156) 12.945 3.088 ( 0.000 -0.906 -2.892) 3.031 3.249 ( 0.000 9.672 -3.185) 10.183 3.783 ( 0.000 0.031 -2.222) 2.222 3.964 ( 0.000 12.876 -2.329) 13.085 4.417 ( 0.000 0.729 -8.613) 8.644 4.458 ( -0.000 0.220 2.943) 2.951 4.542 ( 0.000 5.726 -1.637) 5.955 5.867 ( -0.000 -7.965 6.358) 10.191 6.435 ( -0.000 -10.076 -1.775) 10.231======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 1.334 10.532 7.068) 12.754 1.162 ( 3.546 6.613 13.384) 15.344 1.545 ( 3.558 12.319 -2.369) 13.040 3.145 ( 6.043 0.156 -2.592) 6.577 3.378 ( 4.540 10.578 1.754) 11.644 3.816 ( 2.223 2.172 -1.898) 3.642 4.185 ( 10.529 8.025 -1.602) 13.335 4.412 ( 1.144 2.058 -8.568) 8.885 4.495 ( 2.623 3.048 2.319) 4.642 4.600 ( 1.013 3.314 -0.903) 3.582 5.732 ( -6.156 -11.217 5.833) 14.062 6.202 ( -12.269 -11.046 -2.988) 16.777======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 3.138 7.314 4.483) 9.134 1.296 ( 1.663 10.787 8.077) 13.578 1.829 ( 12.798 15.097 -4.472) 20.290 3.233 ( 3.805 2.108 -3.789) 5.768 3.627 ( 11.328 4.324 3.576) 12.642 3.897 ( 2.474 8.217 1.035) 8.643 4.354 ( 5.997 -3.498 -0.301) 6.949 4.441 ( 2.272 3.699 -7.805) 8.932 4.622 ( 0.767 -0.919 0.621) 1.348 4.686 ( 8.772 10.056 -1.502) 13.429 5.487 ( -10.015 -11.821 5.982) 16.608 5.797 ( -18.533 -10.791 -3.343) 21.705======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 3.370 6.708 2.854) 8.031 1.526 ( 5.532 14.275 3.492) 15.702 2.217 ( 14.753 13.381 -1.613) 19.983 3.304 ( 2.839 3.077 -3.216) 5.279 3.803 ( 7.209 -1.467 -1.266) 7.465 4.111 ( 7.690 10.449 4.794) 13.831 4.384 ( 3.616 -5.578 0.607) 6.676 4.518 ( 3.957 5.041 -5.935) 8.735 4.597 ( -1.172 -2.014 -1.835) 2.966 4.891 ( 4.291 4.749 -5.349) 8.341 5.162 ( -18.726 -7.023 -1.976) 20.097 5.415 ( -8.547 -9.831 9.503) 16.125======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 4.611 6.996 1.289) 8.477 1.773 ( 4.798 13.716 1.823) 14.645 2.573 ( 11.501 10.165 -0.948) 15.379 3.373 ( 2.118 3.305 -2.035) 4.422 3.895 ( 5.374 -0.232 -1.467) 5.575 4.256 ( 0.771 -8.240 -0.449) 8.288 4.412 ( 2.577 0.478 -1.781) 3.169 4.532 ( -0.950 1.504 -6.198) 6.448 4.614 ( -1.417 3.394 -2.768) 4.603 4.776 ( -11.734 1.549 -0.016) 11.836 4.911 ( 0.164 -0.367 -0.559) 0.688 5.363 ( 1.920 -4.572 12.544) 13.489======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 3.643 5.723 -0.393) 6.795 1.974 ( 2.307 12.180 0.696) 12.416 2.780 ( 3.216 4.985 -4.123) 7.224 3.424 ( 0.582 2.602 -0.682) 2.752 3.967 ( 0.720 -1.008 0.139) 1.247 4.051 ( -4.748 -5.387 -9.071) 11.570 4.316 ( -6.307 -3.910 -5.516) 9.246 4.534 ( -2.420 2.481 0.423) 3.491 4.658 ( 3.507 4.982 4.719) 7.706 4.783 ( 3.394 0.982 4.450) 5.682 5.006 ( 7.785 3.651 0.803) 8.636 5.369 ( -0.870 -4.768 7.143) 8.632======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 0.000 10.081 2.462) 10.378 1.232 ( 0.000 8.498 9.760) 12.941 1.662 ( 0.000 16.197 -5.162) 17.000 3.083 ( 0.000 1.337 0.534) 1.440 3.483 ( 0.000 13.366 2.391) 13.578 3.783 ( 0.000 1.159 -1.128) 1.617 4.224 ( 0.000 10.762 4.145) 11.533 4.404 ( 0.000 4.083 -8.763) 9.668 4.478 ( -0.000 0.246 1.429) 1.450 4.629 ( 0.000 2.945 0.303) 2.960 5.664 ( -0.000 -15.691 4.713) 16.383 6.183 ( -0.000 -11.114 -6.681) 12.968======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 0.579 8.756 1.001) 8.832 1.376 ( 4.091 8.864 4.184) 10.621 1.851 ( 3.583 20.025 -5.838) 21.164 3.157 ( 4.886 2.101 0.028) 5.318 3.613 ( -0.210 9.433 3.713) 10.140 3.889 ( 7.469 5.954 1.388) 9.652 4.297 ( -1.464 1.869 4.015) 4.665 4.433 ( 1.006 5.363 -7.746) 9.475 4.564 ( 5.698 0.388 2.767) 6.346 4.671 ( 2.346 5.030 0.480) 5.571 5.470 ( -3.587 -17.740 4.529) 18.657 5.944 ( -11.201 -9.571 -9.233) 17.387======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 1.911 7.325 -0.014) 7.570 1.602 ( 6.045 14.243 2.551) 15.682 2.151 ( 9.272 18.203 -2.652) 20.599 3.263 ( 4.286 3.058 -1.957) 5.617 3.700 ( 2.574 2.504 0.934) 3.711 4.126 ( 6.841 10.618 5.086) 13.616 4.282 ( 0.677 -3.853 1.479) 4.182 4.495 ( 2.554 4.738 -4.468) 6.995 4.589 ( -0.435 -1.487 -0.703) 1.701 4.840 ( 6.237 5.344 0.224) 8.217 5.246 ( -3.579 -15.960 7.112) 17.836 5.568 ( -16.686 -6.872 -9.059) 20.192======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 3.605 7.990 0.673) 8.792 1.867 ( 4.792 16.196 2.344) 17.052 2.496 ( 10.603 14.248 -0.642) 17.772 3.360 ( 3.225 4.731 -2.584) 6.282 3.773 ( 5.086 -0.821 -0.669) 5.195 4.204 ( -2.225 -5.469 1.503) 6.092 4.364 ( 4.814 4.411 -0.062) 6.530 4.542 ( 0.110 -1.045 -0.485) 1.157 4.602 ( 2.921 5.632 -2.833) 6.949 4.906 ( -0.444 -0.629 -1.294) 1.506 5.033 ( -12.816 -4.394 -2.730) 13.820 5.304 ( -0.500 -6.132 6.483) 8.938======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 3.003 7.255 0.724) 7.885 2.101 ( 1.884 16.026 2.429) 16.318 2.764 ( 5.534 8.941 -1.942) 10.693 3.447 ( 0.848 5.886 -2.399) 6.413 3.877 ( 8.318 -0.427 -1.729) 8.506 4.049 ( -6.313 -8.183 -2.173) 10.561 4.350 ( -3.652 -3.594 -3.394) 6.146 4.588 ( 0.583 4.600 -2.721) 5.376 4.695 ( 1.980 3.212 3.459) 5.119 4.800 ( -6.199 0.948 -1.430) 6.432 4.937 ( 3.709 1.916 2.076) 4.662 5.320 ( 2.686 -6.052 7.360) 9.900======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 0.000 5.129 -1.945) 5.486 1.394 ( 0.000 11.174 -1.980) 11.348 2.015 ( 0.000 20.998 -5.877) 21.805 3.150 ( 0.000 3.709 3.734) 5.263 3.812 ( 0.000 15.284 7.128) 16.865 3.815 ( 0.000 2.466 -0.294) 2.483 4.398 ( -0.000 0.847 10.170) 10.205 4.456 ( 0.000 4.703 -5.393) 7.156 4.488 ( 0.000 0.284 -0.152) 0.322 4.694 ( 0.000 3.672 1.585) 3.999 5.312 ( -0.000 -19.893 1.482) 19.948 5.912 ( 0.000 -8.462 -12.879) 15.411======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.741 6.483 -3.798) 7.550 1.592 ( 8.520 11.249 -2.108) 14.268 2.233 ( 3.157 19.603 -3.382) 20.141 3.232 ( 2.725 4.069 2.992) 5.739 3.776 ( -4.453 5.251 1.490) 7.044 4.098 ( 8.427 11.305 5.229) 15.039 4.326 ( -5.803 -2.204 6.105) 8.707 4.484 ( 0.950 0.731 -0.954) 1.532 4.567 ( 3.310 1.142 -0.120) 3.504 4.785 ( 5.280 3.262 3.520) 7.136 5.110 ( -0.783 -17.590 0.826) 17.626 5.701 ( -9.391 -6.104 -14.344) 18.199======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 3.750 7.347 -1.686) 8.420 1.885 ( 10.530 12.738 -1.076) 16.562 2.497 ( 6.594 16.038 -0.816) 17.360 3.340 ( 3.739 4.681 1.245) 6.119 3.764 ( -2.588 3.478 1.028) 4.455 4.201 ( -3.015 -5.980 2.013) 6.993 4.350 ( 3.312 6.684 2.404) 7.838 4.500 ( 2.713 -2.162 5.142) 6.203 4.628 ( 0.772 6.255 -5.151) 8.140 4.902 ( 1.012 0.937 -0.439) 1.447 4.974 ( 4.586 -13.967 6.984) 16.275 5.407 ( -12.095 -1.859 -11.653) 16.898======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 4.050 7.015 -0.000) 8.101 2.183 ( 7.745 13.415 -0.000) 15.490 2.756 ( 6.170 10.687 -0.000) 12.340 3.480 ( 4.649 8.053 -0.000) 9.298 3.765 ( 0.512 0.888 -0.000) 1.025 4.065 ( -4.657 -8.066 -0.000) 9.313 4.356 ( -1.941 -3.362 -0.000) 3.882 4.608 ( 3.171 5.493 0.000) 6.343 4.678 ( 1.040 1.802 0.000) 2.081 4.892 ( 0.464 0.804 -0.000) 0.929 4.930 ( -2.755 -4.772 -0.000) 5.510 5.254 ( -0.832 -1.441 -0.000) 1.664======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 0.000 5.554 -6.162) 8.295 1.602 ( 0.000 10.966 -2.924) 11.349 2.388 ( 0.000 17.527 -2.270) 17.673 3.270 ( 0.000 4.758 4.289) 6.406 3.875 ( 0.000 3.303 0.311) 3.318 4.182 ( 0.000 15.185 7.004) 16.723 4.404 ( -0.000 -8.246 13.316) 15.662 4.474 ( -0.000 -3.238 2.765) 4.257 4.489 ( 0.000 0.430 -1.339) 1.406 4.770 ( 0.000 2.072 -0.729) 2.196 4.970 ( -0.000 -9.067 -3.502) 9.719 5.669 ( 0.000 -5.412 -16.004) 16.894======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 2.903 6.446 -3.419) 7.853 1.796 ( 9.802 10.355 -2.566) 14.488 2.569 ( 2.797 13.941 -0.139) 14.219 3.345 ( 1.746 4.280 3.111) 5.571 3.882 ( -3.208 4.632 1.247) 5.771 4.217 ( -5.685 -8.720 6.693) 12.375 4.387 ( 0.033 2.773 2.404) 3.671 4.460 ( 2.715 1.511 7.295) 7.929 4.596 ( 7.387 -0.877 1.144) 7.527 4.796 ( 2.205 -1.206 -3.308) 4.154 4.910 ( -0.448 0.154 -0.905) 1.021 5.506 ( -6.570 -3.206 -14.290) 16.051======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 0.000 6.386 -2.054) 6.708 1.797 ( 0.000 9.457 -1.165) 9.529 2.670 ( 0.000 9.869 1.617) 10.000 3.379 ( 0.000 3.292 1.737) 3.722 3.946 ( 0.000 3.108 0.703) 3.186 4.189 ( -0.000 -16.999 13.033) 21.420 4.372 ( -0.000 -6.478 5.008) 8.188 4.492 ( 0.000 0.929 -1.543) 1.801 4.541 ( 0.000 12.303 1.149) 12.357 4.787 ( 0.000 2.171 -6.626) 6.973 4.936 ( 0.000 5.005 0.109) 5.006 5.478 ( 0.000 -3.609 -12.768) 13.269======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( -0.000 0.000 10.337) 10.337 0.889 ( -0.000 0.000 10.337) 10.337 1.440 ( -0.000 0.000 17.667) 17.667 3.104 ( 0.000 -0.000 -3.984) 3.984 3.104 ( 0.000 -0.000 -3.984) 3.984 3.780 ( 0.000 -0.000 -2.083) 2.083 3.780 ( 0.000 -0.000 -2.083) 2.083 4.388 ( 0.000 -0.000 -11.351) 11.351 4.466 ( -0.000 0.000 2.872) 2.872 4.466 ( -0.000 0.000 2.872) 2.872 5.971 ( -0.000 0.000 5.748) 5.748 6.553 ( 0.000 -0.000 -1.359) 1.359======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 3.295 1.902 9.164) 9.922 1.081 ( 10.000 5.774 10.330) 15.494 1.452 ( -2.185 -1.261 7.117) 7.551 3.134 ( 2.289 1.322 -4.568) 5.277 3.188 ( 9.282 5.359 0.341) 10.724 3.785 ( 0.607 0.350 -2.050) 2.166 3.969 ( 15.128 8.734 -3.754) 17.867 4.362 ( 1.329 0.767 -8.720) 8.854 4.471 ( -0.236 -0.137 2.406) 2.421 4.536 ( 3.959 2.286 0.972) 4.673 5.906 ( -6.898 -3.983 4.961) 9.384 6.401 ( -12.037 -6.950 -0.660) 13.915======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 7.433 4.292 6.604) 10.830 1.258 ( -0.995 -0.575 13.841) 13.889 1.564 ( 14.746 8.514 -5.621) 17.931 3.180 ( 2.927 1.690 -4.628) 5.731 3.500 ( 15.346 8.860 3.870) 18.138 3.798 ( 1.171 0.676 -1.969) 2.389 4.303 ( 9.492 5.480 -6.819) 12.909 4.434 ( 10.178 5.876 -6.741) 13.548 4.471 ( -0.377 -0.218 1.880) 1.929 4.620 ( 2.707 1.563 1.342) 3.402 5.695 ( -12.160 -7.021 4.034) 14.609 6.031 ( -18.258 -10.541 1.077) 21.110======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( 2.089 1.206 6.867) 7.278 1.324 ( 9.831 5.676 4.228) 12.114 1.965 ( 18.400 10.623 -1.218) 21.281 3.240 ( 3.430 1.981 -4.190) 5.766 3.829 ( 2.093 1.209 -1.678) 2.943 3.884 ( 15.489 8.943 2.374) 18.042 4.417 ( 5.111 2.951 -4.135) 7.206 4.469 ( -0.243 -0.141 1.588) 1.612 4.594 ( 1.085 0.626 -6.584) 6.702 4.750 ( 8.523 4.921 -3.812) 10.554 5.344 ( -18.746 -10.823 -1.082) 21.673 5.646 ( -13.564 -7.831 10.821) 19.037======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 5.571 3.216 4.352) 7.766 1.574 ( 10.014 5.782 2.530) 11.837 2.375 ( 15.796 9.120 0.273) 18.241 3.310 ( 3.560 2.055 -3.260) 5.246 3.883 ( 2.811 1.623 -1.195) 3.459 4.222 ( 12.777 7.377 -0.313) 14.757 4.474 ( 0.226 0.131 1.572) 1.594 4.505 ( 0.060 0.035 -5.397) 5.397 4.541 ( -2.784 -1.607 -10.111) 10.610 4.788 ( -6.706 -3.872 -4.808) 9.115 4.943 ( -7.041 -4.065 1.538) 8.274 5.497 ( -4.347 -2.510 16.827) 17.560======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 0.000 5.828 4.589) 7.418 1.064 ( 0.000 10.846 10.006) 14.757 1.508 ( -0.000 -0.903 5.331) 5.407 3.067 ( 0.000 0.129 -1.070) 1.077 3.223 ( 0.000 11.404 -1.834) 11.551 3.766 ( 0.000 0.174 -0.959) 0.975 3.943 ( 0.000 14.206 -1.538) 14.289 4.329 ( 0.000 1.168 -7.242) 7.336 4.482 ( -0.000 -0.042 1.699) 1.700 4.543 ( 0.000 4.868 0.694) 4.917 5.922 ( -0.000 -8.004 4.046) 8.969 6.416 ( -0.000 -11.264 -1.746) 11.398======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 1.898 8.230 4.077) 9.379 1.296 ( 5.535 5.159 12.192) 14.349 1.498 ( 0.609 8.883 -6.506) 11.027 3.121 ( 4.046 1.226 -1.792) 4.591 3.400 ( 6.542 11.862 1.940) 13.685 3.803 ( 2.177 2.804 -0.705) 3.619 4.165 ( 8.287 10.725 -1.918) 13.689 4.340 ( 1.805 1.947 -4.888) 5.563 4.513 ( 2.260 3.263 1.137) 4.129 4.599 ( 1.055 2.763 0.290) 2.972 5.781 ( -5.956 -10.958 3.422) 12.933 6.175 ( -11.144 -13.631 -2.069) 17.728======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 3.968 5.922 3.122) 7.782 1.370 ( 0.265 7.488 5.562) 9.331 1.794 ( 14.405 15.487 -1.723) 21.221 3.195 ( 3.085 2.784 -3.355) 5.341 3.649 ( 9.788 3.292 0.678) 10.349 3.909 ( 3.319 10.794 0.834) 11.323 4.340 ( 6.053 0.227 -1.656) 6.279 4.386 ( 2.917 0.927 -3.163) 4.402 4.612 ( -1.115 2.624 -1.821) 3.383 4.680 ( 7.020 7.485 -0.099) 10.262 5.526 ( -11.906 -10.653 1.053) 16.010 5.792 ( -13.419 -14.224 2.945) 19.775======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 3.810 4.927 3.721) 7.255 1.562 ( 4.857 13.695 3.354) 14.913 2.212 ( 15.346 13.230 0.770) 20.276 3.268 ( 3.002 3.523 -3.663) 5.902 3.790 ( 6.605 -1.340 -1.228) 6.850 4.133 ( 6.881 11.683 -0.825) 13.584 4.373 ( 3.051 -6.052 -2.860) 7.357 4.480 ( 3.588 4.314 -1.098) 5.718 4.577 ( -1.831 -0.381 -1.775) 2.578 4.834 ( 1.393 6.110 -5.454) 8.308 5.129 ( -19.038 -8.242 -2.905) 20.948 5.549 ( -2.777 -10.966 14.582) 18.456======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 0.000 8.623 -0.984) 8.679 1.328 ( -0.000 2.996 8.183) 8.714 1.589 ( 0.000 15.590 -8.428) 17.723 3.099 ( 0.000 2.458 2.545) 3.538 3.511 ( 0.000 15.884 2.466) 16.074 3.777 ( 0.000 1.230 -0.001) 1.230 4.255 ( 0.000 14.223 1.111) 14.267 4.344 ( 0.000 3.850 -1.530) 4.143 4.487 ( -0.000 -0.146 0.344) 0.374 4.633 ( 0.000 3.406 0.287) 3.418 5.704 ( -0.000 -15.730 2.756) 15.970 6.114 ( -0.000 -14.631 -6.271) 15.918======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 1.618 7.077 -1.150) 7.350 1.400 ( 4.854 4.873 -0.009) 6.878 1.801 ( 5.060 20.734 -3.098) 21.566 3.167 ( 2.638 3.224 1.854) 4.560 3.643 ( -1.258 9.316 1.872) 9.585 3.906 ( 8.412 7.886 1.424) 11.618 4.328 ( -3.443 4.465 1.673) 5.881 4.376 ( 0.950 4.220 -2.296) 4.897 4.591 ( 5.222 0.513 2.295) 5.727 4.677 ( 2.230 6.854 0.564) 7.230 5.512 ( -2.585 -17.651 3.190) 18.122 5.853 ( -9.629 -13.584 -7.964) 18.457======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 3.403 5.894 -0.000) 6.806 1.616 ( 7.462 12.925 -0.000) 14.924 2.137 ( 10.390 17.996 -0.000) 20.780 3.253 ( 2.398 4.153 -0.000) 4.795 3.705 ( 1.583 2.742 -0.000) 3.166 4.156 ( 6.674 11.560 0.000) 13.348 4.289 ( -1.516 -2.626 -0.000) 3.033 4.468 ( 3.485 6.036 -0.000) 6.970 4.587 ( -1.541 -2.669 -0.000) 3.082 4.841 ( 3.661 6.342 -0.000) 7.323 5.293 ( -7.155 -12.392 0.000) 14.309 5.511 ( -7.738 -13.403 -0.000) 15.476======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 0.000 2.212 -5.077) 5.538 1.365 ( 0.000 10.811 -3.457) 11.350 1.971 ( 0.000 21.670 -2.408) 21.803 3.194 ( 0.000 4.142 4.468) 6.092 3.817 ( 0.000 2.453 0.677) 2.544 3.874 ( 0.000 16.843 4.043) 17.322 4.408 ( 0.000 6.045 -2.292) 6.465 4.482 ( 0.000 -0.111 -0.912) 0.918 4.506 ( -0.000 2.294 9.671) 9.939 4.717 ( 0.000 5.170 2.684) 5.825 5.328 ( -0.000 -21.862 1.661) 21.925 5.775 ( -0.000 -11.260 -13.287) 17.416======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -0.000 0.000 5.492) 5.492 0.972 ( -0.000 0.000 5.492) 5.492 1.583 ( -0.000 0.000 9.602) 9.602 3.070 ( -0.000 -0.000 -2.375) 2.375 3.070 ( 0.000 -0.000 -2.375) 2.375 3.765 ( 0.000 -0.000 -0.976) 0.976 3.765 ( 0.000 -0.000 -0.976) 0.976 4.294 ( 0.000 -0.000 -6.450) 6.450 4.488 ( -0.000 0.000 1.473) 1.473 4.488 ( -0.000 0.000 1.473) 1.473 6.017 ( -0.000 0.000 3.108) 3.108 6.542 ( 0.000 -0.000 -0.859) 0.859======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 3.237 1.869 5.117) 6.337 1.151 ( 12.285 7.093 2.903) 14.480 1.510 ( -7.122 -4.112 4.048) 9.166 3.092 ( 1.853 1.070 -3.370) 3.992 3.197 ( 10.985 6.342 1.057) 12.728 3.768 ( 0.454 0.262 -1.070) 1.192 3.941 ( 13.738 7.932 -1.675) 15.952 4.292 ( 1.668 0.963 -4.192) 4.613 4.489 ( -0.249 -0.144 1.044) 1.083 4.546 ( 3.697 2.135 0.689) 4.325 5.943 ( -6.853 -3.956 2.136) 8.196 6.397 ( -11.539 -6.662 -0.058) 13.324======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 6.998 4.040 4.194) 9.104 1.366 ( -4.587 -2.648 3.993) 6.633 1.525 ( 17.992 10.388 0.698) 20.787 3.134 ( 2.767 1.597 -4.079) 5.181 3.524 ( 15.272 8.817 0.427) 17.640 3.782 ( 1.111 0.641 -0.996) 1.624 4.259 ( 9.866 5.696 -1.529) 11.495 4.370 ( 7.897 4.559 -5.179) 10.487 4.485 ( -0.331 -0.191 0.779) 0.867 4.631 ( 3.116 1.799 0.596) 3.647 5.717 ( -12.895 -7.445 0.317) 14.893 6.058 ( -15.951 -9.209 4.198) 18.891======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( 0.000 4.468 -0.312) 4.479 1.141 ( 0.000 13.231 4.563) 13.995 1.533 ( -0.000 -6.916 -0.172) 6.918 3.068 ( 0.000 1.234 1.260) 1.764 3.208 ( 0.000 12.813 -1.185) 12.868 3.762 ( 0.000 0.342 0.116) 0.361 3.934 ( 0.000 14.929 -0.213) 14.930 4.280 ( 0.000 1.731 -1.884) 2.558 4.493 ( -0.000 -0.212 0.348) 0.407 4.548 ( 0.000 4.365 0.205) 4.370 5.949 ( -0.000 -7.941 1.082) 8.014 6.402 ( -0.000 -12.425 -0.981) 12.464======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 3.755 6.505 -0.000) 7.511 1.403 ( 9.539 16.522 0.000) 19.077 1.421 ( -2.735 -4.737 -0.000) 5.470 3.111 ( 1.526 2.643 -0.000) 3.052 3.411 ( 7.142 12.371 0.000) 14.285 3.799 ( 1.906 3.302 -0.000) 3.813 4.154 ( 6.688 11.584 -0.000) 13.376 4.314 ( 1.524 2.640 -0.000) 3.049 4.519 ( 1.942 3.363 -0.000) 3.884 4.601 ( 1.401 2.427 -0.000) 2.802 5.799 ( -6.115 -10.592 0.000) 12.230 6.163 ( -9.039 -15.656 -0.000) 18.078======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( -0.000 0.000 0.000) 0.000 1.000 ( -0.000 0.000 0.000) 0.000 1.633 ( -0.000 0.000 0.000) 0.000 3.057 ( -0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.760 ( -0.000 0.000 0.000) 0.000 3.760 ( -0.000 0.000 0.000) 0.000 4.259 ( -0.000 0.000 0.000) 0.000 4.496 ( -0.000 0.000 0.000) 0.000 4.496 ( -0.000 0.000 0.000) 0.000 6.033 ( -0.000 0.000 0.000) 0.000 6.537 ( -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 10.0 478.463 478.463 1256.048 0.000 -0.000 0.000 3/32928 20.0 230.319 230.319 264.224 0.000 -0.000 0.000 3/32928 30.0 103.450 103.450 68.101 0.000 -0.000 0.000 3/32928 40.0 55.107 55.107 25.605 0.000 -0.000 0.000 3/32928 50.0 35.749 35.749 13.843 0.000 -0.000 0.000 3/32928 60.0 26.309 26.309 9.308 0.000 -0.000 0.000 3/32928 70.0 20.914 20.914 7.090 0.000 -0.000 0.000 3/32928 80.0 17.456 17.456 5.808 0.000 -0.000 0.000 3/32928 90.0 15.049 15.049 4.974 0.000 -0.000 0.000 3/32928 100.0 13.271 13.271 4.382 0.000 -0.000 0.000 3/32928 110.0 11.898 11.898 3.937 0.000 -0.000 0.000 3/32928 120.0 10.800 10.800 3.586 0.000 -0.000 0.000 3/32928 130.0 9.901 9.901 3.299 0.000 -0.000 0.000 3/32928 140.0 9.147 9.147 3.060 0.000 -0.000 0.000 3/32928 150.0 8.507 8.507 2.856 0.000 -0.000 0.000 3/32928 160.0 7.954 7.954 2.680 0.000 -0.000 0.000 3/32928 170.0 7.471 7.471 2.526 0.000 -0.000 0.000 3/32928 180.0 7.046 7.046 2.389 0.000 -0.000 0.000 3/32928 190.0 6.668 6.668 2.268 0.000 -0.000 0.000 3/32928 200.0 6.330 6.330 2.158 0.000 -0.000 0.000 3/32928 210.0 6.025 6.025 2.059 0.000 -0.000 0.000 3/32928 220.0 5.749 5.749 1.969 0.000 -0.000 0.000 3/32928 230.0 5.498 5.498 1.887 0.000 -0.000 0.000 3/32928 240.0 5.268 5.268 1.811 0.000 -0.000 0.000 3/32928 250.0 5.057 5.057 1.742 0.000 -0.000 0.000 3/32928 260.0 4.862 4.862 1.677 0.000 -0.000 0.000 3/32928 270.0 4.683 4.683 1.618 0.000 -0.000 0.000 3/32928 280.0 4.516 4.516 1.562 0.000 -0.000 0.000 3/32928 290.0 4.361 4.361 1.511 0.000 -0.000 0.000 3/32928 300.0 4.216 4.216 1.462 0.000 -0.000 0.000 3/32928 310.0 4.081 4.081 1.417 0.000 -0.000 0.000 3/32928 320.0 3.954 3.954 1.374 0.000 -0.000 0.000 3/32928 330.0 3.835 3.835 1.334 0.000 -0.000 0.000 3/32928 340.0 3.723 3.723 1.296 0.000 -0.000 0.000 3/32928 350.0 3.617 3.617 1.261 0.000 -0.000 0.000 3/32928 360.0 3.517 3.517 1.227 0.000 -0.000 0.000 3/32928 370.0 3.423 3.423 1.195 0.000 -0.000 0.000 3/32928 380.0 3.334 3.334 1.165 0.000 -0.000 0.000 3/32928 390.0 3.249 3.249 1.136 0.000 -0.000 0.000 3/32928 400.0 3.168 3.168 1.108 0.000 -0.000 0.000 3/32928 410.0 3.092 3.092 1.082 0.000 -0.000 0.000 3/32928 420.0 3.019 3.019 1.057 0.000 -0.000 0.000 3/32928 430.0 2.949 2.949 1.033 0.000 -0.000 0.000 3/32928 440.0 2.883 2.883 1.011 0.000 -0.000 0.000 3/32928 450.0 2.819 2.819 0.989 0.000 -0.000 0.000 3/32928 460.0 2.758 2.758 0.968 0.000 -0.000 0.000 3/32928 470.0 2.700 2.700 0.948 0.000 -0.000 0.000 3/32928 480.0 2.644 2.644 0.929 0.000 -0.000 0.000 3/32928 490.0 2.591 2.591 0.911 0.000 -0.000 0.000 3/32928 500.0 2.540 2.540 0.893 0.000 -0.000 0.000 3/32928 510.0 2.490 2.490 0.876 0.000 -0.000 0.000 3/32928 520.0 2.443 2.443 0.860 0.000 -0.000 0.000 3/32928 530.0 2.397 2.397 0.844 0.000 -0.000 0.000 3/32928 540.0 2.353 2.353 0.829 0.000 -0.000 0.000 3/32928 550.0 2.311 2.311 0.814 0.000 -0.000 0.000 3/32928 560.0 2.270 2.270 0.800 0.000 -0.000 0.000 3/32928 570.0 2.230 2.230 0.786 0.000 -0.000 0.000 3/32928 580.0 2.192 2.192 0.773 0.000 -0.000 0.000 3/32928 590.0 2.155 2.155 0.760 0.000 -0.000 0.000 3/32928 600.0 2.120 2.120 0.748 0.000 -0.000 0.000 3/32928 610.0 2.085 2.085 0.736 0.000 -0.000 0.000 3/32928 620.0 2.052 2.052 0.724 0.000 -0.000 0.000 3/32928 630.0 2.020 2.020 0.713 0.000 -0.000 0.000 3/32928 640.0 1.988 1.988 0.702 0.000 -0.000 0.000 3/32928 650.0 1.958 1.958 0.692 0.000 -0.000 0.000 3/32928 660.0 1.928 1.928 0.681 0.000 -0.000 0.000 3/32928 670.0 1.900 1.900 0.671 0.000 -0.000 0.000 3/32928 680.0 1.872 1.872 0.662 0.000 -0.000 0.000 3/32928 690.0 1.845 1.845 0.652 0.000 -0.000 0.000 3/32928 700.0 1.819 1.819 0.643 0.000 -0.000 0.000 3/32928 710.0 1.794 1.794 0.634 0.000 -0.000 0.000 3/32928 720.0 1.769 1.769 0.626 0.000 -0.000 0.000 3/32928 730.0 1.745 1.745 0.617 0.000 -0.000 0.000 3/32928 740.0 1.722 1.722 0.609 0.000 -0.000 0.000 3/32928 750.0 1.699 1.699 0.601 0.000 -0.000 0.000 3/32928 760.0 1.677 1.677 0.594 0.000 -0.000 0.000 3/32928 770.0 1.655 1.655 0.586 0.000 -0.000 0.000 3/32928 780.0 1.634 1.634 0.579 0.000 -0.000 0.000 3/32928 790.0 1.613 1.613 0.572 0.000 -0.000 0.000 3/32928 800.0 1.593 1.593 0.565 0.000 -0.000 0.000 3/32928 810.0 1.574 1.574 0.558 0.000 -0.000 0.000 3/32928 820.0 1.555 1.555 0.551 0.000 -0.000 0.000 3/32928 830.0 1.536 1.536 0.544 0.000 -0.000 0.000 3/32928 840.0 1.518 1.518 0.538 0.000 -0.000 0.000 3/32928 850.0 1.500 1.500 0.532 0.000 -0.000 0.000 3/32928 860.0 1.483 1.483 0.526 0.000 -0.000 0.000 3/32928 870.0 1.466 1.466 0.520 0.000 -0.000 0.000 3/32928 880.0 1.450 1.450 0.514 0.000 -0.000 0.000 3/32928 890.0 1.433 1.433 0.508 0.000 -0.000 0.000 3/32928 900.0 1.418 1.418 0.503 0.000 -0.000 0.000 3/32928 910.0 1.402 1.402 0.497 0.000 -0.000 0.000 3/32928 920.0 1.387 1.387 0.492 0.000 -0.000 0.000 3/32928 930.0 1.372 1.372 0.487 0.000 -0.000 0.000 3/32928 940.0 1.358 1.358 0.482 0.000 -0.000 0.000 3/32928 950.0 1.343 1.343 0.477 0.000 -0.000 0.000 3/32928 960.0 1.330 1.330 0.472 0.000 -0.000 0.000 3/32928 970.0 1.316 1.316 0.467 0.000 -0.000 0.000 3/32928 980.0 1.303 1.303 0.463 0.000 -0.000 0.000 3/32928 990.0 1.290 1.290 0.458 0.000 -0.000 0.000 3/32928 1000.0 1.277 1.277 0.453 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 22:57:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|