# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/90f9eb2b-d3db-448b-9e0e-24b75033d8d4/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 Er2SO2 / P-3m1 (164) / materials id 12671](https://mdr.nims.go.jp/datasets/9950fd58-b60b-41e6-8cb1-d2751c24556c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:09:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 3.716855637211628 0.000000000000000 0.000000000000000 b -1.858427818605814 3.218891404024666 0.000000000000000 c 0.000000000000000 0.000000000000000 6.467901030000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.37039807994505 15.999 2 O 0.33333333333333 0.66666666666667 0.62960192005495 15.999 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *4 Er 0.66666666666667 0.33333333333333 0.71743045847647 167.259 5 Er 0.33333333333333 0.66666666666667 0.28256954152353 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.716855637211628 0.000000000000000 0.000000000000000 b -1.858427818605814 3.218891404024666 0.000000000000000 c 0.000000000000000 0.000000000000000 6.467901030000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.37039807994505 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.62960192005495 15.999 > 2 *3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 *4 Er 0.66666666666667 0.33333333333333 0.71743045847647 167.259 > 4 5 Er 0.33333333333333 0.66666666666667 0.28256954152353 167.259 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.150566911634884 0.000000000000000 0.000000000000000 b -5.575283455817442 9.656674212073998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.935802060000000Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.18519903997252 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.18519903997252 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.18519903997252 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.18519903997252 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.18519903997252 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.18519903997252 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.18519903997252 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.18519903997252 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.18519903997252 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.68519903997252 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.68519903997252 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.68519903997252 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.68519903997252 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.68519903997252 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.68519903997252 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.68519903997252 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.68519903997252 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.68519903997252 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.31480096002747 15.999 > 2 20 O 0.44444444444444 0.22222222222222 0.31480096002747 15.999 > 2 21 O 0.77777777777778 0.22222222222222 0.31480096002747 15.999 > 2 22 O 0.11111111111111 0.55555555555556 0.31480096002747 15.999 > 2 23 O 0.44444444444444 0.55555555555556 0.31480096002747 15.999 > 2 24 O 0.77777777777778 0.55555555555556 0.31480096002747 15.999 > 2 25 O 0.11111111111111 0.88888888888889 0.31480096002747 15.999 > 2 26 O 0.44444444444444 0.88888888888889 0.31480096002747 15.999 > 2 27 O 0.77777777777778 0.88888888888889 0.31480096002747 15.999 > 2 28 O 0.11111111111111 0.22222222222222 0.81480096002748 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.81480096002748 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.81480096002748 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.81480096002748 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.81480096002748 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.81480096002748 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.81480096002748 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.81480096002748 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.81480096002748 15.999 > 2 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 3 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 3 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 3 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 3 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 3 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 3 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 3 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 3 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 3 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 3 *55 Er 0.22222222222222 0.11111111111111 0.35871522923824 167.259 > 4 56 Er 0.55555555555556 0.11111111111111 0.35871522923824 167.259 > 4 57 Er 0.88888888888889 0.11111111111111 0.35871522923824 167.259 > 4 58 Er 0.22222222222222 0.44444444444444 0.35871522923824 167.259 > 4 59 Er 0.55555555555556 0.44444444444444 0.35871522923824 167.259 > 4 60 Er 0.88888888888889 0.44444444444444 0.35871522923824 167.259 > 4 61 Er 0.22222222222222 0.77777777777778 0.35871522923824 167.259 > 4 62 Er 0.55555555555556 0.77777777777778 0.35871522923824 167.259 > 4 63 Er 0.88888888888889 0.77777777777778 0.35871522923824 167.259 > 4 64 Er 0.22222222222222 0.11111111111111 0.85871522923824 167.259 > 4 65 Er 0.55555555555556 0.11111111111111 0.85871522923824 167.259 > 4 66 Er 0.88888888888889 0.11111111111111 0.85871522923824 167.259 > 4 67 Er 0.22222222222222 0.44444444444444 0.85871522923824 167.259 > 4 68 Er 0.55555555555556 0.44444444444444 0.85871522923824 167.259 > 4 69 Er 0.88888888888889 0.44444444444444 0.85871522923824 167.259 > 4 70 Er 0.22222222222222 0.77777777777778 0.85871522923824 167.259 > 4 71 Er 0.55555555555556 0.77777777777778 0.85871522923824 167.259 > 4 72 Er 0.88888888888889 0.77777777777778 0.85871522923824 167.259 > 4 73 Er 0.11111111111111 0.22222222222222 0.14128477076176 167.259 > 5 74 Er 0.44444444444444 0.22222222222222 0.14128477076176 167.259 > 5 75 Er 0.77777777777778 0.22222222222222 0.14128477076176 167.259 > 5 76 Er 0.11111111111111 0.55555555555556 0.14128477076176 167.259 > 5 77 Er 0.44444444444444 0.55555555555556 0.14128477076176 167.259 > 5 78 Er 0.77777777777778 0.55555555555556 0.14128477076176 167.259 > 5 79 Er 0.11111111111111 0.88888888888889 0.14128477076176 167.259 > 5 80 Er 0.44444444444444 0.88888888888889 0.14128477076176 167.259 > 5 81 Er 0.77777777777778 0.88888888888889 0.14128477076176 167.259 > 5 82 Er 0.11111111111111 0.22222222222222 0.64128477076176 167.259 > 5 83 Er 0.44444444444444 0.22222222222222 0.64128477076176 167.259 > 5 84 Er 0.77777777777778 0.22222222222222 0.64128477076176 167.259 > 5 85 Er 0.11111111111111 0.55555555555556 0.64128477076176 167.259 > 5 86 Er 0.44444444444444 0.55555555555556 0.64128477076176 167.259 > 5 87 Er 0.77777777777778 0.55555555555556 0.64128477076176 167.259 > 5 88 Er 0.11111111111111 0.88888888888889 0.64128477076176 167.259 > 5 89 Er 0.44444444444444 0.88888888888889 0.64128477076176 167.259 > 5 90 Er 0.77777777777778 0.88888888888889 0.64128477076176 167.259 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2948360 -0.0000000 0.0000000 0.0000000 5.2948360 0.0000000 0.0000000 0.0000000 5.1572526-------------------------- Born effective charges -------------------------- 1 O -2.6285108 0.0000000 0.0000000 0.0000000 -2.6285108 0.0000000 0.0000000 0.0000000 -2.7192924 2 O -2.6285108 0.0000000 0.0000000 0.0000000 -2.6285108 0.0000000 0.0000000 0.0000000 -2.7192924 3 S -2.1684307 0.0000000 0.0000000 0.0000000 -2.1684307 0.0000000 0.0000000 0.0000000 -2.2324518 4 Er 3.7127262 -0.0000000 0.0000000 0.0000000 3.7127262 0.0000000 0.0000000 0.0000000 3.8355183 5 Er 3.7127262 -0.0000000 0.0000000 0.0000000 3.7127262 0.0000000 0.0000000 0.0000000 3.8355183----------------------------------------------------------------------------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: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 172Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.113Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.120--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 172Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 00:09:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:09:52]-------------------------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 2]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.716855637211628 0.000000000000000 0.000000000000000 b -1.858427818605814 3.218891404024666 0.000000000000000 c 0.000000000000000 0.000000000000000 6.467901030000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.37039807994505 15.999 2 O 0.33333333333333 0.66666666666667 0.62960192005495 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Er 0.66666666666667 0.33333333333333 0.71743045847647 167.259 5 Er 0.33333333333333 0.66666666666667 0.28256954152353 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 11.150566911634884 0.000000000000000 0.000000000000000 b -5.575283455817442 9.656674212073998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.935802060000000Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.18519903997252 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.18519903997252 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.18519903997252 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.18519903997252 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.18519903997252 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.18519903997252 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.18519903997252 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.18519903997252 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.18519903997252 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.68519903997252 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.68519903997252 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.68519903997252 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.68519903997252 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.68519903997252 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.68519903997252 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.68519903997252 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.68519903997252 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.68519903997252 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.31480096002747 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.31480096002747 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.31480096002747 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.31480096002747 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.31480096002747 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.31480096002747 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.31480096002747 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.31480096002747 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.31480096002747 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.81480096002748 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.81480096002748 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.81480096002748 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.81480096002748 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.81480096002748 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.81480096002748 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.81480096002748 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.81480096002748 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.81480096002748 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Er 0.22222222222222 0.11111111111111 0.35871522923824 167.259 > 55 56 Er 0.55555555555556 0.11111111111111 0.35871522923824 167.259 > 55 57 Er 0.88888888888889 0.11111111111111 0.35871522923824 167.259 > 55 58 Er 0.22222222222222 0.44444444444444 0.35871522923824 167.259 > 55 59 Er 0.55555555555556 0.44444444444444 0.35871522923824 167.259 > 55 60 Er 0.88888888888889 0.44444444444444 0.35871522923824 167.259 > 55 61 Er 0.22222222222222 0.77777777777778 0.35871522923824 167.259 > 55 62 Er 0.55555555555556 0.77777777777778 0.35871522923824 167.259 > 55 63 Er 0.88888888888889 0.77777777777778 0.35871522923824 167.259 > 55 64 Er 0.22222222222222 0.11111111111111 0.85871522923824 167.259 > 55 65 Er 0.55555555555556 0.11111111111111 0.85871522923824 167.259 > 55 66 Er 0.88888888888889 0.11111111111111 0.85871522923824 167.259 > 55 67 Er 0.22222222222222 0.44444444444444 0.85871522923824 167.259 > 55 68 Er 0.55555555555556 0.44444444444444 0.85871522923824 167.259 > 55 69 Er 0.88888888888889 0.44444444444444 0.85871522923824 167.259 > 55 70 Er 0.22222222222222 0.77777777777778 0.85871522923824 167.259 > 55 71 Er 0.55555555555556 0.77777777777778 0.85871522923824 167.259 > 55 72 Er 0.88888888888889 0.77777777777778 0.85871522923824 167.259 > 55 73 Er 0.11111111111111 0.22222222222222 0.14128477076176 167.259 > 73 74 Er 0.44444444444444 0.22222222222222 0.14128477076176 167.259 > 73 75 Er 0.77777777777778 0.22222222222222 0.14128477076176 167.259 > 73 76 Er 0.11111111111111 0.55555555555556 0.14128477076176 167.259 > 73 77 Er 0.44444444444444 0.55555555555556 0.14128477076176 167.259 > 73 78 Er 0.77777777777778 0.55555555555556 0.14128477076176 167.259 > 73 79 Er 0.11111111111111 0.88888888888889 0.14128477076176 167.259 > 73 80 Er 0.44444444444444 0.88888888888889 0.14128477076176 167.259 > 73 81 Er 0.77777777777778 0.88888888888889 0.14128477076176 167.259 > 73 82 Er 0.11111111111111 0.22222222222222 0.64128477076176 167.259 > 73 83 Er 0.44444444444444 0.22222222222222 0.64128477076176 167.259 > 73 84 Er 0.77777777777778 0.22222222222222 0.64128477076176 167.259 > 73 85 Er 0.11111111111111 0.55555555555556 0.64128477076176 167.259 > 73 86 Er 0.44444444444444 0.55555555555556 0.64128477076176 167.259 > 73 87 Er 0.77777777777778 0.55555555555556 0.64128477076176 167.259 > 73 88 Er 0.11111111111111 0.88888888888889 0.64128477076176 167.259 > 73 89 Er 0.44444444444444 0.88888888888889 0.64128477076176 167.259 > 73 90 Er 0.77777777777778 0.88888888888889 0.64128477076176 167.259 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2948360 -0.0000000 0.0000000 0.0000000 5.2948360 0.0000000 0.0000000 0.0000000 5.1572526-------------------------- Born effective charges -------------------------- 1 O -2.6285108 0.0000000 0.0000000 0.0000000 -2.6285108 0.0000000 0.0000000 0.0000000 -2.7192924 2 O -2.6285108 0.0000000 0.0000000 0.0000000 -2.6285108 0.0000000 0.0000000 0.0000000 -2.7192924 3 S -2.1684307 0.0000000 0.0000000 0.0000000 -2.1684307 0.0000000 0.0000000 0.0000000 -2.2324518 4 Er 3.7127262 -0.0000000 0.0000000 0.0000000 3.7127262 0.0000000 0.0000000 0.0000000 3.8355183 5 Er 3.7127262 -0.0000000 0.0000000 0.0000000 3.7127262 0.0000000 0.0000000 0.0000000 3.8355183----------------------------------------------------------------------------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[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (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 2026-01-08 00:09:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:09:56]-------------------------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 2]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.716855637211628 0.000000000000000 0.000000000000000 b -1.858427818605814 3.218891404024666 0.000000000000000 c 0.000000000000000 0.000000000000000 6.467901030000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.37039807994505 15.999 2 O 0.33333333333333 0.66666666666667 0.62960192005495 15.999 3 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 4 Er 0.66666666666667 0.33333333333333 0.71743045847647 167.259 5 Er 0.33333333333333 0.66666666666667 0.28256954152353 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 11.150566911634884 0.000000000000000 0.000000000000000 b -5.575283455817442 9.656674212073998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.935802060000000Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.18519903997252 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.18519903997252 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.18519903997252 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.18519903997252 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.18519903997252 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.18519903997252 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.18519903997252 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.18519903997252 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.18519903997252 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.68519903997252 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.68519903997252 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.68519903997252 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.68519903997252 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.68519903997252 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.68519903997252 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.68519903997252 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.68519903997252 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.68519903997252 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.31480096002747 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.31480096002747 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.31480096002747 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.31480096002747 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.31480096002747 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.31480096002747 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.31480096002747 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.31480096002747 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.31480096002747 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.81480096002748 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.81480096002748 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.81480096002748 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.81480096002748 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.81480096002748 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.81480096002748 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.81480096002748 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.81480096002748 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.81480096002748 15.999 > 19 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.00000000000000 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.00000000000000 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.00000000000000 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.00000000000000 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.00000000000000 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.00000000000000 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.00000000000000 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.00000000000000 32.065 > 37 46 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 37 47 S 0.33333333333333 0.00000000000000 0.50000000000000 32.065 > 37 48 S 0.66666666666667 0.00000000000000 0.50000000000000 32.065 > 37 49 S 0.00000000000000 0.33333333333333 0.50000000000000 32.065 > 37 50 S 0.33333333333333 0.33333333333333 0.50000000000000 32.065 > 37 51 S 0.66666666666667 0.33333333333333 0.50000000000000 32.065 > 37 52 S 0.00000000000000 0.66666666666667 0.50000000000000 32.065 > 37 53 S 0.33333333333333 0.66666666666667 0.50000000000000 32.065 > 37 54 S 0.66666666666667 0.66666666666667 0.50000000000000 32.065 > 37 55 Er 0.22222222222222 0.11111111111111 0.35871522923824 167.259 > 55 56 Er 0.55555555555556 0.11111111111111 0.35871522923824 167.259 > 55 57 Er 0.88888888888889 0.11111111111111 0.35871522923824 167.259 > 55 58 Er 0.22222222222222 0.44444444444444 0.35871522923824 167.259 > 55 59 Er 0.55555555555556 0.44444444444444 0.35871522923824 167.259 > 55 60 Er 0.88888888888889 0.44444444444444 0.35871522923824 167.259 > 55 61 Er 0.22222222222222 0.77777777777778 0.35871522923824 167.259 > 55 62 Er 0.55555555555556 0.77777777777778 0.35871522923824 167.259 > 55 63 Er 0.88888888888889 0.77777777777778 0.35871522923824 167.259 > 55 64 Er 0.22222222222222 0.11111111111111 0.85871522923824 167.259 > 55 65 Er 0.55555555555556 0.11111111111111 0.85871522923824 167.259 > 55 66 Er 0.88888888888889 0.11111111111111 0.85871522923824 167.259 > 55 67 Er 0.22222222222222 0.44444444444444 0.85871522923824 167.259 > 55 68 Er 0.55555555555556 0.44444444444444 0.85871522923824 167.259 > 55 69 Er 0.88888888888889 0.44444444444444 0.85871522923824 167.259 > 55 70 Er 0.22222222222222 0.77777777777778 0.85871522923824 167.259 > 55 71 Er 0.55555555555556 0.77777777777778 0.85871522923824 167.259 > 55 72 Er 0.88888888888889 0.77777777777778 0.85871522923824 167.259 > 55 73 Er 0.11111111111111 0.22222222222222 0.14128477076176 167.259 > 73 74 Er 0.44444444444444 0.22222222222222 0.14128477076176 167.259 > 73 75 Er 0.77777777777778 0.22222222222222 0.14128477076176 167.259 > 73 76 Er 0.11111111111111 0.55555555555556 0.14128477076176 167.259 > 73 77 Er 0.44444444444444 0.55555555555556 0.14128477076176 167.259 > 73 78 Er 0.77777777777778 0.55555555555556 0.14128477076176 167.259 > 73 79 Er 0.11111111111111 0.88888888888889 0.14128477076176 167.259 > 73 80 Er 0.44444444444444 0.88888888888889 0.14128477076176 167.259 > 73 81 Er 0.77777777777778 0.88888888888889 0.14128477076176 167.259 > 73 82 Er 0.11111111111111 0.22222222222222 0.64128477076176 167.259 > 73 83 Er 0.44444444444444 0.22222222222222 0.64128477076176 167.259 > 73 84 Er 0.77777777777778 0.22222222222222 0.64128477076176 167.259 > 73 85 Er 0.11111111111111 0.55555555555556 0.64128477076176 167.259 > 73 86 Er 0.44444444444444 0.55555555555556 0.64128477076176 167.259 > 73 87 Er 0.77777777777778 0.55555555555556 0.64128477076176 167.259 > 73 88 Er 0.11111111111111 0.88888888888889 0.64128477076176 167.259 > 73 89 Er 0.44444444444444 0.88888888888889 0.64128477076176 167.259 > 73 90 Er 0.77777777777778 0.88888888888889 0.64128477076176 167.259 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2948360 -0.0000000 0.0000000 0.0000000 5.2948360 0.0000000 0.0000000 0.0000000 5.1572526-------------------------- Born effective charges -------------------------- 1 O -2.6285108 0.0000000 0.0000000 0.0000000 -2.6285108 0.0000000 0.0000000 0.0000000 -2.7192924 2 O -2.6285108 0.0000000 0.0000000 0.0000000 -2.6285108 0.0000000 0.0000000 0.0000000 -2.7192924 3 S -2.1684307 0.0000000 0.0000000 0.0000000 -2.1684307 0.0000000 0.0000000 0.0000000 -2.2324518 4 Er 3.7127262 -0.0000000 0.0000000 0.0000000 3.7127262 0.0000000 0.0000000 0.0000000 3.8355183 5 Er 3.7127262 -0.0000000 0.0000000 0.0000000 3.7127262 0.0000000 0.0000000 0.0000000 3.8355183----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 16 16 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.97, Number of G-points: 301, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/213) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 213Calculating 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 3.206 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/213) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 20.648 11.921 1.868) 23.915 0.634 ( 27.745 16.018 -0.310) 32.038 0.997 ( 44.114 25.469 -0.681) 50.943 3.224 ( 1.600 0.924 -0.477) 1.909 3.312 ( 9.206 5.315 0.474) 10.640 5.686 ( -4.318 -2.493 -0.113) 4.987 6.268 ( 1.517 0.876 -0.122) 1.756 7.323 ( 2.343 1.353 0.138) 2.709 7.635 ( 0.763 0.440 -2.235) 2.402 11.654 ( -2.349 -1.356 -0.982) 2.885 12.874 ( -26.804 -15.475 4.581) 31.288 13.773 ( -0.664 -0.383 0.936) 1.210 14.134 ( 8.153 4.707 -34.722) 35.975 14.217 ( 3.210 1.853 21.795) 22.108 15.845 ( 5.003 2.888 8.704) 10.447======================= Grid point 2 (3/213) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( 20.969 12.106 1.725) 24.274 1.234 ( 25.566 14.761 -0.603) 29.528 1.968 ( 42.229 24.381 -0.100) 48.762 3.277 ( 3.000 1.732 -1.050) 3.620 3.599 ( 15.827 9.137 0.940) 18.299 5.548 ( -7.739 -4.468 -0.914) 8.983 6.319 ( 3.032 1.751 -0.229) 3.508 7.394 ( 3.802 2.195 0.500) 4.419 7.658 ( 1.188 0.686 -4.868) 5.057 11.570 ( -5.266 -3.040 -1.598) 6.287 12.274 ( -25.783 -14.886 2.193) 29.852 13.758 ( -0.463 -0.267 1.583) 1.670 13.874 ( -16.186 -9.345 -10.681) 21.527 14.611 ( 16.970 9.798 -3.535) 19.912 15.978 ( 6.307 3.641 13.089) 14.978======================= Grid point 3 (4/213) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 20.836 12.029 1.791) 24.125 1.774 ( 22.522 13.003 -0.874) 26.021 2.873 ( 37.952 21.911 2.002) 43.869 3.356 ( 4.016 2.318 -1.772) 4.964 3.996 ( 19.024 10.984 0.999) 21.990 5.353 ( -9.278 -5.357 -3.173) 11.173 6.402 ( 4.383 2.531 -0.318) 5.071 7.482 ( 3.820 2.205 0.814) 4.485 7.686 ( 1.385 0.800 -7.626) 7.792 11.414 ( -8.701 -5.024 -1.624) 10.178 11.747 ( -20.725 -11.966 0.372) 23.934 13.474 ( -19.140 -11.051 -7.359) 23.295 13.760 ( 0.854 0.493 1.745) 2.005 14.928 ( 11.390 6.576 -4.967) 14.059 16.109 ( 5.127 2.960 14.293) 15.470======================= Grid point 4 (5/213) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 19.612 11.323 2.170) 22.750 2.242 ( 19.264 11.122 -0.816) 22.259 3.453 ( 4.504 2.600 -2.566) 5.799 3.628 ( 27.762 16.028 7.640) 32.955 4.436 ( 20.207 11.667 -0.723) 23.345 5.162 ( -6.712 -3.875 -7.542) 10.814 6.512 ( 5.246 3.029 -0.398) 6.071 7.550 ( 1.941 1.121 -1.138) 2.514 7.725 ( 2.236 1.291 -7.819) 8.235 11.183 ( -11.661 -6.732 -1.156) 13.514 11.359 ( -13.749 -7.938 -0.390) 15.881 13.030 ( -20.133 -11.624 -4.407) 23.662 13.799 ( 2.604 1.503 1.475) 3.349 15.128 ( 6.693 3.864 -5.201) 9.316 16.202 ( 3.070 1.772 13.936) 14.380======================= Grid point 5 (6/213) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 16.855 9.731 2.638) 19.640 2.640 ( 16.327 9.427 -0.215) 18.854 3.553 ( 4.364 2.520 -3.141) 5.938 4.029 ( 6.833 3.945 13.134) 15.322 4.907 ( 21.466 12.394 -3.000) 24.968 5.111 ( 3.225 1.862 -11.462) 12.052 6.632 ( 5.292 3.055 -0.460) 6.128 7.566 ( -0.404 -0.233 -5.485) 5.504 7.787 ( 3.168 1.829 -4.332) 5.670 10.905 ( -12.742 -7.357 -0.550) 14.723 11.133 ( -6.529 -3.770 -0.470) 7.554 12.582 ( -19.660 -11.350 -1.887) 22.779 13.872 ( 3.715 2.145 1.026) 4.411 15.240 ( 3.483 2.011 -5.091) 6.488 16.248 ( 1.168 0.674 12.479) 12.552======================= Grid point 6 (7/213) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( 12.436 7.180 2.674) 14.607 2.979 ( 13.999 8.083 0.750) 16.183 3.643 ( 3.530 2.038 -3.055) 5.094 3.996 ( -7.134 -4.119 8.248) 11.657 5.234 ( 8.039 4.641 -2.346) 9.575 5.389 ( 18.193 10.504 -7.885) 22.439 6.742 ( 4.349 2.511 -0.447) 5.042 7.544 ( -1.283 -0.741 -6.681) 6.843 7.857 ( 2.870 1.657 -1.825) 3.783 10.633 ( -11.010 -6.357 -0.121) 12.714 11.059 ( -0.309 -0.178 -0.500) 0.614 12.161 ( -17.554 -10.135 -0.113) 20.270 13.956 ( 3.553 2.051 0.609) 4.147 15.294 ( 1.596 0.922 -4.322) 4.699 16.260 ( 0.015 0.009 9.676) 9.676======================= Grid point 7 (8/213) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( 6.613 3.818 1.769) 7.838 3.273 ( 12.372 7.143 1.335) 14.348 3.706 ( 2.005 1.158 -1.950) 3.027 3.788 ( -10.556 -6.094 2.662) 12.476 5.383 ( 4.830 2.789 -1.187) 5.702 5.717 ( 10.280 5.935 -3.459) 12.365 6.820 ( 2.474 1.428 -0.290) 2.872 7.517 ( -0.963 -0.556 -4.297) 4.439 7.910 ( 1.688 0.975 -0.656) 2.057 10.433 ( -6.428 -3.711 0.032) 7.423 11.102 ( 3.534 2.040 -0.600) 4.125 11.814 ( -12.646 -7.301 0.659) 14.617 14.022 ( 2.146 1.239 0.278) 2.493 15.318 ( 0.590 0.341 -2.553) 2.643 16.255 ( -0.272 -0.157 5.364) 5.374======================= Grid point 8 (9/213) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 298Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.887 ( 0.000 0.000 -0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.552 ( -0.000 -0.000 -0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 -0.000) 0.000 7.506 ( 0.000 0.000 -0.000) 0.000 7.929 ( 0.000 0.000 -0.000) 0.000 10.359 ( 0.000 0.000 -0.000) 0.000 11.161 ( 0.000 0.000 -0.000) 0.000 11.653 ( 0.000 0.000 0.000) 0.000 14.047 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 -0.000) 0.000 16.252 ( 0.000 0.000 0.000) 0.000======================= Grid point 18 (10/213) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.808 ( 12.352 21.394 0.000) 24.703 1.078 ( 15.150 26.241 0.000) 30.300 1.709 ( 24.645 42.686 0.000) 49.290 3.264 ( 1.777 3.078 0.000) 3.554 3.504 ( 8.105 14.039 0.000) 16.211 5.592 ( -4.018 -6.960 0.000) 8.037 6.302 ( 1.543 2.672 0.000) 3.086 7.371 ( 1.995 3.456 0.000) 3.991 7.650 ( 0.610 1.057 0.000) 1.220 11.602 ( -2.368 -4.102 0.000) 4.737 12.441 ( -15.114 -26.178 0.000) 30.227 13.673 ( -4.264 -7.385 0.000) 8.527 14.030 ( -5.612 -9.721 0.000) 11.224 14.529 ( 11.692 20.250 0.000) 23.383 15.930 ( 3.107 5.381 0.000) 6.213======================= Grid point 19 (11/213) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 15.517 19.700 0.918) 25.095 1.589 ( 17.881 20.550 -0.432) 27.243 2.558 ( 30.324 34.286 0.536) 45.776 3.340 ( 2.608 4.717 -0.844) 5.456 3.836 ( 14.006 14.815 0.615) 20.397 5.425 ( -6.839 -7.911 -1.163) 10.521 6.371 ( 2.987 3.654 -0.154) 4.722 7.449 ( 3.089 3.298 0.408) 4.537 7.673 ( 0.975 0.855 -3.616) 3.841 11.488 ( -5.796 -5.537 -0.917) 8.067 11.933 ( -17.784 -19.049 0.506) 26.065 13.471 ( -5.682 -18.959 -2.787) 19.987 13.866 ( -6.491 0.037 -0.668) 6.525 14.881 ( 8.634 15.879 -3.138) 18.345 16.038 ( 4.897 2.298 8.020) 9.674======================= Grid point 20 (12/213) =======================q-point: ( 0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 15.987 18.407 1.423) 24.422 2.064 ( 17.130 16.185 -0.670) 23.577 3.341 ( 24.862 22.167 2.847) 33.431 3.451 ( 5.771 10.180 -0.824) 11.731 4.241 ( 17.112 13.816 0.184) 21.994 5.229 ( -7.091 -6.990 -4.161) 10.792 6.471 ( 4.058 4.553 -0.270) 6.105 7.527 ( 2.618 2.300 0.164) 3.489 7.700 ( 1.556 0.577 -6.285) 6.501 11.299 ( -9.363 -6.963 -1.053) 11.715 11.503 ( -14.635 -12.552 -0.150) 19.281 13.127 ( -11.156 -20.894 -3.639) 23.963 13.819 ( -1.519 3.141 0.886) 3.600 15.122 ( 3.985 12.126 -4.850) 13.655 16.130 ( 5.070 -0.870 11.449) 12.552======================= Grid point 21 (13/213) =======================q-point: ( 0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.130 ( 14.586 16.669 1.955) 22.236 2.478 ( 15.398 12.747 -0.455) 19.995 3.533 ( 3.031 5.392 -2.515) 6.678 3.942 ( 13.815 15.532 10.873) 23.459 4.678 ( 19.865 12.938 -3.138) 23.914 5.097 ( -1.456 -2.187 -8.482) 8.879 6.591 ( 4.402 5.124 -0.364) 6.765 7.569 ( 0.384 0.768 -3.131) 3.246 7.744 ( 3.058 0.564 -5.021) 5.905 11.050 ( -11.910 -6.847 -0.731) 13.758 11.204 ( -8.889 -7.913 -0.364) 11.906 12.717 ( -13.978 -19.114 -2.300) 23.791 13.859 ( 1.682 4.059 1.068) 4.521 15.258 ( 0.539 8.738 -5.511) 10.345 16.189 ( 4.190 -3.005 12.141) 13.191======================= Grid point 22 (14/213) =======================q-point: ( 0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.500 ( 11.345 14.097 2.337) 18.245 2.831 ( 13.628 10.045 0.220) 16.932 3.626 ( 2.256 4.125 -2.782) 5.463 4.094 ( -4.513 3.701 10.914) 12.377 5.142 ( 14.590 10.479 0.576) 17.973 5.171 ( 12.969 4.937 -12.973) 18.997 6.712 ( 3.785 5.155 -0.414) 6.408 7.561 ( -1.259 -0.210 -6.160) 6.291 7.808 ( 3.810 0.239 -2.217) 4.414 10.776 ( -12.667 -5.921 -0.285) 13.986 11.056 ( -2.001 -4.090 -0.397) 4.571 12.301 ( -14.364 -16.668 -0.681) 22.013 13.942 ( 2.568 4.924 0.826) 5.615 15.320 ( -1.181 5.716 -5.259) 7.857 16.215 ( 3.041 -3.888 10.769) 11.846======================= Grid point 23 (15/213) =======================q-point: ( 0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 6.479 10.693 2.112) 12.680 3.134 ( 12.167 7.604 0.865) 14.374 3.676 ( 0.714 -0.309 -1.700) 1.869 3.978 ( -10.984 4.189 4.522) 12.595 5.320 ( 6.423 3.882 -2.267) 7.840 5.558 ( 15.516 6.589 -4.670) 17.492 6.811 ( 2.180 4.566 -0.354) 5.072 7.533 ( -1.458 -0.431 -5.501) 5.707 7.868 ( 3.305 -0.473 -0.806) 3.434 10.534 ( -9.756 -3.874 -0.030) 10.497 11.045 ( 3.295 -1.316 -0.518) 3.586 11.926 ( -12.245 -13.439 0.416) 18.185 14.028 ( 1.398 5.357 0.513) 5.560 15.339 ( -1.492 3.267 -3.880) 5.287 16.221 ( 2.207 -3.830 7.477) 8.686======================= Grid point 24 (16/213) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.918 ( 0.427 6.870 0.894) 6.941 3.386 ( 10.850 3.834 0.744) 11.532 3.609 ( -4.898 -5.876 -0.063) 7.649 3.880 ( -8.636 10.895 0.206) 13.904 5.422 ( 2.537 1.157 -0.629) 2.859 5.781 ( 6.493 0.580 -1.532) 6.696 6.867 ( -0.208 3.410 -0.143) 3.419 7.511 ( -0.666 -0.119 -2.145) 2.249 7.904 ( 1.956 -1.415 -0.201) 2.423 10.392 ( -4.139 -0.529 0.017) 4.173 11.112 ( 4.566 -1.222 -0.413) 4.745 11.661 ( -5.212 -7.932 0.491) 9.503 14.082 ( -1.077 4.874 0.177) 4.995 15.341 ( -1.127 1.885 -1.441) 2.627 16.219 ( 1.909 -3.462 2.684) 4.779======================= Grid point 35 (17/213) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 12.732 22.052 0.000) 25.464 1.996 ( 11.982 20.753 0.000) 23.963 3.231 ( 18.633 32.274 0.000) 37.267 3.461 ( 5.132 8.889 0.000) 10.264 4.158 ( 10.321 17.876 0.000) 20.642 5.256 ( -5.236 -9.068 0.000) 10.471 6.460 ( 3.127 5.416 0.000) 6.254 7.515 ( 1.909 3.306 0.000) 3.818 7.689 ( 0.464 0.804 0.000) 0.928 11.346 ( -5.354 -9.274 0.000) 10.709 11.574 ( -9.915 -17.173 0.000) 19.830 13.098 ( -11.203 -19.405 0.000) 22.407 13.857 ( -0.126 -0.218 0.000) 0.251 15.165 ( 7.281 12.612 0.000) 14.563 16.069 ( 0.582 1.008 0.000) 1.164======================= Grid point 36 (18/213) =======================q-point: ( 0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( 12.891 20.636 0.675) 24.340 2.382 ( 12.391 16.272 -0.228) 20.454 3.536 ( 3.710 6.343 -0.835) 7.396 3.892 ( 15.576 25.187 4.205) 29.911 4.518 ( 13.895 14.319 -1.469) 20.006 5.105 ( -3.203 -4.812 -3.062) 6.542 6.578 ( 3.941 6.301 -0.137) 7.433 7.568 ( 1.124 1.744 -0.756) 2.208 7.708 ( 1.378 0.305 -2.445) 2.823 11.140 ( -7.675 -9.044 -0.358) 11.867 11.276 ( -9.542 -10.907 -0.145) 14.492 12.716 ( -10.852 -20.973 -1.002) 23.636 13.877 ( 1.013 3.256 0.462) 3.441 15.356 ( 1.539 11.215 -3.547) 11.863 16.082 ( 2.767 -3.754 6.210) 7.766======================= Grid point 37 (19/213) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( 10.773 18.448 1.243) 21.399 2.726 ( 11.775 12.708 -0.077) 17.325 3.633 ( 1.904 3.875 -1.493) 4.568 4.217 ( -0.148 12.987 10.036) 16.414 4.917 ( 18.976 10.435 -7.464) 22.906 5.106 ( 4.279 4.159 -3.394) 6.865 6.708 ( 3.770 6.779 -0.243) 7.760 7.579 ( -0.792 0.258 -3.769) 3.860 7.747 ( 3.051 -0.133 -1.485) 3.396 10.917 ( -10.332 -7.013 -0.318) 12.491 11.056 ( -4.882 -7.128 -0.193) 8.641 12.330 ( -11.125 -20.045 -0.647) 22.934 13.953 ( 2.583 5.745 0.713) 6.340 15.439 ( -3.245 9.254 -5.790) 11.388 16.093 ( 4.559 -6.589 9.256) 12.242======================= Grid point 38 (20/213) =======================q-point: ( 0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.791 ( 6.853 15.237 1.731) 16.797 3.024 ( 10.605 9.792 0.029) 14.434 3.667 ( 0.072 -0.612 -0.978) 1.156 4.223 ( -9.331 10.397 6.291) 15.321 5.236 ( 9.079 3.269 -6.281) 11.514 5.352 ( 15.716 8.796 -1.838) 18.104 6.828 ( 2.515 6.674 -0.282) 7.138 7.555 ( -1.632 -0.631 -4.997) 5.294 7.801 ( 3.604 -0.757 -0.333) 3.697 10.670 ( -10.905 -5.216 -0.113) 12.089 10.979 ( 1.302 -3.623 -0.321) 3.863 11.964 ( -10.377 -17.517 0.104) 20.361 14.062 ( 2.350 7.500 0.701) 7.890 15.440 ( -4.981 6.181 -5.505) 9.660 16.107 ( 4.868 -6.923 8.427) 11.943======================= Grid point 39 (21/213) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.995 ( 1.639 11.759 1.597) 11.980 3.266 ( 8.782 5.829 -0.331) 10.546 3.622 ( -2.432 -4.039 0.142) 4.717 4.170 ( -10.525 14.254 1.868) 17.817 5.377 ( 4.722 1.968 -1.910) 5.461 5.637 ( 11.177 1.440 -1.939) 11.435 6.914 ( 0.267 5.943 -0.194) 5.952 7.522 ( -1.097 -0.926 -3.311) 3.609 7.846 ( 2.905 -1.544 -0.019) 3.290 10.477 ( -7.069 -2.134 -0.019) 7.384 11.010 ( 4.913 -2.067 -0.432) 5.348 11.661 ( -6.892 -13.436 0.518) 15.109 14.161 ( -0.165 8.092 0.465) 8.107 15.408 ( -3.979 3.655 -3.224) 6.291 16.120 ( 4.214 -6.314 4.814) 8.989======================= Grid point 40 (22/213) =======================q-point: ( 0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( -4.732 8.197 -0.000) 9.465 3.396 ( 1.469 -2.544 0.000) 2.938 3.552 ( 0.057 -0.099 0.000) 0.114 4.151 ( -9.434 16.341 0.000) 18.869 5.427 ( 0.364 -0.630 -0.000) 0.728 5.740 ( 2.729 -4.727 -0.000) 5.459 6.946 ( -2.622 4.541 -0.000) 5.244 7.507 ( 0.271 -0.469 -0.000) 0.542 7.863 ( 1.432 -2.480 0.000) 2.864 10.406 ( -0.958 1.659 0.000) 1.916 11.057 ( 2.356 -4.081 0.000) 4.713 11.522 ( 3.635 -6.296 -0.000) 7.270 14.201 ( -3.963 6.865 -0.000) 7.927 15.391 ( -1.949 3.375 0.000) 3.897 16.125 ( 3.555 -6.157 0.000) 7.109======================= Grid point 53 (23/213) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( 11.224 19.440 0.000) 22.447 2.688 ( 8.760 15.172 0.000) 17.519 3.635 ( 1.979 3.427 0.000) 3.957 4.302 ( 8.719 15.101 0.000) 17.437 4.785 ( 7.786 13.485 0.000) 15.571 5.091 ( 2.628 4.553 0.000) 5.257 6.710 ( 4.127 7.149 0.000) 8.255 7.588 ( 0.113 0.196 0.000) 0.226 7.718 ( 0.521 0.903 0.000) 1.042 10.966 ( -5.140 -8.902 0.000) 10.279 11.072 ( -5.606 -9.711 0.000) 11.213 12.320 ( -11.396 -19.738 0.000) 22.792 13.960 ( 3.139 5.436 0.000) 6.277 15.536 ( 3.963 6.864 0.000) 7.926 15.999 ( -2.453 -4.248 0.000) 4.905======================= Grid point 54 (24/213) =======================q-point: ( 0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.819 ( 8.294 15.959 0.759) 18.002 2.972 ( 8.766 12.835 -0.258) 15.545 3.659 ( -0.310 -1.164 -0.236) 1.228 4.460 ( -3.552 12.059 4.717) 13.427 5.058 ( 12.880 5.411 -5.749) 15.107 5.263 ( 7.401 9.887 0.335) 12.354 6.847 ( 3.544 7.339 -0.104) 8.150 7.571 ( -1.356 -1.318 -2.201) 2.902 7.748 ( 2.119 0.484 0.109) 2.177 10.772 ( -8.088 -8.028 -0.072) 11.396 10.940 ( -1.434 -4.467 -0.104) 4.692 11.954 ( -9.918 -18.486 -0.006) 20.979 14.086 ( 3.866 7.914 0.355) 8.815 15.603 ( -4.582 7.446 -5.136) 10.140 15.944 ( 3.896 -8.399 6.236) 11.163======================= Grid point 55 (25/213) =======================q-point: ( 0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.063 ( 4.817 11.989 2.059) 13.084 3.216 ( 6.164 10.215 -1.744) 12.058 3.614 ( -1.467 -4.149 0.453) 4.424 4.485 ( -8.523 15.584 3.074) 18.027 5.283 ( 9.302 1.546 -4.256) 10.345 5.477 ( 8.971 3.852 -0.013) 9.763 6.963 ( 1.736 7.106 -0.120) 7.316 7.527 ( -1.431 -2.509 -2.608) 3.892 7.790 ( 2.436 -0.029 0.233) 2.447 10.570 ( -7.457 -4.991 -0.047) 8.974 10.924 ( 2.722 -1.751 -0.244) 3.246 11.637 ( -7.532 -15.876 0.293) 17.574 14.228 ( 2.515 9.266 0.496) 9.614 15.549 ( -7.601 4.811 -4.959) 10.272 15.959 ( 6.421 -8.057 5.946) 11.896======================= Grid point 56 (26/213) =======================q-point: ( 0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.212 ( -0.439 10.158 2.125) 10.387 3.350 ( 1.957 2.489 -2.863) 4.269 3.557 ( -0.859 -2.049 1.181) 2.516 4.488 ( -10.160 17.682 0.889) 20.413 5.397 ( 3.286 0.145 -1.293) 3.534 5.611 ( 6.597 -4.162 -0.201) 7.803 7.034 ( -1.301 6.242 -0.041) 6.376 7.487 ( 0.205 -2.821 -1.113) 3.039 7.821 ( 1.467 -0.800 0.089) 1.673 10.447 ( -3.264 -1.122 -0.018) 3.451 10.974 ( 3.733 -1.378 -0.222) 3.986 11.417 ( -1.466 -11.377 0.279) 11.475 14.328 ( -1.603 8.620 0.258) 8.771 15.480 ( -4.710 3.806 -1.795) 6.316 15.983 ( 5.235 -7.593 2.135) 9.467======================= Grid point 70 (27/213) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 6.067 10.508 0.000) 12.134 3.226 ( 7.263 12.579 0.000) 14.525 3.603 ( -2.369 -4.104 0.000) 4.738 4.670 ( 5.182 8.975 0.000) 10.364 5.168 ( 3.618 6.266 0.000) 7.235 5.427 ( 3.617 6.266 0.000) 7.235 6.985 ( 3.854 6.676 0.000) 7.708 7.525 ( -1.901 -3.293 0.000) 3.802 7.769 ( 0.936 1.622 0.000) 1.873 10.612 ( -4.606 -7.978 0.000) 9.212 10.892 ( -0.235 -0.407 0.000) 0.470 11.620 ( -9.048 -15.671 0.000) 18.095 14.252 ( 5.079 8.797 0.000) 10.158 15.714 ( 1.346 2.331 0.000) 2.692 15.788 ( -3.308 -5.730 0.000) 6.616======================= Grid point 71 (28/213) =======================q-point: ( 0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.245 ( 4.448 7.068 1.516) 8.488 3.410 ( -0.014 8.643 -3.254) 9.236 3.530 ( 0.269 -3.821 1.948) 4.298 4.794 ( -4.552 15.401 1.269) 16.110 5.299 ( 7.606 0.394 -2.073) 7.893 5.495 ( 2.136 -2.006 0.506) 2.974 7.098 ( 1.613 6.700 0.003) 6.892 7.455 ( -1.302 -4.653 -0.639) 4.874 7.801 ( 1.048 0.937 0.061) 1.408 10.482 ( -3.489 -3.888 -0.017) 5.225 10.919 ( 2.526 1.385 -0.118) 2.883 11.355 ( -5.435 -12.934 0.153) 14.031 14.406 ( 2.471 8.504 0.189) 8.858 15.623 ( -8.137 2.735 -3.060) 9.114 15.809 ( 6.681 -6.897 3.195) 10.120======================= Grid point 72 (29/213) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.360 ( -0.330 0.572 -0.000) 0.661 3.378 ( -2.939 5.091 0.000) 5.879 3.547 ( -0.256 0.444 0.000) 0.513 4.828 ( -9.487 16.431 0.000) 18.973 5.386 ( 0.850 -1.471 -0.000) 1.699 5.485 ( 4.535 -7.854 0.000) 9.069 7.150 ( -3.167 5.485 0.000) 6.334 7.415 ( 2.447 -4.239 -0.000) 4.895 7.815 ( -0.050 0.087 0.000) 0.100 10.432 ( 0.250 -0.434 0.000) 0.501 10.965 ( -0.319 0.552 0.000) 0.638 11.228 ( 4.491 -7.779 -0.000) 8.983 14.473 ( -3.307 5.729 -0.000) 6.615 15.563 ( -2.818 4.881 0.000) 5.636 15.832 ( 4.459 -7.724 0.000) 8.918======================= Grid point 88 (30/213) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.354 ( 2.558 4.431 0.000) 5.117 3.438 ( -1.988 -3.443 0.000) 3.976 3.553 ( 1.895 3.282 0.000) 3.790 5.042 ( 4.916 8.514 0.000) 9.831 5.316 ( 1.295 2.243 0.000) 2.590 5.410 ( -3.514 -6.087 0.000) 7.029 7.220 ( 3.190 5.525 0.000) 6.379 7.357 ( -2.914 -5.047 0.000) 5.828 7.817 ( 0.307 0.532 0.000) 0.614 10.428 ( -0.852 -1.476 0.000) 1.704 10.980 ( 2.652 4.593 0.000) 5.303 11.142 ( -4.971 -8.609 0.000) 9.941 14.531 ( 2.131 3.690 0.000) 4.261 15.651 ( 0.115 0.200 0.000) 0.230 15.714 ( -1.320 -2.287 0.000) 2.641======================= Grid point 271 (31/213) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 0.000 0.000 31.053) 31.053 0.614 ( 0.000 -0.000 31.053) 31.053 0.978 ( -0.000 0.000 49.935) 49.935 3.158 ( 0.000 0.000 -4.976) 4.976 3.158 ( 0.000 -0.000 -4.976) 4.976 5.614 ( 0.000 -0.000 -12.363) 12.363 6.247 ( 0.000 0.000 -0.337) 0.337 6.247 ( 0.000 -0.000 -0.337) 0.337 9.994 ( 0.000 0.000 1.744) 1.744 11.704 ( 0.000 0.000 2.430) 2.430 11.704 ( 0.000 -0.000 2.430) 2.430 13.763 ( 0.000 0.000 -1.739) 1.739 13.763 ( 0.000 -0.000 -1.739) 1.739 14.301 ( 0.000 0.000 -0.498) 0.498 16.593 ( -0.000 0.000 0.491) 0.491======================= Grid point 272 (32/213) =======================q-point: ( 0.06 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( 17.088 9.866 17.879) 26.627 0.786 ( 12.696 7.330 25.075) 29.046 1.447 ( 31.384 18.120 34.763) 50.217 3.168 ( 1.286 0.743 -5.289) 5.494 3.275 ( 9.848 5.686 -4.239) 12.136 5.563 ( -4.081 -2.356 -11.874) 12.775 6.262 ( 1.397 0.807 -0.456) 1.676 6.583 ( 20.226 11.678 -19.512) 30.434 8.732 ( -49.392 -28.516 41.787) 70.703 11.659 ( -3.228 -1.864 1.453) 4.000 12.558 ( 14.362 8.292 -20.178) 26.118 13.660 ( -4.625 -2.670 -9.739) 11.107 13.773 ( 0.125 0.072 -0.882) 0.894 14.418 ( 8.877 5.125 2.850) 10.639 16.286 ( -10.507 -6.066 17.351) 21.172======================= Grid point 273 (33/213) =======================q-point: ( 0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 17.249 9.959 17.339) 26.408 1.230 ( 24.341 14.053 3.979) 28.387 2.213 ( 35.723 20.625 21.148) 46.355 3.214 ( 2.705 1.562 -5.394) 6.233 3.579 ( 16.700 9.642 -2.790) 19.484 5.434 ( -7.353 -4.245 -10.355) 13.391 6.310 ( 2.898 1.673 -0.630) 3.405 6.977 ( 14.751 8.516 -21.122) 27.134 8.019 ( -19.617 -11.326 20.092) 30.278 11.558 ( -5.851 -3.378 0.387) 6.767 12.343 ( -21.917 -12.654 5.368) 25.870 13.529 ( -9.392 -5.423 -18.757) 21.667 13.774 ( 0.082 0.047 -0.005) 0.095 14.677 ( 12.897 7.446 5.727) 15.955 16.244 ( 3.499 2.020 11.534) 12.222======================= Grid point 274 (34/213) =======================q-point: ( 0.19 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 18.765 10.834 11.991) 24.765 1.760 ( 22.448 12.961 0.968) 25.939 3.015 ( 35.205 20.326 10.530) 41.993 3.287 ( 3.754 2.168 -5.288) 6.838 3.995 ( 19.719 11.385 -0.639) 22.779 5.241 ( -9.631 -5.561 -7.950) 13.670 6.391 ( 4.237 2.446 -0.849) 4.966 7.259 ( 10.740 6.201 -15.853) 20.128 7.709 ( -9.561 -5.520 3.653) 11.628 11.394 ( -8.774 -5.066 -0.326) 10.137 11.828 ( -21.975 -12.687 7.780) 26.540 13.250 ( -14.649 -8.457 -13.765) 21.808 13.784 ( 0.998 0.576 0.599) 1.298 14.937 ( 9.747 5.627 4.160) 11.999 16.345 ( 4.460 2.575 9.059) 10.420======================= Grid point 275 (35/213) =======================q-point: ( 0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 18.244 10.533 8.113) 22.574 2.229 ( 19.327 11.159 0.211) 22.318 3.379 ( 4.461 2.576 -4.829) 7.061 3.754 ( 29.248 16.887 2.911) 33.898 4.436 ( 18.986 10.961 1.838) 22.000 5.030 ( -7.864 -4.540 -5.318) 10.523 6.496 ( 5.096 2.942 -1.097) 5.986 7.453 ( 5.027 2.902 -9.261) 10.930 7.566 ( -1.994 -1.151 -6.645) 7.033 11.167 ( -11.297 -6.522 -0.428) 13.051 11.404 ( -15.346 -8.860 4.938) 18.395 12.895 ( -16.685 -9.633 -8.619) 21.106 13.822 ( 2.411 1.392 0.778) 2.891 15.109 ( 5.699 3.290 2.367) 6.993 16.422 ( 2.184 1.261 8.120) 8.503======================= Grid point 276 (36/213) =======================q-point: ( 0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 15.501 8.949 4.691) 18.503 2.630 ( 16.556 9.559 -0.340) 19.120 3.485 ( 4.910 2.835 -3.651) 6.744 4.185 ( 5.142 2.968 -1.451) 6.112 4.827 ( 16.346 9.438 -0.338) 18.878 5.019 ( 9.939 5.738 1.118) 11.531 6.613 ( 5.175 2.988 -1.337) 6.124 7.443 ( -1.695 -0.979 -6.205) 6.506 7.656 ( 5.826 3.363 -8.792) 11.071 10.899 ( -12.226 -7.059 -0.006) 14.117 11.145 ( -7.825 -4.518 1.746) 9.203 12.513 ( -17.215 -9.939 -4.771) 20.443 13.889 ( 3.390 1.957 0.617) 3.963 15.204 ( 3.070 1.772 1.053) 3.698 16.440 ( -0.512 -0.296 6.798) 6.823======================= Grid point 277 (37/213) =======================q-point: ( 0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( 10.614 6.128 1.067) 12.302 2.974 ( 14.217 8.208 -0.934) 16.443 3.597 ( 4.943 2.854 -1.454) 5.890 4.067 ( -11.020 -6.362 -2.217) 12.916 5.160 ( 12.159 7.020 -2.833) 14.323 5.379 ( 18.338 10.587 5.520) 21.883 6.722 ( 4.333 2.502 -1.508) 5.226 7.432 ( 0.783 0.452 -4.121) 4.219 7.771 ( 4.275 2.468 -6.827) 8.425 10.638 ( -10.603 -6.122 0.617) 12.259 11.046 ( -1.274 -0.735 -0.729) 1.641 12.135 ( -16.207 -9.357 -2.433) 18.872 13.966 ( 3.245 1.873 0.321) 3.760 15.259 ( 2.017 1.165 0.527) 2.388 16.403 ( -2.724 -1.573 4.617) 5.587======================= Grid point 278 (38/213) =======================q-point: ( 0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 4.569 2.638 -2.367) 5.783 3.266 ( 11.629 6.714 -2.279) 13.620 3.699 ( 3.917 2.261 1.193) 4.677 3.793 ( -12.526 -7.232 -1.865) 14.584 5.366 ( 6.301 3.638 -0.694) 7.308 5.733 ( 12.156 7.018 5.183) 14.963 6.801 ( 2.608 1.506 -1.539) 3.382 7.474 ( 2.793 1.612 0.170) 3.229 7.846 ( 2.442 1.410 -5.654) 6.319 10.445 ( -6.258 -3.613 1.109) 7.310 11.073 ( 3.157 1.823 -2.179) 4.247 11.806 ( -12.426 -7.174 -1.514) 14.428 14.025 ( 1.896 1.094 0.037) 2.189 15.302 ( 1.945 1.123 0.927) 2.430 16.325 ( -4.024 -2.323 1.559) 4.901======================= Grid point 279 (39/213) =======================q-point: (-0.50 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( -1.388 -0.801 -4.382) 4.666 3.431 ( -3.557 -2.053 -9.114) 9.997 3.586 ( 0.765 0.442 3.250) 3.368 3.762 ( 1.522 0.879 3.020) 3.494 5.445 ( 0.774 0.447 0.267) 0.933 5.900 ( 2.517 1.453 6.541) 7.158 6.834 ( 0.243 0.140 -1.398) 1.426 7.547 ( 3.485 2.012 4.062) 5.717 7.880 ( 0.594 0.343 -4.767) 4.816 10.372 ( -0.049 -0.028 1.259) 1.260 11.137 ( 0.801 0.462 -2.280) 2.460 11.635 ( -0.955 -0.551 -1.818) 2.127 14.045 ( -0.209 -0.121 -0.185) 0.304 15.347 ( 2.060 1.190 2.258) 3.280 16.230 ( -4.314 -2.491 -2.150) 5.426======================= Grid point 281 (40/213) =======================q-point: (-0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.748 ( -6.766 -3.907 -4.382) 8.958 3.207 ( -11.649 -6.726 -5.748) 14.628 3.722 ( 6.365 3.675 -2.833) 7.877 3.763 ( -1.414 -0.816 3.470) 3.835 5.404 ( -4.261 -2.460 0.704) 4.971 5.847 ( -7.035 -4.062 9.105) 12.202 6.811 ( -2.244 -1.295 -1.148) 2.834 7.618 ( 2.554 1.475 5.261) 6.031 7.876 ( -0.808 -0.467 -3.515) 3.637 10.443 ( 6.314 3.645 1.075) 7.369 11.093 ( -3.091 -1.785 -1.477) 3.863 11.784 ( 12.642 7.299 -2.358) 14.787 14.016 ( -2.355 -1.360 -0.358) 2.743 15.390 ( 1.672 0.965 4.482) 4.880 16.137 ( -3.843 -2.219 -6.151) 7.585======================= Grid point 282 (41/213) =======================q-point: (-0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( -11.412 -6.589 -2.586) 13.429 2.936 ( -12.693 -7.328 -3.654) 15.105 3.702 ( -3.853 -2.225 2.749) 5.230 3.822 ( 2.043 1.179 -8.271) 8.601 5.255 ( -9.350 -5.398 0.582) 10.813 5.610 ( -12.945 -7.474 12.543) 19.513 6.737 ( -4.213 -2.432 -0.900) 4.947 7.649 ( 0.012 0.007 2.759) 2.759 7.852 ( -1.191 -0.688 -1.339) 1.920 10.642 ( 11.050 6.380 0.802) 12.785 11.062 ( 1.087 0.628 -0.207) 1.272 12.138 ( 18.159 10.484 -2.349) 21.099 13.945 ( -3.823 -2.207 -0.543) 4.448 15.415 ( 0.378 0.218 7.500) 7.512 16.059 ( -3.178 -1.835 -10.006) 10.658======================= Grid point 283 (42/213) =======================q-point: (-0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( -15.079 -8.706 0.495) 17.419 2.628 ( -15.098 -8.717 -1.377) 17.488 3.598 ( -5.283 -3.050 1.274) 6.232 3.781 ( -6.582 -3.800 -11.590) 13.859 4.947 ( -18.677 -10.783 1.987) 21.658 5.359 ( -7.445 -4.298 12.082) 14.828 6.629 ( -5.232 -3.021 -0.707) 6.082 7.615 ( -3.094 -1.786 -1.140) 3.750 7.827 ( -0.960 -0.554 0.159) 1.120 10.919 ( 13.084 7.554 0.780) 15.128 11.160 ( 7.807 4.508 2.149) 9.268 12.575 ( 20.431 11.796 -2.593) 23.734 13.853 ( -4.097 -2.366 -0.839) 4.805 15.400 ( -1.900 -1.097 11.000) 11.216 15.991 ( -3.022 -1.745 -13.097) 13.553======================= Grid point 284 (43/213) =======================q-point: (-0.25 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -17.468 -10.085 4.386) 20.642 2.250 ( -18.701 -10.797 0.468) 21.599 3.473 ( -5.624 -3.247 -0.506) 6.514 3.496 ( -19.082 -11.017 -6.322) 22.923 4.463 ( -22.977 -13.266 2.521) 26.651 5.289 ( 0.638 0.368 5.002) 5.056 6.510 ( -5.213 -3.010 -0.547) 6.045 7.508 ( -6.614 -3.818 -5.358) 9.329 7.819 ( 0.698 0.403 1.663) 1.848 11.207 ( 12.241 7.067 1.225) 14.188 11.413 ( 14.635 8.449 4.788) 17.564 13.039 ( 20.654 11.925 -3.589) 24.118 13.771 ( -3.050 -1.761 -1.325) 3.762 15.322 ( -5.344 -3.086 14.322) 15.595 15.919 ( -3.393 -1.959 -14.382) 14.906======================= Grid point 285 (44/213) =======================q-point: (-0.19 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -18.270 -10.548 9.015) 22.942 1.787 ( -22.489 -12.984 1.829) 26.032 2.940 ( -29.665 -17.127 6.833) 34.929 3.352 ( -5.029 -2.903 -2.181) 6.202 3.965 ( -20.827 -12.024 -1.373) 24.088 5.356 ( 4.599 2.656 -2.820) 6.013 6.402 ( -4.365 -2.520 -0.407) 5.057 7.313 ( -10.856 -6.268 -12.052) 17.389 7.882 ( 5.460 3.153 8.004) 10.189 11.451 ( 9.206 5.315 2.029) 10.822 11.803 ( 19.643 11.341 5.568) 23.355 13.482 ( 18.205 10.510 -6.153) 21.903 13.723 ( -1.149 -0.663 -1.925) 2.338 15.145 ( -10.889 -6.287 15.204) 19.729 15.850 ( -2.106 -1.216 -10.638) 10.913======================= Grid point 286 (45/213) =======================q-point: (-0.12 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( -16.946 -9.784 15.143) 24.742 1.255 ( -24.426 -14.102 5.235) 28.686 2.212 ( -34.208 -19.750 20.725) 44.607 3.253 ( -3.768 -2.175 -3.498) 5.582 3.546 ( -16.206 -9.357 -4.226) 19.185 5.470 ( 5.090 2.939 -8.633) 10.444 6.318 ( -3.047 -1.759 -0.309) 3.532 7.016 ( -15.793 -9.118 -19.732) 26.869 8.107 ( 16.295 9.408 21.979) 28.933 11.614 ( 5.336 3.081 2.750) 6.748 12.256 ( 19.235 11.105 0.610) 22.219 13.718 ( 0.564 0.326 -2.345) 2.434 13.811 ( 9.635 5.563 -11.973) 16.344 14.820 ( -17.828 -10.293 10.305) 23.021 15.872 ( 5.487 3.168 3.674) 7.323======================= Grid point 287 (46/213) =======================q-point: (-0.06 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -11.574 -6.682 24.188) 27.634 0.756 ( -17.076 -9.859 19.154) 27.489 1.457 ( -31.700 -18.302 34.662) 50.411 3.186 ( -2.139 -1.235 -4.406) 5.051 3.258 ( -9.049 -5.225 -5.092) 11.623 5.568 ( 3.459 1.997 -11.620) 12.287 6.266 ( -1.577 -0.910 -0.284) 1.843 6.595 ( -21.461 -12.390 -19.808) 31.724 8.756 ( 47.081 27.182 41.699) 68.515 11.694 ( 1.883 1.087 2.929) 3.648 12.478 ( -9.495 -5.482 -20.608) 23.344 13.740 ( 1.192 0.688 -2.292) 2.673 13.828 ( -7.317 -4.225 -11.645) 14.387 14.439 ( -12.377 -7.146 2.820) 14.567 16.169 ( 21.868 12.625 19.567) 31.945======================= Grid point 289 (47/213) =======================q-point: ( 0.06 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( 11.983 15.843 17.668) 26.585 1.098 ( 12.746 24.249 7.174) 28.319 2.000 ( 19.683 34.645 24.423) 46.735 3.219 ( 0.580 4.035 -4.681) 6.208 3.465 ( 9.597 13.865 -3.821) 17.290 5.488 ( -4.178 -5.152 -10.309) 12.259 6.298 ( 1.264 2.812 -0.398) 3.109 6.900 ( 8.400 17.477 -21.654) 29.067 8.185 ( -16.049 -21.607 26.677) 37.896 11.618 ( -4.623 -3.330 1.606) 5.919 12.422 ( -5.680 -19.068 -0.676) 19.907 13.594 ( -10.516 -5.552 -8.306) 14.505 13.855 ( -3.087 2.151 -8.873) 9.638 14.657 ( 5.084 18.809 6.318) 20.483 16.079 ( 10.007 -10.487 11.531) 18.522======================= Grid point 290 (48/213) =======================q-point: ( 0.12 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 14.686 16.702 13.223) 25.875 1.583 ( 17.288 20.808 1.699) 27.106 2.716 ( 27.258 29.053 13.253) 41.985 3.284 ( 1.622 5.592 -4.799) 7.546 3.823 ( 15.342 15.190 -1.585) 21.647 5.333 ( -7.627 -5.872 -8.026) 12.533 6.364 ( 2.694 3.814 -0.575) 4.704 7.179 ( 8.194 11.158 -17.121) 22.018 7.825 ( -11.070 -7.761 9.271) 16.393 11.480 ( -7.034 -5.079 0.169) 8.678 12.014 ( -16.874 -19.295 7.670) 26.755 13.325 ( -10.147 -13.477 -11.243) 20.273 13.819 ( -2.260 1.624 -2.841) 3.977 14.918 ( 4.946 15.650 5.024) 17.165 16.200 ( 11.122 -4.967 7.585) 14.349======================= Grid point 291 (49/213) =======================q-point: ( 0.19 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 15.166 16.724 9.497) 24.493 2.054 ( 16.872 16.534 0.550) 23.629 3.353 ( 6.720 7.182 -3.567) 10.463 3.470 ( 23.861 22.323 2.934) 32.807 4.248 ( 17.305 14.476 1.353) 22.603 5.132 ( -9.164 -5.157 -5.426) 11.833 6.460 ( 3.755 4.706 -0.797) 6.073 7.392 ( 6.607 6.733 -11.755) 15.072 7.629 ( -6.663 -2.318 -1.941) 7.317 11.282 ( -9.615 -6.678 -0.527) 11.718 11.566 ( -16.055 -13.459 6.488) 21.932 12.998 ( -11.372 -16.093 -8.801) 21.582 13.822 ( 0.276 2.388 -0.465) 2.448 15.110 ( 2.370 11.093 2.766) 11.676 16.320 ( 8.099 -4.494 7.397) 11.853======================= Grid point 292 (50/213) =======================q-point: ( 0.25 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 13.723 15.524 6.324) 21.664 2.468 ( 15.328 13.003 -0.020) 20.101 3.467 ( 2.750 6.069 -4.165) 7.858 4.062 ( 18.187 13.618 -2.041) 22.812 4.657 ( 15.448 11.534 3.680) 19.627 4.987 ( -1.740 1.050 -2.493) 3.217 6.576 ( 4.113 5.265 -1.053) 6.764 7.472 ( -1.917 -0.070 -6.083) 6.378 7.606 ( 3.709 4.115 -8.633) 10.258 11.037 ( -11.473 -6.821 -0.573) 13.360 11.235 ( -10.421 -8.513 3.415) 13.883 12.637 ( -12.776 -16.101 -5.424) 21.258 13.872 ( 2.118 3.552 0.282) 4.146 15.219 ( 0.195 7.346 0.980) 7.413 16.380 ( 4.650 -5.101 7.043) 9.861======================= Grid point 293 (51/213) =======================q-point: ( 0.31 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( 10.033 13.113 3.098) 16.799 2.824 ( 13.792 10.128 -0.615) 17.122 3.571 ( 2.947 5.293 -2.576) 6.583 4.200 ( -7.126 0.273 -2.645) 7.606 5.004 ( 14.839 8.269 -2.418) 17.159 5.190 ( 15.329 10.709 4.866) 19.322 6.694 ( 3.572 5.298 -1.288) 6.518 7.441 ( -1.110 0.714 -5.385) 5.544 7.719 ( 4.607 2.844 -6.782) 8.678 10.774 ( -12.023 -5.892 0.008) 13.389 11.057 ( -3.273 -4.575 0.530) 5.650 12.265 ( -13.228 -14.980 -2.830) 20.184 13.953 ( 2.450 4.710 0.353) 5.321 15.271 ( -0.527 4.690 0.044) 4.720 16.379 ( 1.540 -5.666 5.661) 8.156======================= Grid point 294 (52/213) =======================q-point: ( 0.38 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 4.498 9.807 -0.365) 10.795 3.128 ( 12.198 7.266 -1.355) 14.262 3.657 ( 2.314 1.797 0.046) 2.930 4.006 ( -13.809 1.895 -2.185) 14.108 5.274 ( 9.467 4.719 -1.815) 10.733 5.564 ( 15.753 7.816 5.103) 18.311 6.792 ( 2.122 4.736 -1.427) 5.383 7.455 ( 1.308 1.713 -2.012) 2.948 7.807 ( 3.476 1.181 -5.378) 6.511 10.541 ( -9.313 -3.974 0.639) 10.145 11.025 ( 2.478 -1.474 -1.412) 3.211 11.915 ( -11.779 -12.731 -1.473) 17.407 14.035 ( 1.103 5.247 0.148) 5.364 15.303 ( 0.039 3.093 0.128) 3.095 16.328 ( -0.806 -5.870 3.190) 6.729======================= Grid point 295 (53/213) =======================q-point: ( 0.44 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.894 ( -1.540 6.286 -3.110) 7.180 3.363 ( 8.651 2.717 -3.678) 9.785 3.625 ( -4.579 -4.419 1.898) 6.640 3.872 ( -7.769 10.440 -0.533) 13.024 5.415 ( 3.853 1.479 -0.318) 4.140 5.820 ( 8.479 1.628 5.417) 10.192 6.851 ( -0.088 3.604 -1.408) 3.870 7.511 ( 2.985 1.947 2.170) 4.173 7.857 ( 1.955 -0.251 -4.456) 4.873 10.403 ( -3.924 -0.759 0.976) 4.115 11.085 ( 4.601 -0.738 -2.127) 5.122 11.653 ( -5.770 -8.050 -1.321) 9.992 14.083 ( -1.352 4.695 -0.131) 4.888 15.339 ( 1.037 2.612 1.195) 3.054 16.245 ( -2.112 -5.740 -0.131) 6.117======================= Grid point 296 (54/213) =======================q-point: (-0.50 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.866 ( -7.153 3.319 -3.939) 8.814 3.331 ( -9.278 -5.421 -5.454) 12.051 3.622 ( 5.797 1.311 1.428) 6.113 3.877 ( -5.137 9.992 0.518) 11.248 5.436 ( -1.446 -1.218 0.433) 1.940 5.871 ( -0.784 -4.483 7.230) 8.544 6.856 ( -2.636 2.064 -1.224) 3.565 7.582 ( 3.238 1.377 4.634) 5.818 7.869 ( 0.433 -1.450 -3.481) 3.795 10.402 ( 2.570 3.038 0.957) 4.093 11.099 ( -0.770 -3.973 -1.602) 4.353 11.637 ( 8.797 0.501 -1.975) 9.030 14.076 ( -3.853 3.091 -0.364) 4.953 15.388 ( 1.331 3.226 3.099) 4.667 16.152 ( -2.331 -5.505 -3.912) 7.145======================= Grid point 297 (55/213) =======================q-point: (-0.44 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.723 ( -12.431 1.173 -2.715) 12.778 3.088 ( -12.615 -5.298 -3.982) 14.251 3.701 ( 2.295 -1.619 0.288) 2.823 3.885 ( -4.476 8.810 -3.490) 10.480 5.348 ( -6.424 -3.146 0.708) 7.188 5.715 ( -9.088 -9.326 10.216) 16.551 6.804 ( -4.874 0.515 -0.967) 4.996 7.634 ( 1.757 0.010 3.673) 4.072 7.850 ( -0.381 -2.163 -1.824) 2.855 10.542 ( 8.283 6.249 0.690) 10.399 11.042 ( -0.110 -3.151 -0.805) 3.254 11.901 ( 17.936 4.415 -2.052) 18.585 14.017 ( -5.472 1.170 -0.540) 5.622 15.439 ( 0.085 4.455 5.812) 7.323 16.064 ( -1.711 -5.344 -7.796) 9.605======================= Grid point 298 (56/213) =======================q-point: (-0.38 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( -17.166 -0.589 -0.112) 17.177 2.807 ( -14.567 -5.831 -2.280) 15.856 3.665 ( -4.022 -1.592 0.781) 4.396 3.876 ( -5.655 4.300 -10.061) 12.316 5.145 ( -13.984 -5.781 0.741) 15.149 5.436 ( -9.956 -10.085 13.033) 19.254 6.708 ( -6.270 -0.648 -0.742) 6.347 7.633 ( -0.990 -1.667 0.048) 1.939 7.820 ( -0.324 -2.535 -0.069) 2.556 10.784 ( 11.737 7.722 0.413) 14.055 11.069 ( 5.599 0.289 0.933) 5.684 12.287 ( 22.101 4.569 -2.062) 22.663 13.925 ( -5.785 -0.034 -0.787) 5.838 15.466 ( -2.822 5.212 9.231) 10.970 15.992 ( -0.912 -4.824 -11.281) 12.303======================= Grid point 299 (57/213) =======================q-point: (-0.31 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( -20.545 -2.020 3.205) 20.891 2.476 ( -17.864 -6.582 -0.368) 19.042 3.556 ( -6.681 -1.795 -0.512) 6.937 3.728 ( -15.062 -0.854 -10.487) 18.373 4.742 ( -23.081 -9.866 3.642) 25.364 5.270 ( -1.128 -4.831 8.294) 9.665 6.589 ( -6.597 -1.243 -0.569) 6.737 7.569 ( -4.206 -2.738 -3.300) 6.006 7.793 ( 0.555 -2.998 0.081) 3.050 11.062 ( 12.584 6.453 0.405) 14.148 11.245 ( 12.578 4.449 3.676) 13.839 12.713 ( 24.092 2.264 -2.672) 24.346 13.835 ( -4.741 0.372 -1.286) 4.927 15.433 ( -6.706 3.678 12.116) 14.328 15.941 ( -1.076 -2.314 -12.760) 13.012======================= Grid point 300 (58/213) =======================q-point: (-0.25 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( -22.273 -2.506 7.053) 23.497 2.073 ( -22.289 -6.972 0.973) 23.374 3.308 ( -25.800 -6.976 -1.383) 26.762 3.445 ( -9.066 -0.514 -1.791) 9.256 4.247 ( -23.898 -8.369 1.556) 25.369 5.278 ( 4.953 -1.653 0.703) 5.269 6.470 ( -5.941 -1.286 -0.436) 6.094 7.431 ( -8.619 -3.691 -8.276) 12.506 7.799 ( 4.050 -2.568 2.655) 5.481 11.319 ( 11.600 3.852 0.930) 12.259 11.566 ( 18.589 6.890 5.948) 20.698 13.120 ( 23.863 -2.792 -4.211) 24.392 13.787 ( -2.400 2.800 -2.250) 4.320 15.299 ( -11.035 -1.122 12.279) 16.548 15.915 ( -2.471 3.621 -9.607) 10.560======================= Grid point 301 (59/213) =======================q-point: (-0.19 0.06 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( -22.224 -1.365 11.721) 25.163 1.597 ( -26.486 -5.861 2.289) 27.223 2.695 ( -36.786 -6.779 12.128) 39.322 3.316 ( -5.888 -1.459 -3.348) 6.929 3.803 ( -21.341 -3.999 -2.253) 21.829 5.376 ( 7.227 -0.636 -6.047) 9.445 6.369 ( -4.632 -0.920 -0.367) 4.737 7.207 ( -13.599 -4.035 -15.515) 21.022 7.901 ( 11.206 -1.543 11.152) 15.885 11.512 ( 8.535 0.708 1.475) 8.691 11.988 ( 22.944 6.830 5.842) 24.641 13.431 ( 18.742 -8.398 -6.337) 21.493 13.816 ( 1.519 4.199 -4.716) 6.494 15.032 ( -16.378 -6.421 9.480) 19.983 15.942 ( -2.241 11.253 -0.755) 11.499======================= Grid point 306 (60/213) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 13.095 19.771 9.323) 25.481 1.996 ( 11.488 21.085 0.895) 24.028 3.260 ( 16.654 23.752 1.398) 29.043 3.433 ( 5.276 11.069 -2.679) 12.551 4.164 ( 11.741 19.840 1.357) 23.093 5.224 ( -7.281 -4.808 -3.160) 9.280 6.455 ( 2.896 5.536 -0.453) 6.264 7.380 ( 3.849 9.070 -10.851) 14.657 7.725 ( -7.025 -2.626 1.424) 7.633 11.345 ( -6.508 -9.000 -0.026) 11.106 11.644 ( -10.315 -18.055 6.897) 21.908 13.035 ( -13.482 -16.268 -6.116) 21.996 13.829 ( 1.127 0.264 -2.409) 2.673 15.220 ( 0.869 14.379 4.812) 15.188 16.090 ( 11.272 -5.915 2.050) 12.894======================= Grid point 307 (61/213) =======================q-point: ( 0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( 12.783 19.200 7.208) 24.166 2.378 ( 12.072 16.431 0.267) 20.391 3.490 ( 2.555 7.099 -3.817) 8.455 3.887 ( 20.069 18.636 -5.557) 27.945 4.555 ( 12.467 17.219 5.811) 22.038 5.065 ( -6.645 -1.038 -1.009) 6.801 6.570 ( 3.646 6.463 -0.613) 7.445 7.492 ( 0.978 3.122 -6.687) 7.444 7.632 ( -2.582 2.659 -4.857) 6.109 11.129 ( -8.269 -8.898 -0.761) 12.171 11.320 ( -10.524 -11.892 4.576) 16.526 12.661 ( -11.282 -18.165 -4.375) 21.826 13.872 ( 2.142 3.071 -0.860) 3.842 15.332 ( -2.184 11.189 1.007) 11.445 16.195 ( 9.062 -7.908 4.838) 12.964======================= Grid point 308 (62/213) =======================q-point: ( 0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( 10.197 17.587 4.962) 20.926 2.719 ( 11.624 12.622 -0.393) 17.163 3.586 ( 1.777 5.207 -3.096) 6.313 4.266 ( 5.722 8.123 -7.268) 12.310 4.872 ( 9.361 10.362 5.348) 14.953 5.091 ( 7.796 9.172 1.330) 12.111 6.697 ( 3.461 6.976 -0.830) 7.831 7.479 ( -2.376 0.872 -5.623) 6.166 7.685 ( 2.819 3.680 -5.016) 6.830 10.903 ( -9.820 -7.046 -1.075) 12.134 11.076 ( -6.275 -7.737 2.136) 10.189 12.300 ( -10.736 -18.096 -2.342) 21.170 13.959 ( 3.095 5.518 -0.033) 6.327 15.372 ( -3.865 8.035 -1.083) 8.982 16.241 ( 6.188 -8.781 5.600) 12.114======================= Grid point 309 (63/213) =======================q-point: ( 0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.833 ( 5.466 15.027 2.343) 16.162 3.012 ( 10.640 8.972 -1.196) 13.969 3.646 ( 1.219 1.528 -0.833) 2.125 4.264 ( -10.344 7.446 -3.110) 13.119 5.140 ( 11.948 5.762 -1.869) 13.396 5.389 ( 13.704 8.956 4.936) 17.099 6.814 ( 2.276 6.920 -1.027) 7.357 7.464 ( -0.561 1.392 -3.597) 3.898 7.763 ( 3.098 1.774 -3.674) 5.122 10.666 ( -10.336 -5.347 -0.299) 11.641 10.973 ( 0.307 -3.880 -0.263) 3.901 11.955 ( -10.032 -16.464 -0.979) 19.304 14.071 ( 2.337 7.366 0.180) 7.730 15.372 ( -3.516 5.390 -1.462) 6.599 16.235 ( 3.307 -8.802 4.380) 10.373======================= Grid point 310 (64/213) =======================q-point: ( 0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( -0.759 11.590 -0.807) 11.643 3.247 ( 9.081 4.859 -1.676) 10.435 3.643 ( -1.536 -2.122 2.153) 3.391 4.165 ( -11.936 13.178 -2.374) 17.938 5.342 ( 7.101 2.360 -1.472) 7.626 5.664 ( 11.416 2.187 4.526) 12.474 6.901 ( 0.166 6.219 -1.140) 6.324 7.487 ( 1.678 1.158 -0.039) 2.040 7.819 ( 2.283 0.284 -2.732) 3.572 10.479 ( -6.672 -2.451 0.198) 7.111 10.992 ( 4.485 -1.748 -1.353) 5.000 11.660 ( -7.113 -13.142 -0.606) 14.955 14.165 ( -0.504 7.913 -0.037) 7.929 15.372 ( -1.513 3.948 -0.434) 4.250 16.186 ( 0.972 -8.415 1.763) 8.652======================= Grid point 311 (65/213) =======================q-point: ( 0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.036 ( -6.224 7.701 -2.804) 10.291 3.379 ( 1.109 0.064 -2.151) 2.420 3.582 ( -1.111 -0.839 2.972) 3.282 4.126 ( -9.611 15.080 -2.137) 18.010 5.426 ( 1.778 -0.214 -0.272) 1.811 5.791 ( 4.703 -4.535 5.090) 8.281 6.935 ( -2.558 4.778 -1.121) 5.535 7.537 ( 3.183 0.377 2.769) 4.236 7.843 ( 0.898 -0.935 -1.838) 2.249 10.409 ( -0.720 1.261 0.360) 1.496 11.044 ( 2.705 -3.285 -1.202) 4.422 11.510 ( 2.710 -6.402 -1.132) 7.043 14.196 ( -4.304 6.562 -0.401) 7.858 15.406 ( 0.820 4.464 1.465) 4.770 16.109 ( -0.463 -8.077 -1.536) 8.235======================= Grid point 313 (66/213) =======================q-point: (-0.50 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -10.658 5.052 -2.214) 12.000 3.257 ( -11.508 -1.956 -1.443) 11.762 3.627 ( 4.529 -0.667 0.470) 4.602 4.113 ( -8.989 13.736 -3.246) 16.734 5.403 ( -3.056 -1.981 0.597) 3.691 5.731 ( -3.645 -9.654 7.034) 12.488 6.907 ( -5.134 2.909 -0.941) 5.975 7.591 ( 3.038 -0.762 2.822) 4.215 7.833 ( -0.327 -1.873 -0.637) 2.005 10.480 ( 5.501 4.640 0.228) 7.200 11.007 ( -0.575 -4.951 -0.740) 5.039 11.642 ( 14.877 -0.179 -1.379) 14.942 14.149 ( -7.083 3.962 -0.609) 8.138 15.482 ( 1.524 6.693 3.878) 7.884 16.019 ( -0.806 -8.113 -5.018) 9.573======================= Grid point 314 (67/213) =======================q-point: (-0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( -15.638 3.649 0.392) 16.062 3.008 ( -14.708 -2.829 -1.616) 15.064 3.670 ( 1.342 -1.656 -1.028) 2.366 4.082 ( -9.434 11.240 -7.048) 16.279 5.291 ( -7.801 -2.522 0.703) 8.229 5.495 ( -10.318 -12.930 10.386) 19.533 6.824 ( -6.937 1.230 -0.715) 7.081 7.613 ( 1.168 -2.186 -0.094) 2.481 7.802 ( -0.757 -2.451 0.697) 2.658 10.670 ( 10.073 6.346 -0.139) 11.907 10.983 ( 3.079 -2.569 0.139) 4.012 11.951 ( 20.437 0.854 -1.191) 20.490 14.048 ( -7.831 1.705 -0.720) 8.047 15.570 ( -0.813 8.750 7.265) 11.402 15.933 ( 0.358 -7.799 -8.685) 11.678======================= Grid point 315 (68/213) =======================q-point: (-0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( -20.617 2.172 3.447) 21.015 2.717 ( -16.457 -3.317 -0.985) 16.817 3.633 ( -3.753 -1.657 -1.821) 4.488 3.995 ( -12.863 7.848 -11.262) 18.812 5.030 ( -19.957 -6.114 3.830) 21.222 5.240 ( -3.622 -9.279 9.326) 13.645 6.705 ( -7.704 0.099 -0.541) 7.723 7.588 ( -1.130 -2.792 -3.066) 4.298 7.760 ( -0.868 -3.377 0.047) 3.487 10.913 ( 11.546 4.702 -0.693) 12.486 11.082 ( 9.878 1.230 2.383) 10.236 12.321 ( 22.850 -0.444 -1.572) 22.908 13.935 ( -6.612 0.869 -1.007) 6.744 15.585 ( -5.948 4.271 8.851) 11.487 15.908 ( 2.591 -1.343 -9.195) 9.648======================= Grid point 316 (69/213) =======================q-point: (-0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( -23.255 1.012 6.197) 24.088 2.384 ( -19.870 -2.708 0.211) 20.055 3.518 ( -7.821 -1.767 -2.906) 8.529 3.765 ( -22.074 4.386 -8.228) 23.962 4.587 ( -23.897 -5.355 5.387) 25.075 5.171 ( 3.160 -5.396 3.271) 7.057 6.575 ( -7.397 -0.389 -0.444) 7.420 7.519 ( -4.666 -2.155 -5.531) 7.550 7.717 ( 0.922 -4.543 -1.526) 4.880 11.141 ( 12.264 1.560 -0.311) 12.367 11.324 ( 15.542 2.773 4.673) 16.464 12.695 ( 22.985 -2.579 -3.091) 23.335 13.855 ( -3.864 1.285 -1.595) 4.373 15.456 ( -9.308 -3.324 6.009) 11.567 15.981 ( 1.383 7.898 -3.606) 8.792======================= Grid point 324 (70/213) =======================q-point: ( 0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 11.697 18.157 5.426) 22.270 2.683 ( 8.623 15.020 -0.327) 17.322 3.606 ( 1.182 4.218 -3.007) 5.314 4.162 ( 15.413 9.924 -11.709) 21.752 4.910 ( 4.390 18.693 10.006) 21.652 5.107 ( -1.451 5.318 1.671) 5.760 6.705 ( 3.935 7.240 -0.507) 8.256 7.532 ( -2.393 1.598 -5.035) 5.799 7.702 ( -0.480 3.654 -2.030) 4.208 10.952 ( -5.673 -9.147 -1.337) 10.846 11.101 ( -6.218 -10.421 2.831) 12.461 12.303 ( -11.447 -18.509 -1.638) 21.824 13.952 ( 3.965 5.341 -0.687) 6.687 15.532 ( -3.743 9.199 -0.179) 9.933 16.026 ( 7.575 -9.207 2.331) 12.149======================= Grid point 325 (71/213) =======================q-point: ( 0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 8.736 14.738 3.871) 17.565 2.962 ( 7.775 13.182 -0.590) 15.316 3.640 ( 0.453 0.161 -1.642) 1.711 4.423 ( 3.808 8.687 -8.123) 12.488 5.057 ( 2.931 8.726 4.742) 10.354 5.291 ( 9.082 10.109 3.019) 13.921 6.840 ( 3.336 7.529 -0.590) 8.256 7.500 ( -2.323 0.920 -4.165) 4.857 7.745 ( 1.491 2.611 -1.038) 3.181 10.759 ( -7.705 -7.887 -1.266) 11.098 10.946 ( -2.405 -5.103 0.834) 5.702 11.950 ( -9.677 -17.648 -0.379) 20.130 14.088 ( 4.389 7.694 -0.080) 8.858 15.521 ( -6.449 7.130 -2.969) 10.062 16.053 ( 6.782 -10.262 4.501) 13.099======================= Grid point 326 (72/213) =======================q-point: ( 0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( 4.773 12.427 3.138) 13.677 3.174 ( 4.482 8.629 -2.752) 10.105 3.634 ( 0.255 -1.956 1.882) 2.726 4.482 ( -8.053 13.957 -3.580) 16.506 5.227 ( 8.732 3.287 -1.094) 9.394 5.513 ( 8.829 3.440 3.604) 10.137 6.956 ( 1.548 7.432 -0.625) 7.617 7.479 ( -0.411 -0.210 -1.694) 1.755 7.794 ( 1.707 1.566 -0.267) 2.332 10.563 ( -7.127 -5.210 -0.716) 8.857 10.916 ( 2.215 -1.673 -0.530) 2.826 11.641 ( -7.532 -15.501 0.170) 17.235 14.233 ( 2.559 8.997 0.023) 9.354 15.474 ( -5.468 5.083 -2.495) 7.872 16.050 ( 4.435 -9.895 3.239) 11.317======================= Grid point 327 (73/213) =======================q-point: ( 0.38 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.214 ( -5.110 8.732 -2.156) 10.344 3.326 ( 6.398 4.197 0.520) 7.669 3.609 ( -1.933 -1.054 4.249) 4.786 4.465 ( -11.182 16.777 -3.170) 20.410 5.370 ( 5.309 0.649 -1.363) 5.520 5.643 ( 6.869 -4.386 3.321) 8.801 7.027 ( -1.485 6.579 -0.685) 6.780 7.485 ( 2.150 -1.636 0.839) 2.829 7.827 ( 0.796 0.682 0.513) 1.167 10.442 ( -2.959 -1.497 -0.494) 3.353 10.965 ( 3.789 -0.806 -0.664) 3.930 11.419 ( -2.075 -11.362 -0.102) 11.551 14.327 ( -1.967 8.293 -0.321) 8.530 15.457 ( -1.808 4.873 -0.478) 5.220 16.010 ( 2.030 -9.445 0.548) 9.676======================= Grid point 328 (74/213) =======================q-point: (-0.56 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( -8.108 4.318 -2.873) 9.625 3.414 ( -4.012 4.173 3.304) 6.665 3.559 ( 0.471 -1.954 1.463) 2.487 4.436 ( -11.475 16.284 -4.129) 20.345 5.412 ( 0.090 -1.304 0.089) 1.310 5.652 ( 1.920 -9.299 3.804) 10.229 7.027 ( -4.783 4.501 -0.693) 6.605 7.518 ( 3.780 -2.293 1.604) 4.703 7.831 ( -0.625 -0.273 1.319) 1.485 10.442 ( 2.825 1.850 -0.470) 3.409 10.973 ( -0.626 -3.592 -0.287) 3.657 11.409 ( 10.137 -4.014 -0.568) 10.918 14.318 ( -6.931 5.565 -0.626) 8.910 15.517 ( 2.040 6.981 1.743) 7.479 15.938 ( 0.260 -9.392 -2.264) 9.665======================= Grid point 329 (75/213) =======================q-point: (-0.50 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.034 ( -10.969 2.917 -1.055) 11.400 3.254 ( -15.074 0.949 2.627) 15.330 3.606 ( 4.196 -1.074 -0.637) 4.378 4.388 ( -11.823 13.844 -6.227) 19.241 5.353 ( -3.626 -4.184 2.112) 5.926 5.525 ( -5.965 -9.611 5.029) 12.379 6.959 ( -6.993 2.178 -0.579) 7.347 7.553 ( 2.974 -2.754 -0.227) 4.060 7.805 ( -1.560 -1.034 1.882) 2.654 10.565 ( 8.139 3.550 -0.653) 8.904 10.925 ( 0.288 -3.169 -0.148) 3.185 11.631 ( 17.422 -0.724 -0.309) 17.440 14.216 ( -9.371 2.719 -0.588) 9.775 15.647 ( 2.854 10.044 4.378) 11.322 15.842 ( -0.149 -9.918 -5.214) 11.206======================= Grid point 330 (76/213) =======================q-point: (-0.44 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( -16.001 2.362 2.359) 16.345 2.975 ( -17.100 -0.943 0.561) 17.135 3.643 ( 0.850 -0.841 -2.042) 2.366 4.304 ( -12.487 10.704 -9.718) 19.103 5.216 ( -5.022 -10.469 7.303) 13.717 5.279 ( -14.363 -2.890 3.455) 15.053 6.843 ( -8.112 0.545 -0.503) 8.146 7.557 ( 0.993 -3.247 -3.194) 4.661 7.762 ( -2.039 -1.567 1.107) 2.799 10.761 ( 10.834 2.512 -1.173) 11.183 10.950 ( 5.564 -0.839 0.981) 5.712 11.950 ( 20.631 -0.400 -0.408) 20.639 14.076 ( -8.969 1.154 -0.535) 9.059 15.685 ( -4.523 -4.145 1.642) 6.351 15.850 ( 5.710 6.186 -1.753) 8.599======================= Grid point 341 (77/213) =======================q-point: ( 0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.081 ( 7.494 8.296 0.204) 11.182 3.244 ( 5.140 14.535 2.384) 15.601 3.606 ( -0.453 -3.171 0.330) 3.220 4.593 ( 9.963 8.240 -7.136) 14.768 5.214 ( -3.046 7.507 3.793) 8.946 5.447 ( 3.975 5.447 2.237) 7.105 6.981 ( 3.860 6.829 -0.348) 7.852 7.502 ( -2.964 -0.920 -1.878) 3.627 7.791 ( 0.889 2.210 1.723) 2.940 10.601 ( -4.656 -7.945 -1.140) 9.279 10.891 ( -0.578 -0.531 -0.045) 0.786 11.624 ( -8.686 -15.616 0.398) 17.874 14.249 ( 5.530 8.492 -0.236) 10.137 15.645 ( -8.246 5.528 -4.201) 10.780 15.856 ( 6.962 -9.681 4.067) 12.599======================= Grid point 342 (78/213) =======================q-point: ( 0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.262 ( 6.137 4.982 -0.457) 7.917 3.373 ( -3.413 8.472 -0.215) 9.136 3.602 ( 2.226 -0.462 5.593) 6.038 4.765 ( -2.990 14.273 -4.231) 15.185 5.275 ( 4.860 1.943 -0.346) 5.245 5.516 ( 2.979 -3.110 1.621) 4.602 7.097 ( 1.552 7.042 -0.090) 7.212 7.446 ( -0.951 -3.213 -0.150) 3.354 7.827 ( 0.803 1.706 2.312) 2.983 10.470 ( -3.400 -4.095 -1.159) 5.447 10.915 ( 2.396 1.699 -0.256) 2.949 11.363 ( -5.465 -12.978 0.579) 14.093 14.405 ( 2.523 8.128 -0.322) 8.517 15.567 ( -5.780 4.438 -2.361) 7.660 15.863 ( 4.461 -9.003 2.125) 10.270======================= Grid point 343 (79/213) =======================q-point: ( 0.38 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.307 ( -5.312 2.319 -2.876) 6.470 3.424 ( 4.389 3.733 1.943) 6.081 3.608 ( -3.572 1.189 6.518) 7.527 4.788 ( -10.720 15.687 -4.026) 19.422 5.376 ( 3.778 0.103 -0.961) 3.899 5.502 ( 3.765 -9.531 1.524) 10.361 7.149 ( -3.445 5.806 -0.097) 6.751 7.425 ( 3.181 -4.070 0.936) 5.250 7.844 ( -0.384 0.825 2.827) 2.969 10.420 ( 0.441 -0.717 -1.169) 1.440 10.966 ( -0.163 0.900 0.080) 0.919 11.230 ( 4.034 -7.713 0.204) 8.707 14.466 ( -3.507 5.546 -0.620) 6.591 15.562 ( -0.392 5.869 -0.073) 5.883 15.830 ( 1.927 -8.798 -0.242) 9.010======================= Grid point 345 (80/213) =======================q-point: (-0.56 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.215 ( -7.896 2.163 -1.629) 8.347 3.484 ( -8.727 -3.101 3.047) 9.750 3.530 ( 2.431 3.849 3.221) 5.577 4.724 ( -12.607 11.763 -5.573) 18.121 5.344 ( -2.266 -7.002 2.135) 7.663 5.498 ( 1.804 -3.403 0.906) 3.957 7.097 ( -6.772 2.181 -0.166) 7.116 7.465 ( 4.399 -2.462 0.274) 5.049 7.829 ( -1.722 -0.039 2.810) 3.296 10.471 ( 5.275 0.850 -1.136) 5.462 10.920 ( -2.602 -1.637 -0.045) 3.074 11.357 ( 13.854 -1.235 0.315) 13.913 14.398 ( -8.590 2.407 -0.547) 8.937 15.660 ( 4.314 5.246 -0.200) 6.794 15.765 ( -0.231 -5.856 -0.295) 5.868======================= Grid point 359 (81/213) =======================q-point: ( 0.31 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.344 ( 3.836 3.722 -1.022) 5.442 3.430 ( -3.364 -1.638 -0.482) 3.773 3.639 ( 2.394 2.748 8.370) 9.129 4.999 ( 6.040 8.378 -4.445) 11.244 5.319 ( -1.500 3.056 0.219) 3.411 5.407 ( -2.216 -7.221 -0.301) 7.559 7.224 ( 3.402 5.696 0.405) 6.647 7.363 ( -3.057 -4.771 0.655) 5.705 7.852 ( 0.409 0.754 3.466) 3.571 10.413 ( -0.916 -1.572 -1.472) 2.340 10.982 ( 2.643 4.852 0.226) 5.530 11.147 ( -4.877 -8.753 0.506) 10.033 14.524 ( 2.147 3.553 -0.683) 4.207 15.640 ( -1.308 2.555 -0.906) 3.010 15.722 ( 0.150 -4.601 0.589) 4.641======================= Grid point 542 (82/213) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 213Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( 0.000 0.000 27.702) 27.702 1.186 ( 0.000 -0.000 27.702) 27.702 1.914 ( 0.000 -0.000 46.460) 46.460 3.018 ( 0.000 0.000 -9.325) 9.325 3.018 ( 0.000 -0.000 -9.325) 9.325 5.274 ( -0.000 -0.000 -22.141) 22.141 6.239 ( 0.000 -0.000 -0.477) 0.477 6.239 ( 0.000 -0.000 -0.477) 0.477 10.036 ( 0.000 0.000 2.326) 2.326 11.765 ( 0.000 0.000 3.594) 3.594 11.765 ( 0.000 -0.000 3.594) 3.594 13.719 ( 0.000 0.000 -2.616) 2.616 13.719 ( 0.000 -0.000 -2.616) 2.616 14.288 ( 0.000 -0.000 -0.695) 0.695 16.605 ( -0.000 0.000 0.687) 0.687======================= Grid point 543 (83/213) =======================q-point: ( 0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 5.292 3.055 27.194) 27.872 1.291 ( 7.776 4.489 25.669) 27.194 2.151 ( 18.227 10.523 35.796) 41.525 3.024 ( 1.288 0.744 -9.358) 9.475 3.159 ( 11.690 6.749 -7.041) 15.225 5.247 ( -2.303 -1.330 -20.302) 20.476 6.252 ( 1.287 0.743 -0.523) 1.576 6.386 ( 11.518 6.650 -4.918) 14.180 9.222 ( -48.042 -27.737 14.272) 57.280 11.705 ( -4.079 -2.355 3.138) 5.660 12.342 ( 25.380 14.653 -4.215) 29.608 13.544 ( -13.906 -8.029 -4.186) 16.594 13.741 ( 0.789 0.455 -2.284) 2.459 14.436 ( 12.379 7.147 -0.047) 14.294 16.471 ( -7.667 -4.427 4.635) 9.993======================= Grid point 544 (84/213) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 16.150 9.324 18.516) 26.279 1.518 ( 12.125 7.001 21.145) 25.360 2.628 ( 23.040 13.302 17.938) 32.087 3.074 ( 3.060 1.767 -8.805) 9.487 3.523 ( 20.109 11.610 -1.108) 23.247 5.175 ( -4.093 -2.363 -15.852) 16.542 6.297 ( 2.724 1.573 -0.664) 3.215 6.687 ( 14.218 8.209 -9.765) 19.102 8.312 ( -31.993 -18.471 10.731) 38.469 11.583 ( -6.775 -3.911 2.160) 8.115 12.487 ( -11.877 -6.857 9.224) 16.528 13.219 ( -11.998 -6.927 -13.580) 19.400 13.757 ( 0.777 0.449 -1.604) 1.838 14.764 ( 14.647 8.456 3.151) 17.204 16.387 ( 0.356 0.206 3.591) 3.615======================= Grid point 545 (85/213) =======================q-point: ( 0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( 14.287 8.249 15.790) 22.836 1.866 ( 19.192 11.081 10.568) 24.552 3.154 ( 23.448 13.538 0.371) 27.078 3.160 ( 4.560 2.633 -7.515) 9.177 4.026 ( 23.988 13.849 5.852) 28.310 5.069 ( -5.159 -2.978 -9.298) 11.042 6.373 ( 4.013 2.317 -0.889) 4.718 6.994 ( 12.806 7.394 -10.874) 18.355 7.763 ( -17.876 -10.321 2.262) 20.765 11.402 ( -9.362 -5.405 1.133) 10.870 12.029 ( -23.956 -13.831 12.287) 30.268 12.988 ( -10.341 -5.970 -12.851) 17.542 13.781 ( 1.474 0.851 -0.869) 1.911 15.035 ( 9.245 5.338 5.193) 11.872 16.442 ( 3.345 1.931 1.026) 3.996======================= Grid point 546 (86/213) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 14.046 8.109 10.049) 19.079 2.281 ( 17.481 10.093 5.750) 20.988 3.277 ( 5.954 3.437 -5.266) 8.660 3.651 ( 19.701 11.374 -13.411) 26.407 4.565 ( 23.290 13.447 11.240) 29.147 4.966 ( -2.867 -1.655 -1.606) 3.680 6.473 ( 4.852 2.801 -1.164) 5.723 7.251 ( 9.797 5.656 -9.866) 15.010 7.480 ( -7.638 -4.410 -2.402) 9.141 11.168 ( -11.342 -6.548 0.525) 13.107 11.533 ( -19.123 -11.041 7.713) 23.390 12.728 ( -12.896 -7.445 -8.113) 16.957 13.827 ( 2.564 1.480 -0.351) 2.982 15.186 ( 4.615 2.665 4.961) 7.281 16.500 ( 1.457 0.841 -0.025) 1.683======================= Grid point 547 (87/213) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.428 ( 11.219 6.477 3.990) 13.555 2.644 ( 14.861 8.580 1.973) 17.273 3.426 ( 7.247 4.184 -2.017) 8.608 3.957 ( 5.918 3.417 -17.970) 19.225 4.930 ( 7.705 4.449 6.229) 10.861 5.123 ( 19.437 11.222 10.206) 24.656 6.585 ( 4.954 2.860 -1.446) 5.900 7.357 ( 0.215 0.124 -2.218) 2.232 7.478 ( 6.599 3.810 -8.610) 11.497 10.905 ( -11.833 -6.832 0.530) 13.674 11.193 ( -11.079 -6.397 2.921) 13.122 12.415 ( -14.794 -8.541 -4.896) 17.770 13.894 ( 3.305 1.908 -0.144) 3.819 15.260 ( 2.278 1.315 4.128) 4.895 16.498 ( -1.651 -0.953 -0.803) 2.069======================= Grid point 548 (88/213) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 6.781 3.915 -1.431) 7.960 2.948 ( 12.158 7.020 -1.877) 14.164 3.595 ( 7.484 4.321 1.281) 8.736 3.929 ( -6.435 -3.715 -10.225) 12.640 5.149 ( 10.771 6.219 0.950) 12.473 5.558 ( 17.808 10.282 11.808) 23.712 6.689 ( 4.180 2.413 -1.694) 5.116 7.405 ( 4.197 2.423 1.635) 5.115 7.616 ( 5.197 3.001 -8.445) 10.360 10.654 ( -10.071 -5.815 0.985) 11.671 11.033 ( -3.391 -1.958 -0.568) 3.956 12.076 ( -15.097 -8.716 -3.318) 17.745 13.967 ( 3.076 1.776 -0.153) 3.556 15.302 ( 1.764 1.019 3.541) 4.085 16.430 ( -4.335 -2.503 -1.769) 5.310======================= Grid point 549 (89/213) =======================q-point: ( 0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.733 ( 2.314 1.336 -4.739) 5.440 3.173 ( 7.229 4.173 -7.191) 11.017 3.745 ( 5.530 3.193 3.234) 7.158 3.754 ( -7.488 -4.323 -1.210) 8.731 5.353 ( 6.733 3.888 -0.619) 7.800 5.893 ( 11.596 6.695 10.182) 16.822 6.766 ( 2.567 1.482 -1.880) 3.510 7.525 ( 5.855 3.381 4.849) 8.320 7.710 ( 3.306 1.909 -7.711) 8.605 10.471 ( -5.904 -3.408 1.518) 6.984 11.027 ( 2.287 1.320 -2.377) 3.553 11.761 ( -12.273 -7.086 -2.922) 14.470 14.023 ( 1.749 1.010 -0.227) 2.033 15.346 ( 2.195 1.267 3.258) 4.128 16.313 ( -5.868 -3.388 -2.693) 7.292======================= Grid point 550 (90/213) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.739 ( -1.665 -0.961 -5.570) 5.893 3.219 ( -3.713 -2.144 -11.613) 12.379 3.665 ( 0.195 0.112 4.568) 4.573 3.830 ( 1.858 1.073 3.599) 4.190 5.440 ( 1.081 0.624 -0.707) 1.434 6.060 ( 3.135 1.810 9.119) 9.812 6.799 ( 0.332 0.192 -1.962) 1.999 7.634 ( 3.129 1.807 3.000) 4.696 7.775 ( 2.767 1.598 -4.153) 5.240 10.402 ( -0.062 -0.036 1.756) 1.757 11.084 ( 1.029 0.594 -2.860) 3.097 11.587 ( -1.273 -0.735 -2.960) 3.305 14.040 ( -0.297 -0.171 -0.264) 0.433 15.402 ( 2.768 1.598 3.075) 4.436 16.177 ( -6.079 -3.510 -3.081) 7.666======================= Grid point 552 (91/213) =======================q-point: (-0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( -5.281 -3.049 -4.265) 7.441 3.063 ( -8.742 -5.047 -8.170) 12.986 3.704 ( 1.688 0.975 0.847) 2.125 3.826 ( -2.124 -1.226 2.769) 3.699 5.405 ( -4.072 -2.351 -0.605) 4.740 6.031 ( -5.615 -3.242 9.051) 11.134 6.780 ( -2.067 -1.193 -1.907) 3.055 7.656 ( -0.892 -0.515 -3.049) 3.218 7.831 ( 1.831 1.057 0.514) 2.175 10.470 ( 5.990 3.458 1.534) 7.085 11.051 ( -2.290 -1.322 -2.572) 3.688 11.731 ( 12.540 7.240 -2.852) 14.758 14.010 ( -2.402 -1.387 -0.230) 2.783 15.467 ( 3.029 1.749 2.899) 4.543 16.047 ( -5.444 -3.143 -2.568) 6.791======================= Grid point 553 (92/213) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( -8.545 -4.934 -1.198) 9.940 2.853 ( -9.983 -5.764 -4.239) 12.282 3.701 ( -2.436 -1.407 -4.294) 5.134 3.741 ( -5.301 -3.061 1.066) 6.213 5.261 ( -8.876 -5.125 -0.058) 10.250 5.826 ( -11.981 -6.917 9.134) 16.578 6.710 ( -4.010 -2.315 -1.730) 4.943 7.611 ( -2.859 -1.651 -5.791) 6.666 7.841 ( -1.084 -0.626 -0.542) 1.364 10.661 ( 10.700 6.178 1.003) 12.396 11.051 ( 3.108 1.795 -0.840) 3.686 12.079 ( 17.568 10.143 -3.438) 20.574 13.937 ( -3.896 -2.249 -0.158) 4.501 15.535 ( 2.968 1.713 3.085) 4.611 15.931 ( -5.027 -2.902 -1.403) 5.972======================= Grid point 554 (93/213) =======================q-point: (-0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.281 ( -11.264 -6.503 3.226) 13.400 2.607 ( -12.214 -7.052 0.013) 14.103 3.586 ( -7.867 -4.542 -8.803) 12.650 3.598 ( -7.127 -4.115 -1.230) 8.321 4.991 ( -15.759 -9.099 2.435) 18.359 5.544 ( -11.797 -6.811 6.676) 15.170 6.607 ( -5.026 -2.902 -1.475) 5.989 7.527 ( -4.945 -2.855 -6.965) 9.006 7.795 ( -2.198 -1.269 -3.706) 4.491 10.932 ( 13.046 7.532 0.543) 15.074 11.207 ( 10.850 6.264 2.569) 12.789 12.492 ( 18.881 10.901 -5.451) 22.473 13.843 ( -4.309 -2.488 -0.151) 4.978 15.601 ( 2.954 1.706 4.825) 5.909 15.810 ( -6.081 -3.511 -0.899) 7.079======================= Grid point 555 (94/213) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -13.030 -7.523 8.556) 17.309 2.293 ( -15.929 -9.197 4.871) 19.027 3.353 ( -12.701 -7.333 -9.086) 17.252 3.432 ( -7.478 -4.317 -3.730) 9.406 4.547 ( -23.201 -13.395 6.192) 27.496 5.339 ( -6.342 -3.661 -0.118) 7.324 6.493 ( -5.010 -2.892 -1.184) 5.905 7.362 ( -10.129 -5.848 -8.928) 14.714 7.794 ( 3.123 1.803 -3.917) 5.325 11.226 ( 12.702 7.334 0.551) 14.678 11.527 ( 17.175 9.916 6.585) 20.897 12.911 ( 18.124 10.464 -8.887) 22.737 13.753 ( -3.492 -2.016 -0.374) 4.050 15.631 ( -8.484 -4.898 10.347) 14.249 15.683 ( 2.685 1.550 -3.586) 4.741======================= Grid point 556 (95/213) =======================q-point: (-0.19 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( -13.203 -7.623 14.395) 20.968 1.900 ( -18.610 -10.744 10.672) 23.993 3.023 ( -16.657 -9.617 -0.912) 19.256 3.273 ( -6.569 -3.792 -5.985) 9.662 3.995 ( -25.020 -14.445 5.729) 29.453 5.248 ( -2.062 -1.190 -8.129) 8.471 6.388 ( -4.188 -2.418 -0.899) 4.919 7.080 ( -14.647 -8.457 -11.182) 20.276 7.966 ( 12.800 7.390 1.069) 14.819 11.484 ( 10.033 5.792 1.216) 11.648 11.945 ( 19.056 11.002 8.791) 23.694 13.288 ( 15.017 8.670 -12.628) 21.451 13.694 ( -1.748 -1.009 -0.949) 2.230 15.345 ( -16.425 -9.483 1.704) 19.042 15.803 ( 7.632 4.407 7.861) 11.810======================= Grid point 557 (96/213) =======================q-point: (-0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -10.990 -6.345 20.391) 24.017 1.499 ( -15.909 -9.185 19.219) 26.587 2.608 ( -20.199 -11.662 16.154) 28.371 3.143 ( -4.858 -2.805 -7.689) 9.518 3.476 ( -20.146 -11.631 -0.713) 23.274 5.233 ( 0.433 0.250 -15.355) 15.363 6.308 ( -2.931 -1.692 -0.669) 3.450 6.727 ( -16.302 -9.412 -10.645) 21.625 8.407 ( 27.636 15.956 9.723) 33.360 11.666 ( 6.079 3.510 2.318) 7.393 12.310 ( 11.023 6.364 5.132) 13.724 13.557 ( 8.425 4.864 -13.347) 16.516 13.676 ( 0.103 0.059 -1.760) 1.764 14.899 ( -22.391 -12.927 -0.289) 25.856 16.045 ( 14.165 8.178 11.027) 19.726======================= Grid point 558 (97/213) =======================q-point: (-0.06 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( -5.852 -3.379 25.567) 26.445 1.245 ( -6.058 -3.497 27.623) 28.495 2.155 ( -18.363 -10.602 35.335) 41.209 3.057 ( -2.811 -1.623 -8.779) 9.360 3.128 ( -10.450 -6.033 -7.444) 14.177 5.255 ( 1.259 0.727 -20.247) 20.299 6.258 ( -1.540 -0.889 -0.525) 1.854 6.390 ( -12.419 -7.170 -5.257) 15.273 9.240 ( 45.880 26.489 13.864) 54.762 11.757 ( 2.110 1.218 3.281) 4.087 12.259 ( -19.496 -11.256 -3.951) 22.856 13.673 ( 3.266 1.886 -6.234) 7.286 13.692 ( 1.140 0.658 -2.425) 2.759 14.449 ( -14.685 -8.479 -0.524) 16.965 16.404 ( 15.659 9.041 6.950) 19.371======================= Grid point 560 (98/213) =======================q-point: ( 0.06 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 7.316 13.141 21.213) 26.004 1.432 ( 8.351 10.997 22.462) 26.367 2.485 ( 12.481 21.041 22.131) 32.988 3.089 ( -0.041 5.250 -8.519) 10.008 3.383 ( 12.033 16.735 -2.859) 20.809 5.217 ( -2.809 -1.392 -17.100) 17.385 6.288 ( 1.115 2.804 -0.599) 3.077 6.614 ( 7.573 15.582 -9.305) 19.665 8.552 ( -22.752 -33.201 12.426) 42.123 11.659 ( -6.086 -3.733 2.446) 7.547 12.450 ( 4.629 -7.331 3.628) 9.399 13.410 ( -17.372 -6.167 -9.333) 20.662 13.746 ( 1.956 -0.175 -3.804) 4.281 14.721 ( 7.404 20.982 1.145) 22.280 16.267 ( 5.114 -13.888 7.281) 16.494======================= Grid point 561 (99/213) =======================q-point: ( 0.12 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 13.419 13.406 15.755) 24.658 1.727 ( 12.058 15.740 14.715) 24.692 2.932 ( 18.106 16.271 5.231) 24.899 3.163 ( 1.866 7.359 -7.332) 10.554 3.823 ( 18.526 19.186 3.792) 26.938 5.137 ( -5.083 -1.207 -11.657) 12.774 6.351 ( 2.443 3.875 -0.729) 4.638 6.902 ( 9.322 13.092 -11.044) 19.501 7.958 ( -18.969 -16.005 4.771) 25.273 11.495 ( -7.971 -5.755 1.297) 9.917 12.212 ( -14.650 -19.022 12.258) 26.958 13.085 ( -11.860 -8.315 -12.856) 19.367 13.769 ( 1.164 0.455 -2.486) 2.782 15.015 ( 5.093 15.706 4.327) 17.069 16.304 ( 9.801 -7.467 2.948) 12.669======================= Grid point 562 (100/213) =======================q-point: ( 0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( 11.781 13.827 12.725) 22.179 2.123 ( 15.190 14.747 7.227) 22.371 3.246 ( 4.471 6.535 -6.704) 10.375 3.436 ( 18.870 14.197 -8.172) 24.988 4.344 ( 20.723 18.508 9.236) 29.279 5.033 ( -5.817 -0.450 -4.694) 7.488 6.443 ( 3.399 4.826 -0.928) 5.975 7.166 ( 8.533 9.628 -10.488) 16.598 7.596 ( -11.590 -6.200 -1.239) 13.202 11.281 ( -9.844 -7.342 0.362) 12.285 11.733 ( -19.026 -15.737 9.988) 26.635 12.817 ( -9.593 -11.400 -9.281) 17.553 13.805 ( 2.072 1.581 -1.253) 2.892 15.192 ( 1.600 9.756 4.972) 11.066 16.399 ( 8.028 -5.550 0.772) 9.791======================= Grid point 563 (101/213) =======================q-point: ( 0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.352 ( 9.713 13.486 7.325) 18.163 2.497 ( 13.897 11.740 3.437) 18.514 3.384 ( 4.567 7.121 -3.972) 9.346 3.848 ( 13.997 8.939 -17.103) 23.840 4.837 ( 15.283 13.301 12.189) 23.645 4.987 ( 3.399 4.569 2.114) 6.074 6.554 ( 3.711 5.419 -1.177) 6.672 7.350 ( 3.240 3.170 -6.588) 7.996 7.456 ( -0.926 3.025 -5.339) 6.206 11.030 ( -10.967 -7.571 -0.085) 13.327 11.323 ( -13.914 -10.401 5.273) 18.155 12.527 ( -11.025 -12.852 -5.540) 17.816 13.870 ( 2.840 3.122 -0.520) 4.252 15.274 ( -0.283 5.707 4.154) 7.064 16.448 ( 4.059 -5.739 -0.126) 7.031======================= Grid point 564 (102/213) =======================q-point: ( 0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( 5.572 11.715 1.786) 13.095 2.818 ( 12.220 9.047 0.030) 15.205 3.538 ( 5.578 6.622 -0.545) 8.675 4.007 ( -1.996 2.984 -14.461) 14.900 5.037 ( 8.591 6.136 3.433) 11.101 5.350 ( 18.510 11.170 11.231) 24.363 6.667 ( 3.198 5.479 -1.428) 6.503 7.380 ( 1.595 2.282 -0.481) 2.825 7.568 ( 4.764 4.995 -8.098) 10.641 10.776 ( -10.938 -6.351 0.185) 12.649 11.074 ( -6.191 -5.827 1.195) 8.585 12.202 ( -12.343 -12.972 -3.351) 18.217 13.954 ( 2.569 4.499 -0.241) 5.186 15.309 ( -0.395 3.350 3.367) 4.766 16.424 ( 0.189 -6.323 -1.020) 6.407======================= Grid point 565 (103/213) =======================q-point: ( 0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.762 ( 0.763 9.329 -2.447) 9.674 3.080 ( 9.627 6.398 -3.737) 12.148 3.679 ( 4.316 2.900 2.024) 5.580 3.917 ( -9.568 4.215 -5.705) 11.910 5.256 ( 9.320 4.603 -0.106) 10.395 5.725 ( 15.259 6.419 10.379) 19.539 6.761 ( 1.840 4.940 -1.649) 5.523 7.467 ( 4.824 3.465 3.208) 6.751 7.677 ( 3.442 3.357 -7.352) 8.785 10.556 ( -8.425 -4.334 0.863) 9.514 10.996 ( 0.833 -1.877 -1.437) 2.507 11.875 ( -11.791 -11.665 -2.544) 16.780 14.034 ( 0.997 5.094 -0.233) 5.196 15.336 ( 0.669 2.301 2.997) 3.837 16.338 ( -2.668 -6.624 -2.030) 7.424======================= Grid point 566 (104/213) =======================q-point: ( 0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( -3.500 7.173 -4.222) 9.029 3.236 ( 2.301 2.568 -8.857) 9.505 3.680 ( -2.549 -1.826 3.486) 4.689 3.881 ( -2.952 8.943 1.437) 9.526 5.404 ( 4.415 1.448 -0.783) 4.712 5.968 ( 8.991 0.707 8.917) 12.682 6.819 ( -0.216 3.826 -1.803) 4.235 7.582 ( 4.850 1.900 4.145) 6.657 7.753 ( 2.294 2.700 -5.179) 6.275 10.426 ( -3.375 -1.284 1.318) 3.844 11.039 ( 4.060 -0.208 -2.396) 4.719 11.614 ( -6.355 -7.621 -2.579) 10.253 14.078 ( -1.436 4.530 -0.287) 4.761 15.381 ( 1.952 2.325 2.846) 4.161 16.215 ( -4.092 -6.432 -2.757) 8.107======================= Grid point 567 (105/213) =======================q-point: (-0.50 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( -7.373 5.721 -3.665) 10.026 3.180 ( -8.483 -1.166 -9.321) 12.657 3.670 ( 2.021 -0.235 3.342) 3.912 3.904 ( -4.043 6.365 1.940) 7.786 5.432 ( -1.056 -1.249 -0.764) 1.805 6.031 ( 0.866 -4.886 8.458) 9.806 6.825 ( -2.608 2.320 -1.830) 3.941 7.642 ( 1.587 -1.075 -0.463) 1.971 7.813 ( 1.879 2.105 -0.393) 2.849 10.425 ( 2.741 2.308 1.323) 3.819 11.058 ( -0.740 -3.062 -2.455) 3.994 11.591 ( 8.360 0.974 -2.566) 8.799 14.070 ( -3.851 2.955 -0.270) 4.862 15.446 ( 2.602 3.222 2.607) 4.894 16.084 ( -4.191 -5.894 -2.673) 7.710======================= Grid point 568 (106/213) =======================q-point: (-0.44 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( -11.425 4.889 -1.302) 12.495 2.986 ( -11.285 -2.784 -5.950) 13.057 3.689 ( 0.608 -2.332 -0.747) 2.523 3.861 ( -7.236 4.333 0.110) 8.435 5.349 ( -6.157 -3.118 -0.511) 6.921 5.907 ( -6.915 -9.320 8.802) 14.565 6.777 ( -4.774 0.798 -1.712) 5.134 7.624 ( -1.156 -2.673 -4.410) 5.284 7.842 ( 0.105 -0.210 0.732) 0.769 10.558 ( 8.231 5.354 0.869) 9.857 11.017 ( 0.883 -1.959 -1.617) 2.689 11.854 ( 17.361 5.076 -2.562) 18.268 14.009 ( -5.479 1.057 -0.195) 5.583 15.527 ( 2.322 4.789 2.283) 5.791 15.963 ( -3.717 -5.472 -1.580) 6.801======================= Grid point 569 (107/213) =======================q-point: (-0.38 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.497 ( -15.369 3.644 2.264) 15.957 2.757 ( -12.145 -4.105 -2.287) 13.023 3.630 ( -3.865 -4.327 -4.476) 7.327 3.747 ( -10.035 2.210 -3.257) 10.779 5.162 ( -12.119 -4.758 0.764) 13.042 5.647 ( -10.717 -11.184 8.427) 17.634 6.686 ( -6.161 -0.356 -1.491) 6.349 7.561 ( -2.688 -3.322 -6.225) 7.551 7.809 ( -2.053 -2.812 -1.942) 3.986 10.789 ( 11.835 6.584 0.150) 13.544 11.089 ( 8.061 2.219 1.014) 8.422 12.229 ( 20.623 4.999 -3.615) 21.526 13.915 ( -5.922 -0.311 -0.213) 5.934 15.616 ( 1.366 6.995 2.569) 7.576 15.847 ( -3.871 -5.746 -0.151) 6.930======================= Grid point 570 (108/213) =======================q-point: (-0.31 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( -17.790 1.695 6.527) 19.025 2.486 ( -15.064 -5.200 2.209) 16.089 3.479 ( -8.681 -4.976 -8.326) 13.017 3.570 ( -11.817 0.084 -5.005) 12.833 4.824 ( -21.158 -7.616 4.758) 22.985 5.391 ( -6.963 -8.719 3.789) 11.784 6.571 ( -6.492 -0.969 -1.221) 6.677 7.456 ( -6.405 -4.252 -7.633) 10.833 7.750 ( 0.358 -3.542 -4.350) 5.621 11.064 ( 13.426 5.469 -0.174) 14.498 11.332 ( 15.416 6.536 4.916) 17.451 12.624 ( 21.564 2.401 -6.041) 22.522 13.816 ( -5.111 -0.396 -0.566) 5.158 15.699 ( -4.326 -0.310 14.067) 14.720 15.719 ( -1.209 3.187 -9.218) 9.828======================= Grid point 571 (109/213) =======================q-point: (-0.25 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -18.386 0.340 11.334) 21.601 2.142 ( -19.233 -5.971 7.197) 21.386 3.232 ( -15.309 -4.297 -7.495) 17.578 3.378 ( -9.697 -1.706 -5.083) 11.080 4.330 ( -27.059 -8.313 7.238) 29.218 5.251 ( -1.996 -5.315 -3.613) 6.729 6.456 ( -5.841 -1.083 -0.953) 6.016 7.245 ( -12.617 -5.688 -10.098) 17.132 7.799 ( 9.186 -1.693 -2.310) 9.622 11.331 ( 12.809 3.204 0.336) 13.207 11.712 ( 20.167 8.591 8.557) 23.532 12.984 ( 20.829 -2.686 -9.221) 22.937 13.747 ( -3.277 1.212 -1.585) 3.837 15.490 ( -11.065 -8.839 3.601) 14.613 15.833 ( 0.868 13.184 3.865) 13.766======================= Grid point 572 (110/213) =======================q-point: (-0.19 0.06 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( -17.264 0.292 16.237) 23.702 1.746 ( -20.491 -4.639 13.788) 25.129 2.890 ( -20.897 -3.099 4.442) 21.588 3.214 ( -7.152 -2.710 -6.920) 10.314 3.802 ( -26.786 -4.654 4.122) 27.498 5.206 ( 1.143 -3.048 -11.140) 11.605 6.358 ( -4.542 -0.866 -0.737) 4.682 6.941 ( -16.644 -5.186 -11.391) 20.825 8.045 ( 21.832 -0.003 4.172) 22.227 11.541 ( 9.926 -0.066 1.334) 10.015 12.141 ( 19.484 8.605 9.603) 23.365 13.254 ( 17.754 -9.134 -11.202) 22.893 13.732 ( -1.157 3.149 -3.427) 4.796 15.150 ( -18.557 -9.551 2.373) 21.005 16.012 ( 4.227 15.472 6.865) 17.447======================= Grid point 577 (111/213) =======================q-point: ( 0.12 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 12.306 15.975 12.997) 23.991 2.074 ( 9.757 18.537 8.165) 22.483 3.211 ( 9.248 11.975 -7.149) 16.734 3.355 ( 6.705 12.061 -5.892) 15.005 4.250 ( 14.431 23.987 8.121) 29.148 5.140 ( -5.787 1.743 -5.437) 8.129 6.443 ( 2.798 5.537 -0.775) 6.252 7.163 ( 4.801 12.961 -10.643) 17.445 7.725 ( -11.042 -7.759 -1.079) 13.538 11.346 ( -7.397 -9.672 0.133) 12.177 11.817 ( -10.811 -20.551 10.331) 25.416 12.883 ( -13.126 -12.377 -8.986) 20.155 13.780 ( 2.557 1.071 -2.460) 3.706 15.314 ( -1.618 14.125 4.257) 14.841 16.137 ( 13.514 -9.036 2.514) 16.450======================= Grid point 578 (112/213) =======================q-point: ( 0.19 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 10.530 17.091 10.036) 22.444 2.414 ( 11.055 14.706 3.968) 18.821 3.391 ( 3.731 7.632 -6.437) 10.659 3.694 ( 15.352 12.402 -13.112) 23.694 4.724 ( 15.735 19.927 10.601) 27.515 5.060 ( -5.812 3.352 0.107) 6.710 6.555 ( 3.385 6.584 -0.858) 7.453 7.336 ( 3.401 6.941 -8.493) 11.484 7.543 ( -5.959 1.287 -3.903) 7.239 11.113 ( -8.668 -9.699 -0.782) 13.032 11.437 ( -12.830 -14.588 6.884) 20.611 12.562 ( -10.138 -14.536 -5.438) 18.537 13.849 ( 3.347 3.260 -1.315) 4.854 15.381 ( -3.489 9.173 3.554) 10.437 16.253 ( 10.124 -8.912 1.035) 13.527======================= Grid point 579 (113/213) =======================q-point: ( 0.25 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.651 ( 6.499 16.916 5.963) 19.077 2.722 ( 10.577 11.059 0.940) 15.332 3.523 ( 4.121 6.204 -3.178) 8.098 4.016 ( 8.378 9.069 -15.648) 19.932 5.021 ( -0.004 6.978 6.201) 9.335 5.175 ( 15.413 12.545 8.287) 21.532 6.678 ( 3.089 7.226 -0.992) 7.921 7.390 ( -0.066 2.100 -3.257) 3.876 7.568 ( 1.783 6.912 -6.331) 9.541 10.879 ( -8.995 -7.920 -1.298) 12.055 11.131 ( -9.016 -9.342 3.268) 13.388 12.248 ( -10.036 -15.433 -2.783) 18.619 13.953 ( 3.679 5.543 -0.558) 6.677 15.389 ( -3.807 5.824 2.471) 7.384 16.298 ( 5.661 -9.189 0.189) 10.795======================= Grid point 580 (114/213) =======================q-point: ( 0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( 0.901 15.007 1.266) 15.087 2.986 ( 9.709 8.138 -1.243) 12.730 3.643 ( 4.042 3.536 0.547) 5.398 4.122 ( -5.265 9.491 -10.026) 14.775 5.151 ( 7.702 5.222 1.948) 9.507 5.531 ( 14.689 6.996 9.077) 18.631 6.792 ( 1.856 7.301 -1.142) 7.619 7.434 ( 2.620 2.807 0.614) 3.889 7.668 ( 2.487 5.389 -5.599) 8.159 10.657 ( -8.989 -5.941 -0.602) 10.791 10.971 ( -1.871 -4.589 0.145) 4.958 11.929 ( -10.128 -14.758 -1.546) 17.966 14.070 ( 2.387 7.303 -0.289) 7.688 15.379 ( -2.504 3.793 1.966) 4.952 16.269 ( 1.718 -9.232 -0.828) 9.427======================= Grid point 581 (115/213) =======================q-point: ( 0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.975 ( -3.699 11.647 -1.710) 12.339 3.198 ( 6.759 6.203 -3.436) 9.797 3.698 ( -0.351 0.141 3.155) 3.178 4.097 ( -8.809 12.849 -4.018) 16.089 5.322 ( 7.140 2.203 -0.575) 7.494 5.791 ( 11.713 0.113 7.779) 14.061 6.875 ( -0.236 6.650 -1.317) 6.784 7.518 ( 4.362 1.305 2.730) 5.309 7.752 ( 1.843 4.463 -3.467) 5.944 10.483 ( -5.724 -3.248 0.147) 6.583 10.964 ( 3.548 -1.286 -1.395) 4.023 11.639 ( -7.899 -12.189 -1.432) 14.595 14.161 ( -0.663 7.728 -0.333) 7.764 15.389 ( -0.122 3.124 1.969) 3.695 16.185 ( -1.029 -8.876 -1.820) 9.119======================= Grid point 582 (116/213) =======================q-point: ( 0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.983 ( -6.686 8.672 -2.050) 11.141 3.301 ( -2.417 5.188 -5.790) 8.141 3.657 ( -1.993 -1.186 4.405) 4.979 4.089 ( -7.321 12.266 -1.359) 14.349 5.413 ( 2.438 -0.329 -1.024) 2.665 5.915 ( 6.197 -6.111 6.934) 11.128 6.908 ( -2.790 5.214 -1.447) 6.088 7.586 ( 3.375 -1.440 1.238) 3.873 7.815 ( 0.977 3.455 -0.126) 3.593 10.417 ( -0.126 0.241 0.398) 0.482 11.016 ( 2.423 -2.132 -1.558) 3.584 11.481 ( 1.828 -5.712 -1.741) 6.245 14.188 ( -4.338 6.366 -0.365) 7.712 15.440 ( 2.148 3.986 1.883) 4.904 16.071 ( -2.352 -8.193 -2.185) 8.800======================= Grid point 584 (117/213) =======================q-point: (-0.50 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.925 ( -9.104 6.852 -0.508) 11.406 3.201 ( -13.691 4.213 -4.339) 14.967 3.643 ( 1.700 -2.556 1.476) 3.407 4.064 ( -8.802 9.695 -1.775) 13.214 5.400 ( -2.595 -1.818 -0.852) 3.281 5.876 ( -1.021 -10.697 7.259) 12.968 6.882 ( -5.193 3.350 -1.432) 6.343 7.598 ( 0.809 -3.213 -1.995) 3.867 7.845 ( -0.281 0.958 1.624) 1.906 10.484 ( 5.733 3.448 0.145) 6.692 10.985 ( -0.573 -3.914 -1.393) 4.193 11.612 ( 14.468 0.993 -1.504) 14.580 14.141 ( -7.023 3.896 -0.246) 8.035 15.535 ( 3.196 5.978 1.122) 6.871 15.953 ( -2.604 -7.428 -1.245) 7.969======================= Grid point 585 (118/213) =======================q-point: (-0.44 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( -12.599 6.180 2.723) 14.295 2.967 ( -16.612 1.522 -2.359) 16.847 3.629 ( -0.536 -3.483 -2.756) 4.473 3.975 ( -11.509 7.091 -4.048) 14.111 5.295 ( -7.534 -2.207 -0.228) 7.854 5.683 ( -7.544 -13.285 8.298) 17.386 6.803 ( -6.919 1.628 -1.289) 7.224 7.558 ( -1.199 -3.885 -4.456) 6.032 7.818 ( -2.217 -2.207 -0.026) 3.128 10.662 ( 9.996 4.877 -0.644) 11.141 10.985 ( 4.659 -1.072 0.103) 4.782 11.922 ( 19.415 1.928 -1.653) 19.581 14.038 ( -7.961 1.660 -0.194) 8.134 15.658 ( 3.090 8.091 -0.990) 8.717 15.840 ( -2.784 -6.554 1.891) 7.367======================= Grid point 586 (119/213) =======================q-point: (-0.38 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.604 ( -19.049 5.803 7.137) 21.153 2.697 ( -14.825 -1.851 -0.670) 14.955 3.551 ( -4.731 -3.272 -6.470) 8.657 3.816 ( -14.126 4.726 -7.110) 16.505 5.089 ( -15.424 -2.324 2.515) 15.799 5.408 ( -7.896 -12.950 7.194) 16.787 6.688 ( -7.658 0.402 -1.086) 7.745 7.490 ( -2.524 -3.808 -6.172) 7.679 7.733 ( -3.315 -4.759 -3.146) 6.598 10.891 ( 12.025 3.402 -1.436) 12.579 11.140 ( 12.610 2.797 3.284) 13.328 12.275 ( 20.784 0.148 -2.983) 20.997 13.919 ( -7.137 0.675 -0.523) 7.188 15.706 ( -2.577 -7.872 -2.489) 8.649 15.812 ( 0.997 12.053 5.232) 13.177======================= Grid point 587 (120/213) =======================q-point: (-0.31 0.12 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( -21.047 3.266 9.562) 23.347 2.414 ( -17.338 -2.058 3.847) 17.879 3.409 ( -8.993 -1.958 -8.704) 12.667 3.599 ( -15.808 2.866 -8.313) 18.089 4.717 ( -24.751 -2.927 7.654) 26.073 5.216 ( -2.348 -8.909 1.114) 9.280 6.561 ( -7.346 -0.246 -0.894) 7.404 7.377 ( -7.701 -3.446 -8.354) 11.873 7.659 ( 2.213 -5.665 -4.096) 7.332 11.129 ( 13.379 1.161 -0.860) 13.457 11.440 ( 18.643 3.497 6.705) 20.119 12.608 ( 19.964 -2.790 -5.534) 20.904 13.824 ( -4.881 1.111 -1.389) 5.195 15.548 ( -6.342 -8.950 2.679) 11.292 15.966 ( 1.026 15.219 2.285) 15.424======================= Grid point 595 (121/213) =======================q-point: ( 0.19 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( 9.204 13.537 6.081) 17.462 2.691 ( 9.892 16.537 3.426) 19.572 3.517 ( 2.551 4.982 -6.149) 8.315 3.922 ( 13.256 11.177 -12.038) 21.108 5.084 ( 11.043 15.140 6.036) 19.687 5.169 ( -7.138 9.155 5.685) 12.926 6.692 ( 3.913 7.265 -0.813) 8.292 7.425 ( -1.201 3.183 -5.444) 6.419 7.637 ( -1.542 6.804 -4.394) 8.245 10.919 ( -6.207 -9.972 -1.939) 11.905 11.171 ( -7.543 -12.510 4.037) 15.156 12.262 ( -10.345 -16.242 -2.466) 19.414 13.937 ( 4.568 5.792 -0.748) 7.414 15.538 ( -6.015 7.018 0.953) 9.292 16.070 ( 9.873 -9.660 1.833) 13.934======================= Grid point 596 (122/213) =======================q-point: ( 0.25 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.916 ( 8.388 8.994 -0.262) 12.301 2.996 ( 4.393 17.936 5.388) 19.236 3.603 ( 3.855 2.093 -1.978) 4.812 4.215 ( 7.285 11.132 -11.945) 17.880 5.155 ( -2.097 6.790 4.081) 8.195 5.392 ( 10.348 9.038 7.077) 15.454 6.827 ( 3.202 7.814 -0.703) 8.474 7.437 ( -0.061 2.444 -2.025) 3.174 7.700 ( 0.694 6.549 -3.350) 7.388 10.725 ( -6.785 -7.971 -2.099) 10.676 10.971 ( -4.303 -6.638 1.569) 8.065 11.940 ( -9.321 -16.062 -0.637) 18.582 14.084 ( 4.688 7.785 -0.319) 9.093 15.494 ( -5.789 5.017 0.188) 7.663 16.107 ( 6.008 -10.187 0.914) 11.862======================= Grid point 597 (123/213) =======================q-point: ( 0.31 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.112 ( 3.984 7.074 -3.464) 8.827 3.183 ( 1.071 13.986 3.894) 14.557 3.686 ( 3.216 1.651 3.219) 4.840 4.360 ( -4.263 14.063 -8.356) 16.904 5.233 ( 4.973 3.261 1.273) 6.082 5.607 ( 9.586 0.608 5.657) 11.148 6.943 ( 1.195 7.993 -0.632) 8.106 7.470 ( 2.052 0.584 0.615) 2.220 7.777 ( 1.187 5.726 -1.194) 5.969 10.543 ( -6.199 -5.783 -1.300) 8.577 10.907 ( 1.196 -1.714 -0.304) 2.112 11.642 ( -8.020 -14.506 -0.085) 16.575 14.230 ( 2.459 8.819 -0.314) 9.161 15.455 ( -3.702 4.029 0.395) 5.486 16.078 ( 2.543 -10.139 -0.329) 10.458======================= Grid point 598 (124/213) =======================q-point: ( 0.38 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( -4.759 6.681 -2.748) 8.650 3.343 ( 4.143 8.353 0.875) 9.364 3.712 ( -2.930 1.791 5.939) 6.861 4.377 ( -9.780 15.441 -5.560) 19.104 5.347 ( 5.301 0.513 -0.962) 5.411 5.725 ( 7.975 -6.878 4.663) 11.518 7.012 ( -1.996 7.222 -0.727) 7.528 7.510 ( 3.320 -2.080 1.322) 4.135 7.844 ( 0.486 4.578 1.401) 4.812 10.428 ( -2.224 -2.455 -0.892) 3.431 10.951 ( 3.574 0.117 -0.653) 3.635 11.414 ( -3.132 -10.703 -0.397) 11.159 14.318 ( -2.125 8.003 -0.502) 8.296 15.461 ( -0.137 4.431 0.848) 4.514 16.003 ( 0.162 -9.596 -1.240) 9.677======================= Grid point 599 (125/213) =======================q-point: (-0.56 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.112 ( -7.056 4.546 -1.886) 8.603 3.453 ( -2.771 9.168 0.333) 9.584 3.623 ( -5.894 -2.004 5.266) 8.154 4.344 ( -10.960 13.605 -5.018) 18.177 5.400 ( 1.015 -0.789 -1.153) 1.727 5.739 ( 4.221 -11.427 4.705) 13.059 7.012 ( -5.140 5.160 -0.809) 7.328 7.535 ( 2.713 -3.491 0.085) 4.422 7.873 ( -1.124 2.194 2.805) 3.734 10.429 ( 3.306 0.748 -0.892) 3.505 10.964 ( -1.034 -2.859 -0.572) 3.094 11.398 ( 9.710 -2.874 -0.496) 10.139 14.307 ( -6.807 5.480 -0.441) 8.750 15.538 ( 3.043 5.869 0.302) 6.618 15.906 ( -0.988 -8.436 -0.825) 8.534======================= Grid point 600 (126/213) =======================q-point: (-0.50 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( -8.681 3.013 -0.881) 9.231 3.330 ( -18.836 6.373 5.054) 20.517 3.584 ( 2.182 -2.370 -1.401) 3.513 4.265 ( -12.592 10.423 -6.189) 17.479 5.366 ( -3.267 -1.948 -0.369) 3.822 5.642 ( -2.282 -12.101 6.079) 13.733 6.944 ( -7.219 2.707 -0.813) 7.753 7.528 ( 0.493 -3.688 -1.895) 4.176 7.846 ( -2.881 -0.844 1.693) 3.447 10.545 ( 8.185 2.449 -1.313) 8.644 10.921 ( 0.742 -2.483 -0.260) 2.604 11.626 ( 16.926 0.445 -0.175) 16.933 14.208 ( -9.283 2.839 -0.218) 9.710 15.657 ( 3.853 3.943 -3.349) 6.450 15.822 ( -0.825 -3.528 3.191) 4.828======================= Grid point 601 (127/213) =======================q-point: (-0.44 0.19 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( -11.129 1.804 0.675) 11.294 3.030 ( -20.891 2.199 5.754) 21.781 3.580 ( -1.381 -0.719 -4.355) 4.625 4.121 ( -14.635 7.324 -8.738) 18.552 5.262 ( -6.368 -2.222 0.587) 6.770 5.430 ( -9.571 -10.418 8.478) 16.493 6.829 ( -8.218 0.804 -0.809) 8.297 7.484 ( -1.345 -3.408 -3.689) 5.199 7.762 ( -4.545 -3.346 -1.440) 5.825 10.728 ( 10.458 1.620 -2.144) 10.798 10.976 ( 7.831 -0.120 1.596) 7.993 11.939 ( 19.265 0.194 -0.696) 19.279 14.068 ( -9.261 1.308 -0.270) 9.357 15.653 ( -0.604 -8.025 -3.008) 8.591 15.891 ( 3.127 10.946 4.013) 12.070======================= Grid point 612 (128/213) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( 6.916 6.744 -1.431) 9.765 3.328 ( 1.982 15.439 5.994) 16.680 3.617 ( 5.262 -0.065 0.987) 5.354 4.426 ( 10.696 10.031 -9.612) 17.533 5.278 ( -4.333 5.804 2.467) 7.652 5.513 ( 2.522 3.300 4.227) 5.926 6.974 ( 4.143 7.131 -0.347) 8.255 7.471 ( -1.462 0.850 -1.062) 1.997 7.817 ( 0.725 5.227 0.629) 5.315 10.569 ( -4.594 -7.800 -2.032) 9.278 10.893 ( -1.104 -1.184 0.236) 1.636 11.634 ( -8.237 -15.177 0.502) 17.276 14.244 ( 5.611 8.302 -0.248) 10.023 15.583 ( -6.191 3.984 -2.085) 7.652 15.915 ( 4.966 -9.082 1.998) 10.542======================= Grid point 613 (129/213) =======================q-point: ( 0.31 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.225 ( 3.970 5.176 -2.655) 7.043 3.398 ( -2.822 6.248 2.218) 7.206 3.745 ( 3.912 5.196 8.926) 11.045 4.638 ( -0.411 13.999 -8.565) 16.417 5.282 ( 1.217 2.029 0.875) 2.522 5.553 ( 3.814 -5.984 2.031) 7.381 7.096 ( 1.390 7.692 0.024) 7.816 7.451 ( 0.263 -2.521 0.565) 2.597 7.879 ( 0.783 4.441 2.908) 5.366 10.439 ( -3.104 -4.599 -1.900) 5.865 10.911 ( 2.282 2.177 -0.108) 3.156 11.376 ( -5.837 -12.715 0.691) 14.008 14.395 ( 2.358 7.718 -0.564) 8.090 15.537 ( -3.602 4.483 -0.680) 5.791 15.886 ( 2.375 -9.385 0.207) 9.683======================= Grid point 614 (130/213) =======================q-point: ( 0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.257 ( -5.010 4.031 -2.243) 6.810 3.447 ( 4.189 1.269 0.690) 4.431 3.786 ( -5.709 5.284 11.230) 13.661 4.677 ( -10.790 14.733 -7.345) 19.683 5.354 ( 4.255 0.546 -1.202) 4.455 5.536 ( 5.172 -11.857 1.778) 13.057 7.148 ( -3.966 6.547 0.038) 7.655 7.445 ( 3.220 -4.285 0.898) 5.435 7.916 ( -0.833 2.564 4.268) 5.048 10.390 ( 0.860 -1.423 -1.883) 2.512 10.968 ( -0.257 1.491 0.165) 1.522 11.236 ( 3.476 -7.229 0.378) 8.030 14.452 ( -3.442 5.301 -0.779) 6.368 15.560 ( 0.462 5.526 -0.095) 5.546 15.823 ( 0.958 -8.506 -0.435) 8.570======================= Grid point 616 (131/213) =======================q-point: (-0.56 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.181 ( -7.483 2.985 -1.730) 8.240 3.506 ( 2.084 -4.270 0.342) 4.764 3.671 ( -12.293 6.282 9.842) 16.955 4.589 ( -13.547 10.202 -8.133) 18.808 5.369 ( -0.784 -4.322 0.307) 4.403 5.530 ( 4.452 -6.379 2.225) 8.091 7.094 ( -7.287 2.754 -0.051) 7.790 7.467 ( 2.915 -2.857 0.026) 4.081 7.895 ( -3.132 0.076 3.572) 4.751 10.440 ( 5.573 0.324 -1.900) 5.897 10.919 ( -2.936 -1.555 -0.059) 3.323 11.366 ( 13.759 -0.466 0.631) 13.781 14.387 ( -8.243 2.488 -0.520) 8.626 15.624 ( 1.486 -0.199 -2.445) 2.868 15.791 ( 2.554 -0.301 1.889) 3.191======================= Grid point 630 (132/213) =======================q-point: ( 0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.319 ( 4.019 4.340 -1.469) 6.095 3.424 ( -3.331 -2.207 -0.208) 4.001 3.855 ( 3.050 4.193 13.490) 14.453 4.874 ( 6.513 8.851 -8.396) 13.830 5.324 ( -3.553 2.607 0.276) 4.415 5.398 ( -1.427 -8.569 -0.557) 8.705 7.234 ( 3.688 6.086 0.589) 7.141 7.378 ( -2.924 -4.509 0.792) 5.432 7.939 ( 0.722 1.541 5.045) 5.324 10.375 ( -1.045 -1.789 -2.306) 3.100 10.988 ( 2.815 5.335 0.406) 6.046 11.160 ( -4.873 -8.947 0.782) 10.218 14.508 ( 2.019 3.292 -0.954) 3.978 15.624 ( -0.323 3.858 -0.728) 3.939 15.730 ( -0.748 -5.811 0.249) 5.864======================= Grid point 813 (133/213) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 204Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 0.000 0.000 20.272) 20.272 1.660 ( 0.000 -0.000 20.272) 20.272 2.737 ( 0.000 -0.000 36.765) 36.765 2.814 ( 0.000 0.000 -10.778) 10.778 2.814 ( 0.000 -0.000 -10.778) 10.778 4.800 ( 0.000 -0.000 -24.890) 24.890 6.231 ( 0.000 0.000 -0.337) 0.337 6.231 ( 0.000 -0.000 -0.337) 0.337 10.075 ( 0.000 0.000 1.556) 1.556 11.829 ( 0.000 0.000 2.673) 2.673 11.829 ( 0.000 -0.000 2.673) 2.673 13.672 ( 0.000 0.000 -1.981) 1.981 13.672 ( 0.000 -0.000 -1.981) 1.981 14.276 ( -0.000 0.000 -0.486) 0.486 16.617 ( -0.000 0.000 0.481) 0.481======================= Grid point 814 (134/213) =======================q-point: ( 0.06 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( 4.726 2.729 22.383) 23.038 1.733 ( 5.341 3.083 18.767) 19.754 2.660 ( 0.121 0.070 8.183) 8.184 2.826 ( 1.812 1.046 -10.139) 10.353 3.129 ( 19.690 11.368 11.401) 25.435 4.816 ( 1.258 0.726 -22.520) 22.567 6.244 ( 1.250 0.722 -0.285) 1.472 6.328 ( 8.130 4.694 -1.621) 9.527 9.397 ( -44.455 -25.666 5.202) 51.595 11.769 ( -4.430 -2.558 3.094) 5.978 12.312 ( 26.143 15.094 -0.388) 30.190 13.486 ( -15.944 -9.205 -1.571) 18.477 13.693 ( 0.963 0.556 -2.456) 2.696 14.431 ( 13.445 7.762 -0.340) 15.528 16.522 ( -6.585 -3.802 1.161) 7.692======================= Grid point 815 (135/213) =======================q-point: ( 0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 10.808 6.240 22.832) 26.020 1.889 ( 8.310 4.798 15.591) 18.308 2.753 ( 7.709 4.451 -5.971) 10.719 2.896 ( 4.385 2.532 -8.493) 9.888 3.639 ( 25.067 14.472 12.857) 31.672 4.852 ( 1.933 1.116 -16.117) 16.271 6.287 ( 2.609 1.506 -0.313) 3.028 6.564 ( 12.172 7.028 -3.553) 14.497 8.460 ( -36.312 -20.965 5.206) 42.252 11.634 ( -7.556 -4.363 2.774) 9.156 12.665 ( 2.943 1.699 6.931) 7.720 13.006 ( -23.141 -13.360 -6.904) 27.598 13.717 ( 1.276 0.736 -2.368) 2.789 14.807 ( 17.445 10.072 1.561) 20.205 16.406 ( -2.711 -1.565 -1.140) 3.332======================= Grid point 816 (136/213) =======================q-point: ( 0.19 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( 9.523 5.498 10.929) 15.504 2.157 ( 13.518 7.805 18.565) 24.255 2.988 ( 12.964 7.485 -15.991) 21.904 3.022 ( 6.865 3.963 -5.584) 9.696 4.224 ( 26.458 15.275 12.122) 32.868 4.898 ( 2.142 1.237 -7.571) 7.964 6.360 ( 3.836 2.215 -0.415) 4.449 6.846 ( 12.494 7.214 -4.453) 15.099 7.811 ( -21.611 -12.477 2.923) 25.125 11.434 ( -10.156 -5.864 1.984) 11.894 12.263 ( -28.179 -16.269 10.165) 34.089 12.774 ( -5.111 -2.951 -7.970) 9.917 13.754 ( 2.040 1.178 -1.880) 3.014 15.126 ( 10.417 6.014 4.231) 12.751 16.399 ( 1.337 0.772 -5.074) 5.303======================= Grid point 817 (137/213) =======================q-point: ( 0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( 8.719 5.034 5.317) 11.386 2.450 ( 12.203 7.045 10.936) 17.837 3.201 ( 9.059 5.230 -1.777) 10.611 3.312 ( 15.057 8.693 -19.342) 26.008 4.791 ( 22.004 12.704 8.737) 26.868 4.963 ( 5.668 3.273 2.759) 7.103 6.456 ( 4.650 2.685 -0.563) 5.399 7.109 ( 10.738 6.199 -4.303) 13.125 7.478 ( -8.568 -4.947 2.229) 10.142 11.186 ( -11.773 -6.797 1.189) 13.646 11.671 ( -23.280 -13.441 5.681) 27.476 12.604 ( -9.963 -5.752 -3.971) 12.171 13.810 ( 2.976 1.718 -1.289) 3.670 15.284 ( 4.297 2.481 4.981) 7.030 16.430 ( 0.774 0.447 -6.956) 7.014======================= Grid point 818 (138/213) =======================q-point: ( 0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.473 ( 6.430 3.712 0.267) 7.429 2.699 ( 10.052 5.804 3.045) 12.000 3.420 ( 10.140 5.854 1.500) 11.804 3.608 ( 10.145 5.857 -16.096) 19.908 5.012 ( 6.022 3.477 2.747) 7.477 5.357 ( 21.213 12.248 11.869) 27.219 6.563 ( 4.754 2.745 -0.728) 5.538 7.322 ( 8.155 4.708 -3.293) 9.976 7.401 ( 1.073 0.619 3.033) 3.276 10.918 ( -11.789 -6.806 0.765) 13.634 11.246 ( -14.442 -8.338 2.216) 16.823 12.339 ( -13.420 -7.748 -2.629) 15.718 13.884 ( 3.505 2.024 -0.825) 4.131 15.346 ( 1.746 1.008 4.578) 5.002 16.417 ( -1.968 -1.136 -7.240) 7.588======================= Grid point 819 (139/213) =======================q-point: ( 0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( 3.771 2.177 -2.874) 5.217 2.898 ( 7.470 4.313 -3.340) 9.250 3.640 ( 9.056 5.228 3.062) 10.896 3.743 ( 2.237 1.291 -7.740) 8.160 5.179 ( 8.359 4.826 1.958) 9.849 5.784 ( 16.471 9.510 10.451) 21.702 6.662 ( 3.987 2.302 -0.913) 4.693 7.473 ( 5.185 2.993 -4.664) 7.589 7.495 ( 6.723 3.881 6.289) 9.991 10.673 ( -9.728 -5.616 0.789) 11.260 11.025 ( -5.398 -3.117 -0.253) 6.238 12.018 ( -14.744 -8.512 -2.370) 17.189 13.960 ( 3.144 1.815 -0.541) 3.671 15.379 ( 1.365 0.788 4.031) 4.328 16.344 ( -4.381 -2.530 -6.698) 8.394======================= Grid point 820 (140/213) =======================q-point: ( 0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( 1.282 0.740 -4.048) 4.310 3.019 ( 2.978 1.720 -7.655) 8.392 3.751 ( -0.542 -0.313 0.411) 0.749 3.809 ( 5.760 3.326 3.100) 7.339 5.347 ( 5.891 3.401 0.153) 6.804 6.082 ( 9.887 5.708 8.432) 14.192 6.735 ( 2.391 1.381 -1.140) 2.987 7.559 ( 2.473 1.428 -4.957) 5.720 7.663 ( 7.506 4.334 6.564) 10.873 10.497 ( -5.582 -3.223 1.050) 6.531 10.989 ( 1.592 0.919 -1.339) 2.274 11.705 ( -12.372 -7.143 -2.579) 14.517 14.017 ( 1.793 1.035 -0.360) 2.101 15.413 ( 1.731 1.000 3.371) 3.920 16.233 ( -5.254 -3.033 -5.206) 7.994======================= Grid point 821 (141/213) =======================q-point: (-0.50 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( -1.039 -0.600 -3.669) 3.860 3.024 ( -2.313 -1.335 -7.645) 8.098 3.745 ( 0.031 0.018 3.246) 3.247 3.888 ( 1.178 0.680 2.241) 2.621 5.424 ( 0.798 0.461 -0.803) 1.222 6.217 ( 1.977 1.141 6.294) 6.695 6.765 ( 0.226 0.131 -1.379) 1.403 7.585 ( -0.113 -0.065 -4.885) 4.887 7.802 ( 4.375 2.526 3.883) 6.371 10.433 ( -0.038 -0.022 1.225) 1.226 11.037 ( 0.681 0.393 -1.807) 1.971 11.532 ( -0.886 -0.511 -2.361) 2.573 14.036 ( -0.211 -0.122 -0.189) 0.308 15.454 ( 1.850 1.068 2.099) 2.995 16.123 ( -4.273 -2.467 -2.210) 5.407======================= Grid point 823 (142/213) =======================q-point: (-0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( -3.260 -1.882 -2.007) 4.266 2.934 ( -5.279 -3.048 -4.334) 7.479 3.733 ( -1.649 -0.952 1.619) 2.499 3.862 ( -3.466 -2.001 0.798) 4.081 5.385 ( -4.090 -2.361 -1.348) 4.912 6.168 ( -6.293 -3.633 4.526) 8.561 6.745 ( -2.048 -1.183 -1.531) 2.817 7.557 ( -2.283 -1.318 -5.095) 5.736 7.847 ( -0.391 -0.226 -0.532) 0.698 10.497 ( 5.649 3.261 1.083) 6.612 11.004 ( -1.690 -0.976 -2.044) 2.826 11.684 ( 12.549 7.245 -1.734) 14.593 14.008 ( -2.255 -1.302 0.035) 2.605 15.492 ( 1.458 0.842 -0.244) 1.701 16.049 ( -2.287 -1.320 2.564) 3.680======================= Grid point 824 (143/213) =======================q-point: (-0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.500 ( -5.357 -3.093 0.770) 6.233 2.801 ( -6.428 -3.711 -0.639) 7.450 3.647 ( -6.444 -3.721 -1.445) 7.580 3.740 ( -7.170 -4.139 -1.133) 8.356 5.249 ( -7.823 -4.516 -1.145) 9.105 5.945 ( -13.147 -7.590 2.898) 15.455 6.677 ( -3.867 -2.232 -1.521) 4.717 7.488 ( -3.701 -2.137 -5.667) 7.098 7.790 ( -4.394 -2.537 -5.080) 7.180 10.677 ( 10.170 5.872 0.604) 11.759 11.034 ( 5.195 2.999 -0.775) 6.049 12.019 ( 16.316 9.420 -2.455) 18.999 13.939 ( -3.725 -2.150 0.324) 4.313 15.519 ( 1.003 0.579 -3.163) 3.368 16.014 ( -1.042 -0.602 8.146) 8.234======================= Grid point 825 (144/213) =======================q-point: (-0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( -7.194 -4.153 4.479) 9.437 2.646 ( -7.539 -4.352 3.860) 9.522 3.439 ( -11.816 -6.822 -5.882) 14.858 3.552 ( -9.319 -5.380 -3.440) 11.297 5.032 ( -11.935 -6.891 1.560) 13.870 5.608 ( -15.943 -9.205 -0.082) 18.409 6.578 ( -4.800 -2.771 -1.359) 5.707 7.387 ( -5.882 -3.396 -6.623) 9.486 7.683 ( -3.878 -2.239 -7.653) 8.867 10.937 ( 12.646 7.301 -0.022) 14.602 11.252 ( 14.120 8.152 1.807) 16.404 12.387 ( 16.133 9.315 -4.814) 19.241 13.848 ( -4.217 -2.435 0.631) 4.910 15.534 ( 0.041 0.024 -5.839) 5.839 15.991 ( -1.108 -0.640 13.135) 13.198======================= Grid point 826 (145/213) =======================q-point: (-0.25 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( -8.462 -4.886 8.838) 13.175 2.453 ( -9.947 -5.743 11.168) 16.020 3.145 ( -13.502 -7.795 -11.592) 19.428 3.336 ( -9.658 -5.576 -5.893) 12.613 4.685 ( -19.463 -11.237 7.349) 23.645 5.281 ( -12.456 -7.191 -5.860) 15.530 6.469 ( -4.756 -2.746 -1.113) 5.603 7.195 ( -11.314 -6.532 -7.651) 15.140 7.687 ( 5.290 3.054 -6.629) 9.014 11.226 ( 12.752 7.362 -0.465) 14.732 11.651 ( 20.770 11.991 5.697) 24.650 12.730 ( 14.251 8.228 -8.964) 18.739 13.758 ( -3.650 -2.107 0.813) 4.292 15.495 ( -4.497 -2.596 -7.102) 8.798 15.974 ( 0.261 0.151 15.763) 15.766======================= Grid point 827 (146/213) =======================q-point: (-0.19 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( -8.610 -4.971 13.358) 16.651 2.198 ( -12.454 -7.190 19.336) 24.097 2.873 ( -10.232 -5.907 -13.737) 18.118 3.131 ( -8.365 -4.830 -8.132) 12.626 4.178 ( -24.800 -14.318 11.570) 30.886 5.052 ( -8.226 -4.749 -11.569) 14.969 6.370 ( -3.956 -2.284 -0.857) 4.648 6.902 ( -14.217 -8.208 -6.962) 17.831 7.944 ( 18.106 10.453 -2.774) 21.090 11.493 ( 10.675 6.163 -0.372) 12.332 12.131 ( 20.347 11.748 10.162) 25.599 13.026 ( 12.351 7.131 -13.914) 19.925 13.690 ( -2.278 -1.315 0.644) 2.708 15.288 ( -14.379 -8.302 -4.609) 17.231 16.037 ( 5.787 3.341 12.967) 14.587======================= Grid point 828 (147/213) =======================q-point: (-0.12 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( -7.014 -4.049 17.291) 19.094 1.928 ( -10.738 -6.200 23.049) 26.172 2.696 ( -5.494 -3.172 -6.893) 9.369 2.968 ( -6.062 -3.500 -9.778) 12.025 3.614 ( -24.644 -14.228 13.882) 31.662 4.904 ( -5.103 -2.946 -17.441) 18.409 6.295 ( -2.753 -1.589 -0.633) 3.241 6.584 ( -13.508 -7.799 -4.615) 16.267 8.518 ( 33.355 19.257 2.587) 38.601 11.694 ( 7.097 4.097 0.411) 8.205 12.448 ( 4.840 2.795 8.828) 10.448 13.302 ( 12.614 7.283 -13.034) 19.546 13.658 ( -0.686 -0.396 -0.028) 0.793 14.870 ( -21.531 -12.431 -2.009) 24.943 16.233 ( 11.188 6.459 7.964) 15.176======================= Grid point 829 (148/213) =======================q-point: (-0.06 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 544Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -3.514 -2.029 19.789) 20.201 1.739 ( -5.984 -3.455 21.790) 22.859 2.641 ( 1.126 0.650 6.485) 6.614 2.862 ( -3.424 -1.977 -10.651) 11.362 3.112 ( -19.240 -11.108 13.277) 25.881 4.823 ( -2.178 -1.258 -22.693) 22.832 6.248 ( -1.428 -0.824 -0.457) 1.711 6.328 ( -8.488 -4.901 -1.688) 9.946 9.407 ( 43.241 24.965 4.726) 50.154 11.807 ( 2.987 1.725 1.619) 3.810 12.252 ( -21.769 -12.568 1.884) 25.207 13.564 ( 9.452 5.457 -4.950) 11.984 13.656 ( 0.450 0.260 -1.047) 1.169 14.436 ( -14.390 -8.308 -0.636) 16.628 16.492 ( 10.261 5.924 2.820) 12.179======================= Grid point 831 (149/213) =======================q-point: ( 0.06 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 6.142 6.830 19.555) 21.605 1.858 ( 4.302 9.552 20.889) 23.369 2.684 ( 4.236 3.520 -3.226) 6.383 2.908 ( 0.569 6.388 -9.410) 11.388 3.479 ( 14.594 23.212 13.512) 30.567 4.858 ( 0.411 3.768 -18.582) 18.964 6.277 ( 1.167 2.636 -0.438) 2.916 6.498 ( 6.427 12.202 -3.468) 14.221 8.710 ( -23.896 -37.711 4.702) 44.892 11.704 ( -5.842 -5.105 1.907) 7.989 12.541 ( 10.085 2.647 4.878) 11.511 13.253 ( -19.357 -13.552 -6.558) 24.522 13.687 ( 2.314 -0.540 -2.256) 3.277 14.727 ( 10.134 21.209 -0.204) 23.507 16.364 ( 0.130 -10.908 3.038) 11.323======================= Grid point 832 (150/213) =======================q-point: ( 0.12 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 9.745 8.842 14.893) 19.874 2.063 ( 7.869 11.654 19.000) 23.638 2.848 ( 9.570 5.860 -12.311) 16.658 3.013 ( 3.244 8.811 -7.781) 12.194 4.001 ( 20.497 21.855 12.534) 32.479 4.905 ( 0.352 4.264 -11.475) 12.247 6.339 ( 2.383 3.752 -0.447) 4.467 6.751 ( 9.183 11.685 -4.781) 15.612 8.026 ( -21.591 -21.145 2.631) 30.335 11.526 ( -8.192 -7.127 1.697) 10.990 12.468 ( -13.392 -20.294 13.679) 27.898 12.839 ( -11.080 -5.199 -12.427) 17.442 13.722 ( 2.353 0.190 -2.234) 3.251 15.080 ( 7.966 16.281 2.556) 18.305 16.319 ( 4.435 -6.606 -1.129) 8.037======================= Grid point 833 (151/213) =======================q-point: ( 0.19 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 7.318 10.910 8.409) 15.598 2.336 ( 10.733 10.333 14.171) 20.562 3.095 ( 11.266 6.224 -11.237) 17.086 3.203 ( 8.450 11.629 -10.936) 18.062 4.563 ( 21.978 18.958 11.257) 31.131 4.951 ( 0.530 4.029 -3.394) 5.295 6.428 ( 3.226 4.776 -0.528) 5.788 7.013 ( 9.284 9.518 -4.940) 14.184 7.595 ( -12.461 -8.784 1.282) 15.300 11.295 ( -10.001 -8.577 1.015) 13.214 11.916 ( -22.974 -18.590 7.775) 30.558 12.665 ( -6.187 -8.211 -5.573) 11.694 13.776 ( 3.079 1.483 -1.671) 3.804 15.286 ( 2.179 9.374 4.635) 10.682 16.356 ( 5.408 -4.707 -4.925) 8.698======================= Grid point 834 (152/213) =======================q-point: ( 0.25 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 4.380 11.526 3.199) 12.739 2.599 ( 9.679 8.217 6.456) 14.244 3.328 ( 9.184 7.416 -2.075) 11.985 3.502 ( 11.623 10.848 -16.135) 22.652 4.979 ( 3.393 6.354 1.754) 7.413 5.123 ( 19.929 12.530 11.175) 26.058 6.535 ( 3.468 5.445 -0.646) 6.487 7.238 ( 7.953 6.668 -3.981) 11.116 7.424 ( -3.253 -0.201 1.702) 3.677 11.034 ( -10.674 -8.720 0.394) 13.789 11.418 ( -17.546 -12.458 3.959) 21.880 12.440 ( -9.472 -10.790 -2.942) 14.657 13.854 ( 3.427 3.117 -1.086) 4.758 15.362 ( -0.547 4.885 4.740) 6.828 16.382 ( 2.770 -4.967 -6.371) 8.540======================= Grid point 835 (153/213) =======================q-point: ( 0.31 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 0.978 11.186 -0.545) 11.242 2.820 ( 7.954 6.671 -0.193) 10.383 3.549 ( 8.590 6.674 1.215) 10.946 3.737 ( 4.473 8.064 -11.510) 14.748 5.099 ( 6.097 5.126 2.901) 8.478 5.572 ( 18.854 9.376 10.483) 23.521 6.644 ( 2.915 5.571 -0.781) 6.336 7.407 ( 6.362 3.764 -0.554) 7.413 7.456 ( 3.074 5.132 0.861) 6.044 10.780 ( -9.996 -7.167 0.231) 12.302 11.098 ( -9.134 -6.961 1.054) 11.532 12.147 ( -12.056 -11.681 -2.120) 16.920 13.945 ( 2.804 4.508 -0.688) 5.353 15.385 ( -0.566 2.542 4.206) 4.947 16.348 ( -0.598 -5.682 -6.502) 8.656======================= Grid point 836 (154/213) =======================q-point: ( 0.38 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( -2.204 10.606 -2.180) 11.050 2.987 ( 4.714 5.060 -5.448) 8.804 3.714 ( 4.518 1.934 0.833) 4.985 3.833 ( -0.314 8.463 -1.991) 8.700 5.267 ( 7.438 3.896 1.115) 8.470 5.920 ( 14.431 4.132 8.848) 17.425 6.735 ( 1.528 5.075 -0.950) 5.384 7.526 ( 3.887 2.054 -2.746) 5.183 7.594 ( 6.200 6.393 4.573) 10.011 10.570 ( -7.523 -4.825 0.565) 8.956 10.974 ( -0.706 -2.162 -0.735) 2.390 11.827 ( -12.242 -10.879 -2.145) 16.517 14.027 ( 1.081 5.085 -0.459) 5.219 15.403 ( 0.584 1.564 3.609) 3.977 16.259 ( -2.882 -5.916 -5.721) 8.720======================= Grid point 837 (155/213) =======================q-point: ( 0.44 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( -5.067 10.091 -2.197) 11.503 3.060 ( -0.966 2.900 -8.245) 8.793 3.743 ( -0.081 -0.250 2.553) 2.566 3.916 ( -0.225 7.062 1.833) 7.300 5.391 ( 3.886 1.105 -0.381) 4.058 6.127 ( 8.265 -1.247 6.814) 10.784 6.788 ( -0.508 4.001 -1.156) 4.196 7.580 ( 1.154 0.500 -3.803) 4.006 7.754 ( 5.264 4.872 4.701) 8.575 10.448 ( -2.782 -1.840 0.880) 3.450 11.002 ( 3.431 0.156 -1.326) 3.682 11.564 ( -6.788 -6.954 -2.311) 9.989 14.073 ( -1.343 4.554 -0.274) 4.756 15.437 ( 1.575 1.412 2.662) 3.400 16.149 ( -3.269 -5.321 -3.694) 7.256======================= Grid point 838 (156/213) =======================q-point: (-0.50 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.739 ( -7.886 9.759 -1.213) 12.605 3.014 ( -6.011 0.605 -6.731) 9.044 3.735 ( -0.259 -1.339 2.856) 3.165 3.936 ( -4.032 4.106 1.089) 5.857 5.412 ( -1.171 -1.514 -1.185) 2.251 6.167 ( 0.667 -6.186 5.021) 7.995 6.793 ( -2.808 2.561 -1.341) 4.030 7.576 ( -1.229 -0.908 -4.108) 4.383 7.844 ( 1.349 1.642 1.566) 2.639 10.448 ( 2.950 1.507 0.900) 3.432 11.014 ( -1.172 -2.494 -1.852) 3.320 11.547 ( 8.448 1.858 -1.656) 8.807 14.067 ( -3.724 3.077 -0.041) 4.831 15.480 ( 1.613 1.714 0.748) 2.470 16.058 ( -1.915 -4.041 0.098) 4.473======================= Grid point 839 (157/213) =======================q-point: (-0.44 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( -10.929 9.287 0.380) 14.346 2.891 ( -7.611 -1.360 -2.965) 8.281 3.687 ( -3.033 -3.837 0.509) 4.918 3.860 ( -8.205 1.647 -0.525) 8.385 5.329 ( -5.724 -3.049 -1.506) 6.658 6.032 ( -7.121 -10.015 3.695) 12.832 6.745 ( -4.845 1.108 -1.412) 5.167 7.525 ( -3.045 -2.033 -4.564) 5.851 7.829 ( -2.881 -1.789 -2.850) 4.430 10.572 ( 8.126 4.233 0.512) 9.177 10.986 ( 1.909 -0.613 -1.341) 2.412 11.812 ( 16.457 5.582 -1.566) 17.448 14.010 ( -5.366 1.205 0.230) 5.505 15.521 ( 0.907 2.380 -2.161) 3.340 16.008 ( -0.253 -2.746 5.348) 6.017======================= Grid point 840 (158/213) =======================q-point: (-0.38 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( -13.476 7.299 2.686) 15.559 2.744 ( -7.809 -2.089 1.355) 8.196 3.544 ( -8.131 -6.428 -3.226) 10.855 3.698 ( -11.387 -0.518 -2.590) 11.689 5.167 ( -9.749 -3.559 -0.336) 10.384 5.750 ( -12.858 -12.017 2.075) 17.721 6.657 ( -6.119 -0.007 -1.329) 6.262 7.440 ( -4.228 -2.880 -5.429) 7.459 7.727 ( -5.032 -3.915 -6.411) 9.042 10.789 ( 11.815 5.187 -0.174) 12.905 11.106 ( 10.486 4.409 0.650) 11.394 12.163 ( 18.229 5.125 -2.889) 19.155 13.917 ( -5.863 -0.389 0.453) 5.893 15.555 ( -0.158 3.163 -5.040) 5.952 15.987 ( 0.153 -1.859 10.498) 10.662======================= Grid point 841 (159/213) =======================q-point: (-0.31 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.370 ( -14.210 4.084 6.117) 16.001 2.580 ( -9.657 -2.168 7.121) 12.193 3.297 ( -12.667 -7.179 -8.805) 17.015 3.482 ( -12.316 -2.099 -4.762) 13.371 4.915 ( -16.465 -4.743 4.261) 17.657 5.408 ( -12.964 -10.943 -2.047) 17.088 6.547 ( -6.382 -0.626 -1.131) 6.511 7.308 ( -8.187 -4.512 -6.840) 11.583 7.636 ( 0.191 -2.669 -6.931) 7.430 11.056 ( 13.933 4.637 -0.581) 14.696 11.419 ( 18.657 8.781 3.676) 20.946 12.504 ( 17.567 2.533 -5.691) 18.639 13.815 ( -5.168 -1.100 0.477) 5.305 15.562 ( -3.048 2.164 -6.542) 7.535 15.977 ( 0.018 0.156 13.594) 13.595======================= Grid point 842 (160/213) =======================q-point: (-0.25 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( -13.667 1.798 10.420) 17.280 2.363 ( -13.078 -3.414 14.961) 20.163 3.017 ( -12.661 -4.682 -13.990) 19.440 3.258 ( -11.224 -2.784 -6.856) 13.443 4.504 ( -25.144 -6.660 9.763) 27.783 5.139 ( -8.669 -7.122 -7.788) 13.657 6.437 ( -5.707 -0.797 -0.890) 5.830 7.071 ( -13.398 -5.664 -7.312) 16.280 7.729 ( 12.480 0.672 -4.422) 13.257 11.330 ( 13.585 3.185 -0.442) 13.960 11.877 ( 23.317 10.681 7.908) 26.839 12.792 ( 16.123 -1.801 -9.801) 18.954 13.731 ( -3.597 -0.519 0.033) 3.635 15.454 ( -10.506 -2.537 -4.216) 11.601 16.016 ( 2.189 5.196 11.540) 12.844======================= Grid point 843 (161/213) =======================q-point: (-0.19 0.06 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -12.036 1.123 14.992) 19.258 2.092 ( -14.048 -3.577 20.481) 25.092 2.803 ( -9.458 -0.870 -12.309) 15.547 3.060 ( -8.847 -2.892 -8.538) 12.630 3.982 ( -28.866 -5.010 12.591) 31.888 4.964 ( -5.922 -4.078 -13.033) 14.885 6.344 ( -4.411 -0.668 -0.656) 4.509 6.774 ( -15.384 -4.331 -5.873) 17.027 8.083 ( 27.969 2.647 0.169) 28.094 11.559 ( 11.002 0.581 0.392) 11.025 12.348 ( 17.590 10.346 11.496) 23.422 13.017 ( 16.748 -7.445 -13.033) 22.489 13.689 ( -1.819 1.149 -1.089) 2.412 15.153 ( -20.081 -5.600 -1.249) 20.885 16.155 ( 6.196 8.386 7.001) 12.559======================= Grid point 848 (162/213) =======================q-point: ( 0.12 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 10.271 11.738 10.857) 19.004 2.317 ( 6.280 13.791 15.476) 21.660 2.992 ( 8.139 9.060 -14.950) 19.283 3.215 ( 4.719 11.669 -7.348) 14.575 4.451 ( 15.357 23.453 11.124) 30.160 5.017 ( -1.643 7.358 -6.960) 10.260 6.429 ( 2.854 5.407 -0.626) 6.146 6.996 ( 5.535 12.891 -6.196) 15.337 7.699 ( -11.183 -11.851 -1.237) 16.341 11.350 ( -7.586 -10.948 0.203) 13.321 12.015 ( -12.123 -24.475 9.260) 28.840 12.710 ( -10.077 -8.633 -8.232) 15.615 13.741 ( 2.766 2.021 -1.460) 3.723 15.374 ( 1.328 12.892 1.961) 13.108 16.178 ( 7.540 -7.379 1.525) 10.659======================= Grid point 849 (163/213) =======================q-point: ( 0.19 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( 8.123 12.724 5.599) 16.100 2.557 ( 6.532 13.060 9.820) 17.597 3.233 ( 10.055 7.604 -10.353) 16.312 3.452 ( 8.660 13.852 -9.425) 18.860 4.930 ( 17.283 17.750 9.950) 26.698 5.053 ( -2.048 6.791 -1.123) 7.182 6.540 ( 3.313 6.599 -0.616) 7.409 7.197 ( 5.557 8.895 -5.191) 11.702 7.494 ( -5.524 -1.170 -0.929) 5.722 11.102 ( -8.765 -11.006 -0.347) 14.074 11.561 ( -15.459 -17.663 5.263) 24.056 12.469 ( -7.925 -11.697 -3.682) 14.601 13.825 ( 3.859 3.820 -1.148) 5.550 15.455 ( -2.704 7.411 3.810) 8.760 16.235 ( 6.941 -7.254 -2.722) 10.402======================= Grid point 850 (164/213) =======================q-point: ( 0.25 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.722 ( 4.323 12.347 0.933) 13.115 2.782 ( 4.951 12.933 4.864) 14.678 3.464 ( 9.341 6.147 -3.411) 11.690 3.738 ( 7.918 13.343 -11.145) 19.103 5.096 ( 0.418 6.133 2.568) 6.662 5.361 ( 16.978 10.911 8.970) 22.085 6.662 ( 2.890 7.417 -0.629) 7.985 7.349 ( 4.943 4.489 -1.551) 6.855 7.483 ( 0.454 6.190 -1.209) 6.323 10.857 ( -8.411 -9.153 -0.831) 12.458 11.190 ( -11.529 -10.984 2.504) 16.120 12.202 ( -9.371 -13.453 -1.763) 16.490 13.940 ( 3.989 5.847 -0.761) 7.119 15.453 ( -3.519 4.155 3.863) 6.676 16.254 ( 3.749 -7.820 -4.526) 9.782======================= Grid point 851 (165/213) =======================q-point: ( 0.31 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( -0.538 12.931 -0.460) 12.951 2.973 ( 3.970 10.865 -0.190) 11.570 3.654 ( 6.568 4.161 -0.292) 7.780 3.938 ( 0.949 12.366 -7.387) 14.435 5.196 ( 4.936 4.501 2.539) 7.147 5.703 ( 15.037 3.765 7.784) 17.346 6.774 ( 1.524 7.633 -0.681) 7.814 7.465 ( 5.000 2.150 0.822) 5.504 7.591 ( 3.196 8.445 -0.265) 9.033 10.645 ( -7.581 -6.728 -0.585) 10.153 10.977 ( -4.043 -5.227 0.441) 6.623 11.900 ( -10.548 -13.370 -1.283) 17.078 14.062 ( 2.463 7.398 -0.534) 7.815 15.434 ( -2.145 2.458 3.426) 4.731 16.211 ( 0.542 -8.096 -4.889) 9.473======================= Grid point 852 (166/213) =======================q-point: ( 0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.957 ( -4.161 11.966 0.241) 12.671 3.117 ( 0.733 9.838 -4.724) 10.938 3.745 ( 0.772 1.782 1.176) 2.270 4.034 ( -2.676 11.543 -2.037) 12.023 5.322 ( 5.529 1.720 0.554) 5.816 5.933 ( 11.681 -2.969 6.202) 13.555 6.854 ( -0.650 7.054 -0.786) 7.127 7.546 ( 3.177 -0.032 -0.779) 3.272 7.736 ( 3.899 7.878 2.745) 9.209 10.484 ( -4.672 -4.107 -0.026) 6.220 10.943 ( 2.618 -0.879 -0.608) 2.827 11.610 ( -8.815 -11.144 -1.460) 14.283 14.154 ( -0.596 7.707 -0.390) 7.740 15.437 ( 0.006 1.943 2.741) 3.360 16.125 ( -1.251 -7.682 -4.034) 8.766======================= Grid point 853 (167/213) =======================q-point: ( 0.44 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( -6.117 9.604 1.332) 11.464 3.171 ( -6.501 10.615 -7.090) 14.325 3.735 ( -1.794 -0.540 3.282) 3.779 4.074 ( -4.763 8.972 -0.360) 10.164 5.393 ( 2.040 -0.764 -0.911) 2.362 6.032 ( 6.553 -8.391 4.665) 11.623 6.885 ( -3.179 5.690 -0.905) 6.581 7.572 ( 0.760 -1.385 -1.886) 2.460 7.847 ( 1.456 4.558 2.508) 5.402 10.423 ( 0.511 -0.869 0.177) 1.024 10.990 ( 1.686 -1.381 -1.004) 2.400 11.450 ( 1.480 -4.488 -1.321) 4.907 14.183 ( -4.136 6.409 -0.143) 7.629 15.472 ( 1.511 2.365 1.229) 3.063 16.033 ( -1.107 -6.494 -1.562) 6.770======================= Grid point 855 (168/213) =======================q-point: (-0.50 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.941 ( -7.059 6.467 2.104) 9.802 3.102 ( -14.317 11.802 -5.329) 19.304 3.686 ( -1.794 -3.734 2.731) 4.962 4.038 ( -8.304 6.097 -1.064) 10.357 5.375 ( -2.451 -1.963 -1.641) 3.543 5.987 ( -0.230 -11.881 3.765) 12.465 6.858 ( -5.494 3.889 -0.988) 6.803 7.546 ( -1.645 -2.197 -2.481) 3.700 7.863 ( -2.416 0.253 -0.508) 2.482 10.485 ( 5.924 2.063 -0.057) 6.273 10.958 ( -0.576 -2.803 -1.221) 3.111 11.590 ( 14.059 2.196 -0.688) 14.246 14.140 ( -6.832 4.021 0.185) 7.930 15.527 ( 1.651 3.163 -1.556) 3.893 15.971 ( 0.352 -4.682 2.730) 5.431======================= Grid point 856 (169/213) =======================q-point: (-0.44 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( -7.464 1.821 1.728) 7.875 2.937 ( -18.778 12.697 0.035) 22.667 3.589 ( -4.448 -5.997 -0.679) 7.498 3.913 ( -12.044 3.404 -2.651) 12.794 5.280 ( -6.465 -1.682 -1.363) 6.818 5.799 ( -7.344 -13.318 3.410) 15.586 6.780 ( -7.100 2.155 -0.999) 7.487 7.478 ( -3.485 -2.671 -3.160) 5.409 7.779 ( -5.398 -3.252 -4.155) 7.548 10.648 ( 9.820 3.209 -0.746) 10.358 10.987 ( 6.359 0.704 0.040) 6.398 11.894 ( 17.909 2.816 -1.071) 18.160 14.040 ( -7.973 1.626 0.369) 8.146 15.583 ( 1.001 3.363 -4.485) 5.694 15.954 ( 1.415 -2.216 7.357) 7.812======================= Grid point 857 (170/213) =======================q-point: (-0.38 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.695 ( -14.575 2.062 0.924) 14.749 2.758 ( -13.885 7.168 7.344) 17.265 3.418 ( -8.924 -5.739 -5.925) 12.153 3.707 ( -14.642 1.039 -4.561) 15.371 5.126 ( -11.047 -0.346 1.146) 11.112 5.501 ( -11.892 -12.935 2.202) 17.708 6.668 ( -7.715 0.838 -0.924) 7.815 7.380 ( -5.065 -2.971 -4.502) 7.399 7.642 ( -5.076 -4.678 -5.872) 9.062 10.864 ( 12.583 2.426 -1.205) 12.872 11.196 ( 15.217 4.299 2.248) 15.972 12.218 ( 17.955 0.909 -2.534) 18.156 13.916 ( -7.460 0.223 0.215) 7.466 15.613 ( -0.614 1.088 -4.708) 4.871 15.975 ( 1.428 2.126 8.904) 9.265======================= Grid point 858 (171/213) =======================q-point: (-0.31 0.12 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.454 ( -16.527 3.281 6.174) 17.945 2.568 ( -13.503 0.417 10.810) 17.303 3.196 ( -12.127 -2.106 -12.036) 17.215 3.457 ( -14.631 -0.735 -6.205) 15.909 4.866 ( -20.834 0.188 7.384) 22.104 5.203 ( -8.837 -9.676 -2.689) 13.377 6.544 ( -7.316 0.038 -0.787) 7.358 7.227 ( -9.999 -3.266 -6.358) 12.292 7.574 ( 3.356 -3.767 -4.244) 6.592 11.112 ( 14.402 1.112 -0.795) 14.467 11.560 ( 22.349 4.550 5.144) 23.380 12.501 ( 15.925 -1.912 -4.949) 16.786 13.806 ( -5.597 0.301 -0.419) 5.621 15.559 ( -4.959 -3.416 -1.061) 6.114 16.050 ( 1.736 7.822 5.598) 9.774======================= Grid point 866 (172/213) =======================q-point: ( 0.19 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( 6.701 9.624 1.796) 11.864 2.854 ( 8.989 16.578 8.702) 20.769 3.376 ( 6.637 6.788 -7.894) 12.347 3.727 ( 9.131 14.009 -7.488) 18.322 5.148 ( 4.953 6.695 1.829) 8.527 5.293 ( 2.149 15.468 5.322) 16.498 6.677 ( 4.080 7.304 -0.608) 8.388 7.338 ( 2.078 5.599 -3.230) 6.790 7.553 ( -1.163 6.618 -3.668) 7.656 10.885 ( -6.533 -10.892 -1.399) 12.778 11.242 ( -8.836 -14.863 2.912) 17.535 12.217 ( -8.767 -14.132 -1.886) 16.737 13.926 ( 4.592 6.473 -0.400) 7.947 15.563 ( -3.983 3.734 1.346) 5.623 16.091 ( 5.741 -7.215 0.467) 9.232======================= Grid point 867 (173/213) =======================q-point: ( 0.25 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( 5.892 7.761 -1.078) 9.804 3.119 ( 1.051 19.086 6.640) 20.235 3.560 ( 9.203 3.888 -2.868) 10.394 4.004 ( 6.833 13.491 -8.771) 17.482 5.213 ( -0.860 5.682 2.285) 6.184 5.527 ( 9.911 5.966 5.885) 12.979 6.815 ( 3.189 8.145 -0.427) 8.758 7.420 ( 2.877 2.982 -0.037) 4.144 7.638 ( 1.577 9.151 -2.243) 9.553 10.687 ( -6.072 -8.358 -1.625) 10.458 11.000 ( -5.842 -8.047 1.300) 10.029 11.927 ( -9.054 -14.612 -0.565) 17.199 14.077 ( 4.632 8.092 -0.340) 9.330 15.519 ( -4.436 2.702 2.075) 5.593 16.093 ( 3.385 -8.461 -2.124) 9.357======================= Grid point 868 (174/213) =======================q-point: ( 0.31 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.049 ( 3.048 6.938 -2.758) 8.064 3.266 ( -2.483 15.184 4.610) 16.062 3.738 ( 5.210 5.850 1.351) 7.949 4.194 ( -0.100 13.424 -7.720) 15.486 5.267 ( 2.445 2.746 2.071) 4.220 5.710 ( 10.075 -3.104 4.442) 11.440 6.933 ( 0.878 8.527 -0.366) 8.580 7.487 ( 3.112 -0.015 0.585) 3.166 7.768 ( 2.652 9.312 0.800) 9.716 10.518 ( -5.140 -6.350 -1.136) 8.248 10.906 ( 0.184 -1.859 0.128) 1.873 11.638 ( -8.687 -13.443 -0.352) 16.010 14.223 ( 2.332 8.797 -0.398) 9.110 15.482 ( -2.719 2.520 2.118) 4.269 16.044 ( 1.087 -8.833 -2.928) 9.369======================= Grid point 869 (175/213) =======================q-point: ( 0.38 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.117 ( -2.590 6.005 -1.673) 6.750 3.361 ( -1.062 11.130 1.123) 11.237 3.817 ( -3.906 7.057 4.187) 9.088 4.267 ( -5.570 12.336 -5.163) 14.486 5.336 ( 3.682 -0.026 -0.023) 3.682 5.805 ( 8.879 -9.972 3.303) 13.754 7.001 ( -2.446 7.855 -0.382) 8.236 7.523 ( 2.550 -2.347 0.028) 3.466 7.885 ( 1.062 6.974 2.587) 7.514 10.410 ( -1.438 -3.454 -0.794) 3.824 10.943 ( 3.162 0.822 -0.195) 3.273 11.405 ( -3.998 -9.713 -0.525) 10.517 14.310 ( -1.996 7.861 -0.364) 8.118 15.484 ( -0.136 3.092 1.392) 3.394 15.969 ( 0.197 -8.221 -2.092) 8.486======================= Grid point 870 (176/213) =======================q-point: (-0.56 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.090 ( -5.972 3.985 -0.398) 7.191 3.433 ( -4.074 11.459 -1.984) 12.322 3.745 ( -10.014 3.250 6.539) 12.393 4.254 ( -8.524 9.339 -3.992) 13.260 5.373 ( 0.909 -0.938 -1.538) 2.018 5.816 ( 5.709 -13.255 2.871) 14.715 7.000 ( -5.587 5.882 -0.375) 8.121 7.527 ( 1.022 -3.062 -0.627) 3.289 7.921 ( -2.635 2.833 1.673) 4.215 10.411 ( 3.755 -0.447 -0.819) 3.869 10.953 ( -1.662 -2.180 -0.573) 2.801 11.392 ( 9.561 -1.585 -0.059) 9.692 14.303 ( -6.424 5.424 -0.058) 8.408 15.531 ( 1.457 3.613 -0.814) 3.980 15.906 ( 1.120 -6.238 0.703) 6.377======================= Grid point 871 (177/213) =======================q-point: (-0.50 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( -7.622 2.045 -0.293) 7.897 3.406 ( -17.052 15.904 0.663) 23.327 3.589 ( -4.393 -6.237 3.677) 8.468 4.159 ( -11.676 5.939 -4.475) 13.843 5.346 ( -2.868 -0.919 -1.591) 3.406 5.737 ( -0.304 -12.601 3.364) 13.046 6.932 ( -7.647 3.348 -0.412) 8.358 7.496 ( -1.403 -2.643 -1.100) 3.188 7.853 ( -6.098 -1.268 -1.133) 6.330 10.519 ( 8.098 1.258 -1.201) 8.283 10.916 ( 1.387 -1.508 -0.253) 2.065 11.625 ( 16.246 1.366 0.127) 16.304 14.208 ( -9.073 2.745 0.214) 9.482 15.586 ( 1.391 1.832 -3.341) 4.056 15.899 ( 2.859 -1.738 4.109) 5.299======================= Grid point 872 (178/213) =======================q-point: (-0.44 0.19 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.876 ( -9.265 0.900 -0.064) 9.309 3.171 ( -21.654 6.689 7.360) 23.829 3.489 ( -4.503 -1.950 -4.224) 6.475 3.978 ( -14.815 2.893 -5.787) 16.166 5.265 ( -5.735 -0.616 -0.356) 5.779 5.560 ( -8.020 -9.291 4.524) 13.081 6.816 ( -8.517 1.198 -0.518) 8.616 7.431 ( -3.688 -1.843 -1.635) 4.435 7.708 ( -7.511 -3.805 -3.758) 9.220 10.688 ( 10.350 0.944 -1.713) 10.533 11.004 ( 9.859 0.637 1.149) 9.946 11.926 ( 17.651 0.713 -0.535) 17.673 14.067 ( -9.458 1.028 0.117) 9.514 15.603 ( 0.735 -2.223 -2.139) 3.171 15.967 ( 3.531 4.386 3.732) 6.755======================= Grid point 883 (179/213) =======================q-point: ( 0.25 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.038 ( 5.511 6.662 -1.344) 8.749 3.446 ( -3.421 10.986 5.112) 12.591 3.649 ( 14.343 8.034 2.413) 16.616 4.244 ( 8.387 10.942 -8.414) 16.151 5.309 ( -1.942 4.050 0.898) 4.581 5.590 ( 0.432 0.700 3.243) 3.346 6.969 ( 4.448 7.495 -0.099) 8.716 7.462 ( 0.218 1.187 -0.045) 1.208 7.816 ( 2.250 8.609 -0.450) 8.909 10.531 ( -4.446 -7.608 -1.687) 8.972 10.899 ( -1.498 -2.041 0.329) 2.553 11.642 ( -7.981 -14.536 0.310) 16.586 14.241 ( 5.321 8.278 -0.105) 9.841 15.562 ( -3.386 1.775 -0.297) 3.834 15.936 ( 1.434 -7.413 0.297) 7.556======================= Grid point 884 (180/213) =======================q-point: ( 0.31 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( 2.812 6.344 -2.077) 7.243 3.444 ( -2.445 2.641 2.317) 4.281 3.929 ( 4.403 12.971 9.527) 16.685 4.450 ( 1.317 12.864 -10.362) 16.571 5.305 ( -0.718 1.365 1.413) 2.092 5.587 ( 4.234 -9.253 1.240) 10.251 7.098 ( 1.195 8.262 0.078) 8.348 7.462 ( 0.905 -2.551 0.445) 2.743 7.932 ( 1.794 7.110 2.406) 7.718 10.404 ( -2.745 -5.069 -1.537) 5.966 10.912 ( 2.228 2.478 0.131) 3.335 11.386 ( -6.329 -12.237 0.355) 13.782 14.385 ( 2.135 7.428 -0.440) 7.741 15.538 ( -2.130 3.436 0.627) 4.091 15.875 ( 0.772 -8.359 -1.122) 8.469======================= Grid point 885 (181/213) =======================q-point: ( 0.38 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.223 ( -4.315 5.028 -1.214) 6.736 3.456 ( 2.908 -0.313 0.254) 2.936 4.019 ( -7.887 10.888 12.282) 18.210 4.510 ( -8.755 12.432 -9.617) 17.991 5.334 ( 2.868 0.174 -0.794) 2.981 5.565 ( 7.050 -13.870 1.086) 15.597 7.150 ( -4.313 7.205 0.145) 8.398 7.457 ( 2.724 -4.265 0.339) 5.072 7.993 ( -1.458 3.863 3.236) 5.246 10.355 ( 1.262 -2.138 -1.516) 2.909 10.972 ( -0.631 1.938 0.158) 2.045 11.243 ( 3.225 -6.557 0.326) 7.314 14.439 ( -3.152 5.036 -0.489) 5.961 15.559 ( -0.336 4.409 -0.035) 4.422 15.815 ( 1.742 -7.293 -0.394) 7.509======================= Grid point 887 (182/213) =======================q-point: (-0.56 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.154 ( -7.440 2.595 -0.906) 7.932 3.504 ( 2.872 -1.926 -0.568) 3.504 3.883 ( -17.794 7.274 11.386) 22.342 4.421 ( -12.232 6.887 -8.842) 16.590 5.360 ( -0.122 -1.262 -1.045) 1.643 5.573 ( 6.862 -8.764 1.892) 11.290 7.095 ( -7.762 3.237 0.154) 8.412 7.467 ( 1.920 -2.411 -0.005) 3.082 7.951 ( -5.724 0.230 1.934) 6.046 10.405 ( 5.787 -0.202 -1.561) 5.997 10.917 ( -3.202 -1.212 -0.079) 3.424 11.379 ( 13.637 0.017 0.620) 13.651 14.380 ( -7.753 2.301 -0.214) 8.090 15.583 ( -0.256 0.364 -1.683) 1.741 15.823 ( 4.575 -0.938 1.446) 4.889======================= Grid point 901 (183/213) =======================q-point: ( 0.31 0.31 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.294 ( 3.912 5.373 -0.970) 6.716 3.421 ( -3.148 -3.508 -0.060) 4.714 4.137 ( 3.928 6.287 15.171) 16.885 4.678 ( 6.147 9.060 -11.744) 16.056 5.329 ( -3.620 1.361 0.254) 3.876 5.387 ( -1.883 -9.263 -0.539) 9.468 7.245 ( 3.798 6.375 0.422) 7.432 7.391 ( -2.689 -4.398 0.458) 5.176 8.028 ( 1.259 2.521 3.713) 4.661 10.333 ( -1.157 -1.988 -1.814) 2.930 10.996 ( 3.092 5.723 0.345) 6.515 11.174 ( -4.987 -9.042 0.601) 10.343 14.491 ( 1.824 3.028 -0.664) 3.597 15.614 ( 0.906 3.939 -0.298) 4.053 15.732 ( -1.929 -5.806 -0.064) 6.118======================= Grid point 1084 (184/213) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 111Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 -0.000 0.000) 0.000 2.681 ( -0.000 0.000 0.000) 0.000 2.681 ( -0.000 -0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 -0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 -0.000 0.000) 0.000 10.091 ( -0.000 0.000 0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 -0.000 0.000) 0.000 14.272 ( 0.000 -0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000======================= Grid point 1086 (185/213) =======================q-point: ( 0.06 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 3.426 1.978 -1.734) 4.319 1.972 ( 7.640 4.411 1.785) 9.001 2.618 ( -3.822 -2.207 -1.488) 4.657 2.717 ( 3.142 1.814 1.477) 3.917 3.367 ( 16.155 9.327 -0.245) 18.656 4.538 ( 4.299 2.482 0.266) 4.972 6.242 ( 1.308 0.755 0.121) 1.515 6.313 ( 7.386 4.264 -0.017) 8.529 9.448 ( -42.984 -24.817 0.258) 49.635 11.812 ( -3.990 -2.304 1.126) 4.743 12.294 ( 24.509 14.151 -1.764) 28.356 13.492 ( -14.084 -8.132 2.207) 16.412 13.656 ( 0.463 0.267 -1.079) 1.204 14.428 ( 13.915 8.034 0.116) 16.069 16.525 ( -7.540 -4.353 -0.732) 8.737======================= Grid point 1088 (186/213) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 5.739 3.313 -3.031) 7.287 2.217 ( 13.923 8.038 4.153) 16.604 2.557 ( -1.260 -0.727 -4.479) 4.710 2.823 ( 6.357 3.670 2.834) 7.868 3.816 ( 22.798 13.162 -0.946) 26.341 4.672 ( 7.333 4.234 1.875) 8.673 6.286 ( 2.619 1.512 0.224) 3.033 6.536 ( 11.858 6.846 0.480) 13.700 8.525 ( -36.268 -20.939 1.595) 41.909 11.680 ( -7.720 -4.457 1.757) 9.085 12.629 ( 3.123 1.803 -8.669) 9.389 13.064 ( -21.285 -12.289 10.679) 26.797 13.675 ( 1.268 0.732 -1.739) 2.273 14.835 ( 19.660 11.351 1.538) 22.753 16.352 ( -6.627 -3.826 -4.433) 8.843======================= Grid point 1090 (187/213) =======================q-point: ( 0.19 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 6.552 3.783 -3.752) 8.445 2.534 ( 6.161 3.557 17.371) 18.772 2.612 ( 13.782 7.957 -19.484) 25.157 2.999 ( 9.230 5.329 3.882) 11.343 4.348 ( 23.679 13.671 -2.628) 27.469 4.857 ( 9.200 5.312 5.689) 12.051 6.359 ( 3.810 2.200 0.307) 4.410 6.819 ( 12.836 7.411 1.518) 14.899 7.877 ( -21.327 -12.313 3.740) 24.908 11.471 ( -10.715 -6.186 1.707) 12.490 12.307 ( -26.246 -15.153 -6.183) 30.931 12.783 ( -6.497 -3.751 9.339) 11.980 13.716 ( 2.388 1.379 -1.825) 3.307 15.204 ( 12.141 7.010 4.039) 14.589 16.257 ( -1.884 -1.088 -9.463) 9.710======================= Grid point 1092 (188/213) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( 6.121 3.534 -3.869) 8.057 2.615 ( 3.977 2.296 0.789) 4.660 3.021 ( 18.858 10.888 -5.122) 22.370 3.228 ( 10.956 6.326 4.308) 13.364 4.806 ( 15.071 8.701 -4.449) 17.962 5.121 ( 15.932 9.199 10.113) 20.994 6.454 ( 4.607 2.660 0.379) 5.333 7.092 ( 11.163 6.445 2.479) 13.126 7.560 ( -7.389 -4.266 5.905) 10.376 11.210 ( -12.358 -7.135 1.181) 14.318 11.721 ( -24.082 -13.904 -0.873) 27.822 12.599 ( -10.330 -5.964 3.671) 12.481 13.782 ( 3.426 1.978 -1.498) 4.230 15.380 ( 4.300 2.482 5.142) 7.147 16.244 ( 0.042 0.024 -11.963) 11.963======================= Grid point 1094 (189/213) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.439 ( 4.924 2.843 -3.386) 6.617 2.718 ( 5.030 2.904 -1.976) 6.135 3.404 ( 14.465 8.351 -3.867) 17.144 3.477 ( 10.856 6.268 3.914) 13.132 5.043 ( 8.235 4.755 0.519) 9.523 5.541 ( 19.313 11.150 6.754) 23.301 6.560 ( 4.689 2.707 0.431) 5.431 7.301 ( 7.126 4.114 1.792) 8.421 7.522 ( 3.321 1.918 8.183) 9.037 10.931 ( -12.123 -6.999 0.563) 14.010 11.269 ( -15.746 -9.091 0.111) 18.182 12.325 ( -13.855 -7.999 1.325) 16.053 13.865 ( 3.881 2.241 -1.033) 4.599 15.434 ( 1.178 0.680 4.622) 4.818 16.234 ( -1.255 -0.725 -11.399) 11.491======================= Grid point 1096 (190/213) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 3.371 1.946 -2.449) 4.599 2.829 ( 4.635 2.676 -3.130) 6.200 3.649 ( 7.434 4.292 -2.081) 8.833 3.700 ( 8.728 5.039 2.848) 10.473 5.218 ( 7.397 4.270 1.971) 8.765 5.931 ( 14.883 8.592 4.366) 17.731 6.657 ( 3.859 2.228 0.412) 4.475 7.424 ( 4.405 2.543 0.487) 5.110 7.653 ( 6.902 3.985 8.492) 11.646 10.682 ( -9.769 -5.640 0.139) 11.281 11.024 ( -6.146 -3.549 0.227) 7.101 11.994 ( -15.207 -8.780 -0.006) 17.559 13.949 ( 3.412 1.970 -0.614) 3.987 15.452 ( 0.671 0.387 3.598) 3.681 16.188 ( -2.653 -1.532 -9.042) 9.546======================= Grid point 1098 (191/213) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 1.698 0.980 -1.269) 2.336 2.915 ( 2.793 1.612 -2.464) 4.058 3.754 ( 2.413 1.393 -0.365) 2.810 3.855 ( 4.870 2.812 1.459) 5.810 5.360 ( 4.748 2.741 1.095) 5.591 6.191 ( 7.980 4.607 2.348) 9.508 6.726 ( 2.183 1.260 0.263) 2.534 7.503 ( 2.484 1.434 -0.046) 2.868 7.790 ( 4.706 2.717 5.324) 7.608 10.508 ( -5.481 -3.164 -0.016) 6.328 10.980 ( 1.419 0.819 0.403) 1.687 11.672 ( -12.531 -7.235 -0.588) 14.482 14.011 ( 2.002 1.156 -0.281) 2.329 15.467 ( 0.630 0.364 2.133) 2.253 16.128 ( -2.291 -1.323 -5.179) 5.816======================= Grid point 1100 (192/213) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 15.476 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000======================= Grid point 1120 (193/213) =======================q-point: ( 0.06 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( 3.502 6.066 0.000) 7.004 2.131 ( 6.805 11.787 0.000) 13.611 2.566 ( -1.257 -2.178 0.000) 2.515 2.790 ( 3.330 5.768 0.000) 6.661 3.681 ( 12.402 21.482 0.000) 24.805 4.629 ( 3.816 6.609 0.000) 7.632 6.273 ( 1.404 2.432 0.000) 2.808 6.466 ( 6.283 10.882 0.000) 12.566 8.753 ( -22.894 -39.653 0.000) 45.788 11.724 ( -3.895 -6.746 0.000) 7.789 12.597 ( 6.743 11.680 0.000) 13.487 13.182 ( -13.330 -23.088 0.000) 26.659 13.664 ( 0.383 0.663 0.000) 0.765 14.723 ( 11.889 20.592 0.000) 23.778 16.393 ( -4.532 -7.850 0.000) 9.064======================= Grid point 1122 (194/213) =======================q-point: ( 0.12 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( 4.453 8.438 -2.267) 9.807 2.421 ( 12.830 12.708 6.498) 19.192 2.554 ( 1.139 0.887 -6.865) 7.015 2.938 ( 6.144 8.098 1.888) 10.339 4.155 ( 18.337 20.845 -0.996) 27.780 4.782 ( 6.326 6.777 2.186) 9.525 6.335 ( 2.526 3.572 0.146) 4.377 6.712 ( 9.774 10.746 0.606) 14.538 8.066 ( -20.200 -23.478 1.588) 31.013 11.553 ( -7.432 -8.557 0.957) 11.374 12.573 ( -21.602 -13.070 -10.752) 27.442 12.762 ( -0.512 -12.859 12.333) 17.824 13.689 ( 1.772 1.001 -1.028) 2.280 15.121 ( 11.341 16.161 1.845) 19.829 16.266 ( -2.675 -4.476 -4.308) 6.764======================= Grid point 1124 (195/213) =======================q-point: ( 0.19 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( 3.709 10.205 -3.255) 11.336 2.590 ( 2.379 3.670 3.958) 5.899 2.821 ( 17.537 12.065 -6.095) 22.142 3.149 ( 8.230 9.947 3.053) 13.266 4.655 ( 17.059 17.234 -3.749) 24.537 4.976 ( 10.031 6.576 7.259) 14.020 6.425 ( 3.294 4.634 0.245) 5.690 6.981 ( 10.371 8.949 1.655) 13.797 7.646 ( -10.369 -10.301 3.783) 15.097 11.316 ( -9.919 -9.754 1.026) 13.949 11.982 ( -24.457 -18.258 -1.704) 30.568 12.645 ( -4.327 -9.473 4.075) 11.183 13.745 ( 3.151 2.047 -1.299) 3.976 15.371 ( 3.825 9.118 4.272) 10.771 16.219 ( 0.799 -2.731 -9.026) 9.464======================= Grid point 1126 (196/213) =======================q-point: ( 0.25 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 1.941 11.613 -2.953) 12.138 2.682 ( 3.481 4.872 -0.409) 6.002 3.224 ( 16.621 9.540 -3.800) 19.537 3.398 ( 8.968 11.106 2.969) 14.581 4.976 ( 7.053 8.539 -1.789) 11.219 5.313 ( 19.324 9.940 7.705) 23.056 6.532 ( 3.489 5.334 0.318) 6.382 7.218 ( 8.464 6.280 1.998) 10.727 7.504 ( -0.493 -1.015 6.102) 6.205 11.044 ( -10.689 -9.652 0.646) 14.417 11.458 ( -18.900 -13.029 -0.014) 22.956 12.428 ( -9.333 -11.112 1.802) 14.623 13.831 ( 3.702 3.479 -1.119) 5.202 15.454 ( -0.669 4.482 4.912) 6.683 16.214 ( 1.188 -3.036 -10.706) 11.191======================= Grid point 1128 (197/213) =======================q-point: ( 0.31 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.593 ( -0.699 12.909 -1.838) 13.057 2.793 ( 3.775 4.910 -2.655) 6.738 3.532 ( 11.219 5.199 -2.179) 12.556 3.649 ( 7.395 10.821 1.710) 13.218 5.146 ( 6.269 5.464 1.835) 8.516 5.724 ( 18.217 7.206 4.800) 20.170 6.640 ( 2.876 5.479 0.349) 6.198 7.378 ( 5.006 3.955 0.577) 6.406 7.579 ( 6.142 3.811 8.211) 10.939 10.784 ( -9.750 -7.769 0.250) 12.469 11.111 ( -10.375 -7.333 0.216) 12.707 12.129 ( -12.494 -11.740 0.415) 17.149 13.930 ( 3.075 4.698 -0.796) 5.671 15.466 ( -1.163 2.153 4.257) 4.910 16.188 ( -0.406 -3.832 -9.697) 10.434======================= Grid point 1130 (198/213) =======================q-point: ( 0.38 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.685 ( -3.660 13.587 -0.758) 14.092 2.895 ( 2.810 4.104 -3.221) 5.926 3.704 ( 5.363 1.929 -1.133) 5.811 3.839 ( 3.850 8.617 1.432) 9.546 5.296 ( 5.957 3.427 1.772) 7.097 6.039 ( 13.413 2.212 3.044) 13.931 6.728 ( 1.389 5.001 0.289) 5.198 7.478 ( 3.042 2.902 -0.184) 4.208 7.730 ( 6.137 4.007 6.956) 10.105 10.576 ( -7.185 -5.110 0.033) 8.816 10.970 ( -1.253 -2.138 0.339) 2.502 11.800 ( -12.763 -10.796 -0.433) 16.723 14.017 ( 1.327 5.183 -0.474) 5.371 15.469 ( -0.278 1.030 3.071) 3.251 16.133 ( -1.219 -3.924 -6.934) 8.060======================= Grid point 1132 (199/213) =======================q-point: ( 0.44 0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.732 ( -6.273 13.293 -0.172) 14.700 2.957 ( 0.400 2.762 -1.474) 3.156 3.767 ( 1.428 0.144 -0.246) 1.457 3.941 ( -0.199 5.798 0.599) 5.832 5.393 ( 2.792 0.599 0.594) 2.916 6.207 ( 6.806 -2.964 1.095) 7.503 6.778 ( -0.750 3.980 0.115) 4.051 7.533 ( 0.810 1.487 -0.152) 1.700 7.835 ( 2.267 2.056 2.676) 4.065 10.457 ( -2.518 -2.077 -0.012) 3.264 10.992 ( 2.957 0.186 0.353) 2.984 11.535 ( -6.637 -6.454 -0.477) 9.270 14.068 ( -1.102 4.679 -0.159) 4.810 15.475 ( 0.102 0.366 1.190) 1.249 16.086 ( 0.019 -2.935 -2.589) 3.914======================= Grid point 1154 (200/213) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( 6.174 10.694 0.000) 12.349 2.598 ( 2.362 4.091 0.000) 4.724 2.711 ( 9.620 16.662 -0.000) 19.240 3.131 ( 6.649 11.517 0.000) 13.299 4.591 ( 13.414 23.234 -0.000) 26.828 4.922 ( 4.272 7.399 0.000) 8.544 6.422 ( 3.031 5.250 0.000) 6.063 6.934 ( 6.786 11.754 0.000) 13.573 7.686 ( -8.502 -14.725 0.000) 17.003 11.352 ( -6.905 -11.960 0.000) 13.810 12.121 ( -15.706 -27.204 0.000) 31.412 12.614 ( -4.076 -7.059 0.000) 8.151 13.726 ( 1.743 3.019 0.000) 3.486 15.393 ( 6.146 10.644 0.000) 12.291 16.193 ( -1.627 -2.817 0.000) 3.253======================= Grid point 1156 (201/213) =======================q-point: ( 0.19 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( 4.280 12.194 -1.607) 13.023 2.705 ( 2.437 9.139 1.399) 9.561 3.057 ( 14.074 11.865 -2.532) 18.581 3.377 ( 8.059 13.344 1.129) 15.630 4.985 ( 5.452 15.255 -4.413) 16.790 5.110 ( 14.293 7.997 6.736) 17.709 6.535 ( 3.407 6.507 0.099) 7.346 7.154 ( 7.193 8.572 0.882) 11.225 7.508 ( -2.261 -3.425 2.269) 4.690 11.101 ( -8.590 -11.946 0.280) 14.716 11.615 ( -16.680 -18.871 -0.057) 25.186 12.439 ( -6.137 -11.528 0.922) 13.092 13.808 ( 3.504 4.558 -0.542) 5.775 15.520 ( 0.061 5.562 2.807) 6.231 16.157 ( 0.703 -3.408 -5.088) 6.164======================= Grid point 1158 (202/213) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.717 ( 3.404 11.131 -1.090) 11.691 2.842 ( -0.316 14.460 -0.122) 14.464 3.382 ( 13.145 6.667 -2.971) 15.036 3.646 ( 7.541 13.870 0.814) 15.808 5.130 ( 2.708 7.157 0.811) 7.695 5.487 ( 17.468 7.580 3.740) 19.405 6.657 ( 2.905 7.379 0.142) 7.932 7.331 ( 5.661 5.343 0.469) 7.798 7.529 ( 3.904 3.577 5.062) 7.325 10.850 ( -8.213 -9.903 0.188) 12.867 11.217 ( -12.490 -11.687 0.200) 17.106 12.188 ( -9.226 -13.245 0.447) 16.148 13.926 ( 3.925 6.286 -0.677) 7.442 15.530 ( -2.856 2.916 4.042) 5.745 16.135 ( 1.025 -4.808 -7.429) 8.908======================= Grid point 1160 (203/213) =======================q-point: ( 0.31 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 2.725 9.209 -0.085) 9.604 2.962 ( -4.283 17.859 -1.290) 18.411 3.614 ( 8.491 3.384 -2.877) 9.583 3.877 ( 4.278 12.280 0.448) 13.011 5.244 ( 4.180 4.357 2.308) 6.464 5.807 ( 15.191 1.113 2.607) 15.453 6.768 ( 1.466 7.625 0.130) 7.765 7.451 ( 3.830 3.216 -0.427) 5.019 7.671 ( 6.220 5.878 6.262) 10.604 10.639 ( -7.027 -7.148 0.070) 10.024 10.985 ( -4.868 -5.432 0.280) 7.299 11.885 ( -11.047 -13.082 -0.211) 17.124 14.050 ( 2.537 7.588 -0.603) 8.024 15.504 ( -2.399 1.599 3.742) 4.724 16.094 ( 0.172 -5.618 -6.903) 8.902======================= Grid point 1162 (204/213) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1028Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.979 ( 0.970 6.562 0.480) 6.651 3.039 ( -8.108 19.469 -1.362) 21.134 3.735 ( 3.229 1.804 -1.948) 4.181 4.022 ( 0.113 9.895 0.475) 9.907 5.343 ( 3.828 1.284 1.505) 4.309 6.010 ( 11.210 -5.221 1.494) 12.456 6.847 ( -0.784 7.114 0.076) 7.157 7.524 ( 2.150 1.353 -0.354) 2.565 7.816 ( 3.826 5.104 4.052) 7.557 10.484 ( -4.217 -4.475 0.016) 6.149 10.942 ( 2.257 -0.695 0.434) 2.402 11.589 ( -9.257 -10.678 -0.591) 14.144 14.146 ( -0.364 7.812 -0.375) 7.829 15.487 ( -1.046 0.943 2.392) 2.776 16.042 ( 0.398 -5.326 -4.256) 6.829======================= Grid point 1164 (205/213) =======================q-point: ( 0.44 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.020 ( -2.120 3.672 -0.000) 4.240 3.066 ( -11.217 19.428 0.000) 22.434 3.769 ( -0.372 0.645 0.000) 0.745 4.071 ( -4.210 7.292 -0.000) 8.420 5.383 ( 0.860 -1.489 0.000) 1.720 6.080 ( 5.725 -9.915 -0.000) 11.449 6.876 ( -3.403 5.895 0.000) 6.806 7.549 ( 0.114 -0.197 0.000) 0.228 7.876 ( -1.365 2.365 0.000) 2.731 10.425 ( 0.785 -1.360 0.000) 1.570 10.980 ( 0.823 -1.425 0.000) 1.645 11.436 ( 2.029 -3.515 0.000) 4.059 14.182 ( -3.808 6.595 0.000) 7.616 15.484 ( -0.423 0.733 0.000) 0.847 16.017 ( 2.361 -4.089 0.000) 4.721======================= Grid point 1190 (206/213) =======================q-point: ( 0.19 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( 4.704 8.147 0.000) 9.407 2.961 ( 8.909 15.431 0.000) 17.818 3.274 ( 6.098 10.562 0.000) 12.196 3.652 ( 8.333 14.434 0.000) 16.666 5.166 ( 3.017 5.225 0.000) 6.034 5.347 ( 8.237 14.268 0.000) 16.475 6.671 ( 4.228 7.323 0.000) 8.456 7.306 ( 4.018 6.960 0.000) 8.037 7.515 ( 2.219 3.844 0.000) 4.439 10.871 ( -6.553 -11.351 0.000) 13.106 11.272 ( -9.242 -16.007 0.000) 18.484 12.198 ( -7.735 -13.397 0.000) 15.470 13.922 ( 4.069 7.048 0.000) 8.138 15.579 ( 0.372 0.645 0.000) 0.745 16.094 ( -1.748 -3.028 0.000) 3.496======================= Grid point 1192 (207/213) =======================q-point: ( 0.25 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.881 ( 4.142 7.504 -0.627) 8.594 3.226 ( -0.784 22.204 2.979) 22.417 3.482 ( 10.931 3.833 -4.076) 12.280 3.916 ( 6.339 13.380 -0.085) 14.806 5.248 ( 1.269 4.931 1.353) 5.269 5.596 ( 10.566 3.490 0.930) 11.167 6.811 ( 3.165 8.273 -0.006) 8.858 7.419 ( 3.341 3.470 -0.122) 4.819 7.640 ( 5.278 7.687 2.462) 9.644 10.670 ( -5.820 -8.603 0.032) 10.387 11.015 ( -6.274 -8.676 0.128) 10.708 11.921 ( -9.103 -14.120 -0.053) 16.800 14.071 ( 4.291 8.462 -0.305) 9.493 15.563 ( -2.311 0.547 2.200) 3.238 16.036 ( -0.515 -5.210 -3.399) 6.242======================= Grid point 1194 (208/213) =======================q-point: ( 0.31 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.011 ( 2.624 7.077 -1.156) 7.635 3.355 ( -5.670 17.054 4.387) 18.500 3.701 ( 6.643 8.618 -5.385) 12.141 4.110 ( 2.271 11.392 -0.290) 11.619 5.309 ( 1.747 2.284 2.186) 3.612 5.763 ( 10.513 -5.647 0.756) 11.957 6.929 ( 0.766 8.695 -0.061) 8.729 7.488 ( 2.701 0.421 -0.113) 2.736 7.809 ( 4.705 8.081 2.866) 9.781 10.506 ( -4.682 -6.583 0.033) 8.078 10.910 ( -0.083 -1.971 0.289) 1.994 11.630 ( -9.208 -12.964 -0.383) 15.906 14.215 ( 2.224 8.956 -0.399) 9.237 15.529 ( -2.329 1.113 2.677) 3.719 15.976 ( 0.209 -6.381 -3.889) 7.476======================= Grid point 1196 (209/213) =======================q-point: ( 0.38 0.19 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -0.743 6.073 -0.741) 6.163 3.392 ( -6.010 11.640 2.044) 13.258 3.840 ( -2.672 12.266 -2.310) 12.764 4.210 ( -2.295 9.094 -0.122) 9.379 5.347 ( 1.668 -0.737 1.038) 2.098 5.842 ( 9.098 -11.840 0.293) 14.935 6.997 ( -2.543 8.112 -0.042) 8.501 7.520 ( 1.947 -1.775 -0.013) 2.634 7.926 ( 0.453 5.865 1.206) 6.005 10.402 ( -1.114 -3.882 0.017) 4.038 10.944 ( 2.794 0.907 0.302) 2.953 11.396 ( -4.110 -9.008 -0.377) 9.908 14.304 ( -1.731 7.957 -0.197) 8.145 15.511 ( -1.454 1.664 1.264) 2.546 15.930 ( 1.912 -6.092 -1.737) 6.617======================= Grid point 1224 (210/213) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.024 ( 4.143 7.176 0.000) 8.286 3.496 ( 0.727 1.259 0.000) 1.454 3.686 ( 11.963 20.720 0.000) 23.926 4.149 ( 5.939 10.286 0.000) 11.877 5.318 ( 1.255 2.173 0.000) 2.510 5.623 ( -0.248 -0.430 0.000) 0.497 6.969 ( 4.456 7.717 0.000) 8.911 7.463 ( 0.628 1.089 0.000) 1.257 7.810 ( 5.240 9.076 0.000) 10.480 10.513 ( -4.359 -7.549 0.000) 8.717 10.902 ( -1.457 -2.524 0.000) 2.914 11.645 ( -8.136 -14.093 0.000) 16.273 14.240 ( 4.875 8.444 0.000) 9.751 15.561 ( -0.232 -0.402 0.000) 0.464 15.937 ( -2.875 -4.980 0.000) 5.750======================= Grid point 1226 (211/213) =======================q-point: ( 0.31 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 1024Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.151 ( 2.148 7.233 -0.595) 7.568 3.483 ( -1.502 -0.867 1.635) 2.383 4.046 ( 3.622 22.862 -1.507) 23.196 4.304 ( 1.627 8.231 -0.573) 8.410 5.334 ( -0.580 0.442 1.526) 1.692 5.596 ( 4.324 -11.072 -0.375) 11.892 7.098 ( 1.064 8.521 -0.078) 8.587 7.467 ( 0.981 -2.536 0.075) 2.720 7.964 ( 2.878 7.222 0.629) 7.799 10.388 ( -2.577 -5.270 0.016) 5.867 10.915 ( 2.370 2.453 0.168) 3.415 11.388 ( -6.736 -11.835 -0.213) 13.619 14.379 ( 1.957 7.459 -0.145) 7.713 15.557 ( -1.111 1.984 1.174) 2.559 15.850 ( -0.471 -6.529 -1.392) 6.692======================= Grid point 1228 (212/213) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 522Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.211 ( -3.305 5.724 0.000) 6.610 3.458 ( 0.946 -1.638 0.000) 1.892 4.198 ( -11.485 19.892 0.000) 22.969 4.358 ( -3.323 5.755 -0.000) 6.646 5.326 ( 0.546 -0.945 0.000) 1.092 5.575 ( 8.313 -14.399 -0.000) 16.626 7.152 ( -4.326 7.493 0.000) 8.652 7.460 ( 2.406 -4.168 0.000) 4.813 8.026 ( -2.298 3.981 0.000) 4.597 10.339 ( 1.412 -2.445 0.000) 2.824 10.974 ( -1.117 1.935 0.000) 2.234 11.247 ( 3.497 -6.057 0.000) 6.994 14.434 ( -2.874 4.978 0.000) 5.748 15.559 ( -1.893 3.280 0.000) 3.787 15.810 ( 3.466 -6.003 0.000) 6.932======================= Grid point 1260 (213/213) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.65e-04 7.23e-05 7.23e-05 Number of triplets: 520Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.284 ( 3.485 6.036 0.000) 6.970 3.421 ( -2.537 -4.395 0.000) 5.075 4.417 ( 1.772 3.069 -0.000) 3.544 4.433 ( 7.836 13.573 0.000) 15.672 5.332 ( -0.466 -0.808 0.000) 0.933 5.381 ( -4.710 -8.159 -0.000) 9.421 7.249 ( 3.749 6.493 0.000) 7.497 7.395 ( -2.537 -4.394 0.000) 5.074 8.067 ( 1.671 2.894 0.000) 3.342 10.314 ( -1.197 -2.073 0.000) 2.393 11.000 ( 3.347 5.796 0.000) 6.693 11.181 ( -5.187 -8.984 0.000) 10.374 14.484 ( 1.694 2.934 0.000) 3.387 15.611 ( 1.986 3.440 0.000) 3.972 15.731 ( -3.032 -5.252 0.000) 6.064=================== 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 3/30720 10.0 3676.491 3676.491 2771.539 -0.000 -0.000 -0.000 3/30720 20.0 1221.027 1221.027 1249.742 -0.000 -0.000 -0.000 3/30720 30.0 561.053 561.053 512.528 -0.000 -0.000 -0.000 3/30720 40.0 320.986 320.986 265.133 -0.000 -0.000 -0.000 3/30720 50.0 212.963 212.963 160.440 -0.000 -0.000 -0.000 3/30720 60.0 155.526 155.526 108.987 -0.000 -0.000 -0.000 3/30720 70.0 120.878 120.878 80.461 -0.000 -0.000 -0.000 3/30720 80.0 97.952 97.952 62.965 -0.000 -0.000 -0.000 3/30720 90.0 81.754 81.754 51.348 -0.000 -0.000 -0.000 3/30720 100.0 69.768 69.768 43.157 -0.000 -0.000 -0.000 3/30720 110.0 60.596 60.596 37.110 -0.000 -0.000 -0.000 3/30720 120.0 53.397 53.397 32.488 -0.000 -0.000 -0.000 3/30720 130.0 47.630 47.630 28.854 -0.000 -0.000 -0.000 3/30720 140.0 42.928 42.928 25.933 -0.000 -0.000 -0.000 3/30720 150.0 39.038 39.038 23.539 -0.000 -0.000 -0.000 3/30720 160.0 35.777 35.777 21.545 -0.000 -0.000 -0.000 3/30720 170.0 33.009 33.009 19.862 -0.000 -0.000 -0.000 3/30720 180.0 30.635 30.635 18.424 -0.000 -0.000 -0.000 3/30720 190.0 28.580 28.580 17.182 -0.000 -0.000 -0.000 3/30720 200.0 26.785 26.785 16.099 -0.000 -0.000 -0.000 3/30720 210.0 25.205 25.205 15.147 -0.000 -0.000 -0.000 3/30720 220.0 23.803 23.803 14.304 -0.000 -0.000 -0.000 3/30720 230.0 22.553 22.553 13.552 -0.000 -0.000 -0.000 3/30720 240.0 21.430 21.430 12.877 -0.000 -0.000 -0.000 3/30720 250.0 20.417 20.417 12.268 -0.000 -0.000 -0.000 3/30720 260.0 19.497 19.497 11.715 -0.000 -0.000 -0.000 3/30720 270.0 18.659 18.659 11.212 -0.000 -0.000 -0.000 3/30720 280.0 17.893 17.893 10.751 -0.000 -0.000 -0.000 3/30720 290.0 17.189 17.189 10.328 -0.000 -0.000 -0.000 3/30720 300.0 16.539 16.539 9.938 -0.000 -0.000 -0.000 3/30720 310.0 15.939 15.939 9.578 -0.000 -0.000 -0.000 3/30720 320.0 15.382 15.382 9.243 -0.000 -0.000 -0.000 3/30720 330.0 14.864 14.864 8.932 -0.000 -0.000 -0.000 3/30720 340.0 14.381 14.381 8.641 -0.000 -0.000 -0.000 3/30720 350.0 13.929 13.929 8.370 -0.000 -0.000 -0.000 3/30720 360.0 13.505 13.505 8.115 -0.000 -0.000 -0.000 3/30720 370.0 13.107 13.107 7.876 -0.000 -0.000 -0.000 3/30720 380.0 12.733 12.733 7.651 -0.000 -0.000 -0.000 3/30720 390.0 12.380 12.380 7.439 -0.000 -0.000 -0.000 3/30720 400.0 12.047 12.047 7.239 -0.000 -0.000 -0.000 3/30720 410.0 11.731 11.731 7.049 -0.000 -0.000 -0.000 3/30720 420.0 11.432 11.432 6.870 -0.000 -0.000 -0.000 3/30720 430.0 11.149 11.149 6.699 -0.000 -0.000 -0.000 3/30720 440.0 10.879 10.879 6.537 -0.000 -0.000 -0.000 3/30720 450.0 10.623 10.623 6.383 -0.000 -0.000 -0.000 3/30720 460.0 10.379 10.379 6.236 -0.000 -0.000 -0.000 3/30720 470.0 10.145 10.145 6.096 -0.000 -0.000 -0.000 3/30720 480.0 9.923 9.923 5.962 -0.000 -0.000 -0.000 3/30720 490.0 9.710 9.710 5.834 -0.000 -0.000 -0.000 3/30720 500.0 9.506 9.506 5.712 -0.000 -0.000 -0.000 3/30720 510.0 9.311 9.311 5.594 -0.000 -0.000 -0.000 3/30720 520.0 9.124 9.124 5.482 -0.000 -0.000 -0.000 3/30720 530.0 8.944 8.944 5.374 -0.000 -0.000 -0.000 3/30720 540.0 8.772 8.772 5.270 -0.000 -0.000 -0.000 3/30720 550.0 8.606 8.606 5.171 -0.000 -0.000 -0.000 3/30720 560.0 8.446 8.446 5.075 -0.000 -0.000 -0.000 3/30720 570.0 8.293 8.293 4.982 -0.000 -0.000 -0.000 3/30720 580.0 8.145 8.145 4.893 -0.000 -0.000 -0.000 3/30720 590.0 8.002 8.002 4.807 -0.000 -0.000 -0.000 3/30720 600.0 7.864 7.864 4.725 -0.000 -0.000 -0.000 3/30720 610.0 7.731 7.731 4.645 -0.000 -0.000 -0.000 3/30720 620.0 7.602 7.602 4.567 -0.000 -0.000 -0.000 3/30720 630.0 7.478 7.478 4.493 -0.000 -0.000 -0.000 3/30720 640.0 7.358 7.358 4.420 -0.000 -0.000 -0.000 3/30720 650.0 7.241 7.241 4.350 -0.000 -0.000 -0.000 3/30720 660.0 7.129 7.129 4.283 -0.000 -0.000 -0.000 3/30720 670.0 7.020 7.020 4.217 -0.000 -0.000 -0.000 3/30720 680.0 6.914 6.914 4.153 -0.000 -0.000 -0.000 3/30720 690.0 6.811 6.811 4.092 -0.000 -0.000 -0.000 3/30720 700.0 6.712 6.712 4.032 -0.000 -0.000 -0.000 3/30720 710.0 6.615 6.615 3.974 -0.000 -0.000 -0.000 3/30720 720.0 6.521 6.521 3.917 -0.000 -0.000 -0.000 3/30720 730.0 6.430 6.430 3.862 -0.000 -0.000 -0.000 3/30720 740.0 6.341 6.341 3.809 -0.000 -0.000 -0.000 3/30720 750.0 6.255 6.255 3.757 -0.000 -0.000 -0.000 3/30720 760.0 6.171 6.171 3.707 -0.000 -0.000 -0.000 3/30720 770.0 6.089 6.089 3.658 -0.000 -0.000 -0.000 3/30720 780.0 6.010 6.010 3.610 -0.000 -0.000 -0.000 3/30720 790.0 5.932 5.932 3.563 -0.000 -0.000 -0.000 3/30720 800.0 5.857 5.857 3.518 -0.000 -0.000 -0.000 3/30720 810.0 5.783 5.783 3.474 -0.000 -0.000 -0.000 3/30720 820.0 5.711 5.711 3.431 -0.000 -0.000 -0.000 3/30720 830.0 5.642 5.642 3.389 -0.000 -0.000 -0.000 3/30720 840.0 5.573 5.573 3.348 -0.000 -0.000 -0.000 3/30720 850.0 5.507 5.507 3.307 -0.000 -0.000 -0.000 3/30720 860.0 5.442 5.442 3.268 -0.000 -0.000 -0.000 3/30720 870.0 5.378 5.378 3.230 -0.000 -0.000 -0.000 3/30720 880.0 5.316 5.316 3.193 -0.000 -0.000 -0.000 3/30720 890.0 5.256 5.256 3.157 -0.000 -0.000 -0.000 3/30720 900.0 5.197 5.197 3.121 -0.000 -0.000 -0.000 3/30720 910.0 5.139 5.139 3.086 -0.000 -0.000 -0.000 3/30720 920.0 5.082 5.082 3.052 -0.000 -0.000 -0.000 3/30720 930.0 5.027 5.027 3.019 -0.000 -0.000 -0.000 3/30720 940.0 4.973 4.973 2.987 -0.000 -0.000 -0.000 3/30720 950.0 4.920 4.920 2.955 -0.000 -0.000 -0.000 3/30720 960.0 4.868 4.868 2.924 -0.000 -0.000 -0.000 3/30720 970.0 4.817 4.817 2.893 -0.000 -0.000 -0.000 3/30720 980.0 4.768 4.768 2.863 -0.000 -0.000 -0.000 3/30720 990.0 4.719 4.719 2.834 -0.000 -0.000 -0.000 3/30720 1000.0 4.671 4.671 2.805 -0.000 -0.000 -0.000 3/30720Thermal conductivity related properties were written into "kappa-m16168.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:10:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|