# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/260efcae-955c-49e3-8d32-9a83937c146f/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 Yb(YS2)2 / I-42d (122) / materials id 675293](https://mdr.nims.go.jp/datasets/cfb26e5c-9e6b-4b63-8329-6e539b0ec15d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:37:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-42d (122)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a -4.106757325000000 4.106757325000000 4.094247960000000 b 4.106757325000000 -4.106757325000000 4.094247960000000 c 4.106757325000000 4.106757325000000 -4.094247960000000Atomic positions (fractional): *1 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 2 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 *3 Y 0.87500000000000 0.25292200192196 0.87792200192196 88.906 4 Y 0.74707799807804 0.62500000000000 0.62207799807804 88.906 5 Y 0.37500000000000 0.99707799807804 0.12207799807804 88.906 6 Y 0.00292200192196 0.12500000000000 0.37792200192196 88.906 *7 S 0.76869055588185 0.37120478406881 0.24959539179975 32.065 8 S 0.62879521593119 0.87839060773094 0.39748577181304 32.065 9 S 0.12120478406881 0.01869055588185 0.74959539179975 32.065 10 S 0.62839060773094 0.87879521593119 0.89748577181304 32.065 11 S 0.26909516408210 0.37160939226906 0.25040460820025 32.065 12 S 0.98130944411815 0.73090483591790 0.10251422818696 32.065 13 S 0.12160939226906 0.51909516408210 0.75040460820025 32.065 14 S 0.48090483591790 0.23130944411815 0.60251422818696 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.213514650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.213514650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.188495919999999Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 1 2 Yb 0.00000000000000 0.50000000000000 0.75000000000000 173.054 > 2 3 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 4 Yb 0.50000000000000 0.00000000000000 0.25000000000000 173.054 > 2 *5 Y 0.12792200192196 0.75000000000000 0.12500000000000 88.906 > 3 6 Y 0.25000000000000 0.37207799807804 0.37500000000000 88.906 > 4 7 Y 0.37207799807804 0.75000000000000 0.62500000000000 88.906 > 5 8 Y 0.25000000000000 0.12792200192196 0.87500000000000 88.906 > 6 9 Y 0.62792200192196 0.25000000000000 0.62500000000000 88.906 > 3 10 Y 0.75000000000000 0.87207799807804 0.87500000000000 88.906 > 4 11 Y 0.87207799807804 0.25000000000000 0.12500000000000 88.906 > 5 12 Y 0.75000000000000 0.62792200192196 0.37500000000000 88.906 > 6 *13 S 0.92605480999335 0.32354058180639 0.44514997407546 32.065 > 7 14 S 0.32354058180639 0.07394519000665 0.55485002592454 32.065 > 8 15 S 0.32354058180639 0.42605480999335 0.69514997407546 32.065 > 9 16 S 0.57394519000665 0.32354058180639 0.30485002592454 32.065 > 10 17 S 0.17645941819361 0.07394519000665 0.19514997407546 32.065 > 11 18 S 0.92605480999335 0.17645941819361 0.80485002592454 32.065 > 12 19 S 0.57394519000665 0.17645941819361 0.94514997407546 32.065 > 13 20 S 0.17645941819361 0.42605480999335 0.05485002592454 32.065 > 14 21 S 0.42605480999335 0.82354058180639 0.94514997407546 32.065 > 7 22 S 0.82354058180639 0.57394519000665 0.05485002592454 32.065 > 8 23 S 0.82354058180639 0.92605480999335 0.19514997407546 32.065 > 9 24 S 0.07394519000665 0.82354058180639 0.80485002592454 32.065 > 10 25 S 0.67645941819361 0.57394519000665 0.69514997407546 32.065 > 11 26 S 0.42605480999335 0.67645941819361 0.30485002592454 32.065 > 12 27 S 0.07394519000665 0.67645941819361 0.44514997407546 32.065 > 13 28 S 0.67645941819361 0.92605480999335 0.55485002592454 32.065 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 8.213514650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.213514650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.376991839999999Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 1 3 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 2 4 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 2 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 7 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 2 8 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 2 *9 Y 0.12792200192196 0.75000000000000 0.06250000000000 88.906 > 3 10 Y 0.12792200192196 0.75000000000000 0.56250000000000 88.906 > 3 11 Y 0.25000000000000 0.37207799807804 0.18750000000000 88.906 > 4 12 Y 0.25000000000000 0.37207799807804 0.68750000000000 88.906 > 4 13 Y 0.37207799807804 0.75000000000000 0.31250000000000 88.906 > 5 14 Y 0.37207799807804 0.75000000000000 0.81250000000000 88.906 > 5 15 Y 0.25000000000000 0.12792200192196 0.43750000000000 88.906 > 6 16 Y 0.25000000000000 0.12792200192196 0.93750000000000 88.906 > 6 17 Y 0.62792200192196 0.25000000000000 0.31250000000000 88.906 > 3 18 Y 0.62792200192196 0.25000000000000 0.81250000000000 88.906 > 3 19 Y 0.75000000000000 0.87207799807804 0.43750000000000 88.906 > 4 20 Y 0.75000000000000 0.87207799807804 0.93750000000000 88.906 > 4 21 Y 0.87207799807804 0.25000000000000 0.06250000000000 88.906 > 5 22 Y 0.87207799807804 0.25000000000000 0.56250000000000 88.906 > 5 23 Y 0.75000000000000 0.62792200192196 0.18750000000000 88.906 > 6 24 Y 0.75000000000000 0.62792200192196 0.68750000000000 88.906 > 6 *25 S 0.92605480999335 0.32354058180639 0.22257498703773 32.065 > 7 26 S 0.92605480999335 0.32354058180639 0.72257498703773 32.065 > 7 27 S 0.32354058180639 0.07394519000665 0.27742501296227 32.065 > 8 28 S 0.32354058180639 0.07394519000665 0.77742501296227 32.065 > 8 29 S 0.32354058180639 0.42605480999335 0.34757498703773 32.065 > 9 30 S 0.32354058180639 0.42605480999335 0.84757498703773 32.065 > 9 31 S 0.57394519000665 0.32354058180639 0.15242501296227 32.065 > 10 32 S 0.57394519000665 0.32354058180639 0.65242501296227 32.065 > 10 33 S 0.17645941819361 0.07394519000665 0.09757498703773 32.065 > 11 34 S 0.17645941819361 0.07394519000665 0.59757498703773 32.065 > 11 35 S 0.92605480999335 0.17645941819361 0.40242501296227 32.065 > 12 36 S 0.92605480999335 0.17645941819361 0.90242501296227 32.065 > 12 37 S 0.57394519000665 0.17645941819361 0.47257498703773 32.065 > 13 38 S 0.57394519000665 0.17645941819361 0.97257498703773 32.065 > 13 39 S 0.17645941819361 0.42605480999335 0.02742501296227 32.065 > 14 40 S 0.17645941819361 0.42605480999335 0.52742501296227 32.065 > 14 41 S 0.42605480999335 0.82354058180639 0.47257498703773 32.065 > 7 42 S 0.42605480999335 0.82354058180639 0.97257498703773 32.065 > 7 43 S 0.82354058180639 0.57394519000665 0.02742501296227 32.065 > 8 44 S 0.82354058180639 0.57394519000665 0.52742501296227 32.065 > 8 45 S 0.82354058180639 0.92605480999335 0.09757498703773 32.065 > 9 46 S 0.82354058180639 0.92605480999335 0.59757498703773 32.065 > 9 47 S 0.07394519000665 0.82354058180639 0.40242501296227 32.065 > 10 48 S 0.07394519000665 0.82354058180639 0.90242501296227 32.065 > 10 49 S 0.67645941819361 0.57394519000665 0.34757498703773 32.065 > 11 50 S 0.67645941819361 0.57394519000665 0.84757498703773 32.065 > 11 51 S 0.42605480999335 0.67645941819361 0.15242501296227 32.065 > 12 52 S 0.42605480999335 0.67645941819361 0.65242501296227 32.065 > 12 53 S 0.07394519000665 0.67645941819361 0.22257498703773 32.065 > 13 54 S 0.07394519000665 0.67645941819361 0.72257498703773 32.065 > 13 55 S 0.67645941819361 0.92605480999335 0.27742501296227 32.065 > 14 56 S 0.67645941819361 0.92605480999335 0.77742501296227 32.065 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.2750637 0.0000000 0.0000000 0.0000000 8.2750637 0.0000000 0.0000000 0.0000000 8.1935962-------------------------- Born effective charges -------------------------- 1 Yb 2.4558573 -0.0829541 0.0000000 0.0829541 2.4558573 -0.0000000 0.0000000 0.0000000 2.7872664 2 Yb 2.4558573 0.0829541 0.0000000 -0.0829541 2.4558573 -0.0000000 0.0000000 0.0000000 2.7872664 3 Y 3.7955990 0.0000000 0.0000000 0.0000000 4.0300191 -0.2719757 0.0000000 -0.2217284 3.7319999 4 Y 4.0300191 0.0000000 0.2719757 0.0000000 3.7955990 -0.0000000 0.2217284 0.0000000 3.7319999 5 Y 3.7955990 0.0000000 0.0000000 0.0000000 4.0300191 0.2719757 0.0000000 0.2217284 3.7319999 6 Y 4.0300191 0.0000000 -0.2719757 0.0000000 3.7955990 -0.0000000 -0.2217284 0.0000000 3.7319999 7 S -2.8459821 0.1392808 0.2210326 0.1457807 -2.2947556 -0.1720444 0.3681286 -0.0599976 -2.5628166 8 S -2.2947556 -0.1457807 0.1720444 -0.1392808 -2.8459821 0.2210326 0.0599976 0.3681286 -2.5628166 9 S -2.2947556 0.1457807 -0.1720444 0.1392808 -2.8459821 0.2210326 -0.0599976 0.3681286 -2.5628166 10 S -2.8459821 -0.1392808 0.2210326 -0.1457807 -2.2947556 0.1720444 0.3681286 0.0599976 -2.5628166 11 S -2.2947556 0.1457807 0.1720444 0.1392808 -2.8459821 -0.2210326 0.0599976 -0.3681286 -2.5628166 12 S -2.8459821 -0.1392808 -0.2210326 -0.1457807 -2.2947556 -0.1720444 -0.3681286 -0.0599976 -2.5628166 13 S -2.8459821 0.1392808 -0.2210326 0.1457807 -2.2947556 0.1720444 -0.3681286 0.0599976 -2.5628166 14 S -2.2947556 -0.1457807 -0.1720444 -0.1392808 -2.8459821 -0.2210326 -0.0599976 -0.3681286 -2.5628166----------------------------------------------------------------------------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: 168/168Permutation basis: 4326/4326Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 474Number of blocks in projector: 474Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 123Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 96Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 63Use standard eigh solver.Tree of FC basis block matrices:- (474, 457), data: False|-- (63, 60), data: True|-- (96, 93), data: True|-- (123, 118), data: True|-- (192, 186), data: True-----Solver_atoms: 1 -- 56 / 56Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 240 - Time: 0.211Solver_block: 200 / 240 - Time: 0.220Solver_block: 240 / 240 - Time: 0.102Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.542--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 168/168Permutation basis: 4326/4326Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 474Number of blocks in projector: 474Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 123Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 96Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 63Use standard eigh solver.Tree of FC basis block matrices:- (474, 457), data: False|-- (63, 60), data: True|-- (96, 93), data: True|-- (123, 118), data: True|-- (192, 186), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:37:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:37:10]-------------------------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): [1 1 2]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-42d (122)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.106757325000000 4.106757325000000 4.094247960000000 b 4.106757325000000 -4.106757325000000 4.094247960000000 c 4.106757325000000 4.106757325000000 -4.094247960000000Atomic positions (fractional): 1 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 2 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 3 Y 0.87500000000000 0.25292200192196 0.87792200192196 88.906 4 Y 0.74707799807804 0.62500000000000 0.62207799807804 88.906 5 Y 0.37500000000000 0.99707799807804 0.12207799807804 88.906 6 Y 0.00292200192196 0.12500000000000 0.37792200192196 88.906 7 S 0.76869055588185 0.37120478406881 0.24959539179975 32.065 8 S 0.62879521593119 0.87839060773094 0.39748577181304 32.065 9 S 0.12120478406881 0.01869055588185 0.74959539179975 32.065 10 S 0.62839060773094 0.87879521593119 0.89748577181304 32.065 11 S 0.26909516408210 0.37160939226906 0.25040460820025 32.065 12 S 0.98130944411815 0.73090483591790 0.10251422818696 32.065 13 S 0.12160939226906 0.51909516408210 0.75040460820025 32.065 14 S 0.48090483591790 0.23130944411815 0.60251422818696 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 8.213514650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.213514650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.376991839999999Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 1 3 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 3 4 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 3 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 7 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 3 8 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 3 9 Y 0.12792200192196 0.75000000000000 0.06250000000000 88.906 > 9 10 Y 0.12792200192196 0.75000000000000 0.56250000000000 88.906 > 9 11 Y 0.25000000000000 0.37207799807804 0.18750000000000 88.906 > 11 12 Y 0.25000000000000 0.37207799807804 0.68750000000000 88.906 > 11 13 Y 0.37207799807804 0.75000000000000 0.31250000000000 88.906 > 13 14 Y 0.37207799807804 0.75000000000000 0.81250000000000 88.906 > 13 15 Y 0.25000000000000 0.12792200192196 0.43750000000000 88.906 > 15 16 Y 0.25000000000000 0.12792200192196 0.93750000000000 88.906 > 15 17 Y 0.62792200192196 0.25000000000000 0.31250000000000 88.906 > 9 18 Y 0.62792200192196 0.25000000000000 0.81250000000000 88.906 > 9 19 Y 0.75000000000000 0.87207799807804 0.43750000000000 88.906 > 11 20 Y 0.75000000000000 0.87207799807804 0.93750000000000 88.906 > 11 21 Y 0.87207799807804 0.25000000000000 0.06250000000000 88.906 > 13 22 Y 0.87207799807804 0.25000000000000 0.56250000000000 88.906 > 13 23 Y 0.75000000000000 0.62792200192196 0.18750000000000 88.906 > 15 24 Y 0.75000000000000 0.62792200192196 0.68750000000000 88.906 > 15 25 S 0.92605480999335 0.32354058180639 0.22257498703773 32.065 > 25 26 S 0.92605480999335 0.32354058180639 0.72257498703773 32.065 > 25 27 S 0.32354058180639 0.07394519000665 0.27742501296227 32.065 > 27 28 S 0.32354058180639 0.07394519000665 0.77742501296227 32.065 > 27 29 S 0.32354058180639 0.42605480999335 0.34757498703773 32.065 > 29 30 S 0.32354058180639 0.42605480999335 0.84757498703773 32.065 > 29 31 S 0.57394519000665 0.32354058180639 0.15242501296227 32.065 > 31 32 S 0.57394519000665 0.32354058180639 0.65242501296227 32.065 > 31 33 S 0.17645941819361 0.07394519000665 0.09757498703773 32.065 > 33 34 S 0.17645941819361 0.07394519000665 0.59757498703773 32.065 > 33 35 S 0.92605480999335 0.17645941819361 0.40242501296227 32.065 > 35 36 S 0.92605480999335 0.17645941819361 0.90242501296227 32.065 > 35 37 S 0.57394519000665 0.17645941819361 0.47257498703773 32.065 > 37 38 S 0.57394519000665 0.17645941819361 0.97257498703773 32.065 > 37 39 S 0.17645941819361 0.42605480999335 0.02742501296227 32.065 > 39 40 S 0.17645941819361 0.42605480999335 0.52742501296227 32.065 > 39 41 S 0.42605480999335 0.82354058180639 0.47257498703773 32.065 > 25 42 S 0.42605480999335 0.82354058180639 0.97257498703773 32.065 > 25 43 S 0.82354058180639 0.57394519000665 0.02742501296227 32.065 > 27 44 S 0.82354058180639 0.57394519000665 0.52742501296227 32.065 > 27 45 S 0.82354058180639 0.92605480999335 0.09757498703773 32.065 > 29 46 S 0.82354058180639 0.92605480999335 0.59757498703773 32.065 > 29 47 S 0.07394519000665 0.82354058180639 0.40242501296227 32.065 > 31 48 S 0.07394519000665 0.82354058180639 0.90242501296227 32.065 > 31 49 S 0.67645941819361 0.57394519000665 0.34757498703773 32.065 > 33 50 S 0.67645941819361 0.57394519000665 0.84757498703773 32.065 > 33 51 S 0.42605480999335 0.67645941819361 0.15242501296227 32.065 > 35 52 S 0.42605480999335 0.67645941819361 0.65242501296227 32.065 > 35 53 S 0.07394519000665 0.67645941819361 0.22257498703773 32.065 > 37 54 S 0.07394519000665 0.67645941819361 0.72257498703773 32.065 > 37 55 S 0.67645941819361 0.92605480999335 0.27742501296227 32.065 > 39 56 S 0.67645941819361 0.92605480999335 0.77742501296227 32.065 > 39----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.2750637 0.0000000 0.0000000 0.0000000 8.2750637 0.0000000 0.0000000 0.0000000 8.1935962-------------------------- Born effective charges -------------------------- 1 Yb 2.4558573 -0.0829541 0.0000000 0.0829541 2.4558573 -0.0000000 0.0000000 0.0000000 2.7872664 2 Yb 2.4558573 0.0829541 0.0000000 -0.0829541 2.4558573 -0.0000000 0.0000000 0.0000000 2.7872664 3 Y 3.7955990 0.0000000 0.0000000 0.0000000 4.0300191 -0.2719757 0.0000000 -0.2217284 3.7319999 4 Y 4.0300191 0.0000000 0.2719757 0.0000000 3.7955990 -0.0000000 0.2217284 0.0000000 3.7319999 5 Y 3.7955990 0.0000000 0.0000000 0.0000000 4.0300191 0.2719757 0.0000000 0.2217284 3.7319999 6 Y 4.0300191 0.0000000 -0.2719757 0.0000000 3.7955990 -0.0000000 -0.2217284 0.0000000 3.7319999 7 S -2.8459821 0.1392808 0.2210326 0.1457807 -2.2947556 -0.1720444 0.3681286 -0.0599976 -2.5628166 8 S -2.2947556 -0.1457807 0.1720444 -0.1392808 -2.8459821 0.2210326 0.0599976 0.3681286 -2.5628166 9 S -2.2947556 0.1457807 -0.1720444 0.1392808 -2.8459821 0.2210326 -0.0599976 0.3681286 -2.5628166 10 S -2.8459821 -0.1392808 0.2210326 -0.1457807 -2.2947556 0.1720444 0.3681286 0.0599976 -2.5628166 11 S -2.2947556 0.1457807 0.1720444 0.1392808 -2.8459821 -0.2210326 0.0599976 -0.3681286 -2.5628166 12 S -2.8459821 -0.1392808 -0.2210326 -0.1457807 -2.2947556 -0.1720444 -0.3681286 -0.0599976 -2.5628166 13 S -2.8459821 0.1392808 -0.2210326 0.1457807 -2.2947556 0.1720444 -0.3681286 0.0599976 -2.5628166 14 S -2.2947556 -0.1457807 -0.1720444 -0.1392808 -2.8459821 -0.2210326 -0.0599976 -0.3681286 -2.5628166----------------------------------------------------------------------------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[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 21:37:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:37:14]-------------------------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): [1 1 2]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-42d (122)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.106757325000000 4.106757325000000 4.094247960000000 b 4.106757325000000 -4.106757325000000 4.094247960000000 c 4.106757325000000 4.106757325000000 -4.094247960000000Atomic positions (fractional): 1 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 2 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 3 Y 0.87500000000000 0.25292200192196 0.87792200192196 88.906 4 Y 0.74707799807804 0.62500000000000 0.62207799807804 88.906 5 Y 0.37500000000000 0.99707799807804 0.12207799807804 88.906 6 Y 0.00292200192196 0.12500000000000 0.37792200192196 88.906 7 S 0.76869055588185 0.37120478406881 0.24959539179975 32.065 8 S 0.62879521593119 0.87839060773094 0.39748577181304 32.065 9 S 0.12120478406881 0.01869055588185 0.74959539179975 32.065 10 S 0.62839060773094 0.87879521593119 0.89748577181304 32.065 11 S 0.26909516408210 0.37160939226906 0.25040460820025 32.065 12 S 0.98130944411815 0.73090483591790 0.10251422818696 32.065 13 S 0.12160939226906 0.51909516408210 0.75040460820025 32.065 14 S 0.48090483591790 0.23130944411815 0.60251422818696 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 8.213514650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.213514650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.376991839999999Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 1 3 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 3 4 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 3 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 7 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 3 8 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 3 9 Y 0.12792200192196 0.75000000000000 0.06250000000000 88.906 > 9 10 Y 0.12792200192196 0.75000000000000 0.56250000000000 88.906 > 9 11 Y 0.25000000000000 0.37207799807804 0.18750000000000 88.906 > 11 12 Y 0.25000000000000 0.37207799807804 0.68750000000000 88.906 > 11 13 Y 0.37207799807804 0.75000000000000 0.31250000000000 88.906 > 13 14 Y 0.37207799807804 0.75000000000000 0.81250000000000 88.906 > 13 15 Y 0.25000000000000 0.12792200192196 0.43750000000000 88.906 > 15 16 Y 0.25000000000000 0.12792200192196 0.93750000000000 88.906 > 15 17 Y 0.62792200192196 0.25000000000000 0.31250000000000 88.906 > 9 18 Y 0.62792200192196 0.25000000000000 0.81250000000000 88.906 > 9 19 Y 0.75000000000000 0.87207799807804 0.43750000000000 88.906 > 11 20 Y 0.75000000000000 0.87207799807804 0.93750000000000 88.906 > 11 21 Y 0.87207799807804 0.25000000000000 0.06250000000000 88.906 > 13 22 Y 0.87207799807804 0.25000000000000 0.56250000000000 88.906 > 13 23 Y 0.75000000000000 0.62792200192196 0.18750000000000 88.906 > 15 24 Y 0.75000000000000 0.62792200192196 0.68750000000000 88.906 > 15 25 S 0.92605480999335 0.32354058180639 0.22257498703773 32.065 > 25 26 S 0.92605480999335 0.32354058180639 0.72257498703773 32.065 > 25 27 S 0.32354058180639 0.07394519000665 0.27742501296227 32.065 > 27 28 S 0.32354058180639 0.07394519000665 0.77742501296227 32.065 > 27 29 S 0.32354058180639 0.42605480999335 0.34757498703773 32.065 > 29 30 S 0.32354058180639 0.42605480999335 0.84757498703773 32.065 > 29 31 S 0.57394519000665 0.32354058180639 0.15242501296227 32.065 > 31 32 S 0.57394519000665 0.32354058180639 0.65242501296227 32.065 > 31 33 S 0.17645941819361 0.07394519000665 0.09757498703773 32.065 > 33 34 S 0.17645941819361 0.07394519000665 0.59757498703773 32.065 > 33 35 S 0.92605480999335 0.17645941819361 0.40242501296227 32.065 > 35 36 S 0.92605480999335 0.17645941819361 0.90242501296227 32.065 > 35 37 S 0.57394519000665 0.17645941819361 0.47257498703773 32.065 > 37 38 S 0.57394519000665 0.17645941819361 0.97257498703773 32.065 > 37 39 S 0.17645941819361 0.42605480999335 0.02742501296227 32.065 > 39 40 S 0.17645941819361 0.42605480999335 0.52742501296227 32.065 > 39 41 S 0.42605480999335 0.82354058180639 0.47257498703773 32.065 > 25 42 S 0.42605480999335 0.82354058180639 0.97257498703773 32.065 > 25 43 S 0.82354058180639 0.57394519000665 0.02742501296227 32.065 > 27 44 S 0.82354058180639 0.57394519000665 0.52742501296227 32.065 > 27 45 S 0.82354058180639 0.92605480999335 0.09757498703773 32.065 > 29 46 S 0.82354058180639 0.92605480999335 0.59757498703773 32.065 > 29 47 S 0.07394519000665 0.82354058180639 0.40242501296227 32.065 > 31 48 S 0.07394519000665 0.82354058180639 0.90242501296227 32.065 > 31 49 S 0.67645941819361 0.57394519000665 0.34757498703773 32.065 > 33 50 S 0.67645941819361 0.57394519000665 0.84757498703773 32.065 > 33 51 S 0.42605480999335 0.67645941819361 0.15242501296227 32.065 > 35 52 S 0.42605480999335 0.67645941819361 0.65242501296227 32.065 > 35 53 S 0.07394519000665 0.67645941819361 0.22257498703773 32.065 > 37 54 S 0.07394519000665 0.67645941819361 0.72257498703773 32.065 > 37 55 S 0.67645941819361 0.92605480999335 0.27742501296227 32.065 > 39 56 S 0.67645941819361 0.92605480999335 0.77742501296227 32.065 > 39----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.2750637 0.0000000 0.0000000 0.0000000 8.2750637 0.0000000 0.0000000 0.0000000 8.1935962-------------------------- Born effective charges -------------------------- 1 Yb 2.4558573 -0.0829541 0.0000000 0.0829541 2.4558573 -0.0000000 0.0000000 0.0000000 2.7872664 2 Yb 2.4558573 0.0829541 0.0000000 -0.0829541 2.4558573 -0.0000000 0.0000000 0.0000000 2.7872664 3 Y 3.7955990 0.0000000 0.0000000 0.0000000 4.0300191 -0.2719757 0.0000000 -0.2217284 3.7319999 4 Y 4.0300191 0.0000000 0.2719757 0.0000000 3.7955990 -0.0000000 0.2217284 0.0000000 3.7319999 5 Y 3.7955990 0.0000000 0.0000000 0.0000000 4.0300191 0.2719757 0.0000000 0.2217284 3.7319999 6 Y 4.0300191 0.0000000 -0.2719757 0.0000000 3.7955990 -0.0000000 -0.2217284 0.0000000 3.7319999 7 S -2.8459821 0.1392808 0.2210326 0.1457807 -2.2947556 -0.1720444 0.3681286 -0.0599976 -2.5628166 8 S -2.2947556 -0.1457807 0.1720444 -0.1392808 -2.8459821 0.2210326 0.0599976 0.3681286 -2.5628166 9 S -2.2947556 0.1457807 -0.1720444 0.1392808 -2.8459821 0.2210326 -0.0599976 0.3681286 -2.5628166 10 S -2.8459821 -0.1392808 0.2210326 -0.1457807 -2.2947556 0.1720444 0.3681286 0.0599976 -2.5628166 11 S -2.2947556 0.1457807 0.1720444 0.1392808 -2.8459821 -0.2210326 0.0599976 -0.3681286 -2.5628166 12 S -2.8459821 -0.1392808 -0.2210326 -0.1457807 -2.2947556 -0.1720444 -0.3681286 -0.0599976 -2.5628166 13 S -2.8459821 0.1392808 -0.2210326 0.1457807 -2.2947556 0.1720444 -0.3681286 0.0599976 -2.5628166 14 S -2.2947556 -0.1457807 -0.1720444 -0.1392808 -2.8459821 -0.2210326 -0.0599976 -0.3681286 -2.5628166----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 9 ]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: 0.64, Number of G-points: 321, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/75) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating 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 2.108 ( 0.000 0.000 0.000) 0.000 2.549 ( -0.000 0.000 0.000) 0.000 2.549 ( 0.000 -0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 -0.000 0.000) 0.000 3.076 ( 0.000 -0.000 0.000) 0.000 3.076 ( 0.000 -0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 4.010 ( -0.000 -0.000 0.000) 0.000 4.166 ( -0.000 0.000 0.000) 0.000 4.166 ( -0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.760 ( -0.000 -0.000 0.000) 0.000 4.760 ( -0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 -0.000 0.000) 0.000 6.508 ( 0.000 -0.000 0.000) 0.000 6.508 ( 0.000 -0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 -0.000 0.000) 0.000 7.235 ( -0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.972 ( -0.000 -0.000 0.000) 0.000 8.325 ( 0.000 -0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.684 ( -0.000 0.000 0.000) 0.000 8.937 ( 0.000 -0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 -0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/75) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( -0.000 16.853 19.910) 26.085 0.561 ( -0.000 20.385 20.047) 28.591 0.945 ( -0.000 30.053 37.054) 47.709 2.105 ( 0.000 -0.088 -0.242) 0.257 2.550 ( 0.000 0.838 -0.867) 1.206 2.551 ( 0.000 0.940 -1.270) 1.580 2.714 ( -0.000 -1.298 1.480) 1.969 2.911 ( 0.000 -6.512 1.894) 6.782 3.074 ( -0.000 -0.365 0.225) 0.429 3.133 ( -0.000 5.938 -0.570) 5.965 3.696 ( -0.000 -2.234 4.066) 4.639 3.899 ( 0.000 -5.231 -5.987) 7.950 4.121 ( 0.000 -2.321 -2.976) 3.775 4.203 ( 0.000 6.766 -7.635) 10.202 4.443 ( -0.000 -4.681 9.818) 10.877 4.726 ( -0.000 -5.877 4.428) 7.358 4.831 ( 0.000 0.468 -2.062) 2.115 4.940 ( -0.000 2.891 4.057) 4.981 5.822 ( 0.000 -4.553 1.608) 4.828 5.914 ( -0.000 -0.081 0.828) 0.832 5.956 ( -0.000 2.881 1.235) 3.135 5.963 ( -0.000 5.337 1.976) 5.691 6.165 ( 0.000 -3.313 -0.496) 3.350 6.313 ( 0.000 5.450 -9.059) 10.573 6.380 ( -0.000 0.107 1.365) 1.369 6.499 ( 0.000 1.881 -3.225) 3.733 6.613 ( 0.000 15.195 -20.468) 25.491 7.172 ( 0.000 -5.085 -3.909) 6.414 7.205 ( 0.000 -1.027 -2.930) 3.105 7.362 ( 0.000 -5.749 -2.894) 6.437 7.468 ( -0.000 5.879 -0.750) 5.927 7.677 ( -0.000 0.925 5.803) 5.876 7.755 ( -0.000 10.624 2.116) 10.833 8.002 ( -0.000 2.417 1.690) 2.949 8.355 ( -0.000 -0.133 4.192) 4.194 8.543 ( 0.000 -0.230 -1.857) 1.872 8.650 ( 0.000 -1.690 -3.329) 3.734 8.935 ( 0.000 2.690 -2.764) 3.856 9.074 ( -0.000 -6.551 6.610) 9.306 9.116 ( 0.000 -0.847 0.027) 0.847 9.355 ( 0.000 -12.709 5.084) 13.688 9.530 ( -0.000 -2.639 4.531) 5.243======================= Grid point 2 (3/75) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( -0.000 15.619 18.809) 24.449 1.083 ( -0.000 17.822 18.225) 25.491 1.762 ( -0.000 22.376 27.575) 35.511 2.105 ( -0.000 0.877 -0.116) 0.884 2.522 ( 0.000 -0.624 -3.542) 3.597 2.556 ( 0.000 1.933 -1.152) 2.251 2.716 ( 0.000 0.195 -0.346) 0.397 2.872 ( -0.000 -4.448 4.218) 6.130 3.083 ( -0.000 0.698 1.707) 1.844 3.216 ( -0.000 5.391 2.104) 5.787 3.709 ( -0.000 -5.829 4.578) 7.412 3.780 ( 0.000 1.167 -6.121) 6.231 4.059 ( 0.000 -0.423 -2.207) 2.247 4.121 ( 0.000 1.146 -11.277) 11.336 4.496 ( -0.000 -2.445 4.262) 4.913 4.724 ( -0.000 -5.002 4.396) 6.660 4.817 ( -0.000 -0.878 0.708) 1.128 5.011 ( -0.000 -0.501 3.599) 3.634 5.774 ( 0.000 -6.063 2.165) 6.438 5.920 ( -0.000 -0.802 1.188) 1.433 6.009 ( -0.000 1.785 2.073) 2.735 6.066 ( -0.000 -0.451 0.721) 0.850 6.132 ( -0.000 1.715 1.774) 2.468 6.270 ( 0.000 2.047 -2.664) 3.360 6.412 ( -0.000 1.501 1.162) 1.898 6.477 ( 0.000 2.675 -4.327) 5.087 6.519 ( 0.000 3.527 -10.581) 11.153 7.015 ( 0.000 -6.669 -5.746) 8.803 7.143 ( 0.000 -1.250 -3.659) 3.867 7.254 ( 0.000 -2.097 -5.525) 5.909 7.573 ( -0.000 6.385 3.656) 7.357 7.795 ( -0.000 2.371 7.567) 7.929 7.930 ( -0.000 8.977 3.699) 9.710 8.071 ( -0.000 3.926 1.740) 4.295 8.408 ( -0.000 -1.051 3.185) 3.353 8.518 ( 0.000 0.043 -1.487) 1.487 8.552 ( 0.000 -1.998 -6.103) 6.422 8.933 ( 0.000 2.740 -3.408) 4.373 9.054 ( 0.000 -4.086 1.264) 4.277 9.125 ( -0.000 0.663 1.482) 1.624 9.232 ( 0.000 -13.778 3.740) 14.277 9.539 ( 0.000 0.372 -1.081) 1.143======================= Grid point 3 (4/75) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -0.000 13.532 17.003) 21.731 1.523 ( -0.000 13.682 14.638) 20.037 2.074 ( -0.000 -0.243 0.568) 0.618 2.247 ( -0.000 6.877 7.890) 10.466 2.418 ( 0.000 -4.183 -7.611) 8.685 2.568 ( 0.000 1.189 -0.825) 1.447 2.729 ( -0.000 2.529 0.382) 2.558 2.881 ( -0.000 -1.525 1.104) 1.883 3.177 ( -0.000 5.353 5.603) 7.749 3.390 ( -0.000 6.880 12.213) 14.017 3.658 ( 0.000 -4.860 1.882) 5.211 3.771 ( 0.000 5.583 -4.318) 7.058 3.974 ( 0.000 0.524 -8.581) 8.597 4.056 ( -0.000 -0.867 1.494) 1.727 4.481 ( 0.000 -4.069 0.484) 4.098 4.694 ( 0.000 -4.311 -0.687) 4.365 4.791 ( 0.000 -4.721 0.375) 4.736 5.033 ( -0.000 -0.888 1.736) 1.950 5.720 ( 0.000 -4.901 1.052) 5.013 5.933 ( -0.000 -0.616 2.300) 2.381 6.018 ( 0.000 -3.304 0.444) 3.334 6.049 ( 0.000 1.437 -0.979) 1.739 6.151 ( 0.000 1.512 -2.174) 2.648 6.286 ( 0.000 -0.344 -3.278) 3.296 6.432 ( 0.000 0.336 -2.347) 2.371 6.465 ( -0.000 4.931 1.897) 5.284 6.513 ( -0.000 2.714 2.338) 3.582 6.875 ( 0.000 -3.935 -3.025) 4.963 7.069 ( 0.000 -1.486 -5.078) 5.291 7.154 ( 0.000 -1.100 -5.551) 5.658 7.731 ( -0.000 6.282 6.707) 9.190 7.926 ( -0.000 2.761 6.208) 6.795 8.078 ( -0.000 3.517 4.067) 5.377 8.151 ( -0.000 4.788 0.988) 4.888 8.395 ( 0.000 -3.466 -7.893) 8.621 8.413 ( -0.000 0.920 -0.308) 0.970 8.553 ( -0.000 1.501 0.658) 1.639 8.903 ( 0.000 -2.042 -1.969) 2.837 9.017 ( 0.000 -2.165 -0.550) 2.234 9.081 ( 0.000 -7.315 -1.696) 7.509 9.185 ( -0.000 -0.584 5.037) 5.071 9.510 ( 0.000 -0.572 -2.801) 2.859======================= Grid point 4 (5/75) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( -0.000 8.451 11.872) 14.573 1.834 ( -0.000 7.973 8.396) 11.579 2.049 ( 0.000 -0.444 -1.285) 1.359 2.200 ( 0.000 -8.005 -10.093) 12.882 2.343 ( -0.000 0.541 1.102) 1.228 2.558 ( 0.000 -0.571 -0.587) 0.819 2.776 ( -0.000 2.485 0.318) 2.505 2.862 ( 0.000 -0.695 -0.715) 0.997 3.328 ( -0.000 4.268 6.101) 7.446 3.467 ( 0.000 -2.200 -3.814) 4.403 3.712 ( 0.000 -2.341 -4.055) 4.682 3.837 ( -0.000 6.351 12.835) 14.321 4.022 ( 0.000 -1.265 -3.106) 3.354 4.043 ( -0.000 9.449 5.209) 10.790 4.435 ( 0.000 -1.744 -0.212) 1.757 4.516 ( 0.000 -10.148 -8.500) 13.238 4.761 ( -0.000 -1.706 1.482) 2.260 5.041 ( -0.000 0.080 0.243) 0.256 5.679 ( 0.000 -1.847 0.042) 1.848 5.960 ( -0.000 -0.086 1.772) 1.774 5.994 ( -0.000 -1.172 0.566) 1.301 6.040 ( 0.000 0.565 -1.543) 1.643 6.151 ( -0.000 0.579 -0.195) 0.611 6.210 ( 0.000 -1.125 -3.298) 3.484 6.410 ( 0.000 -0.428 -0.488) 0.649 6.518 ( -0.000 0.780 -0.103) 0.787 6.628 ( -0.000 3.420 4.062) 5.310 6.853 ( -0.000 -0.045 3.852) 3.853 6.958 ( 0.000 -1.774 -7.306) 7.518 7.088 ( 0.000 -0.612 -2.240) 2.322 7.913 ( -0.000 5.128 7.736) 9.281 8.031 ( -0.000 2.262 3.706) 4.342 8.091 ( 0.000 -3.282 -2.474) 4.111 8.171 ( 0.000 0.216 -4.609) 4.614 8.292 ( 0.000 0.020 -0.797) 0.798 8.476 ( -0.000 3.189 4.098) 5.193 8.552 ( 0.000 1.001 -3.718) 3.851 8.835 ( 0.000 -4.962 0.275) 4.969 8.959 ( 0.000 -1.985 -1.494) 2.484 9.022 ( 0.000 -0.525 -0.385) 0.651 9.250 ( -0.000 1.074 2.611) 2.823 9.460 ( 0.000 -0.918 -2.134) 2.323======================= Grid point 10 (6/75) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 10.808 10.808 21.035) 26.002 0.925 ( 11.494 11.494 20.701) 26.320 1.591 ( 13.685 13.685 35.951) 40.829 2.101 ( 0.241 0.241 -0.510) 0.614 2.533 ( 0.567 0.567 -2.065) 2.215 2.535 ( 0.822 0.822 -2.377) 2.646 2.714 ( -0.039 -0.039 -0.268) 0.274 2.919 ( -3.714 -3.714 4.065) 6.641 3.067 ( -1.139 -1.139 -0.063) 1.612 3.176 ( 4.546 4.546 2.600) 6.935 3.738 ( -3.097 -3.097 2.052) 4.837 3.800 ( -0.054 -0.054 -4.484) 4.485 4.039 ( -1.456 -1.456 -6.351) 6.677 4.119 ( 2.657 2.657 -8.220) 9.038 4.521 ( -2.372 -2.372 5.412) 6.367 4.757 ( -2.614 -2.614 4.162) 5.567 4.829 ( 0.969 0.969 -1.382) 1.946 5.013 ( -0.514 -0.514 5.846) 5.891 5.850 ( -4.085 -4.085 1.923) 6.089 5.876 ( -1.198 -1.198 2.940) 3.393 5.969 ( -0.490 -0.490 2.201) 2.308 6.087 ( 3.857 3.857 5.024) 7.416 6.153 ( -1.169 -1.169 -2.016) 2.607 6.239 ( 3.541 3.541 -3.389) 6.047 6.365 ( -2.731 -2.731 -0.763) 3.936 6.446 ( 0.231 0.231 -0.550) 0.639 6.518 ( 4.468 4.468 -8.604) 10.675 7.101 ( -3.524 -3.524 -5.840) 7.677 7.116 ( -2.666 -2.666 -3.877) 5.408 7.271 ( -0.225 -0.225 -7.598) 7.605 7.520 ( 2.733 2.733 5.545) 6.758 7.812 ( 2.925 2.925 5.583) 6.949 7.837 ( 5.271 5.271 6.727) 10.041 8.045 ( 2.878 2.878 1.522) 4.345 8.416 ( -0.413 -0.413 3.351) 3.401 8.518 ( 0.413 0.413 -0.961) 1.125 8.569 ( -0.868 -0.868 -7.625) 7.724 8.902 ( 3.087 3.087 -4.557) 6.310 9.098 ( -1.185 -1.185 0.948) 1.925 9.102 ( -0.680 -0.680 -0.846) 1.280 9.394 ( -1.321 -1.321 -0.528) 1.941 9.495 ( -8.358 -8.358 3.663) 12.374======================= Grid point 11 (7/75) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 8.062 10.548 19.325) 23.446 1.370 ( 5.218 13.230 17.750) 22.745 2.086 ( 2.459 0.670 2.529) 3.590 2.145 ( 2.855 9.234 13.286) 16.430 2.476 ( 1.948 -2.314 -4.745) 5.627 2.531 ( -0.926 2.769 -2.131) 3.615 2.721 ( 1.366 1.059 0.679) 1.857 2.931 ( 0.786 -4.269 4.182) 6.027 3.073 ( -5.470 2.082 2.319) 6.295 3.347 ( 6.298 7.253 12.243) 15.562 3.681 ( 0.735 2.601 -7.015) 7.517 3.754 ( -1.131 -4.560 0.100) 4.699 3.942 ( -2.442 0.760 -7.857) 8.262 4.075 ( 2.893 1.675 -0.860) 3.452 4.531 ( -1.609 -4.128 2.168) 4.932 4.750 ( 0.215 -3.212 -0.091) 3.220 4.815 ( -0.213 0.427 -2.214) 2.265 5.058 ( -1.927 -3.715 4.682) 6.280 5.794 ( -1.330 -6.553 1.561) 6.866 5.913 ( -4.084 -0.056 2.296) 4.685 5.980 ( -4.424 -2.229 1.680) 5.231 6.089 ( -0.012 -2.371 -2.389) 3.366 6.141 ( 1.888 2.126 -1.292) 3.123 6.296 ( -0.517 -2.600 1.292) 2.949 6.374 ( -0.052 5.963 5.085) 7.837 6.450 ( 0.472 -0.490 -2.222) 2.324 6.473 ( -0.442 2.016 -0.433) 2.109 6.946 ( 0.163 -5.623 -4.876) 7.445 7.050 ( -4.440 -0.489 -4.186) 6.122 7.169 ( 0.479 -0.419 -7.035) 7.064 7.666 ( 2.532 5.276 7.480) 9.497 7.919 ( 2.936 1.762 5.998) 6.907 8.021 ( 3.460 7.489 5.683) 10.018 8.114 ( 3.236 4.117 1.259) 5.386 8.402 ( -0.531 -0.562 -3.032) 3.129 8.431 ( 0.347 -0.802 -9.935) 9.974 8.553 ( 1.068 0.512 3.393) 3.594 8.888 ( 1.730 3.293 -4.361) 5.732 9.061 ( 1.002 -2.587 -0.498) 2.818 9.111 ( -1.193 1.616 -0.905) 2.203 9.295 ( 1.391 -11.740 1.999) 11.990 9.462 ( -7.894 -0.259 -1.503) 8.040======================= Grid point 12 (8/75) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 4.493 9.108 15.927) 18.890 1.732 ( 2.893 9.145 12.416) 15.689 2.075 ( 2.045 -0.339 -1.702) 2.682 2.290 ( -0.718 -1.827 -3.371) 3.901 2.352 ( 3.379 -2.477 -3.136) 5.233 2.545 ( -1.962 1.502 -0.842) 2.611 2.760 ( 2.827 2.018 1.375) 3.736 2.903 ( 2.571 -2.923 0.526) 3.928 3.194 ( -7.088 6.212 5.402) 10.863 3.512 ( 1.572 -2.913 -5.363) 6.302 3.705 ( 0.905 3.685 0.558) 3.836 3.792 ( 3.163 6.958 11.480) 13.792 3.886 ( 1.410 7.177 -1.283) 7.425 4.095 ( 1.970 -1.980 1.239) 3.055 4.474 ( -1.491 -4.966 -0.339) 5.196 4.649 ( 1.109 -7.053 -6.265) 9.499 4.770 ( -0.867 -0.310 -3.481) 3.600 5.055 ( -1.976 -3.929 3.354) 5.531 5.724 ( -0.569 -4.930 0.113) 4.964 5.934 ( -4.583 0.165 0.529) 4.616 5.964 ( -4.249 -1.561 0.529) 4.557 6.038 ( -2.871 -2.793 0.359) 4.022 6.155 ( 1.498 0.838 0.172) 1.725 6.246 ( -0.115 -3.709 -0.123) 3.713 6.413 ( -1.150 -1.146 -0.768) 1.796 6.493 ( -1.786 1.141 2.011) 2.922 6.568 ( 0.221 4.691 6.052) 7.660 6.861 ( -0.046 -1.425 0.721) 1.598 6.974 ( -1.420 -1.665 -5.431) 5.855 7.080 ( -1.677 -0.522 -4.112) 4.471 7.853 ( 2.707 6.076 8.296) 10.633 8.016 ( 2.412 2.129 3.974) 5.112 8.127 ( 1.840 1.162 -2.530) 3.337 8.173 ( 4.298 3.728 -1.585) 5.907 8.299 ( 1.368 -0.124 -5.032) 5.216 8.401 ( -0.055 5.605 -0.513) 5.629 8.580 ( 2.375 -1.350 0.626) 2.803 8.868 ( 0.132 0.991 -2.736) 2.913 9.025 ( 1.488 -2.954 0.218) 3.315 9.069 ( 2.143 -5.077 -1.949) 5.846 9.223 ( -3.022 -2.328 2.914) 4.800 9.428 ( -5.525 0.221 -3.083) 6.331======================= Grid point 13 (9/75) =======================q-point: (-0.56 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 0.734 -2.427 -3.071) 3.982 1.908 ( 1.505 -0.977 1.695) 2.468 2.104 ( 4.315 -3.063 -2.356) 5.792 2.127 ( 3.441 3.589 5.782) 7.626 2.340 ( 0.644 1.257 -1.812) 2.297 2.546 ( -2.023 -0.387 0.726) 2.183 2.797 ( 1.089 0.208 1.116) 1.573 2.891 ( 3.838 -0.783 1.290) 4.124 3.313 ( -5.796 0.821 -3.832) 6.996 3.408 ( -3.542 1.442 1.630) 4.157 3.697 ( 4.081 3.407 -2.128) 5.726 3.932 ( 1.285 7.701 -1.389) 7.930 3.970 ( 4.169 -5.893 -6.964) 10.030 4.187 ( 2.248 -2.225 9.102) 9.636 4.422 ( -1.125 -0.431 -0.539) 1.320 4.452 ( 0.998 -3.253 0.281) 3.414 4.727 ( -0.953 2.277 -5.020) 5.595 5.050 ( -1.778 -2.723 2.389) 4.035 5.677 ( -0.328 -1.746 -0.086) 1.779 5.928 ( -5.231 0.725 -1.806) 5.581 5.953 ( -2.987 -0.956 -0.422) 3.164 6.028 ( -4.711 -2.319 3.384) 6.247 6.166 ( 1.193 0.027 0.805) 1.440 6.227 ( 0.619 -2.681 4.263) 5.074 6.400 ( -1.498 -0.525 0.686) 1.729 6.510 ( -2.786 -0.262 0.312) 2.815 6.651 ( 0.164 -0.421 0.578) 0.734 6.862 ( -0.102 -1.417 -5.153) 5.346 6.932 ( -0.259 1.388 6.609) 6.758 7.061 ( -2.568 0.626 1.316) 2.952 7.979 ( 2.035 -1.761 -7.076) 7.570 8.035 ( 2.411 3.858 0.552) 4.582 8.093 ( 1.684 -0.894 1.931) 2.714 8.175 ( 3.939 2.957 0.106) 4.927 8.291 ( 1.456 1.493 -0.536) 2.153 8.493 ( 1.617 4.452 -3.970) 6.181 8.557 ( 3.013 0.647 2.096) 3.727 8.836 ( -0.347 -3.788 0.411) 3.826 8.960 ( 1.924 -1.126 -1.104) 2.487 9.036 ( 1.446 -1.043 1.310) 2.212 9.233 ( -3.712 -0.316 -1.185) 3.910 9.411 ( -4.534 1.577 -0.146) 4.803======================= Grid point 14 (10/75) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 4.588 -12.312 -12.283) 17.986 1.718 ( 2.827 -11.633 -10.771) 16.104 2.083 ( 2.601 0.476 0.427) 2.679 2.297 ( 0.746 0.089 -1.153) 1.376 2.368 ( 1.974 5.030 7.128) 8.945 2.563 ( -1.298 0.175 1.402) 1.919 2.784 ( 0.651 -3.134 -0.007) 3.201 2.901 ( 3.665 -1.183 1.190) 4.031 3.185 ( -7.071 -4.368 -6.416) 10.500 3.496 ( 3.046 2.236 -1.733) 4.157 3.647 ( 3.407 -5.345 -13.433) 14.854 3.805 ( 0.335 1.602 5.147) 5.401 3.999 ( -0.489 -0.757 -1.149) 1.460 4.068 ( 2.014 -5.124 0.548) 5.533 4.429 ( -1.484 2.400 0.308) 2.838 4.634 ( 1.303 5.949 4.136) 7.362 4.708 ( -0.155 6.185 -2.734) 6.764 5.036 ( -1.591 -2.314 0.273) 2.821 5.672 ( -0.617 1.479 -0.745) 1.767 5.907 ( -4.797 -0.623 -1.637) 5.106 5.936 ( -4.016 1.171 -1.221) 4.358 6.060 ( -2.447 -0.707 3.783) 4.560 6.176 ( 1.058 -0.426 1.397) 1.804 6.278 ( -1.984 -1.669 5.562) 6.137 6.424 ( -0.509 0.722 2.718) 2.858 6.501 ( -3.600 -1.528 0.604) 3.957 6.571 ( 1.629 -6.125 -3.352) 7.170 6.840 ( 0.736 2.110 1.849) 2.900 7.033 ( -1.934 0.899 4.993) 5.430 7.129 ( -0.721 2.179 5.016) 5.516 7.820 ( 1.124 -5.096 -7.086) 8.800 7.980 ( 1.716 -2.253 -5.137) 5.866 8.119 ( 4.244 0.619 -2.533) 4.981 8.230 ( 4.093 -1.060 -0.125) 4.230 8.339 ( 0.497 4.001 4.957) 6.390 8.431 ( 1.288 -0.623 -3.422) 3.710 8.601 ( 1.650 -2.268 1.396) 3.132 8.823 ( 0.708 5.532 -2.675) 6.186 8.994 ( 0.737 4.776 0.796) 4.897 9.047 ( 1.995 -0.954 2.432) 3.287 9.181 ( -3.101 -1.838 -3.146) 4.784 9.457 ( -4.989 1.780 2.308) 5.778======================= Grid point 15 (11/75) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 8.489 -16.186 -13.160) 22.522 1.356 ( 5.116 -16.234 -14.199) 22.166 2.048 ( 5.060 -6.566 -7.391) 11.106 2.164 ( 2.121 -9.253 -4.729) 10.605 2.513 ( 1.010 2.221 4.626) 5.230 2.576 ( -0.280 -0.709 0.965) 1.229 2.723 ( -0.682 -2.545 -1.576) 3.070 2.864 ( 3.020 -1.805 -3.263) 4.799 3.064 ( -5.449 -1.714 -2.829) 6.375 3.315 ( 4.543 -5.330 -5.869) 9.137 3.628 ( 0.989 6.017 -3.060) 6.823 3.834 ( 0.712 -5.388 4.119) 6.819 4.017 ( -3.043 1.512 2.246) 4.073 4.115 ( 0.496 3.730 6.667) 7.656 4.469 ( -0.450 1.759 -0.481) 1.878 4.643 ( -0.698 5.321 -6.983) 8.807 4.804 ( 1.735 3.156 0.846) 3.699 5.002 ( -1.299 -0.748 -1.590) 2.185 5.693 ( -1.367 4.168 -1.785) 4.736 5.878 ( -5.018 -0.049 -1.883) 5.360 5.948 ( -4.690 1.388 0.000) 4.891 6.096 ( 1.968 0.689 1.372) 2.496 6.191 ( 1.229 -2.207 0.922) 2.689 6.277 ( -2.505 -1.457 -0.773) 2.999 6.425 ( -1.486 -3.628 -2.292) 4.541 6.464 ( -3.571 -2.102 3.149) 5.204 6.594 ( 2.707 -1.412 13.074) 13.426 6.944 ( 1.007 4.638 5.858) 7.539 7.101 ( -3.058 0.644 3.913) 5.008 7.222 ( 0.352 2.909 2.971) 4.173 7.658 ( -0.680 -6.827 -4.651) 8.289 7.880 ( 5.188 -2.906 -4.261) 7.315 8.048 ( 3.081 -4.301 -3.128) 6.146 8.154 ( 3.508 -5.441 -2.395) 6.903 8.392 ( 0.169 1.409 -2.367) 2.760 8.492 ( 0.644 4.289 5.079) 6.679 8.562 ( 0.787 -3.252 0.694) 3.417 8.875 ( 0.008 10.485 -7.410) 12.839 9.038 ( 0.004 0.049 0.658) 0.660 9.091 ( 0.684 3.317 -2.546) 4.237 9.148 ( 1.245 1.793 2.835) 3.578 9.498 ( -6.414 -0.644 2.009) 6.752======================= Grid point 16 (12/75) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( 13.738 -18.392 -10.733) 25.342 0.915 ( 9.530 -19.655 -13.789) 25.831 1.527 ( 15.426 -32.768 -18.086) 40.482 2.108 ( 0.367 -0.559 -0.036) 0.670 2.560 ( 0.424 -0.279 1.211) 1.313 2.576 ( 1.123 -1.096 1.130) 1.933 2.706 ( -1.741 0.596 -0.703) 1.970 2.823 ( 0.358 2.634 -2.515) 3.659 3.053 ( -2.328 1.282 -0.085) 2.659 3.222 ( 1.886 -4.475 -0.291) 4.865 3.642 ( -0.860 3.388 -3.168) 4.718 3.852 ( 0.612 0.704 2.889) 3.036 4.072 ( -1.794 2.864 2.138) 3.999 4.275 ( -0.391 -0.670 10.556) 10.584 4.441 ( 1.156 -1.478 -3.577) 4.039 4.607 ( -3.289 5.378 -8.740) 10.776 4.833 ( 2.119 2.048 0.079) 2.948 4.970 ( -0.356 -1.105 -1.864) 2.195 5.739 ( -1.932 6.036 -1.515) 6.516 5.852 ( -5.750 -0.478 -1.500) 5.962 5.965 ( -2.444 0.201 0.901) 2.613 6.082 ( 4.497 -5.886 -4.109) 8.471 6.135 ( 1.879 3.014 0.297) 3.564 6.312 ( -2.160 2.726 1.930) 3.978 6.377 ( -1.899 -2.264 1.093) 3.151 6.483 ( -3.802 -1.661 2.750) 4.977 6.785 ( 3.025 -2.997 18.340) 18.827 7.099 ( 0.481 5.449 5.778) 7.956 7.163 ( -3.362 0.781 3.733) 5.085 7.285 ( -0.227 4.857 -0.890) 4.943 7.516 ( -3.176 -6.310 -2.773) 7.589 7.797 ( 10.697 -2.855 -1.708) 11.202 7.927 ( 2.039 -11.440 0.974) 11.661 8.056 ( 1.768 -3.138 -2.881) 4.613 8.358 ( 1.041 0.300 -3.612) 3.771 8.544 ( 0.257 -0.466 1.376) 1.475 8.609 ( -0.813 3.140 2.885) 4.341 8.879 ( -1.806 9.818 -12.498) 15.995 9.031 ( 0.803 -1.623 0.063) 1.812 9.092 ( -0.856 1.723 -0.431) 1.971 9.258 ( 5.791 8.275 0.664) 10.121 9.483 ( -8.927 -4.511 0.591) 10.020======================= Grid point 17 (13/75) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 18.669 -18.669 0.000) 26.402 0.537 ( 19.338 -19.338 0.000) 27.348 0.895 ( 32.285 -32.285 0.000) 45.658 2.106 ( -0.031 0.031 -0.000) 0.043 2.560 ( 0.424 -0.424 0.000) 0.599 2.568 ( 1.251 -1.251 0.000) 1.769 2.693 ( 0.795 -0.795 0.000) 1.124 2.862 ( -4.494 4.494 -0.000) 6.355 3.070 ( -0.748 0.748 -0.000) 1.058 3.166 ( 3.465 -3.465 0.000) 4.900 3.655 ( -1.909 1.909 -0.000) 2.699 3.908 ( -3.452 3.452 -0.000) 4.882 4.138 ( -3.051 3.051 -0.000) 4.315 4.301 ( 5.946 -5.946 0.000) 8.409 4.362 ( 3.512 -3.512 0.000) 4.967 4.626 ( -7.252 7.252 -0.000) 10.256 4.861 ( -0.694 0.694 -0.000) 0.982 4.929 ( 2.142 -2.142 0.000) 3.029 5.814 ( -4.877 4.877 -0.000) 6.897 5.831 ( -1.031 1.031 -0.000) 1.458 5.968 ( 4.205 -4.205 0.000) 5.947 5.984 ( 0.109 -0.109 0.000) 0.154 6.175 ( -1.160 1.160 -0.000) 1.641 6.353 ( -1.742 1.742 -0.000) 2.464 6.388 ( -0.403 0.403 -0.000) 0.569 6.492 ( -0.948 0.948 -0.000) 1.340 6.954 ( -0.608 0.608 -0.000) 0.860 7.200 ( -1.533 1.533 -0.000) 2.169 7.208 ( -1.786 1.786 -0.000) 2.526 7.359 ( -5.217 5.217 -0.000) 7.378 7.439 ( -0.209 0.209 -0.000) 0.296 7.761 ( 7.604 -7.604 0.000) 10.754 7.766 ( 6.972 -6.972 0.000) 9.861 8.002 ( 1.814 -1.814 0.000) 2.566 8.329 ( 0.410 -0.410 0.000) 0.580 8.555 ( -0.221 0.221 -0.000) 0.313 8.661 ( -1.522 1.522 -0.000) 2.152 8.839 ( -3.885 3.885 -0.000) 5.495 9.005 ( 2.180 -2.180 0.000) 3.082 9.111 ( -0.993 0.993 -0.000) 1.404 9.370 ( -0.287 0.287 -0.000) 0.406 9.401 ( -1.195 1.195 -0.000) 1.690======================= Grid point 20 (14/75) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 7.194 7.194 16.395) 19.295 1.678 ( 7.316 7.316 14.265) 17.622 2.095 ( 1.558 1.558 -1.505) 2.668 2.279 ( 0.611 0.611 0.637) 1.073 2.445 ( -0.149 -0.149 -4.746) 4.751 2.480 ( 0.545 0.545 -1.842) 1.997 2.773 ( 3.215 3.215 1.416) 4.762 3.012 ( -2.003 -2.003 0.517) 2.880 3.026 ( -0.417 -0.417 6.229) 6.257 3.556 ( -2.378 -2.378 -9.790) 10.351 3.678 ( 8.106 8.106 14.087) 18.162 3.742 ( 2.906 2.906 -1.150) 4.267 3.863 ( 2.658 2.658 1.043) 3.901 4.124 ( 1.232 1.232 2.109) 2.735 4.504 ( -4.149 -4.149 -0.612) 5.899 4.716 ( -1.576 -1.576 -4.312) 4.854 4.752 ( 0.081 0.081 -6.120) 6.121 5.074 ( -4.744 -4.744 4.378) 8.010 5.769 ( -3.972 -3.972 0.112) 5.618 5.880 ( -2.131 -2.131 -0.466) 3.049 5.945 ( -4.565 -4.565 2.162) 6.808 6.037 ( -3.512 -3.512 -0.008) 4.967 6.160 ( 0.997 0.997 0.657) 1.555 6.280 ( -2.710 -2.710 2.006) 4.326 6.409 ( -1.486 -1.486 -0.758) 2.234 6.463 ( -1.510 -1.510 0.724) 2.255 6.536 ( 3.973 3.973 8.393) 10.100 6.878 ( -1.124 -1.124 -3.301) 3.664 6.969 ( -1.750 -1.750 -0.840) 2.614 7.071 ( -1.105 -1.105 -6.477) 6.663 7.829 ( 4.979 4.979 8.482) 11.023 8.026 ( 2.143 2.143 4.874) 5.739 8.120 ( 4.663 4.663 -3.689) 7.556 8.176 ( 3.887 3.887 -0.373) 5.510 8.331 ( 3.398 3.398 -4.316) 6.459 8.348 ( 0.027 0.027 -3.618) 3.618 8.611 ( 0.816 0.816 2.451) 2.709 8.855 ( 1.605 1.605 -4.126) 4.709 9.071 ( 0.347 0.347 -0.190) 0.526 9.094 ( 0.595 0.595 0.198) 0.864 9.302 ( -7.332 -7.332 -2.115) 10.582 9.319 ( -2.805 -2.805 -0.722) 4.032======================= Grid point 21 (15/75) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 2.350 1.881 4.792) 5.659 1.911 ( 1.486 2.727 6.152) 6.892 2.132 ( 5.747 3.830 4.835) 8.431 2.233 ( 2.485 -2.571 -4.463) 5.718 2.353 ( 2.601 -1.511 -3.606) 4.696 2.493 ( -3.498 2.429 -1.006) 4.376 2.819 ( 2.065 0.252 1.388) 2.501 2.973 ( 4.152 -2.830 1.767) 5.327 3.166 ( -4.952 6.370 4.118) 9.058 3.384 ( -4.093 -4.009 -6.642) 8.772 3.722 ( 5.790 2.886 -4.359) 7.801 3.826 ( 2.753 9.665 -1.952) 10.237 4.104 ( 3.724 -3.473 -1.723) 5.376 4.181 ( 5.047 7.341 17.371) 19.522 4.419 ( -3.091 -2.802 -3.243) 5.284 4.571 ( 0.722 -8.297 -6.275) 10.428 4.675 ( -2.826 1.567 -6.395) 7.165 5.060 ( -4.106 -4.480 3.196) 6.866 5.708 ( -1.611 -3.885 -0.472) 4.233 5.849 ( -4.456 -0.178 -1.848) 4.827 5.924 ( -5.387 -3.585 2.923) 7.100 6.002 ( -5.316 -4.384 2.687) 7.396 6.177 ( 0.100 -0.298 1.204) 1.244 6.278 ( -0.140 -3.443 3.902) 5.206 6.390 ( -2.015 -1.824 1.067) 2.919 6.449 ( -5.608 -0.707 -0.269) 5.659 6.666 ( 2.782 1.447 4.444) 5.439 6.860 ( -0.083 1.213 -1.146) 1.671 6.947 ( 1.068 -2.774 1.773) 3.462 7.007 ( -3.735 0.731 0.376) 3.825 7.992 ( 2.810 3.421 -1.718) 4.749 8.048 ( 4.841 2.606 -1.678) 5.749 8.105 ( 1.428 1.686 0.673) 2.310 8.184 ( 1.818 2.408 -3.187) 4.389 8.317 ( 5.317 1.676 -0.985) 5.661 8.423 ( 4.226 8.830 -0.654) 9.811 8.625 ( 3.151 -1.416 0.224) 3.462 8.830 ( -1.007 1.582 -1.809) 2.606 9.059 ( 2.462 -4.651 -0.176) 5.265 9.092 ( 3.161 -2.900 0.334) 4.303 9.174 ( -6.110 -2.114 -0.894) 6.527 9.305 ( -7.262 1.062 -0.974) 7.404======================= Grid point 22 (16/75) =======================q-point: (-0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 2.747 -6.225 -6.502) 9.411 1.888 ( 1.639 -6.942 -6.058) 9.358 2.150 ( 6.350 -1.950 -0.802) 6.691 2.301 ( 3.953 2.688 5.019) 6.931 2.329 ( 1.298 4.158 0.727) 4.417 2.521 ( -3.389 2.011 1.058) 4.080 2.820 ( 0.068 -2.182 0.774) 2.316 2.975 ( 2.623 -0.782 1.043) 2.929 3.165 ( -2.173 -4.284 -4.383) 6.503 3.407 ( -3.390 6.796 4.664) 8.912 3.738 ( 5.402 5.177 -2.166) 7.790 3.877 ( 6.162 -2.537 -11.134) 12.976 3.959 ( 2.032 1.352 -2.221) 3.300 4.245 ( 1.511 -12.069 -1.926) 12.315 4.365 ( -3.927 0.585 -2.981) 4.964 4.572 ( 0.887 5.588 5.772) 8.083 4.634 ( -0.689 3.757 -1.212) 4.007 5.038 ( -3.683 -3.125 0.804) 4.897 5.663 ( -1.200 -1.700 -0.641) 2.177 5.822 ( -6.119 -0.248 -1.799) 6.383 5.907 ( -3.971 -3.360 1.174) 5.333 6.011 ( -5.941 -1.345 4.856) 7.790 6.185 ( -0.594 -0.774 0.916) 1.338 6.283 ( -2.436 -3.056 2.366) 4.568 6.405 ( -1.304 -0.045 3.324) 3.571 6.446 ( -5.110 -0.308 1.847) 5.442 6.685 ( 3.408 -4.582 0.754) 5.760 6.835 ( 1.057 0.682 0.445) 1.334 7.002 ( -0.970 0.660 4.977) 5.114 7.079 ( -1.576 2.429 5.705) 6.398 7.883 ( 1.551 -1.294 -8.139) 8.386 8.017 ( 0.147 -1.851 -6.044) 6.323 8.180 ( 6.286 2.467 0.297) 6.760 8.237 ( 3.132 5.724 3.223) 7.278 8.339 ( 4.758 1.837 0.506) 5.125 8.462 ( 4.623 3.457 -6.683) 8.831 8.621 ( 3.270 1.638 0.257) 3.667 8.841 ( -0.634 -2.862 1.342) 3.224 8.941 ( -0.475 -0.431 -4.526) 4.572 9.102 ( 2.907 -1.609 3.461) 4.797 9.148 ( -4.230 -0.968 -1.541) 4.604 9.341 ( -6.971 2.763 1.846) 7.722======================= Grid point 23 (17/75) =======================q-point: (-0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( 8.060 -12.308 -8.461) 16.971 1.632 ( 6.071 -12.622 -10.107) 17.272 2.129 ( 4.697 -0.599 -0.871) 4.815 2.287 ( 2.118 -1.217 -2.229) 3.307 2.477 ( 0.600 4.562 4.719) 6.591 2.565 ( -1.550 1.000 1.784) 2.566 2.768 ( -0.624 -4.555 -2.581) 5.273 2.962 ( -2.173 -0.379 -1.340) 2.581 3.043 ( 2.912 -8.493 -1.094) 9.045 3.498 ( 8.306 -5.926 -10.164) 14.402 3.571 ( 1.743 3.236 -2.261) 4.315 3.873 ( -0.753 2.792 5.288) 6.027 3.981 ( -0.716 0.568 -0.484) 1.034 4.090 ( 1.066 -4.469 -0.344) 4.607 4.398 ( -2.570 6.944 -1.210) 7.502 4.568 ( -3.166 2.404 -5.384) 6.693 4.781 ( 2.924 4.567 4.237) 6.882 4.995 ( -3.162 -2.325 -1.346) 4.149 5.638 ( -1.914 0.322 -1.703) 2.582 5.793 ( -6.774 -0.045 -1.955) 7.051 5.887 ( -3.558 -0.990 0.830) 3.785 6.078 ( -3.802 1.063 4.208) 5.770 6.180 ( -2.356 -0.169 -0.428) 2.401 6.261 ( -3.878 -2.148 0.094) 4.434 6.436 ( -0.895 -0.227 1.569) 1.821 6.478 ( -1.336 -2.991 0.715) 3.353 6.659 ( 3.663 -3.683 10.163) 11.414 6.909 ( 0.846 2.922 5.499) 6.284 7.066 ( -1.256 -0.274 4.299) 4.488 7.184 ( -0.075 3.165 2.792) 4.221 7.742 ( 0.503 -5.542 -6.160) 8.301 7.941 ( -0.088 -0.169 -2.014) 2.023 8.153 ( 8.523 -0.344 -4.683) 9.731 8.287 ( 5.475 -3.007 -2.626) 6.776 8.375 ( 1.346 2.386 -0.430) 2.773 8.452 ( 2.437 3.921 2.217) 5.121 8.630 ( 1.846 -1.614 -0.615) 2.528 8.766 ( 0.329 2.080 -6.977) 7.288 8.967 ( -2.043 6.220 -1.876) 6.810 9.094 ( -3.025 -2.134 -0.403) 3.724 9.161 ( 3.632 0.772 3.994) 5.454 9.400 ( -7.383 0.731 2.475) 7.821======================= Grid point 24 (18/75) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 12.051 -16.081 -7.896) 21.591 1.306 ( 11.986 -15.755 -7.359) 21.119 2.078 ( 11.886 -9.059 -4.181) 15.518 2.160 ( 3.518 -9.816 -1.947) 10.607 2.559 ( 0.290 1.881 1.048) 2.173 2.592 ( 0.227 0.520 1.007) 1.156 2.656 ( -3.036 -2.100 -2.955) 4.728 2.907 ( 7.330 -6.753 -1.010) 10.018 2.965 ( -6.067 2.126 -0.624) 6.459 3.313 ( 4.121 -3.911 -3.196) 6.519 3.613 ( 1.796 2.475 -1.919) 3.610 3.897 ( 2.037 -4.328 2.240) 5.282 4.008 ( -1.776 2.463 1.340) 3.319 4.171 ( -5.813 7.461 5.923) 11.160 4.461 ( -0.137 2.279 -0.480) 2.333 4.523 ( -1.892 2.727 -6.542) 7.336 4.840 ( 2.100 1.106 -0.070) 2.375 4.960 ( -1.947 -0.163 -0.911) 2.156 5.634 ( -3.492 2.956 -1.686) 4.876 5.776 ( -5.249 0.867 -1.291) 5.475 5.903 ( -3.638 1.496 0.689) 3.993 6.125 ( -0.101 0.486 1.058) 1.169 6.196 ( -3.541 2.410 -0.040) 4.283 6.217 ( -0.690 -2.490 -1.537) 3.006 6.400 ( 0.119 -3.881 0.133) 3.885 6.466 ( -0.768 -0.702 1.805) 2.083 6.822 ( 1.134 -0.235 13.514) 13.563 7.042 ( 0.287 3.906 6.587) 7.663 7.117 ( -1.909 0.097 3.438) 3.933 7.227 ( -0.407 3.136 -2.443) 3.997 7.583 ( 0.124 -6.372 -4.492) 7.797 7.948 ( 3.481 -1.311 3.527) 5.126 8.075 ( 7.183 -1.759 -3.811) 8.319 8.160 ( 3.046 -8.452 -2.957) 9.458 8.381 ( 2.841 0.163 -1.555) 3.243 8.549 ( -0.085 3.600 2.617) 4.451 8.580 ( 0.847 -3.308 0.352) 3.433 8.726 ( -1.253 8.676 -10.769) 13.886 9.021 ( -1.152 4.144 -0.651) 4.350 9.066 ( -2.527 -1.314 -0.124) 2.851 9.247 ( 5.448 4.921 2.543) 7.769 9.414 ( -8.466 -3.059 1.679) 9.157======================= Grid point 25 (19/75) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( 16.621 -16.621 0.000) 23.506 1.032 ( 17.029 -17.029 0.000) 24.083 1.715 ( 27.346 -27.346 0.000) 38.674 2.115 ( 0.796 -0.796 0.000) 1.126 2.573 ( 0.279 -0.279 0.000) 0.394 2.604 ( 1.030 -1.030 0.000) 1.456 2.655 ( -3.816 3.816 -0.000) 5.397 2.831 ( 3.304 -3.304 0.000) 4.672 3.009 ( -3.972 3.972 -0.000) 5.617 3.253 ( 3.044 -3.044 0.000) 4.305 3.612 ( -0.508 0.508 -0.000) 0.718 3.877 ( 0.996 -0.996 0.000) 1.409 4.058 ( -2.767 2.767 -0.000) 3.913 4.344 ( -6.556 6.556 -0.000) 9.272 4.446 ( 2.350 -2.350 0.000) 3.323 4.473 ( -0.714 0.714 -0.000) 1.010 4.847 ( -0.175 0.175 -0.000) 0.247 4.955 ( -0.126 0.126 -0.000) 0.178 5.677 ( -4.786 4.786 -0.000) 6.768 5.786 ( -2.311 2.311 -0.000) 3.268 5.938 ( -2.652 2.652 -0.000) 3.750 6.124 ( 5.910 -5.910 0.000) 8.358 6.143 ( -0.944 0.944 -0.000) 1.335 6.264 ( -4.793 4.793 -0.000) 6.778 6.380 ( 0.101 -0.101 0.000) 0.142 6.475 ( -0.201 0.201 -0.000) 0.284 6.936 ( -0.564 0.564 -0.000) 0.798 7.152 ( -1.632 1.632 -0.000) 2.309 7.154 ( -1.944 1.944 -0.000) 2.750 7.239 ( -3.575 3.575 -0.000) 5.056 7.479 ( 2.852 -2.852 0.000) 4.033 7.955 ( 6.689 -6.689 0.000) 9.460 7.990 ( 8.934 -8.934 0.000) 12.635 8.035 ( -0.034 0.034 -0.000) 0.048 8.354 ( 1.593 -1.593 0.000) 2.254 8.558 ( 0.678 -0.678 0.000) 0.959 8.610 ( -2.090 2.090 -0.000) 2.956 8.724 ( -4.488 4.488 -0.000) 6.348 9.044 ( 0.517 -0.517 0.000) 0.731 9.070 ( -2.114 2.114 -0.000) 2.990 9.358 ( -0.604 0.604 -0.000) 0.855 9.359 ( -1.695 1.695 -0.000) 2.398======================= Grid point 30 (20/75) =======================q-point: (-0.67 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -0.929 -0.929 -3.911) 4.126 1.934 ( -1.433 -1.433 -2.451) 3.181 2.253 ( 3.557 3.557 -1.080) 5.145 2.278 ( 1.805 1.805 1.515) 2.969 2.346 ( 3.078 3.078 2.151) 4.855 2.446 ( -0.625 -0.625 -0.574) 1.053 2.841 ( -1.216 -1.216 1.089) 2.035 2.985 ( -1.769 -1.769 -2.768) 3.731 3.235 ( 3.504 3.504 5.474) 7.384 3.286 ( -1.729 -1.729 0.620) 2.523 3.742 ( 5.294 5.294 -3.121) 8.111 3.870 ( 6.815 6.815 -2.825) 10.043 4.057 ( 0.014 0.014 -6.855) 6.855 4.256 ( -1.720 -1.720 -8.485) 8.827 4.455 ( -1.189 -1.189 2.689) 3.172 4.484 ( -4.751 -4.751 -4.523) 8.099 4.602 ( 2.666 2.666 5.819) 6.934 5.030 ( -3.980 -3.980 0.679) 5.669 5.670 ( -2.392 -2.392 -0.605) 3.437 5.779 ( -2.699 -2.699 -1.818) 4.227 5.908 ( -4.387 -4.387 4.107) 7.440 5.970 ( -5.111 -5.111 3.318) 7.954 6.187 ( -0.906 -0.906 1.065) 1.666 6.287 ( -3.590 -3.590 -0.992) 5.173 6.396 ( -1.238 -1.238 2.940) 3.422 6.407 ( -1.682 -1.682 4.814) 5.369 6.750 ( 0.977 0.977 4.091) 4.318 6.838 ( -0.428 -0.428 -1.985) 2.075 6.992 ( 0.724 0.724 5.415) 5.511 7.044 ( -0.097 -0.097 6.077) 6.078 7.900 ( 1.390 1.390 -8.538) 8.761 8.034 ( -1.286 -1.286 -8.025) 8.229 8.201 ( 4.884 4.884 6.654) 9.591 8.216 ( 4.041 4.041 0.183) 5.717 8.370 ( 4.520 4.520 -1.318) 6.527 8.460 ( 6.926 6.926 -6.415) 11.709 8.657 ( 1.080 1.080 -0.276) 1.552 8.810 ( 0.766 0.766 -0.036) 1.085 9.003 ( -6.442 -6.442 -5.091) 10.437 9.095 ( -1.166 -1.166 -0.636) 1.768 9.168 ( 0.791 0.791 3.678) 3.844 9.238 ( -2.155 -2.155 2.147) 3.728======================= Grid point 32 (21/75) =======================q-point: (-0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 2.906 -4.925 -5.296) 7.794 1.825 ( 1.716 -6.084 -5.981) 8.703 2.218 ( 5.599 -1.666 -2.032) 6.185 2.291 ( 0.401 2.586 -3.662) 4.501 2.432 ( 1.589 2.067 3.904) 4.695 2.494 ( -3.265 3.943 2.045) 5.512 2.818 ( -0.577 -3.383 -0.340) 3.448 2.905 ( -4.731 -1.636 -3.854) 6.318 3.248 ( 8.806 -6.275 5.039) 11.929 3.434 ( -3.186 8.584 5.228) 10.544 3.756 ( 7.399 -1.779 -8.546) 11.443 3.834 ( 3.710 2.076 -5.059) 6.609 3.972 ( 5.392 -0.214 -2.354) 5.887 4.192 ( -3.980 8.386 -5.731) 10.909 4.280 ( 0.149 -11.003 -2.095) 11.202 4.462 ( -10.021 1.036 -2.006) 10.272 4.767 ( 3.675 4.058 6.238) 8.300 4.979 ( -3.812 -2.706 -1.308) 4.854 5.631 ( -1.408 -2.059 -1.096) 2.725 5.719 ( -5.119 -1.526 -2.384) 5.849 5.887 ( -2.202 -4.836 1.962) 5.665 5.979 ( -7.530 0.087 2.974) 8.096 6.179 ( -0.661 -1.972 0.066) 2.081 6.226 ( -3.940 -1.247 -0.730) 4.197 6.435 ( 0.191 -0.212 3.502) 3.514 6.476 ( -1.526 -0.591 5.012) 5.273 6.780 ( 4.129 -4.586 5.805) 8.473 6.870 ( -1.671 2.704 4.812) 5.767 7.077 ( 1.887 -0.489 4.940) 5.311 7.133 ( -0.899 3.029 3.652) 4.829 7.812 ( 1.682 -2.135 -5.272) 5.932 7.914 ( -2.606 0.007 -5.650) 6.222 8.248 ( 6.812 2.938 -3.131) 8.053 8.329 ( 2.543 3.446 1.661) 4.594 8.398 ( 5.338 1.533 -1.763) 5.827 8.446 ( 4.567 5.617 -4.241) 8.390 8.651 ( 3.053 0.017 -1.514) 3.408 8.826 ( -2.728 -1.531 -6.131) 6.883 8.862 ( -0.823 -1.554 1.683) 2.434 9.051 ( -6.032 -1.503 -2.153) 6.578 9.213 ( 3.549 -0.737 4.209) 5.555 9.296 ( -4.375 2.071 3.370) 5.899======================= Grid point 33 (22/75) =======================q-point: (-0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 8.145 -10.588 -5.517) 14.453 1.630 ( 8.226 -10.403 -4.092) 13.879 2.178 ( 3.997 -1.191 -1.149) 4.325 2.284 ( 0.264 1.574 -1.238) 2.020 2.513 ( -0.611 4.024 1.368) 4.294 2.557 ( -3.532 2.141 1.318) 4.335 2.723 ( 1.406 -6.805 -3.003) 7.570 2.865 ( -4.341 0.649 -1.201) 4.551 3.199 ( 11.837 -11.798 3.917) 17.166 3.477 ( 9.601 -8.207 -9.637) 15.888 3.583 ( -0.531 4.526 1.046) 4.675 3.918 ( -3.248 6.081 3.347) 7.664 3.969 ( 0.634 1.843 -0.089) 1.951 4.098 ( 2.290 -8.391 -0.910) 8.745 4.317 ( -4.203 13.360 -4.134) 14.603 4.455 ( -7.467 0.385 -0.394) 7.488 4.855 ( 2.199 1.076 1.409) 2.824 4.934 ( -2.613 -0.833 -0.891) 2.884 5.584 ( -1.779 -1.135 -1.773) 2.756 5.691 ( -5.034 1.130 -1.285) 5.317 5.858 ( -2.045 -1.416 0.616) 2.563 6.031 ( -7.752 3.612 0.841) 8.593 6.150 ( 0.271 -1.363 -0.096) 1.393 6.226 ( -2.418 -0.111 0.655) 2.507 6.466 ( 1.726 -1.351 1.247) 2.521 6.485 ( 0.449 -2.411 0.923) 2.620 6.857 ( 2.566 -1.920 10.817) 11.282 6.994 ( -1.107 2.692 7.346) 7.901 7.113 ( 0.854 -0.403 1.661) 1.910 7.184 ( -0.604 2.428 -2.358) 3.438 7.683 ( 2.446 -5.776 -4.211) 7.555 7.915 ( -3.770 3.125 1.218) 5.046 8.202 ( 6.783 -1.469 -4.690) 8.377 8.299 ( 4.653 -1.585 -3.395) 5.973 8.421 ( 3.937 0.953 0.634) 4.100 8.505 ( 1.089 3.597 1.387) 4.006 8.621 ( 1.511 2.071 -4.481) 5.162 8.687 ( 0.277 -6.850 -2.257) 7.217 8.921 ( -1.930 6.333 -1.021) 6.698 9.019 ( -6.343 -0.242 -0.748) 6.392 9.267 ( 3.795 1.688 2.602) 4.901 9.347 ( -4.817 -0.640 2.284) 5.369======================= Grid point 34 (23/75) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 13.184 -13.184 0.000) 18.646 1.442 ( 12.881 -12.881 0.000) 18.217 2.152 ( 1.899 -1.899 0.000) 2.686 2.247 ( 8.112 -8.112 0.000) 11.473 2.559 ( -1.273 1.273 -0.000) 1.800 2.597 ( -2.084 2.084 -0.000) 2.948 2.611 ( 3.110 -3.110 0.000) 4.398 2.887 ( -3.914 3.914 -0.000) 5.535 3.036 ( 12.563 -12.563 0.000) 17.767 3.343 ( 4.048 -4.048 0.000) 5.724 3.615 ( -0.151 0.151 -0.000) 0.214 3.956 ( 4.440 -4.440 0.000) 6.279 3.996 ( -1.522 1.522 -0.000) 2.153 4.105 ( -8.735 8.735 -0.000) 12.353 4.417 ( -5.405 5.405 -0.000) 7.644 4.465 ( -1.445 1.445 -0.000) 2.044 4.855 ( 0.731 -0.731 0.000) 1.034 4.935 ( -0.981 0.981 -0.000) 1.387 5.577 ( -2.251 2.251 -0.000) 3.184 5.711 ( -3.116 3.116 -0.000) 4.407 5.867 ( -1.976 1.976 -0.000) 2.794 6.100 ( -5.483 5.483 -0.000) 7.754 6.142 ( -0.437 0.437 -0.000) 0.618 6.224 ( 0.805 -0.805 0.000) 1.138 6.425 ( 3.247 -3.247 0.000) 4.592 6.481 ( 0.648 -0.648 0.000) 0.916 6.934 ( 0.672 -0.672 0.000) 0.950 7.106 ( -1.727 1.727 -0.000) 2.442 7.122 ( -0.505 0.505 -0.000) 0.714 7.165 ( -1.949 1.949 -0.000) 2.757 7.579 ( 4.342 -4.342 0.000) 6.140 7.985 ( -3.536 3.536 -0.000) 5.001 8.116 ( 5.005 -5.005 0.000) 7.079 8.218 ( 7.153 -7.153 0.000) 10.116 8.413 ( 2.395 -2.395 0.000) 3.387 8.555 ( -1.881 1.881 -0.000) 2.660 8.605 ( 3.019 -3.019 0.000) 4.269 8.614 ( -3.052 3.052 -0.000) 4.317 8.989 ( -3.925 3.925 -0.000) 5.550 9.024 ( -2.133 2.133 -0.000) 3.016 9.323 ( -0.809 0.809 -0.000) 1.145 9.341 ( -0.593 0.593 -0.000) 0.838======================= Grid point 41 (24/75) =======================q-point: (-0.56 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -0.316 -0.316 -2.954) 2.988 1.767 ( -1.170 -1.170 -3.619) 3.979 2.236 ( 1.039 1.039 -2.252) 2.689 2.243 ( 0.860 0.860 -2.901) 3.146 2.477 ( 0.542 0.542 1.684) 1.850 2.492 ( -0.080 -0.080 0.961) 0.968 2.805 ( -1.196 -1.196 -0.508) 1.766 2.816 ( -1.984 -1.984 -1.792) 3.329 3.445 ( 1.443 1.443 4.622) 5.052 3.447 ( 1.030 1.030 5.543) 5.732 3.749 ( 1.368 1.368 -6.920) 7.185 3.759 ( 0.886 0.886 -5.531) 5.671 4.054 ( 3.262 3.262 -3.194) 5.610 4.058 ( 3.892 3.892 -2.285) 5.960 4.288 ( -4.229 -4.229 0.366) 5.992 4.301 ( -4.597 -4.597 -0.349) 6.511 4.865 ( 1.926 1.926 2.702) 3.836 4.919 ( -1.944 -1.944 -1.271) 3.029 5.604 ( -1.081 -1.081 -0.812) 1.731 5.626 ( -2.567 -2.567 -2.359) 4.330 5.893 ( -1.749 -1.749 1.021) 2.676 5.908 ( -2.702 -2.702 0.094) 3.823 6.184 ( -0.705 -0.705 0.680) 1.207 6.185 ( -0.934 -0.934 0.343) 1.364 6.487 ( 0.447 0.447 2.411) 2.492 6.504 ( -0.810 -0.810 1.535) 1.915 6.928 ( 0.557 0.557 8.228) 8.266 6.936 ( -0.039 -0.039 8.555) 8.555 7.141 ( 0.812 0.812 -1.069) 1.569 7.145 ( 0.580 0.580 -0.178) 0.839 7.794 ( -0.134 -0.134 -1.307) 1.320 7.810 ( -1.297 -1.297 -2.966) 3.488 8.277 ( 3.570 3.570 -3.212) 5.983 8.311 ( 1.243 1.243 -5.287) 5.571 8.463 ( 2.701 2.701 0.536) 3.857 8.465 ( 2.889 2.889 0.440) 4.109 8.675 ( 1.264 1.264 -0.612) 1.889 8.717 ( -1.096 -1.096 -4.131) 4.412 8.880 ( -0.862 -0.862 1.509) 1.939 8.936 ( -3.905 -3.905 -2.591) 6.100 9.296 ( 0.629 0.629 2.818) 2.955 9.305 ( -0.028 -0.028 2.205) 2.205======================= Grid point 43 (25/75) =======================q-point: (-0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 6.486 -6.486 0.000) 9.173 1.700 ( 5.337 -5.337 0.000) 7.547 2.205 ( 1.708 -1.708 0.000) 2.415 2.257 ( -2.447 2.447 -0.000) 3.461 2.510 ( -1.848 1.848 -0.000) 2.614 2.511 ( -2.601 2.601 -0.000) 3.678 2.747 ( 4.147 -4.147 0.000) 5.865 2.819 ( -1.782 1.782 -0.000) 2.520 3.400 ( 8.956 -8.956 0.000) 12.665 3.537 ( 12.670 -12.670 0.000) 17.919 3.563 ( -4.059 4.059 -0.000) 5.740 3.845 ( -8.729 8.729 -0.000) 12.345 4.000 ( 2.687 -2.687 0.000) 3.800 4.156 ( 6.839 -6.839 0.000) 9.671 4.188 ( -9.167 9.167 -0.000) 12.964 4.358 ( -6.229 6.229 -0.000) 8.809 4.882 ( 1.110 -1.110 0.000) 1.570 4.910 ( -0.953 0.953 -0.000) 1.348 5.565 ( 1.222 -1.222 0.000) 1.728 5.626 ( -2.969 2.969 -0.000) 4.199 5.856 ( 1.405 -1.405 0.000) 1.986 5.945 ( -4.983 4.983 -0.000) 7.047 6.164 ( 1.360 -1.360 0.000) 1.924 6.205 ( -1.493 1.493 -0.000) 2.111 6.498 ( 1.398 -1.398 0.000) 1.977 6.502 ( 0.658 -0.658 0.000) 0.930 6.979 ( 2.473 -2.473 0.000) 3.498 7.050 ( -2.498 2.498 -0.000) 3.532 7.120 ( 0.208 -0.208 0.000) 0.294 7.131 ( -0.667 0.667 -0.000) 0.944 7.710 ( 5.321 -5.321 0.000) 7.526 7.859 ( -5.399 5.399 -0.000) 7.635 8.232 ( 3.716 -3.716 0.000) 5.255 8.307 ( -1.002 1.002 -0.000) 1.418 8.467 ( 1.638 -1.638 0.000) 2.316 8.510 ( -1.591 1.591 -0.000) 2.249 8.624 ( 4.052 -4.052 0.000) 5.730 8.695 ( 1.725 -1.725 0.000) 2.440 8.881 ( -2.391 2.391 -0.000) 3.381 8.934 ( -4.058 4.058 -0.000) 5.738 9.316 ( 0.217 -0.217 0.000) 0.306 9.327 ( -0.474 0.474 -0.000) 0.671======================= Grid point 95 (26/75) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 13.160 13.160 13.805) 23.173 1.265 ( 12.792 12.792 15.005) 23.503 2.020 ( 15.299 15.299 16.807) 27.397 2.117 ( 1.100 1.100 -0.071) 1.557 2.547 ( 0.249 0.249 -2.042) 2.072 2.558 ( 0.613 0.613 -3.202) 3.318 2.707 ( -0.491 -0.491 3.213) 3.287 2.879 ( 1.707 1.707 3.559) 4.301 3.007 ( -3.273 -3.273 -0.102) 4.629 3.309 ( 5.617 5.617 6.190) 10.071 3.678 ( -1.462 -1.462 3.443) 4.017 3.811 ( 1.241 1.241 -5.512) 5.784 3.994 ( -1.683 -1.683 -4.474) 5.068 4.144 ( -1.179 -1.179 -5.673) 5.913 4.482 ( -1.089 -1.089 1.650) 2.257 4.676 ( -3.206 -3.206 6.833) 8.200 4.848 ( 0.608 0.608 -0.807) 1.180 4.984 ( -1.660 -1.660 1.991) 3.078 5.723 ( -4.589 -4.589 2.691) 7.026 5.824 ( -2.567 -2.567 2.619) 4.477 5.922 ( -2.717 -2.717 -0.328) 3.857 6.117 ( -1.451 -1.451 -2.576) 3.293 6.183 ( 2.654 2.654 0.823) 3.843 6.266 ( -4.397 -4.397 -0.436) 6.233 6.343 ( 4.205 4.205 1.317) 6.091 6.444 ( -0.326 -0.326 -0.441) 0.639 6.604 ( 1.842 1.842 -13.460) 13.710 7.010 ( -2.992 -2.992 -5.988) 7.333 7.058 ( -1.306 -1.306 -4.637) 4.991 7.248 ( -1.267 -1.267 -4.172) 4.540 7.601 ( 3.454 3.454 7.504) 8.954 7.904 ( 3.011 3.011 1.799) 4.622 8.037 ( 8.695 8.695 4.362) 13.047 8.133 ( 3.602 3.602 3.046) 5.935 8.405 ( -0.294 -0.294 1.263) 1.329 8.530 ( -1.746 -1.746 -5.931) 6.424 8.545 ( 1.756 1.756 0.536) 2.540 8.940 ( -2.028 -2.028 2.112) 3.562 9.053 ( -1.095 -1.095 2.838) 3.233 9.076 ( -1.277 -1.277 0.158) 1.813 9.316 ( -4.100 -4.100 -1.072) 5.896 9.343 ( -2.298 -2.298 -0.989) 3.397======================= Grid point 96 (27/75) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 9.013 10.467 13.515) 19.325 1.626 ( 7.048 11.284 12.609) 18.329 2.126 ( 3.261 0.803 -0.390) 3.381 2.280 ( 1.909 3.916 3.119) 5.359 2.468 ( 2.802 -3.997 -5.060) 7.030 2.538 ( -2.166 1.063 -2.330) 3.354 2.777 ( 2.609 1.420 3.231) 4.388 2.939 ( 3.921 0.646 0.633) 4.024 3.024 ( -6.194 4.054 4.657) 8.745 3.564 ( 8.310 4.703 10.154) 13.938 3.625 ( -1.753 -0.624 0.967) 2.097 3.803 ( 3.331 4.653 -1.189) 5.844 3.929 ( -1.306 1.996 -3.850) 4.529 4.105 ( 1.264 -1.188 1.161) 2.087 4.453 ( -2.050 -3.740 -0.517) 4.296 4.692 ( -2.093 -3.966 2.352) 5.064 4.805 ( 2.039 -3.914 -3.055) 5.367 4.984 ( -4.049 -0.823 0.978) 4.246 5.695 ( -2.024 -3.946 1.857) 4.808 5.836 ( -5.348 -1.505 2.654) 6.157 5.887 ( -4.754 -1.683 0.132) 5.044 6.036 ( -3.000 -2.351 -4.790) 6.122 6.187 ( 1.182 0.369 -1.046) 1.621 6.231 ( -3.255 -0.613 -0.197) 3.318 6.427 ( -1.240 -1.145 -2.676) 3.164 6.439 ( -2.145 0.466 0.321) 2.219 6.525 ( 3.783 5.694 1.458) 6.990 6.891 ( 0.575 -3.285 -3.585) 4.896 6.998 ( -2.791 0.518 -4.183) 5.055 7.148 ( -0.934 -1.962 -6.991) 7.321 7.776 ( 3.167 5.099 8.938) 10.766 7.978 ( 1.526 1.457 4.940) 5.371 8.184 ( 7.857 3.261 2.891) 8.984 8.243 ( 4.650 6.695 1.172) 8.235 8.379 ( -0.093 -1.626 -3.180) 3.573 8.427 ( 0.513 0.760 -4.106) 4.207 8.598 ( 2.696 2.279 1.722) 3.928 8.908 ( -0.213 -3.614 -0.994) 3.754 9.045 ( 1.047 -1.870 0.473) 2.195 9.105 ( -4.382 1.173 2.571) 5.214 9.157 ( 3.944 -9.932 -1.776) 10.833 9.356 ( -9.536 1.755 -2.190) 9.940======================= Grid point 97 (28/75) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( 3.090 4.780 7.977) 9.799 1.882 ( 3.025 5.925 6.163) 9.069 2.136 ( 6.108 2.103 1.104) 6.553 2.261 ( 3.765 -4.113 -6.603) 8.643 2.368 ( 2.084 -1.161 -0.475) 2.432 2.515 ( -2.720 -0.437 -1.159) 2.989 2.807 ( 1.308 0.097 0.579) 1.434 2.944 ( 4.072 0.524 -0.402) 4.125 3.182 ( -5.982 5.844 6.388) 10.524 3.413 ( -4.128 -6.146 -7.288) 10.389 3.783 ( 4.834 -0.161 -1.373) 5.028 3.936 ( 4.398 6.859 5.790) 9.996 4.053 ( 2.786 0.293 8.495) 8.945 4.106 ( 4.587 7.853 2.358) 9.395 4.400 ( -2.620 -2.043 -0.081) 3.324 4.558 ( 2.514 -8.857 -9.067) 12.922 4.737 ( -1.708 -2.180 1.099) 2.979 4.989 ( -4.507 0.271 -0.003) 4.515 5.670 ( -0.638 -1.548 0.353) 1.711 5.847 ( -6.402 -0.736 1.200) 6.555 5.891 ( -5.628 0.508 1.186) 5.774 5.949 ( -5.170 -1.763 -3.118) 6.290 6.183 ( 0.897 0.093 -0.095) 0.907 6.214 ( 0.127 -0.215 -1.230) 1.255 6.374 ( -2.319 -0.614 -1.253) 2.706 6.442 ( -5.951 -0.127 0.436) 5.968 6.648 ( 3.192 3.209 2.788) 5.316 6.856 ( 0.665 0.042 2.702) 2.783 6.942 ( -0.759 -0.861 -4.818) 4.953 7.033 ( -3.069 -1.430 -4.423) 5.570 7.968 ( 3.190 4.489 9.332) 10.836 8.068 ( 1.778 1.080 4.455) 4.917 8.157 ( 3.315 -2.281 -7.665) 8.657 8.241 ( 1.430 -0.912 -3.127) 3.558 8.345 ( 6.248 0.956 0.132) 6.322 8.513 ( 3.679 6.216 3.904) 8.211 8.623 ( 4.225 0.316 -1.452) 4.479 8.833 ( -0.469 -4.164 -0.772) 4.261 9.008 ( 1.851 -3.722 -0.500) 4.187 9.053 ( 2.096 -1.004 -0.752) 2.443 9.160 ( -5.050 1.043 1.967) 5.519 9.335 ( -8.408 -0.046 -1.754) 8.589======================= Grid point 102 (29/75) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 24.453 -0.000 0.000) 24.453 0.720 ( 25.255 -0.000 0.000) 25.255 1.278 ( 43.153 -0.000 0.000) 43.153 2.106 ( 0.238 -0.000 0.000) 0.238 2.567 ( 1.060 -0.000 0.000) 1.060 2.572 ( 0.494 -0.000 0.000) 0.494 2.711 ( 2.238 -0.000 0.000) 2.238 2.804 ( -6.264 0.000 -0.000) 6.264 3.064 ( -0.718 0.000 -0.000) 0.718 3.217 ( 5.214 -0.000 0.000) 5.214 3.625 ( -4.353 0.000 -0.000) 4.353 3.873 ( -2.811 0.000 -0.000) 2.811 4.092 ( -3.645 0.000 -0.000) 3.645 4.382 ( 5.571 -0.000 0.000) 5.571 4.389 ( 4.904 -0.000 0.000) 4.904 4.558 ( -10.674 0.000 -0.000) 10.674 4.813 ( -2.956 0.000 -0.000) 2.956 4.956 ( 2.220 -0.000 0.000) 2.220 5.740 ( -5.446 0.000 -0.000) 5.446 5.904 ( -0.305 0.000 -0.000) 0.305 5.975 ( 3.279 -0.000 0.000) 3.279 6.031 ( 6.120 -0.000 0.000) 6.120 6.105 ( -5.268 0.000 -0.000) 5.268 6.363 ( 0.008 -0.000 0.000) 0.008 6.372 ( -1.238 0.000 -0.000) 1.238 6.551 ( 2.058 -0.000 0.000) 2.058 6.945 ( -1.393 0.000 -0.000) 1.393 7.151 ( -4.373 0.000 -0.000) 4.373 7.214 ( -1.961 0.000 -0.000) 1.961 7.260 ( -6.574 0.000 -0.000) 6.574 7.586 ( 7.637 -0.000 0.000) 7.637 7.652 ( 2.102 -0.000 0.000) 2.102 7.944 ( 13.600 -0.000 0.000) 13.600 8.020 ( 2.537 -0.000 0.000) 2.537 8.312 ( -1.408 0.000 -0.000) 1.408 8.554 ( 0.179 -0.000 0.000) 0.179 8.631 ( -4.419 0.000 -0.000) 4.419 8.738 ( -9.836 0.000 -0.000) 9.836 9.029 ( 3.394 -0.000 0.000) 3.394 9.092 ( -2.514 0.000 -0.000) 2.514 9.223 ( -3.912 0.000 -0.000) 3.912 9.556 ( 3.194 -0.000 0.000) 3.194======================= Grid point 105 (30/75) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 4.582 4.582 8.883) 10.995 1.859 ( 5.313 5.313 7.887) 10.894 2.172 ( 4.297 4.297 0.591) 6.105 2.297 ( 1.398 1.398 -1.727) 2.625 2.438 ( -0.364 -0.364 -4.593) 4.622 2.472 ( -1.051 -1.051 -1.405) 2.045 2.829 ( 0.376 0.376 0.588) 0.793 2.965 ( -1.762 -1.762 2.385) 3.450 3.082 ( 4.345 4.345 4.812) 7.804 3.431 ( -5.405 -5.405 -8.738) 11.610 3.846 ( 3.285 3.285 -3.091) 5.580 3.879 ( 5.671 5.671 1.107) 8.096 4.022 ( 9.744 9.744 19.214) 23.644 4.138 ( -0.054 -0.054 1.074) 1.077 4.399 ( -3.595 -3.595 -1.429) 5.281 4.648 ( -3.296 -3.296 -3.625) 5.905 4.748 ( -0.410 -0.410 -7.917) 7.938 4.942 ( -5.075 -5.075 3.437) 7.958 5.684 ( -1.986 -1.986 0.529) 2.858 5.808 ( -3.092 -3.092 1.230) 4.542 5.831 ( -3.497 -3.497 0.779) 5.006 5.929 ( -4.289 -4.289 -2.649) 6.618 6.187 ( 0.922 0.922 -1.178) 1.757 6.224 ( -1.376 -1.376 2.793) 3.404 6.358 ( -2.047 -2.047 -1.576) 3.295 6.397 ( -2.930 -2.930 -0.901) 4.240 6.649 ( 4.331 4.331 4.959) 7.881 6.865 ( -0.107 -0.107 -0.201) 0.251 6.938 ( -0.541 -0.541 -0.999) 1.258 7.022 ( -2.380 -2.380 -7.377) 8.109 7.957 ( 4.406 4.406 9.436) 11.308 8.074 ( 1.288 1.288 6.109) 6.375 8.198 ( 0.926 0.926 -9.481) 9.571 8.254 ( 0.342 0.342 -4.700) 4.725 8.393 ( 4.808 4.808 0.634) 6.829 8.480 ( 7.418 7.418 3.598) 11.090 8.652 ( 2.048 2.048 0.833) 3.014 8.862 ( -1.593 -1.593 -3.458) 4.127 9.072 ( -4.289 -4.289 2.019) 6.393 9.080 ( 0.148 0.148 1.531) 1.545 9.144 ( -1.718 -1.718 -3.059) 3.907 9.222 ( -4.157 -4.157 -1.177) 5.996======================= Grid point 106 (31/75) =======================q-point: (-0.67 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 1.366 -0.836 -1.653) 2.302 1.945 ( 0.630 -0.434 -0.770) 1.085 2.261 ( 5.825 0.454 0.645) 5.878 2.290 ( 7.006 1.844 2.306) 7.602 2.379 ( 1.878 0.741 -2.077) 2.896 2.462 ( -3.772 0.970 -0.183) 3.899 2.821 ( 0.488 -0.820 -0.238) 0.983 2.969 ( -2.555 -1.594 0.550) 3.061 3.197 ( 1.516 -0.116 0.922) 1.778 3.299 ( -3.355 1.598 0.486) 3.748 3.834 ( 5.415 2.272 -1.764) 6.131 3.978 ( 1.022 5.274 -0.284) 5.379 4.104 ( 5.121 -2.436 -3.573) 6.703 4.300 ( 2.721 -1.122 0.813) 3.054 4.366 ( 0.437 -3.943 -0.876) 4.062 4.509 ( 0.995 0.953 0.836) 1.612 4.662 ( -2.667 3.912 -5.567) 7.308 4.938 ( -6.352 -3.763 3.834) 8.319 5.662 ( -0.244 -0.611 -0.820) 1.052 5.775 ( -4.090 -1.518 -1.181) 4.519 5.826 ( -4.757 -0.830 1.254) 4.989 5.874 ( -5.550 -2.443 2.761) 6.662 6.183 ( 0.447 0.603 -0.900) 1.172 6.237 ( -0.262 -2.292 2.094) 3.116 6.344 ( -2.112 -0.812 1.432) 2.678 6.360 ( -4.955 -0.409 0.765) 5.030 6.725 ( 4.155 0.145 0.730) 4.221 6.869 ( -0.137 -0.709 -3.304) 3.382 6.930 ( -0.080 -0.221 3.772) 3.779 6.972 ( -2.803 0.931 4.165) 5.106 8.042 ( 2.355 -0.232 -9.749) 10.032 8.105 ( 1.034 -1.701 -4.666) 5.073 8.157 ( 2.673 3.240 7.519) 8.613 8.221 ( -0.264 1.675 3.461) 3.854 8.452 ( 8.859 2.903 -1.562) 9.452 8.606 ( 6.291 4.241 -2.244) 7.912 8.668 ( 3.763 1.256 -0.119) 3.969 8.806 ( -2.330 -1.769 0.562) 2.979 8.981 ( -2.877 -3.185 -3.315) 5.423 9.087 ( -0.063 -2.371 1.144) 2.633 9.125 ( 0.087 0.175 0.231) 0.302 9.209 ( -8.282 0.890 1.696) 8.500======================= Grid point 107 (32/75) =======================q-point: (-0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 5.172 -5.982 -7.714) 11.047 1.833 ( 4.203 -6.553 -7.847) 11.054 2.211 ( 6.014 -2.591 -0.882) 6.607 2.329 ( 1.339 -1.826 -0.707) 2.372 2.436 ( 1.988 5.626 3.519) 6.927 2.501 ( -3.304 1.235 2.364) 4.247 2.805 ( 0.931 -0.356 -1.917) 2.160 2.929 ( -5.386 -1.279 -2.575) 6.106 3.124 ( 6.594 -6.235 -0.014) 9.075 3.458 ( -4.582 7.172 7.353) 11.247 3.850 ( 5.680 -0.790 -6.102) 8.374 3.896 ( 8.656 -5.654 -8.738) 13.536 3.989 ( 1.502 -5.392 -3.512) 6.608 4.129 ( 2.347 -5.538 -1.524) 6.205 4.364 ( -3.118 4.884 0.659) 5.832 4.568 ( -7.616 5.351 -5.813) 10.974 4.769 ( 4.569 7.309 4.953) 9.941 4.930 ( -6.134 -3.155 1.907) 7.157 5.646 ( -0.581 0.635 -1.967) 2.147 5.746 ( -4.685 1.110 -2.358) 5.362 5.823 ( -3.387 -1.026 1.410) 3.810 5.943 ( -5.313 2.743 5.146) 7.889 6.175 ( -0.385 0.370 -1.414) 1.512 6.217 ( -1.949 -1.381 -0.093) 2.391 6.392 ( -1.338 0.832 3.765) 4.082 6.398 ( -2.281 0.626 4.819) 5.368 6.671 ( 5.010 -5.664 -0.924) 7.618 6.859 ( -0.678 1.987 1.690) 2.695 6.991 ( 0.123 -0.981 5.289) 5.381 7.094 ( -2.010 2.844 7.552) 8.316 7.880 ( 3.215 -3.530 -9.480) 10.614 7.994 ( -0.648 -0.423 -6.591) 6.637 8.285 ( 4.178 1.527 2.745) 5.227 8.313 ( 0.455 1.438 5.171) 5.386 8.419 ( 6.257 -2.142 -2.313) 7.006 8.515 ( 5.272 -4.775 -4.616) 8.480 8.676 ( 3.221 -2.165 -0.540) 3.919 8.817 ( -2.399 3.688 -2.298) 4.964 8.973 ( -2.184 6.587 -2.691) 7.443 9.053 ( -4.276 -1.350 -1.618) 4.767 9.157 ( 3.372 1.282 4.006) 5.391 9.255 ( -7.076 -0.619 3.660) 7.991======================= Grid point 108 (33/75) =======================q-point: (-0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 10.574 -10.574 -8.814) 17.358 1.585 ( 10.351 -10.351 -10.678) 18.120 2.167 ( 2.627 -2.627 -0.627) 3.767 2.285 ( 3.663 -3.663 -2.024) 5.561 2.533 ( -1.363 1.363 2.198) 2.923 2.550 ( -1.512 1.512 3.247) 3.887 2.727 ( 2.055 -2.055 -6.512) 7.131 2.911 ( -3.290 3.290 -1.537) 4.900 3.029 ( 8.745 -8.745 0.288) 12.371 3.509 ( 9.674 -9.674 -13.135) 18.966 3.617 ( -3.649 3.649 2.381) 5.684 3.880 ( 3.023 -3.023 3.185) 5.331 3.959 ( -0.573 0.573 2.631) 2.753 4.086 ( -1.404 1.404 -1.160) 2.299 4.439 ( -2.425 2.425 1.518) 3.750 4.559 ( -6.275 6.275 -7.216) 11.438 4.862 ( 0.351 -0.351 0.711) 0.868 4.931 ( -2.005 2.005 0.593) 2.897 5.627 ( -2.138 2.138 -2.973) 4.241 5.744 ( -3.183 3.183 -2.212) 5.015 5.849 ( -2.082 2.082 1.241) 3.195 6.056 ( -3.916 3.916 4.046) 6.858 6.163 ( -1.958 1.958 -1.746) 3.273 6.216 ( -0.101 0.101 0.781) 0.794 6.435 ( -0.169 0.169 2.346) 2.358 6.442 ( 2.220 -2.220 -0.690) 3.215 6.660 ( 3.237 -3.237 11.467) 12.347 6.941 ( -2.217 2.217 5.400) 6.244 7.050 ( 0.649 -0.649 5.160) 5.241 7.207 ( -1.796 1.796 3.509) 4.331 7.704 ( 3.991 -3.991 -8.101) 9.873 7.939 ( -0.501 0.501 -1.621) 1.769 8.243 ( 4.228 -4.228 -5.011) 7.802 8.267 ( 7.319 -7.319 -3.243) 10.847 8.407 ( 0.655 -0.655 1.237) 1.545 8.490 ( -0.705 0.705 4.132) 4.250 8.616 ( 3.484 -3.484 -1.188) 5.069 8.814 ( -5.539 5.539 -8.507) 11.564 9.024 ( -2.855 2.855 -2.195) 4.596 9.026 ( -1.953 1.953 -0.309) 2.779 9.260 ( -0.681 0.681 4.981) 5.073 9.283 ( -1.760 1.760 2.545) 3.559======================= Grid point 110 (34/75) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 20.510 -11.073 0.000) 23.308 1.099 ( 21.304 -7.289 0.000) 22.517 1.858 ( 26.140 -10.351 0.000) 28.114 2.131 ( 4.131 -0.882 0.000) 4.224 2.564 ( -1.303 0.173 -0.000) 1.315 2.589 ( 0.178 -0.901 0.000) 0.919 2.693 ( 1.033 4.248 -0.000) 4.372 2.815 ( 3.759 -5.163 0.000) 6.387 3.032 ( -1.342 3.577 -0.000) 3.821 3.271 ( 2.602 -0.243 0.000) 2.613 3.568 ( -4.686 -2.146 -0.000) 5.154 3.888 ( 4.260 -1.107 0.000) 4.401 4.033 ( -4.167 0.808 -0.000) 4.245 4.331 ( -9.970 6.790 -0.000) 12.062 4.435 ( -4.254 -1.086 -0.000) 4.391 4.466 ( 3.533 -1.610 0.000) 3.883 4.809 ( -0.408 -2.231 0.000) 2.268 4.968 ( 0.306 0.703 -0.000) 0.767 5.663 ( -3.401 2.019 -0.000) 3.955 5.849 ( 0.745 6.401 -0.000) 6.444 5.962 ( -1.190 4.136 -0.000) 4.304 6.101 ( -1.143 -4.195 0.000) 4.348 6.155 ( 7.928 -3.106 0.000) 8.515 6.289 ( -1.567 6.392 -0.000) 6.581 6.405 ( 1.446 -1.412 0.000) 2.021 6.527 ( 1.515 5.488 -0.000) 5.693 6.923 ( -1.633 -0.185 -0.000) 1.643 7.092 ( -4.221 -0.519 -0.000) 4.252 7.163 ( -3.970 0.099 -0.000) 3.971 7.200 ( -2.426 1.132 -0.000) 2.677 7.596 ( 7.672 5.790 -0.000) 9.612 7.835 ( 3.929 -11.994 0.000) 12.621 8.045 ( 0.733 0.828 -0.000) 1.106 8.112 ( 9.323 -1.085 0.000) 9.386 8.310 ( -2.688 -4.224 0.000) 5.007 8.554 ( -7.657 -1.794 -0.000) 7.865 8.576 ( 3.155 -0.403 0.000) 3.181 8.629 ( -7.189 -0.877 -0.000) 7.242 9.035 ( -3.391 1.396 -0.000) 3.667 9.083 ( 2.140 -0.121 0.000) 2.143 9.205 ( -2.635 -2.959 0.000) 3.963 9.531 ( 1.019 6.332 -0.000) 6.414======================= Grid point 111 (35/75) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( 21.371 -0.000 8.455) 22.983 1.134 ( 20.663 -0.000 11.511) 23.653 1.857 ( 24.511 -0.000 9.761) 26.383 2.128 ( 4.071 -0.000 0.563) 4.110 2.553 ( -0.895 0.000 -2.134) 2.314 2.581 ( 0.543 -0.000 0.008) 0.543 2.738 ( 3.166 -0.000 -0.816) 3.269 2.784 ( 0.138 -0.000 3.600) 3.602 3.066 ( 0.259 -0.000 1.754) 1.773 3.268 ( 3.122 -0.000 -0.486) 3.160 3.572 ( -6.661 0.000 2.934) 7.279 3.868 ( 4.850 -0.000 -1.911) 5.212 4.039 ( -3.812 0.000 0.177) 3.816 4.256 ( -5.783 0.000 -11.187) 12.593 4.460 ( 2.204 -0.000 0.879) 2.373 4.537 ( -7.344 -0.000 9.078) 11.676 4.793 ( -0.603 0.000 0.126) 0.616 4.985 ( 0.712 -0.000 1.698) 1.841 5.683 ( -3.783 0.000 0.989) 3.910 5.906 ( 0.361 -0.000 0.241) 0.434 6.007 ( -0.723 0.000 -0.754) 1.044 6.048 ( -0.434 -0.000 1.127) 1.208 6.155 ( 7.063 -0.000 2.692) 7.558 6.328 ( 0.370 0.000 -3.273) 3.294 6.392 ( 0.759 -0.000 2.502) 2.615 6.558 ( 1.857 0.000 -2.422) 3.052 6.790 ( 0.799 0.000 -16.830) 16.849 7.024 ( -4.661 0.000 -6.749) 8.202 7.163 ( -2.308 0.000 -1.959) 3.028 7.221 ( -3.758 -0.000 1.850) 4.189 7.673 ( 8.266 -0.000 -2.020) 8.509 7.742 ( 3.764 -0.000 5.876) 6.978 8.031 ( 4.688 0.000 -2.151) 5.158 8.099 ( 4.933 -0.000 1.500) 5.156 8.331 ( -2.148 -0.000 5.162) 5.591 8.538 ( -4.992 0.000 -2.139) 5.431 8.573 ( 1.868 -0.000 -0.587) 1.958 8.714 ( -11.912 -0.000 12.959) 17.602 9.052 ( -3.314 0.000 0.440) 3.343 9.069 ( 2.701 -0.000 -0.881) 2.841 9.172 ( -1.285 0.000 -1.911) 2.303 9.567 ( -0.242 0.000 -1.334) 1.356======================= Grid point 115 (36/75) =======================q-point: (-0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 0.093 0.093 -4.895) 4.896 1.899 ( -1.043 -1.043 -4.726) 4.951 2.320 ( 1.729 1.729 -2.613) 3.579 2.346 ( 1.517 1.517 -2.840) 3.559 2.420 ( -0.122 -0.122 1.588) 1.598 2.422 ( 1.448 1.448 3.270) 3.858 2.821 ( 0.496 0.496 -0.679) 0.977 2.890 ( -4.210 -4.210 -2.696) 6.536 3.288 ( 1.210 1.210 4.084) 4.429 3.302 ( 0.886 0.886 5.289) 5.435 3.873 ( 4.151 4.151 -2.495) 6.378 3.951 ( -1.086 -1.086 -4.172) 4.446 4.149 ( 6.340 6.340 -3.027) 9.463 4.247 ( 0.958 0.958 -5.724) 5.882 4.338 ( -5.491 -5.491 -5.907) 9.757 4.346 ( -4.596 -4.596 -7.283) 9.761 4.749 ( 6.293 6.293 6.316) 10.912 4.908 ( -5.241 -5.241 2.938) 7.973 5.646 ( 0.711 0.711 -1.819) 2.079 5.700 ( -2.875 -2.875 -2.518) 4.783 5.830 ( -1.073 -1.073 3.537) 3.849 5.856 ( -2.878 -2.878 3.512) 5.376 6.177 ( 0.250 0.250 -0.664) 0.752 6.206 ( -2.064 -2.064 -1.910) 3.489 6.376 ( -0.328 -0.328 4.830) 4.852 6.378 ( -0.517 -0.517 5.997) 6.042 6.779 ( 1.190 1.190 1.516) 2.264 6.813 ( -1.261 -1.261 -0.997) 2.043 7.018 ( 0.979 0.979 7.134) 7.267 7.038 ( -0.422 -0.422 7.031) 7.056 7.937 ( 1.485 1.485 -8.922) 9.166 7.985 ( -1.998 -1.998 -8.688) 9.136 8.295 ( 1.937 1.937 6.488) 7.042 8.299 ( 1.641 1.641 4.323) 4.907 8.509 ( 5.009 5.009 -4.668) 8.483 8.582 ( 0.774 0.774 -7.584) 7.663 8.704 ( 2.633 2.633 -0.578) 3.768 8.806 ( -3.810 -3.810 1.686) 5.646 8.893 ( 2.191 2.191 -4.391) 5.374 9.014 ( -4.646 -4.646 -2.937) 7.197 9.185 ( 0.480 0.480 4.242) 4.296 9.199 ( -0.744 -0.744 4.785) 4.899======================= Grid point 117 (37/75) =======================q-point: (-0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 4.496 -4.496 -5.424) 8.358 1.791 ( 4.074 -4.074 -6.436) 8.638 2.255 ( 3.428 -3.428 -2.730) 5.564 2.308 ( -0.463 0.463 -3.144) 3.212 2.477 ( -2.135 2.135 2.305) 3.799 2.483 ( -2.598 2.598 2.002) 4.184 2.790 ( 2.249 -2.249 -2.487) 4.038 2.844 ( -1.872 1.872 -1.671) 3.131 3.270 ( 8.299 -8.299 4.906) 12.721 3.474 ( -6.700 6.700 6.072) 11.254 3.787 ( 7.642 -7.642 -12.254) 16.339 3.889 ( -1.919 1.919 -3.289) 4.264 4.017 ( 7.161 -7.161 -2.563) 10.447 4.163 ( 6.097 -6.097 -0.280) 8.627 4.315 ( -11.370 11.370 -8.552) 18.213 4.334 ( -5.418 5.418 1.465) 7.801 4.869 ( 0.340 -0.340 1.630) 1.699 4.888 ( -1.117 1.117 1.994) 2.544 5.613 ( 0.911 -0.911 -2.770) 3.055 5.663 ( -2.601 2.601 -2.228) 4.301 5.836 ( 1.414 -1.414 1.821) 2.704 5.925 ( -4.744 4.744 2.439) 7.138 6.159 ( 0.919 -0.919 -0.512) 1.397 6.193 ( -1.325 1.325 0.186) 1.883 6.440 ( 0.545 -0.545 4.378) 4.445 6.457 ( -0.481 0.481 4.349) 4.402 6.776 ( 4.514 -4.514 6.350) 9.005 6.877 ( -2.861 2.861 5.091) 6.503 7.087 ( 2.000 -2.000 5.198) 5.918 7.150 ( -2.408 2.408 4.448) 5.601 7.809 ( 3.583 -3.583 -7.319) 8.902 7.893 ( -2.567 2.567 -4.661) 5.908 8.331 ( 2.021 -2.021 -2.550) 3.830 8.362 ( -0.030 0.030 0.475) 0.477 8.454 ( 2.808 -2.808 -1.031) 4.103 8.512 ( 0.219 -0.219 -2.527) 2.546 8.715 ( 2.780 -2.780 -0.893) 4.031 8.716 ( -0.140 0.140 -5.100) 5.104 8.929 ( -3.052 3.052 -3.355) 5.467 8.946 ( -3.340 3.340 -0.794) 4.790 9.254 ( -0.014 0.014 4.723) 4.723 9.257 ( -0.337 0.337 3.992) 4.021======================= Grid point 119 (38/75) =======================q-point: (-0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 15.704 -8.098 0.000) 17.670 1.475 ( 15.298 -9.698 0.000) 18.113 2.106 ( 1.172 -5.569 0.000) 5.691 2.254 ( 1.840 -2.654 0.000) 3.230 2.531 ( -2.852 0.886 -0.000) 2.987 2.598 ( -0.726 0.620 -0.000) 0.955 2.703 ( 7.838 2.187 0.000) 8.138 2.934 ( -0.904 6.587 -0.000) 6.648 3.053 ( 15.037 -11.585 0.000) 18.982 3.326 ( 2.052 -4.300 0.000) 4.765 3.555 ( -4.546 -4.039 0.000) 6.081 3.955 ( -2.992 -0.136 -0.000) 2.995 4.003 ( 1.744 0.854 0.000) 1.942 4.102 ( -3.835 4.477 -0.000) 5.895 4.326 ( -11.366 2.018 -0.000) 11.543 4.511 ( 1.823 1.662 -0.000) 2.466 4.843 ( 0.890 -1.807 0.000) 2.014 4.951 ( 0.034 1.932 -0.000) 1.933 5.609 ( 0.869 3.020 -0.000) 3.143 5.765 ( 0.430 7.041 -0.000) 7.054 5.902 ( 1.072 3.608 -0.000) 3.764 6.134 ( -0.277 -0.304 0.000) 0.411 6.161 ( -0.135 8.293 -0.000) 8.294 6.261 ( 3.253 1.343 0.000) 3.519 6.453 ( 4.074 -0.560 0.000) 4.113 6.491 ( 0.902 1.005 -0.000) 1.351 6.919 ( -0.346 -1.764 0.000) 1.798 7.058 ( -3.126 -1.567 -0.000) 3.497 7.119 ( -2.681 -0.241 -0.000) 2.692 7.155 ( -1.668 1.339 -0.000) 2.139 7.649 ( 7.387 1.864 0.000) 7.619 7.992 ( -2.758 2.915 -0.000) 4.013 8.042 ( 2.059 -9.978 0.000) 10.188 8.210 ( 0.521 -3.485 0.000) 3.523 8.350 ( -2.895 -6.632 0.000) 7.236 8.484 ( -7.225 -3.135 -0.000) 7.876 8.571 ( -2.152 -0.715 -0.000) 2.268 8.666 ( 8.524 -0.523 0.000) 8.540 8.945 ( -5.591 2.353 -0.000) 6.067 9.085 ( 1.431 3.940 -0.000) 4.192 9.228 ( -1.176 -4.183 0.000) 4.345 9.440 ( -1.032 6.317 -0.000) 6.401======================= Grid point 120 (39/75) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 18.248 -6.855 5.532) 20.263 1.430 ( 17.535 -4.357 7.944) 19.737 2.049 ( 2.464 -3.917 2.043) 5.059 2.229 ( 4.264 -1.923 1.314) 4.859 2.532 ( -2.082 0.883 -2.677) 3.504 2.586 ( -0.493 -0.544 -0.577) 0.934 2.764 ( 5.991 3.411 2.214) 7.241 2.912 ( 9.491 -6.580 -0.980) 11.590 3.045 ( 2.464 4.882 3.653) 6.576 3.311 ( 2.438 -2.634 3.178) 4.794 3.507 ( -6.356 -3.838 2.074) 7.709 3.954 ( 0.579 0.983 -1.743) 2.083 3.988 ( 0.927 -0.417 -0.748) 1.262 4.125 ( -6.748 2.548 -4.988) 8.770 4.392 ( -9.028 1.865 4.884) 10.433 4.523 ( 1.864 -0.919 2.159) 2.997 4.799 ( -0.562 -1.493 -2.736) 3.167 4.993 ( 1.551 1.143 2.530) 3.180 5.646 ( -0.154 1.346 0.711) 1.530 5.871 ( 1.402 6.920 0.786) 7.104 5.943 ( -0.035 3.034 -0.932) 3.174 6.107 ( 1.333 -2.647 0.167) 2.968 6.239 ( 2.450 1.371 -1.752) 3.309 6.297 ( 3.515 5.038 1.386) 6.297 6.437 ( 2.881 -2.041 0.787) 3.617 6.532 ( 1.685 5.424 -1.490) 5.872 6.801 ( -0.389 -1.512 -12.863) 12.957 6.979 ( -3.280 -1.159 -6.552) 7.418 7.122 ( -2.147 0.693 -0.712) 2.365 7.181 ( -2.860 -0.212 1.121) 3.079 7.716 ( 7.262 4.426 2.157) 8.774 7.887 ( 2.810 -8.199 0.423) 8.678 8.042 ( -1.165 0.801 0.569) 1.524 8.180 ( 1.162 -5.018 1.467) 5.355 8.304 ( -4.619 -2.886 5.352) 7.636 8.449 ( -8.084 -2.049 -0.293) 8.344 8.590 ( -4.329 -0.860 3.663) 5.736 8.672 ( 7.890 -0.685 2.669) 8.358 8.978 ( -5.266 1.653 0.616) 5.554 9.115 ( 2.582 0.066 -0.496) 2.630 9.170 ( -0.309 -1.093 -1.870) 2.188 9.509 ( -2.667 4.646 -1.235) 5.498======================= Grid point 121 (40/75) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 17.224 -0.000 10.528) 20.187 1.541 ( 15.429 -0.000 11.604) 19.306 2.056 ( 0.594 -0.000 1.940) 2.029 2.247 ( 3.230 -0.000 3.260) 4.589 2.466 ( -3.779 0.000 -7.133) 8.072 2.581 ( -0.095 0.000 -0.275) 0.291 2.799 ( 5.771 -0.000 -1.852) 6.061 2.869 ( 3.508 -0.000 1.950) 4.014 3.164 ( 4.822 -0.000 6.376) 7.994 3.339 ( 4.743 -0.000 7.212) 8.632 3.532 ( -5.430 -0.000 4.870) 7.294 3.905 ( 1.194 0.000 -6.625) 6.731 3.990 ( -5.633 0.000 0.822) 5.693 4.074 ( 2.737 0.000 -2.946) 4.021 4.444 ( -3.457 0.000 0.302) 3.470 4.581 ( -3.016 -0.000 6.969) 7.594 4.738 ( -4.474 0.000 -4.556) 6.385 5.034 ( 2.583 -0.000 1.911) 3.213 5.665 ( -0.961 -0.000 0.904) 1.319 5.925 ( 2.139 -0.000 0.226) 2.151 5.966 ( -2.799 0.000 0.075) 2.800 6.087 ( 2.758 -0.000 0.237) 2.768 6.209 ( 1.446 0.000 -3.475) 3.764 6.344 ( 3.844 -0.000 -0.467) 3.872 6.452 ( 1.564 -0.000 2.271) 2.758 6.551 ( 2.213 0.000 -2.280) 3.177 6.591 ( 2.880 0.000 -12.194) 12.529 6.884 ( -3.110 0.000 -5.403) 6.234 7.105 ( -1.517 0.000 -3.057) 3.413 7.177 ( -3.063 0.000 -1.590) 3.451 7.765 ( 6.582 -0.000 0.548) 6.605 7.877 ( 2.930 -0.000 6.844) 7.445 8.063 ( -0.055 -0.000 1.739) 1.740 8.166 ( 0.863 -0.000 3.081) 3.199 8.366 ( -2.545 -0.000 4.792) 5.426 8.406 ( -7.103 0.000 -4.096) 8.200 8.607 ( 1.085 -0.000 -0.440) 1.171 8.743 ( -2.521 -0.000 7.345) 7.765 8.998 ( -5.489 0.000 0.398) 5.503 9.073 ( 2.293 0.000 -3.546) 4.223 9.168 ( 1.744 -0.000 1.214) 2.125 9.521 ( -2.992 0.000 -1.897) 3.543======================= Grid point 128 (41/75) =======================q-point: (-0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 7.781 -3.797 0.000) 8.658 1.723 ( 6.835 -3.203 0.000) 7.548 2.181 ( 0.900 -3.624 0.000) 3.734 2.234 ( -3.042 0.843 -0.000) 3.157 2.480 ( -2.021 -0.487 -0.000) 2.079 2.527 ( -3.691 3.304 -0.000) 4.954 2.795 ( 5.883 -0.072 0.000) 5.883 2.858 ( 0.403 4.421 -0.000) 4.439 3.388 ( 5.623 -7.882 0.000) 9.682 3.483 ( 0.941 -8.048 0.000) 8.103 3.551 ( 4.636 -6.158 0.000) 7.708 3.817 ( -10.077 6.752 -0.000) 12.130 3.936 ( -2.238 -4.844 0.000) 5.336 4.084 ( -13.966 3.554 -0.000) 14.412 4.260 ( 13.441 -1.782 0.000) 13.559 4.445 ( -0.760 9.380 -0.000) 9.411 4.880 ( 1.310 -1.472 0.000) 1.970 4.918 ( -0.719 2.121 -0.000) 2.239 5.614 ( 4.692 1.776 0.000) 5.017 5.678 ( 0.512 6.476 -0.000) 6.496 5.910 ( 5.867 1.892 0.000) 6.165 6.007 ( -0.499 9.361 -0.000) 9.375 6.180 ( 2.974 -0.462 0.000) 3.010 6.232 ( -0.037 3.966 -0.000) 3.966 6.501 ( 1.520 -0.701 0.000) 1.673 6.512 ( 1.161 0.024 0.000) 1.161 6.966 ( 1.536 -3.432 0.000) 3.760 7.029 ( -3.280 0.264 -0.000) 3.291 7.103 ( -0.958 -1.270 0.000) 1.591 7.121 ( -1.722 0.317 -0.000) 1.751 7.744 ( 6.530 -2.033 0.000) 6.839 7.874 ( -4.084 5.994 -0.000) 7.253 8.176 ( -0.967 -7.627 0.000) 7.688 8.228 ( -5.465 -4.238 0.000) 6.915 8.396 ( -3.168 -6.177 0.000) 6.942 8.437 ( -6.271 -3.130 -0.000) 7.009 8.615 ( 3.778 -4.034 0.000) 5.527 8.732 ( -1.618 3.606 -0.000) 3.952 8.894 ( 5.467 -0.321 0.000) 5.476 9.012 ( -0.165 7.989 -0.000) 7.991 9.279 ( 0.544 -3.798 0.000) 3.837 9.348 ( -2.725 3.253 -0.000) 4.244======================= Grid point 129 (42/75) =======================q-point: (-0.33 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 10.999 -4.606 3.623) 12.462 1.702 ( 12.522 -4.077 5.025) 14.095 2.129 ( 1.447 -4.983 0.940) 5.273 2.249 ( -1.968 -0.531 1.442) 2.497 2.473 ( -3.541 1.105 -2.318) 4.374 2.553 ( -3.957 1.757 -1.432) 4.560 2.816 ( 5.348 0.971 1.775) 5.718 2.932 ( -0.727 4.887 1.252) 5.097 3.207 ( 8.888 -7.511 -5.492) 12.867 3.436 ( 0.653 -6.574 5.993) 8.920 3.505 ( 1.500 -5.965 4.301) 7.506 3.856 ( -8.724 3.167 -4.638) 10.375 3.912 ( -5.552 -0.790 1.248) 5.745 4.161 ( -5.814 1.422 4.632) 7.568 4.264 ( 7.791 1.794 2.006) 8.243 4.533 ( 0.746 3.074 0.686) 3.237 4.813 ( -0.621 -1.713 -5.446) 5.742 4.988 ( 1.485 2.908 3.501) 4.787 5.646 ( 3.524 1.975 0.436) 4.063 5.782 ( 0.886 7.447 0.942) 7.558 5.941 ( 5.459 2.955 -0.784) 6.256 6.118 ( 0.868 5.841 -2.023) 6.242 6.193 ( 2.752 3.427 0.612) 4.437 6.288 ( 1.623 4.719 -0.303) 5.000 6.474 ( 1.079 0.488 -2.470) 2.739 6.522 ( 2.718 0.945 0.467) 2.915 6.841 ( 1.639 -3.396 -9.513) 10.234 6.958 ( -2.471 -0.919 -6.518) 7.031 7.099 ( -1.097 -0.664 -0.315) 1.320 7.145 ( -2.954 -0.325 1.159) 3.190 7.760 ( 5.364 1.698 2.361) 6.102 7.925 ( -2.637 2.869 -1.633) 4.225 8.079 ( -2.030 -9.776 4.104) 10.795 8.228 ( -3.675 -3.671 6.718) 8.491 8.304 ( -4.698 -6.915 0.482) 8.374 8.386 ( -7.033 -3.465 -0.750) 7.876 8.587 ( 1.092 -2.521 1.907) 3.345 8.792 ( 4.480 1.785 3.016) 5.688 8.891 ( 0.608 1.165 -0.830) 1.554 9.108 ( 1.199 4.766 0.789) 4.978 9.207 ( 0.419 -3.884 -2.448) 4.611 9.393 ( -4.150 4.869 -1.346) 6.538======================= Grid point 130 (43/75) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 12.714 -3.007 6.998) 14.821 1.754 ( 13.257 -2.127 8.289) 15.778 2.082 ( 0.853 -3.142 0.579) 3.307 2.259 ( -1.367 -1.117 2.063) 2.715 2.408 ( -4.956 -0.365 -8.251) 9.632 2.562 ( -2.360 1.286 0.071) 2.689 2.842 ( 3.340 0.985 -0.779) 3.569 2.951 ( 1.705 -2.980 -2.164) 4.058 3.158 ( 2.704 4.063 2.964) 5.710 3.423 ( -3.311 -3.450 3.345) 5.835 3.543 ( 4.786 -4.850 11.256) 13.158 3.818 ( -6.868 1.737 -5.254) 8.820 3.916 ( -6.281 -1.212 1.487) 6.567 4.205 ( 10.688 -0.669 2.268) 10.947 4.367 ( -2.257 3.657 4.845) 6.477 4.566 ( -0.998 -0.651 2.609) 2.868 4.695 ( -3.107 -1.429 -8.453) 9.119 5.064 ( 3.071 1.784 2.286) 4.224 5.671 ( 2.470 0.772 0.388) 2.617 5.888 ( -0.763 5.763 0.771) 5.864 5.961 ( 4.868 1.980 -1.080) 5.365 6.125 ( 2.852 1.592 -2.152) 3.911 6.221 ( 1.746 1.584 -3.143) 3.929 6.357 ( 2.797 4.048 -0.400) 4.936 6.460 ( 0.676 1.496 -2.189) 2.736 6.545 ( 0.999 3.258 -2.837) 4.434 6.669 ( 5.256 -3.131 -5.831) 8.452 6.858 ( -2.116 -1.275 -5.050) 5.622 7.076 ( -1.245 1.003 -3.137) 3.521 7.138 ( -3.052 -0.192 -1.419) 3.371 7.815 ( 2.716 1.567 1.315) 3.401 7.942 ( 1.840 -1.796 4.562) 5.236 8.047 ( -3.101 -3.818 4.467) 6.644 8.196 ( -3.792 -5.864 1.636) 7.173 8.310 ( -6.035 -2.148 2.384) 6.835 8.337 ( -5.169 -1.390 2.253) 5.807 8.583 ( -1.715 -1.634 1.211) 2.660 8.838 ( 10.608 -0.502 1.975) 10.802 8.913 ( -5.347 1.512 1.049) 5.655 9.113 ( 1.142 -2.294 -3.460) 4.306 9.174 ( 1.390 2.348 1.284) 3.015 9.437 ( -4.809 3.824 -1.298) 6.279======================= Grid point 131 (44/75) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 10.604 -0.000 8.694) 13.712 1.849 ( 10.070 -0.000 7.116) 12.330 2.060 ( 0.508 0.000 -0.505) 0.716 2.241 ( -5.965 0.000 -8.980) 10.781 2.307 ( -2.567 0.000 0.377) 2.595 2.572 ( -0.384 0.000 -0.483) 0.617 2.819 ( 1.391 0.000 -2.808) 3.133 2.887 ( 1.562 0.000 -2.323) 2.800 3.269 ( 0.048 -0.000 6.452) 6.452 3.450 ( -2.029 -0.000 2.020) 2.863 3.632 ( -5.252 -0.000 4.531) 6.936 3.807 ( 3.591 -0.000 5.597) 6.650 3.925 ( -5.396 0.000 1.109) 5.509 4.221 ( 13.243 -0.000 0.555) 13.255 4.432 ( 0.364 -0.000 0.930) 0.999 4.526 ( -6.112 0.000 -9.628) 11.404 4.649 ( -3.426 -0.000 5.825) 6.758 5.087 ( 3.611 -0.000 -0.733) 3.685 5.679 ( 1.941 -0.000 0.128) 1.945 5.941 ( -2.212 -0.000 1.290) 2.560 5.969 ( 3.754 -0.000 0.059) 3.755 6.112 ( 3.058 0.000 -2.733) 4.101 6.180 ( 1.611 0.000 -2.907) 3.323 6.319 ( 2.314 0.000 -8.462) 8.773 6.425 ( 0.375 0.000 -1.951) 1.987 6.543 ( 0.624 0.000 -1.285) 1.428 6.636 ( 4.828 -0.000 1.601) 5.087 6.819 ( -0.506 -0.000 0.647) 0.822 7.025 ( -1.829 0.000 -5.786) 6.068 7.109 ( -1.806 0.000 -2.763) 3.301 7.864 ( 1.894 -0.000 5.880) 6.178 7.998 ( 2.005 -0.000 4.469) 4.898 8.060 ( -2.850 -0.000 1.487) 3.215 8.181 ( -4.853 0.000 -0.464) 4.875 8.273 ( -3.934 0.000 -0.796) 4.014 8.404 ( -3.050 -0.000 6.008) 6.737 8.570 ( -2.863 0.000 -1.399) 3.186 8.845 ( 7.323 -0.000 -0.165) 7.325 8.936 ( -2.553 0.000 0.901) 2.707 9.052 ( 1.145 0.000 -2.750) 2.979 9.225 ( 1.250 -0.000 3.075) 3.320 9.449 ( -3.892 0.000 -1.010) 4.021======================= Grid point 137 (45/75) =======================q-point: ( 0.56 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 2.175 2.175 2.097) 3.723 1.822 ( 2.947 2.947 4.034) 5.801 2.208 ( -1.148 -1.148 1.457) 2.181 2.215 ( -0.159 -0.159 2.041) 2.053 2.459 ( -1.099 -1.099 -1.197) 1.962 2.466 ( -1.874 -1.874 -1.955) 3.293 2.863 ( 2.487 2.487 0.029) 3.517 2.879 ( 1.804 1.804 2.572) 3.623 3.362 ( -4.591 -4.591 -4.198) 7.731 3.401 ( -2.467 -2.467 -3.866) 5.208 3.699 ( -3.251 -3.251 0.899) 4.684 3.706 ( -1.337 -1.337 5.235) 5.566 3.931 ( -4.330 -4.330 2.039) 6.454 3.985 ( -1.159 -1.159 7.616) 7.791 4.431 ( 5.191 5.191 0.192) 7.343 4.445 ( 5.191 5.191 0.789) 7.384 4.823 ( -0.934 -0.934 -6.728) 6.857 4.971 ( 2.024 2.024 4.240) 5.116 5.674 ( 3.658 3.658 -0.920) 5.255 5.720 ( 3.804 3.804 2.300) 5.850 5.998 ( 5.741 5.741 -2.054) 8.375 6.027 ( 5.755 5.755 -0.147) 8.140 6.220 ( 1.925 1.925 -1.099) 2.935 6.240 ( 3.103 3.103 0.856) 4.471 6.483 ( 0.266 0.266 -3.097) 3.120 6.531 ( 1.132 1.132 -0.839) 1.807 6.905 ( -1.138 -1.138 -6.779) 6.968 6.928 ( -0.655 -0.655 -7.595) 7.651 7.109 ( -1.402 -1.402 1.796) 2.675 7.114 ( -1.535 -1.535 -0.674) 2.274 7.810 ( 0.847 0.847 -1.073) 1.608 7.851 ( 1.276 1.276 3.439) 3.884 8.148 ( -5.184 -5.184 2.739) 7.826 8.214 ( -5.771 -5.771 7.795) 11.286 8.332 ( -5.967 -5.967 -1.594) 8.588 8.353 ( -4.896 -4.896 0.456) 6.939 8.655 ( -0.356 -0.356 -0.622) 0.800 8.725 ( -0.047 -0.047 4.794) 4.794 8.971 ( 4.749 4.749 -2.321) 7.105 9.047 ( 3.907 3.907 2.660) 6.132 9.269 ( -1.420 -1.420 -2.883) 3.513 9.295 ( -0.864 -0.864 -1.071) 1.624======================= Grid point 139 (46/75) =======================q-point: (-0.33 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 5.578 -0.270 4.043) 6.895 1.908 ( 6.712 1.183 4.629) 8.239 2.172 ( 2.689 -4.942 0.709) 5.671 2.257 ( -0.895 -0.537 2.742) 2.933 2.364 ( -3.254 -2.977 -7.256) 8.491 2.474 ( -5.343 2.953 0.030) 6.105 2.874 ( 2.333 0.367 -1.446) 2.770 2.953 ( -0.783 1.195 3.631) 3.902 3.212 ( 2.068 -5.379 -2.921) 6.460 3.363 ( -5.402 1.495 -1.551) 5.816 3.632 ( -4.520 -6.359 1.804) 8.008 3.741 ( -6.473 -2.668 2.956) 7.600 3.929 ( 4.541 -3.288 6.790) 8.805 4.177 ( -3.948 5.816 10.559) 12.685 4.440 ( 10.427 -0.458 0.637) 10.457 4.542 ( -1.357 2.710 0.101) 3.033 4.691 ( -0.447 -1.093 -9.562) 9.635 5.064 ( 2.933 3.716 3.025) 5.618 5.703 ( 4.498 2.039 -0.248) 4.944 5.808 ( 0.728 5.071 1.283) 5.281 6.015 ( 8.049 3.328 -2.920) 9.186 6.104 ( 3.205 7.123 -3.912) 8.736 6.225 ( 2.444 1.742 -1.447) 3.332 6.327 ( 3.123 5.487 1.590) 6.511 6.450 ( 1.003 1.220 -2.553) 3.002 6.510 ( 0.480 2.381 -5.177) 5.719 6.786 ( 3.818 -3.407 -4.646) 6.911 6.848 ( -1.882 -0.303 -4.005) 4.436 7.052 ( -1.583 -0.561 -4.355) 4.668 7.103 ( -1.974 -0.077 -1.669) 2.586 7.812 ( -0.883 -0.160 1.773) 1.987 7.941 ( -0.420 0.821 6.642) 6.706 8.111 ( -1.883 -7.199 4.320) 8.604 8.196 ( -7.163 -6.156 -2.477) 9.764 8.277 ( -7.069 -4.319 6.960) 10.820 8.302 ( -3.944 -3.805 1.117) 5.593 8.626 ( 2.190 -2.636 0.267) 3.437 8.805 ( -4.226 2.488 2.382) 5.452 8.996 ( 10.228 0.629 1.649) 10.379 9.129 ( -0.220 3.351 0.136) 3.361 9.180 ( 1.362 -3.049 -2.793) 4.354 9.311 ( -4.321 4.322 -0.958) 6.186======================= Grid point 140 (47/75) =======================q-point: (-0.22 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 4.987 -0.003 3.296) 5.978 1.955 ( 3.694 -0.020 -0.882) 3.798 2.127 ( 5.544 -3.354 2.879) 7.090 2.183 ( -5.155 -3.513 -10.990) 12.637 2.283 ( -1.451 -1.041 2.897) 3.403 2.526 ( -4.028 2.765 0.982) 4.983 2.828 ( -0.737 -1.522 -3.569) 3.949 2.944 ( 2.839 -2.927 -1.988) 4.536 3.226 ( -1.483 3.621 4.944) 6.305 3.393 ( -2.795 2.820 0.150) 3.973 3.584 ( -5.517 -5.253 3.827) 8.526 3.754 ( -9.893 -1.355 3.565) 10.603 3.995 ( 8.948 -2.173 6.980) 11.555 4.335 ( 0.930 -0.497 -5.576) 5.675 4.394 ( -3.140 0.973 -0.016) 3.287 4.534 ( 5.504 0.966 0.633) 5.624 4.625 ( 0.359 -0.736 1.958) 2.122 5.128 ( 4.561 2.329 -0.254) 5.128 5.720 ( 4.503 0.698 0.012) 4.557 5.886 ( -1.108 3.874 1.220) 4.209 6.019 ( 6.246 2.628 -2.319) 7.162 6.121 ( 3.626 4.507 -4.339) 7.231 6.211 ( 2.235 0.349 -2.998) 3.756 6.349 ( 3.273 0.825 -5.994) 6.879 6.430 ( 1.473 1.009 -1.835) 2.560 6.519 ( 0.037 4.073 -0.580) 4.114 6.694 ( 1.850 -1.802 -3.930) 4.702 6.825 ( 0.796 -0.397 2.453) 2.610 6.996 ( -1.388 0.477 -5.041) 5.251 7.075 ( -1.601 1.428 -2.721) 3.465 7.864 ( -2.141 -0.762 7.072) 7.428 8.006 ( -2.237 -2.485 0.616) 3.400 8.084 ( -1.924 -5.152 4.545) 7.134 8.103 ( -5.194 -1.012 -0.752) 5.345 8.245 ( -3.852 -3.437 0.838) 5.230 8.344 ( -6.466 -1.157 5.245) 8.406 8.591 ( 2.833 -2.208 -0.574) 3.637 8.844 ( -3.530 1.582 -0.356) 3.885 9.016 ( 8.994 -1.374 1.624) 9.242 9.078 ( 0.478 -2.323 -2.812) 3.678 9.214 ( 0.579 3.102 2.425) 3.980 9.369 ( -3.427 3.770 0.714) 5.145======================= Grid point 141 (48/75) =======================q-point: (-0.11 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -4.164 0.000 -9.050) 9.962 1.877 ( -3.975 0.000 -11.318) 11.995 2.040 ( -0.931 0.000 -0.948) 1.329 2.192 ( 8.568 -0.000 7.626) 11.471 2.315 ( -1.666 -0.000 2.236) 2.788 2.555 ( -2.410 0.000 0.300) 2.429 2.767 ( -1.941 0.000 -2.844) 3.443 2.895 ( 4.046 -0.000 -1.395) 4.280 3.314 ( -5.888 0.000 -1.856) 6.173 3.415 ( -0.161 -0.000 4.667) 4.670 3.630 ( -1.798 -0.000 7.044) 7.270 3.802 ( -9.133 -0.000 4.406) 10.140 4.006 ( 0.897 0.000 -8.419) 8.466 4.122 ( -3.385 0.000 -10.254) 10.798 4.467 ( 4.343 -0.000 3.235) 5.415 4.567 ( 9.801 -0.000 3.469) 10.397 4.698 ( -2.761 -0.000 7.379) 7.878 5.117 ( 5.395 0.000 -3.297) 6.322 5.725 ( 4.775 -0.000 0.183) 4.778 5.942 ( -1.779 -0.000 2.702) 3.235 6.013 ( 4.035 0.000 -1.889) 4.455 6.103 ( 2.874 0.000 -3.937) 4.874 6.163 ( 1.385 0.000 -2.827) 3.148 6.270 ( 4.310 0.000 -4.184) 6.007 6.424 ( 1.317 0.000 -0.827) 1.555 6.527 ( 0.155 0.000 -1.670) 1.677 6.639 ( -2.372 0.000 -3.709) 4.403 6.885 ( 0.011 -0.000 4.239) 4.239 6.922 ( 1.306 0.000 -3.834) 4.051 7.071 ( -0.746 0.000 0.075) 0.749 7.930 ( -6.371 0.000 -5.896) 8.680 7.976 ( -1.157 -0.000 8.319) 8.399 8.083 ( -4.774 0.000 0.211) 4.779 8.115 ( 2.002 -0.000 2.209) 2.981 8.244 ( -3.839 -0.000 2.094) 4.374 8.388 ( -7.522 0.000 2.072) 7.803 8.565 ( 3.894 -0.000 -0.367) 3.912 8.850 ( -2.453 0.000 0.208) 2.461 9.017 ( 6.594 -0.000 0.220) 6.597 9.038 ( 1.729 -0.000 -0.215) 1.743 9.262 ( 0.782 -0.000 0.529) 0.944 9.421 ( -1.237 -0.000 2.860) 3.116======================= Grid point 148 (49/75) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 1.492 1.492 1.128) 2.392 1.966 ( 0.716 0.716 -5.017) 5.118 2.178 ( -4.729 -4.729 -10.386) 12.353 2.200 ( -0.099 -0.099 2.854) 2.858 2.320 ( 0.521 0.521 4.086) 4.151 2.435 ( -1.383 -1.383 1.858) 2.697 2.836 ( -2.222 -2.222 -3.522) 4.720 3.001 ( 0.405 0.405 2.737) 2.796 3.171 ( -0.314 -0.314 -3.717) 3.743 3.351 ( 1.676 1.676 3.801) 4.479 3.602 ( -4.596 -4.596 4.942) 8.165 3.671 ( -6.954 -6.954 2.914) 10.258 4.097 ( 2.789 2.789 5.846) 7.052 4.310 ( 0.006 0.006 -2.037) 2.037 4.369 ( -2.911 -2.911 -3.030) 5.112 4.563 ( 0.602 0.602 4.013) 4.102 4.655 ( 3.761 3.761 -1.316) 5.479 5.143 ( 4.594 4.594 0.574) 6.523 5.758 ( 3.702 3.702 0.017) 5.236 5.839 ( 1.694 1.694 1.176) 2.669 6.050 ( 5.736 5.736 -5.278) 9.678 6.111 ( 4.983 4.983 -3.667) 7.944 6.222 ( 1.633 1.633 -3.026) 3.806 6.374 ( 2.593 2.593 -3.174) 4.850 6.444 ( 2.155 2.155 -1.728) 3.503 6.466 ( 2.296 2.296 -1.241) 3.477 6.726 ( -0.672 -0.672 -6.064) 6.138 6.832 ( -0.672 -0.672 0.986) 1.370 6.988 ( 0.396 0.396 -1.536) 1.635 7.045 ( -0.065 -0.065 -4.590) 4.591 7.850 ( -2.528 -2.528 7.924) 8.693 8.023 ( -2.161 -2.161 6.218) 6.928 8.041 ( -6.445 -6.445 -5.374) 10.581 8.129 ( -1.765 -1.765 2.033) 3.219 8.274 ( -6.225 -6.225 4.947) 10.099 8.274 ( -2.855 -2.855 2.001) 4.507 8.645 ( 0.351 0.351 -0.446) 0.668 8.792 ( -0.464 -0.464 0.826) 1.055 9.095 ( -0.812 -0.812 -1.953) 2.265 9.120 ( -0.778 -0.778 -1.417) 1.794 9.188 ( 4.926 4.926 4.338) 8.206 9.296 ( 1.834 1.834 1.084) 2.811======================= Grid point 149 (50/75) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( -4.496 -2.058 -14.055) 14.900 1.830 ( -4.796 -2.913 -15.624) 16.600 2.053 ( -0.447 -1.739 0.911) 2.013 2.266 ( 1.595 1.632 3.767) 4.404 2.346 ( 4.023 -3.955 4.171) 7.015 2.480 ( -5.262 2.304 1.714) 5.994 2.756 ( -2.561 -2.502 -2.364) 4.290 2.994 ( 7.112 -2.334 -1.026) 7.555 3.175 ( -4.836 6.684 -3.560) 8.985 3.435 ( -0.581 -2.097 7.154) 7.478 3.628 ( -0.961 -2.826 6.756) 7.386 3.692 ( -6.440 0.356 6.153) 8.914 3.977 ( -7.736 -5.442 -22.045) 23.989 4.142 ( 2.561 -0.181 -1.767) 3.116 4.513 ( 4.453 2.628 6.233) 8.098 4.642 ( 0.630 0.417 6.438) 6.483 4.685 ( 1.741 -0.232 3.274) 3.716 5.182 ( 6.121 2.960 -2.955) 7.414 5.795 ( 5.724 0.993 0.717) 5.854 5.896 ( -0.851 3.111 2.196) 3.902 6.051 ( 5.178 3.892 -4.088) 7.660 6.116 ( 3.486 3.093 -3.823) 6.027 6.187 ( 1.115 0.147 -3.897) 4.056 6.335 ( 4.515 0.259 -3.460) 5.695 6.438 ( 1.902 0.711 -1.503) 2.526 6.504 ( -1.117 2.747 -1.162) 3.185 6.615 ( -1.655 -1.495 -7.885) 8.195 6.857 ( -0.725 1.426 2.028) 2.583 6.973 ( 3.404 -1.308 0.162) 3.650 7.039 ( -1.307 2.476 1.138) 3.023 7.863 ( -7.004 -4.134 -5.152) 9.628 7.974 ( -1.395 -2.119 8.506) 8.876 8.037 ( -3.483 -1.566 0.850) 3.912 8.134 ( -1.711 -1.158 0.629) 2.159 8.220 ( -3.471 -5.126 2.297) 6.602 8.305 ( -4.649 -0.017 3.084) 5.579 8.626 ( 2.740 -0.884 -1.325) 3.169 8.809 ( -2.183 0.368 1.101) 2.472 9.052 ( 0.333 -1.792 -0.736) 1.966 9.085 ( -0.615 -0.890 -0.009) 1.082 9.297 ( 6.607 1.218 2.395) 7.133 9.377 ( -0.145 5.039 3.822) 6.327======================= Grid point 150 (51/75) =======================q-point: (-0.11 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( -8.158 0.000 -20.408) 21.978 1.580 ( -9.460 0.000 -17.486) 19.880 2.068 ( 0.198 -0.000 1.694) 1.706 2.275 ( -3.696 0.000 -5.710) 6.802 2.384 ( 4.741 -0.000 6.176) 7.786 2.515 ( -4.176 0.000 1.436) 4.416 2.718 ( -1.274 0.000 -0.907) 1.564 2.957 ( 7.126 -0.000 -1.622) 7.308 3.175 ( -4.639 0.000 -4.387) 6.384 3.472 ( -2.563 0.000 -5.124) 5.729 3.610 ( -9.771 0.000 -4.960) 10.958 3.747 ( 1.974 -0.000 1.335) 2.383 3.828 ( -1.817 -0.000 9.860) 10.026 4.087 ( -0.716 0.000 -4.453) 4.510 4.564 ( 6.039 -0.000 -0.389) 6.051 4.707 ( 2.893 -0.000 4.210) 5.108 4.768 ( -1.391 -0.000 6.001) 6.160 5.143 ( 6.224 0.000 -5.227) 8.128 5.809 ( 6.624 -0.000 0.286) 6.630 5.955 ( -1.328 -0.000 1.540) 2.033 6.035 ( 4.034 0.000 -1.905) 4.461 6.095 ( 2.559 0.000 -2.565) 3.623 6.134 ( -0.451 0.000 -2.643) 2.682 6.308 ( 5.045 -0.000 -0.702) 5.094 6.430 ( 0.478 0.000 -0.378) 0.609 6.465 ( -3.403 0.000 -7.461) 8.201 6.515 ( -3.939 0.000 -3.929) 5.564 6.894 ( 3.231 -0.000 2.498) 4.085 7.015 ( 2.325 -0.000 5.562) 6.028 7.088 ( -0.843 -0.000 3.699) 3.794 7.745 ( -6.664 0.000 -7.189) 9.803 7.972 ( -1.141 0.000 -4.061) 4.218 8.070 ( -4.780 0.000 -0.867) 4.858 8.096 ( -2.969 0.000 -1.597) 3.372 8.272 ( -2.613 -0.000 10.528) 10.848 8.355 ( -1.828 -0.000 4.062) 4.454 8.592 ( 1.971 0.000 -2.856) 3.470 8.830 ( -3.036 -0.000 2.350) 3.839 9.042 ( 1.363 -0.000 0.763) 1.562 9.093 ( -0.387 -0.000 1.683) 1.727 9.312 ( 7.146 -0.000 -0.691) 7.179 9.475 ( 1.500 -0.000 4.027) 4.297======================= Grid point 158 (52/75) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( -5.303 -5.303 -21.373) 22.651 1.499 ( -5.303 -5.303 -20.388) 21.724 2.071 ( -0.429 -0.429 1.705) 1.810 2.242 ( -1.846 -1.846 -8.136) 8.545 2.447 ( -0.010 -0.010 3.898) 3.898 2.456 ( -0.762 -0.762 3.084) 3.267 2.711 ( -1.156 -1.156 -0.553) 1.726 3.072 ( 2.435 2.435 -5.524) 6.509 3.076 ( 2.520 2.520 -0.699) 3.631 3.481 ( -5.977 -5.977 -21.580) 23.176 3.514 ( -3.341 -3.341 9.716) 10.804 3.764 ( 2.416 2.416 7.926) 8.631 3.816 ( -1.079 -1.079 8.543) 8.678 4.082 ( -1.521 -1.521 -6.454) 6.803 4.611 ( 3.420 3.420 -1.100) 4.960 4.736 ( 0.075 0.075 5.881) 5.882 4.745 ( -0.453 -0.453 5.215) 5.254 5.191 ( 3.504 3.504 -5.887) 7.694 5.877 ( 3.544 3.544 0.794) 5.074 5.921 ( 0.904 0.904 1.426) 1.915 6.063 ( 3.916 3.916 -3.392) 6.494 6.110 ( 1.810 1.810 -1.753) 3.103 6.135 ( -0.792 -0.792 -3.727) 3.892 6.359 ( 2.889 2.889 -1.217) 4.263 6.428 ( -0.814 -0.814 -5.382) 5.504 6.440 ( -2.206 -2.206 -7.880) 8.475 6.471 ( -0.809 -0.809 -1.127) 1.607 6.927 ( 2.207 2.207 6.005) 6.767 7.026 ( 2.145 2.145 2.271) 3.789 7.079 ( -0.546 -0.546 5.230) 5.286 7.695 ( -4.551 -4.551 -6.739) 9.318 7.982 ( -0.578 -0.578 -4.212) 4.291 8.018 ( -1.945 -1.945 -3.172) 4.199 8.082 ( -3.177 -3.177 -1.832) 4.852 8.249 ( -3.157 -3.157 12.655) 13.420 8.343 ( -0.352 -0.352 5.418) 5.440 8.609 ( 0.460 0.460 -3.993) 4.046 8.807 ( -1.423 -1.423 1.844) 2.730 9.064 ( -0.157 -0.157 1.513) 1.529 9.074 ( -0.760 -0.760 1.422) 1.782 9.373 ( 1.230 1.230 1.045) 2.030 9.479 ( 5.109 5.109 4.193) 8.354======================= Grid point 159 (53/75) =======================q-point: (-0.11 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -6.637 0.000 -23.980) 24.881 1.164 ( -10.114 0.000 -22.944) 25.075 1.974 ( -6.898 0.000 -27.921) 28.761 2.088 ( -0.534 -0.000 0.985) 1.121 2.484 ( 0.937 -0.000 3.496) 3.619 2.503 ( -1.868 -0.000 2.559) 3.169 2.705 ( -0.505 -0.000 0.532) 0.733 3.010 ( 6.853 0.000 -4.775) 8.352 3.096 ( -0.768 0.000 -1.896) 2.045 3.203 ( -6.918 0.000 -9.681) 11.899 3.642 ( -1.413 -0.000 11.333) 11.420 3.847 ( 6.419 -0.000 -1.605) 6.616 3.955 ( -1.160 -0.000 10.174) 10.239 4.001 ( -4.240 0.000 0.887) 4.332 4.598 ( 3.273 0.000 -3.282) 4.635 4.781 ( 1.819 -0.000 1.790) 2.552 4.804 ( -1.279 -0.000 2.126) 2.481 5.119 ( 2.670 0.000 -7.646) 8.098 5.887 ( 5.489 -0.000 -1.887) 5.805 5.938 ( -0.948 0.000 -1.541) 1.809 6.037 ( -0.379 0.000 -4.960) 4.975 6.097 ( 3.028 -0.000 -0.275) 3.041 6.130 ( 0.959 -0.000 1.751) 1.996 6.251 ( -5.340 0.000 -8.881) 10.363 6.381 ( 2.294 -0.000 1.323) 2.649 6.428 ( -1.924 0.000 0.685) 2.043 6.448 ( -1.583 0.000 -1.050) 1.899 7.032 ( 6.533 -0.000 6.363) 9.120 7.104 ( 1.004 -0.000 4.207) 4.325 7.147 ( -1.872 -0.000 7.671) 7.896 7.575 ( -4.590 0.000 -6.132) 7.659 7.885 ( 0.318 0.000 -7.865) 7.872 7.921 ( -4.304 0.000 -8.102) 9.175 8.036 ( -3.514 0.000 -0.836) 3.612 8.410 ( 0.289 -0.000 4.315) 4.325 8.424 ( -1.178 -0.000 13.364) 13.415 8.547 ( 0.115 0.000 -4.912) 4.914 8.825 ( -2.906 -0.000 2.982) 4.164 9.081 ( 1.420 -0.000 1.639) 2.169 9.099 ( -1.189 -0.000 1.684) 2.061 9.388 ( 3.141 -0.000 0.460) 3.175 9.567 ( 5.577 -0.000 2.154) 5.979======================= Grid point 168 (54/75) =======================q-point: (-0.11 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 0.000 0.000 -26.583) 26.583 0.737 ( 0.000 0.000 -26.583) 26.583 1.392 ( 0.000 0.000 -45.649) 45.649 2.099 ( -0.000 -0.000 0.750) 0.750 2.523 ( -0.000 -0.000 1.954) 1.954 2.523 ( -0.000 -0.000 1.954) 1.954 2.719 ( -0.000 -0.000 1.713) 1.713 3.009 ( 0.000 0.000 -4.749) 4.749 3.080 ( 0.000 0.000 -0.498) 0.498 3.080 ( 0.000 0.000 -0.498) 0.498 3.795 ( 0.000 0.000 -7.111) 7.111 3.808 ( -0.000 -0.000 11.408) 11.408 4.061 ( -0.000 -0.000 7.221) 7.221 4.061 ( -0.000 -0.000 7.221) 7.221 4.590 ( 0.000 0.000 -1.947) 1.947 4.797 ( 0.000 0.000 -1.204) 1.204 4.797 ( 0.000 0.000 -1.204) 1.204 5.018 ( 0.000 0.000 -8.688) 8.688 5.891 ( 0.000 0.000 -3.036) 3.036 5.891 ( 0.000 0.000 -3.036) 3.036 5.963 ( 0.000 0.000 -4.170) 4.170 6.038 ( 0.000 0.000 -9.587) 9.587 6.171 ( -0.000 -0.000 1.998) 1.998 6.171 ( -0.000 -0.000 1.998) 1.998 6.407 ( 0.000 0.000 -1.787) 1.787 6.437 ( -0.000 -0.000 3.263) 3.263 6.437 ( -0.000 -0.000 3.263) 3.263 7.165 ( -0.000 -0.000 3.859) 3.859 7.165 ( -0.000 -0.000 3.859) 3.859 7.264 ( -0.000 -0.000 11.993) 11.993 7.468 ( 0.000 0.000 -4.448) 4.448 7.771 ( 0.000 0.000 -8.512) 8.512 7.771 ( 0.000 0.000 -8.512) 8.512 7.999 ( 0.000 0.000 -0.864) 0.864 8.422 ( 0.000 0.000 -4.117) 4.117 8.514 ( -0.000 -0.000 1.628) 1.628 8.577 ( -0.000 -0.000 9.175) 9.175 8.849 ( -0.000 -0.000 4.178) 4.178 9.112 ( -0.000 -0.000 1.120) 1.120 9.112 ( -0.000 -0.000 1.120) 1.120 9.412 ( -0.000 -0.000 0.494) 0.494 9.648 ( -0.000 -0.000 1.557) 1.557======================= Grid point 189 (55/75) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 1.617 1.617 3.001) 3.772 1.939 ( 0.753 0.753 2.805) 3.000 2.307 ( 4.936 4.936 1.409) 7.121 2.360 ( 2.376 2.376 -0.175) 3.364 2.423 ( -0.927 -0.927 -2.030) 2.416 2.425 ( -2.344 -2.344 -0.464) 3.347 2.835 ( 1.053 1.053 0.259) 1.511 2.899 ( -3.037 -3.037 1.888) 4.691 3.204 ( 4.026 4.026 0.833) 5.754 3.303 ( -3.830 -3.830 -4.951) 7.339 3.915 ( 2.493 2.493 -0.552) 3.569 3.968 ( -0.282 -0.282 1.736) 1.781 4.172 ( 3.696 3.696 0.237) 5.232 4.280 ( 0.257 0.257 3.474) 3.493 4.328 ( 5.832 5.832 9.193) 12.351 4.535 ( -5.632 -5.632 1.903) 8.188 4.742 ( 0.516 0.516 -7.438) 7.474 4.806 ( -4.343 -4.343 -0.621) 6.173 5.672 ( 1.018 1.018 0.964) 1.733 5.726 ( -2.707 -2.707 1.947) 4.294 5.775 ( -0.280 -0.280 -1.109) 1.177 5.820 ( -3.319 -3.319 -3.254) 5.712 6.204 ( 0.301 0.301 -0.115) 0.440 6.206 ( -0.079 -0.079 2.249) 2.251 6.315 ( -0.743 -0.743 -2.264) 2.495 6.329 ( -1.722 -1.722 -2.593) 3.557 6.765 ( 4.068 4.068 2.411) 6.238 6.849 ( -1.690 -1.690 2.297) 3.314 6.935 ( 0.220 0.220 -2.957) 2.973 6.958 ( -1.837 -1.837 -6.861) 7.336 8.058 ( 2.748 2.748 9.768) 10.513 8.094 ( 0.002 0.002 8.178) 8.178 8.205 ( 0.184 0.184 -9.005) 9.008 8.227 ( -1.388 -1.388 -6.982) 7.253 8.564 ( 6.699 6.699 2.819) 9.884 8.660 ( 3.542 3.542 5.483) 7.427 8.712 ( 2.049 2.049 -0.939) 3.046 8.767 ( -4.328 -4.328 -2.043) 6.453 8.968 ( -1.244 -1.244 -0.096) 1.761 9.033 ( -4.143 -4.143 3.279) 6.715 9.140 ( 0.125 0.125 -1.945) 1.953 9.144 ( -0.674 -0.674 -2.899) 3.051======================= Grid point 194 (56/75) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( 21.101 -0.000 0.000) 21.101 1.339 ( 20.103 -0.000 0.000) 20.103 2.001 ( 5.166 -0.000 0.000) 5.166 2.208 ( 5.309 -0.000 0.000) 5.309 2.565 ( 0.478 -0.000 0.000) 0.478 2.577 ( -1.188 0.000 -0.000) 1.188 2.777 ( 2.348 -0.000 0.000) 2.348 2.869 ( 16.223 -0.000 0.000) 16.223 3.046 ( -0.803 0.000 -0.000) 0.803 3.296 ( 0.377 -0.000 0.000) 0.377 3.454 ( -7.605 0.000 -0.000) 7.605 3.969 ( -5.939 0.000 -0.000) 5.939 3.984 ( 10.338 -0.000 0.000) 10.338 4.217 ( -14.181 0.000 -0.000) 14.181 4.339 ( -6.875 0.000 -0.000) 6.875 4.504 ( 2.931 -0.000 0.000) 2.931 4.809 ( 1.892 -0.000 0.000) 1.892 4.979 ( 0.917 -0.000 0.000) 0.917 5.650 ( -0.193 0.000 -0.000) 0.193 5.924 ( 2.376 -0.000 0.000) 2.376 5.985 ( -2.702 0.000 -0.000) 2.702 6.062 ( 3.627 -0.000 0.000) 3.627 6.242 ( 6.986 -0.000 0.000) 6.986 6.373 ( 0.586 -0.000 0.000) 0.586 6.382 ( 3.594 -0.000 0.000) 3.594 6.589 ( 0.678 -0.000 0.000) 0.678 6.893 ( -2.132 0.000 -0.000) 2.132 7.033 ( -3.755 0.000 -0.000) 3.755 7.104 ( -3.616 0.000 -0.000) 3.616 7.185 ( -1.888 0.000 -0.000) 1.888 7.736 ( 3.486 -0.000 0.000) 3.486 7.819 ( 8.367 -0.000 0.000) 8.367 8.063 ( 0.104 -0.000 0.000) 0.104 8.175 ( -10.330 0.000 -0.000) 10.330 8.179 ( 1.370 -0.000 0.000) 1.370 8.422 ( -6.969 0.000 -0.000) 6.969 8.557 ( -3.558 0.000 -0.000) 3.558 8.659 ( 9.128 -0.000 0.000) 9.128 8.986 ( -5.037 0.000 -0.000) 5.037 9.117 ( 2.754 -0.000 0.000) 2.754 9.177 ( -0.140 0.000 -0.000) 0.140 9.550 ( -3.628 0.000 -0.000) 3.628======================= Grid point 203 (57/75) =======================q-point: (-0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 15.438 -3.751 0.000) 15.887 1.616 ( 17.042 -2.710 0.000) 17.257 2.060 ( 1.457 -3.586 0.000) 3.871 2.234 ( -0.743 -0.428 0.000) 0.857 2.516 ( -3.330 2.578 -0.000) 4.212 2.574 ( -2.748 -0.552 -0.000) 2.802 2.805 ( 3.114 0.149 0.000) 3.117 2.995 ( -2.213 4.243 -0.000) 4.785 3.170 ( 17.342 -4.925 0.000) 18.028 3.295 ( 0.745 -1.814 0.000) 1.961 3.410 ( -4.977 -6.065 0.000) 7.846 3.880 ( -7.120 -0.615 -0.000) 7.147 3.986 ( -10.551 5.331 -0.000) 11.821 4.117 ( -2.381 -1.393 0.000) 2.759 4.274 ( 5.587 1.972 0.000) 5.925 4.539 ( 1.237 -0.696 0.000) 1.420 4.840 ( 1.454 -1.040 0.000) 1.787 4.989 ( 1.767 1.917 -0.000) 2.607 5.664 ( 3.226 0.972 0.000) 3.369 5.879 ( 0.051 6.908 -0.000) 6.908 5.984 ( 5.393 2.256 0.000) 5.846 6.137 ( 3.591 -1.710 0.000) 3.978 6.286 ( 2.212 6.159 -0.000) 6.544 6.338 ( 3.429 3.101 -0.000) 4.623 6.485 ( 4.363 -2.337 0.000) 4.949 6.552 ( 0.512 4.960 -0.000) 4.987 6.882 ( -0.958 -2.125 0.000) 2.331 6.996 ( -2.894 -1.235 -0.000) 3.147 7.071 ( -2.322 -1.052 -0.000) 2.549 7.147 ( -2.219 1.318 -0.000) 2.580 7.786 ( 5.655 2.466 0.000) 6.169 7.907 ( -0.987 -5.509 0.000) 5.596 8.014 ( -4.197 3.415 -0.000) 5.411 8.107 ( -5.295 -6.208 0.000) 8.159 8.197 ( -4.012 -6.168 0.000) 7.358 8.350 ( -6.779 -2.215 -0.000) 7.131 8.545 ( 0.897 -1.461 0.000) 1.715 8.790 ( 7.532 0.719 0.000) 7.566 8.914 ( -1.488 1.310 -0.000) 1.982 9.147 ( 1.797 1.281 -0.000) 2.207 9.183 ( 0.047 -1.548 0.000) 1.548 9.458 ( -5.760 3.272 -0.000) 6.624======================= Grid point 204 (58/75) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 16.426 -0.000 4.237) 16.963 1.638 ( 17.003 -0.000 5.771) 17.955 2.045 ( 1.153 -0.000 1.294) 1.733 2.235 ( -0.511 -0.000 0.630) 0.811 2.508 ( -3.318 0.000 -5.638) 6.542 2.560 ( -2.656 0.000 0.712) 2.750 2.831 ( 1.863 -0.000 2.874) 3.425 2.984 ( 3.105 0.000 -4.724) 5.653 3.162 ( 6.626 -0.000 2.451) 7.065 3.316 ( 3.075 -0.000 3.441) 4.615 3.397 ( -2.726 -0.000 6.123) 6.702 3.884 ( -7.521 0.000 1.215) 7.619 3.942 ( -10.068 0.000 -8.479) 13.163 4.158 ( 5.156 -0.000 4.268) 6.693 4.323 ( 0.233 -0.000 4.697) 4.703 4.535 ( 0.764 -0.000 0.708) 1.041 4.786 ( 0.039 0.000 -5.987) 5.987 5.033 ( 2.920 -0.000 3.517) 4.571 5.672 ( 2.844 -0.000 0.210) 2.852 5.933 ( -1.814 0.000 -0.134) 1.819 5.991 ( 5.700 -0.000 -1.189) 5.823 6.127 ( 4.676 -0.000 0.854) 4.753 6.290 ( 3.166 0.000 -3.556) 4.761 6.387 ( 1.780 -0.000 0.556) 1.865 6.465 ( 5.090 -0.000 1.152) 5.219 6.592 ( 0.811 0.000 -0.372) 0.893 6.783 ( -0.119 0.000 -10.816) 10.817 6.931 ( -2.464 0.000 -6.424) 6.881 7.090 ( -2.475 -0.000 1.874) 3.105 7.148 ( -2.331 0.000 -1.072) 2.566 7.822 ( 2.000 -0.000 5.871) 6.202 7.877 ( 4.646 0.000 -4.484) 6.457 8.016 ( -6.510 0.000 0.181) 6.513 8.087 ( -3.378 -0.000 4.269) 5.444 8.215 ( -5.501 -0.000 6.828) 8.768 8.333 ( -6.950 0.000 -0.456) 6.965 8.548 ( -0.206 -0.000 1.756) 1.768 8.807 ( 10.090 -0.000 1.697) 10.231 8.923 ( -3.671 0.000 -0.210) 3.677 9.135 ( 1.141 0.000 -1.933) 2.245 9.179 ( 1.040 -0.000 0.202) 1.059 9.477 ( -6.034 0.000 -0.709) 6.075======================= Grid point 212 (59/75) =======================q-point: (-0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 8.368 -0.966 0.000) 8.424 1.810 ( 8.111 1.294 0.000) 8.214 2.153 ( 3.389 -4.518 0.000) 5.648 2.223 ( -0.394 1.400 -0.000) 1.454 2.443 ( -2.557 -0.235 -0.000) 2.567 2.498 ( -5.643 2.255 -0.000) 6.077 2.854 ( 2.772 -1.208 0.000) 3.024 2.911 ( -1.537 3.361 -0.000) 3.696 3.312 ( -2.705 -7.188 0.000) 7.680 3.351 ( -6.358 -5.907 0.000) 8.679 3.568 ( 12.377 -6.818 0.000) 14.131 3.781 ( -7.425 5.549 -0.000) 9.269 3.837 ( -2.545 -3.799 0.000) 4.573 3.966 ( -10.365 4.472 -0.000) 11.288 4.428 ( 11.905 -0.264 0.000) 11.908 4.536 ( 0.129 3.620 -0.000) 3.622 4.885 ( 3.124 -1.517 0.000) 3.473 4.957 ( -0.065 4.652 -0.000) 4.653 5.710 ( 5.806 1.221 0.000) 5.933 5.786 ( 0.642 7.101 -0.000) 7.130 6.054 ( 10.060 2.825 0.000) 10.449 6.159 ( 2.983 8.821 -0.000) 9.312 6.239 ( 4.573 2.039 0.000) 5.007 6.306 ( 0.689 6.006 -0.000) 6.046 6.522 ( 1.582 0.642 0.000) 1.707 6.536 ( 1.367 1.136 -0.000) 1.777 6.927 ( 0.442 -4.157 0.000) 4.180 6.976 ( -3.276 -1.128 -0.000) 3.465 7.069 ( -0.698 -1.743 0.000) 1.878 7.099 ( -2.359 0.827 -0.000) 2.500 7.813 ( 3.961 0.827 0.000) 4.047 7.896 ( -3.960 4.563 -0.000) 6.042 8.005 ( -2.902 -11.368 0.000) 11.733 8.096 ( -6.904 -2.864 -0.000) 7.475 8.243 ( -4.212 -8.166 0.000) 9.189 8.294 ( -7.425 -3.723 -0.000) 8.306 8.618 ( 4.462 -3.419 0.000) 5.621 8.739 ( -4.505 4.545 -0.000) 6.399 9.002 ( 9.737 -0.417 0.000) 9.746 9.112 ( 0.536 5.964 -0.000) 5.988 9.231 ( 0.737 -4.601 0.000) 4.660 9.330 ( -6.120 2.952 -0.000) 6.795======================= Grid point 213 (60/75) =======================q-point: (-0.33 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 10.552 -0.993 2.541) 10.899 1.855 ( 13.068 0.849 3.905) 13.666 2.096 ( 3.008 -4.290 1.185) 5.372 2.233 ( 0.454 -0.030 -0.040) 0.457 2.442 ( -4.067 1.466 -4.317) 6.109 2.504 ( -5.433 0.892 -0.884) 5.577 2.857 ( 1.009 -1.252 2.757) 3.191 2.955 ( -2.919 2.394 0.153) 3.779 3.190 ( -2.421 -3.882 -3.005) 5.473 3.318 ( -5.940 -3.358 3.428) 7.636 3.516 ( 8.656 -4.014 2.702) 9.917 3.790 ( -6.273 2.305 -5.013) 8.354 3.818 ( -3.328 -1.276 2.611) 4.419 4.108 ( -5.850 3.785 9.620) 11.879 4.433 ( 11.135 0.550 0.563) 11.162 4.547 ( -0.402 -1.169 -0.049) 1.237 4.804 ( 2.147 -0.628 -7.841) 8.154 5.056 ( 2.755 2.835 4.386) 5.905 5.722 ( 5.025 0.610 -0.073) 5.062 5.873 ( -0.765 4.860 0.086) 4.921 6.078 ( 9.318 1.961 -1.490) 9.637 6.201 ( 5.825 0.832 -0.540) 5.909 6.296 ( 2.340 4.995 -3.017) 6.287 6.381 ( 2.230 3.948 1.036) 4.651 6.507 ( 1.453 1.771 -2.621) 3.481 6.578 ( 1.178 2.545 0.497) 2.848 6.815 ( 1.614 -3.184 -6.856) 7.730 6.912 ( -1.922 -1.221 -5.938) 6.359 7.068 ( -1.524 -0.890 1.683) 2.439 7.109 ( -2.539 0.658 -1.026) 2.816 7.836 ( -0.577 1.509 -0.810) 1.807 7.909 ( -2.120 -1.295 0.694) 2.579 7.928 ( -2.594 -3.236 4.378) 6.031 8.098 ( -5.477 -5.483 3.097) 8.346 8.162 ( -4.767 -3.485 4.603) 7.487 8.252 ( -7.186 -2.275 0.084) 7.539 8.588 ( 3.802 -1.832 0.604) 4.264 8.809 ( -3.905 2.781 2.351) 5.339 8.992 ( 10.310 -0.234 -0.560) 10.328 9.157 ( 0.126 -1.359 -1.675) 2.161 9.179 ( 0.510 0.836 0.081) 0.983 9.367 ( -6.714 2.643 -0.198) 7.218======================= Grid point 214 (61/75) =======================q-point: (-0.22 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 9.455 -0.000 4.624) 10.525 1.923 ( 12.738 -0.000 4.644) 13.558 2.082 ( 2.880 -0.000 0.934) 3.027 2.233 ( -1.278 -0.000 0.590) 1.407 2.333 ( -5.252 0.000 -10.485) 11.727 2.527 ( -4.680 0.000 1.691) 4.976 2.860 ( -0.852 0.000 -1.711) 1.912 2.957 ( 1.124 0.000 -2.061) 2.348 3.176 ( -2.440 -0.000 3.982) 4.670 3.360 ( -3.386 -0.000 5.683) 6.615 3.522 ( -2.933 -0.000 1.587) 3.335 3.736 ( -8.310 0.000 -2.892) 8.799 3.882 ( 5.786 -0.000 7.007) 9.087 4.270 ( -0.433 -0.000 9.409) 9.419 4.449 ( 6.486 -0.000 -0.416) 6.499 4.527 ( -2.603 0.000 -0.367) 2.629 4.676 ( 2.574 0.000 -9.143) 9.498 5.127 ( 4.160 -0.000 2.828) 5.030 5.725 ( 4.683 -0.000 -0.065) 4.683 5.907 ( -1.549 0.000 0.108) 1.553 6.066 ( 8.073 -0.000 -2.189) 8.364 6.196 ( 5.305 -0.000 -1.722) 5.577 6.267 ( 3.111 0.000 -4.617) 5.567 6.417 ( 2.043 -0.000 -0.634) 2.139 6.487 ( 1.011 0.000 -4.550) 4.661 6.570 ( -0.350 0.000 -3.293) 3.312 6.723 ( 5.369 0.000 -2.787) 6.049 6.823 ( -1.616 0.000 -3.867) 4.191 7.062 ( -1.761 0.000 -3.117) 3.580 7.100 ( -2.393 0.000 -0.210) 2.402 7.821 ( -3.132 0.000 -0.855) 3.247 7.953 ( -0.232 -0.000 7.248) 7.252 7.979 ( -1.857 -0.000 2.665) 3.249 8.072 ( -6.580 0.000 2.538) 7.053 8.208 ( -5.317 0.000 1.538) 5.535 8.262 ( -5.673 -0.000 4.933) 7.518 8.581 ( 3.065 -0.000 0.075) 3.066 8.856 ( -4.339 0.000 1.067) 4.468 8.989 ( 10.931 -0.000 0.770) 10.958 9.103 ( -0.098 0.000 -3.212) 3.214 9.204 ( 0.241 -0.000 1.592) 1.610 9.387 ( -5.576 0.000 0.259) 5.582======================= Grid point 221 (62/75) =======================q-point: ( 0.56 -0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 3.916 3.916 0.663) 5.577 1.930 ( 4.912 4.912 4.127) 8.079 2.199 ( 0.603 0.603 -0.851) 1.205 2.230 ( 1.112 1.112 2.005) 2.548 2.407 ( -2.121 -2.121 -3.952) 4.962 2.416 ( -1.877 -1.877 -0.877) 2.795 2.890 ( -0.803 -0.803 2.663) 2.895 2.898 ( -0.458 -0.458 0.555) 0.853 3.208 ( -6.567 -6.567 -1.354) 9.385 3.290 ( -5.964 -5.964 3.087) 8.982 3.624 ( -1.392 -1.392 -5.903) 6.222 3.688 ( -0.477 -0.477 -4.881) 4.927 3.876 ( 1.126 1.126 7.749) 7.911 3.989 ( 1.109 1.109 12.017) 12.119 4.526 ( 1.265 1.265 -0.334) 1.820 4.539 ( 1.074 1.074 -0.421) 1.576 4.838 ( 2.409 2.409 -9.119) 9.735 5.044 ( 3.594 3.594 5.982) 7.850 5.776 ( 3.532 3.532 -1.117) 5.119 5.809 ( 2.621 2.621 1.180) 3.891 6.179 ( 7.001 7.001 -2.907) 10.319 6.192 ( 5.963 5.963 -1.556) 8.575 6.287 ( 3.001 3.001 -1.914) 4.656 6.345 ( 4.238 4.238 2.357) 6.441 6.504 ( 1.171 1.171 -3.158) 3.566 6.565 ( 1.297 1.297 -0.654) 1.948 6.867 ( -1.600 -1.600 -4.816) 5.321 6.902 ( -1.072 -1.072 -5.510) 5.714 7.073 ( -1.312 -1.312 -1.502) 2.387 7.075 ( -0.966 -0.966 1.720) 2.196 7.822 ( -0.402 -0.402 -4.024) 4.064 7.857 ( -0.873 -0.873 2.774) 3.036 8.028 ( -7.020 -7.020 7.173) 12.247 8.034 ( -2.898 -2.898 4.573) 6.141 8.172 ( -5.764 -5.764 -1.077) 8.222 8.213 ( -5.330 -5.330 2.233) 7.862 8.660 ( 0.905 0.905 -1.159) 1.727 8.731 ( 0.686 0.686 3.714) 3.838 9.100 ( 4.376 4.376 -0.668) 6.224 9.131 ( 1.896 1.896 0.227) 2.691 9.217 ( -2.454 -2.454 -2.588) 4.329 9.264 ( -1.064 -1.064 1.172) 1.907======================= Grid point 223 (63/75) =======================q-point: (-0.33 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 5.098 1.323 1.874) 5.591 2.033 ( 6.441 3.479 0.688) 7.352 2.168 ( 3.657 -1.807 0.428) 4.101 2.243 ( 1.627 -3.348 0.470) 3.752 2.282 ( -3.113 -1.505 -9.790) 10.383 2.429 ( -6.512 2.432 1.539) 7.120 2.849 ( -3.089 -2.811 -3.249) 5.291 2.951 ( -0.489 0.984 4.287) 4.426 3.162 ( -1.539 -2.545 4.054) 5.028 3.300 ( -5.860 -1.304 5.878) 8.402 3.517 ( -0.827 -3.501 -3.008) 4.689 3.622 ( -7.114 0.120 -3.615) 7.981 4.009 ( 9.546 0.082 9.739) 13.637 4.217 ( -1.423 4.642 12.935) 13.816 4.468 ( -2.920 -2.367 -8.868) 9.631 4.522 ( -1.439 -1.561 0.549) 2.193 4.749 ( 6.417 1.414 -6.979) 9.586 5.166 ( 4.713 3.292 3.944) 6.972 5.790 ( 5.130 0.676 -0.250) 5.181 5.866 ( -0.619 3.194 0.327) 3.270 6.172 ( 9.089 1.945 -3.930) 10.092 6.240 ( 4.258 4.633 -4.817) 7.925 6.292 ( 3.300 2.377 -2.916) 5.005 6.427 ( 2.678 2.856 0.455) 3.941 6.489 ( 1.444 1.362 -2.312) 3.048 6.545 ( -0.304 1.992 -4.296) 4.745 6.797 ( 3.058 -1.169 -4.032) 5.194 6.815 ( -1.129 -1.204 -2.608) 3.086 7.030 ( -1.532 0.705 -3.222) 3.637 7.077 ( -1.480 -0.573 -0.347) 1.624 7.767 ( -4.647 -1.496 -0.356) 4.895 7.919 ( -2.148 -0.167 6.202) 6.565 7.995 ( -4.479 -5.275 1.383) 7.056 8.048 ( -1.103 -3.992 3.151) 5.204 8.148 ( -6.192 -1.478 3.753) 7.390 8.198 ( -5.174 -2.610 4.375) 7.261 8.646 ( 4.113 -0.817 -0.401) 4.212 8.795 ( -1.929 2.187 1.316) 3.200 9.104 ( 2.322 -1.027 -1.626) 3.015 9.121 ( 1.372 -2.382 -2.358) 3.621 9.188 ( 0.910 2.128 2.459) 3.377 9.309 ( -2.350 2.524 1.923) 3.949======================= Grid point 224 (64/75) =======================q-point: (-0.22 -0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( 2.125 0.000 -3.527) 4.118 1.991 ( 1.521 0.000 -7.847) 7.993 2.079 ( -4.463 0.000 -11.270) 12.121 2.220 ( 8.249 -0.000 5.319) 9.815 2.255 ( -1.103 -0.000 3.331) 3.509 2.475 ( -6.276 0.000 1.814) 6.533 2.777 ( -3.416 0.000 -3.510) 4.898 2.986 ( 5.378 -0.000 0.304) 5.387 3.230 ( -2.509 -0.000 4.762) 5.383 3.354 ( -4.761 0.000 1.352) 4.949 3.500 ( -1.110 -0.000 6.434) 6.529 3.618 ( -8.098 0.000 3.357) 8.767 4.113 ( 9.568 -0.000 3.832) 10.306 4.251 ( -6.973 0.000 -18.510) 19.780 4.418 ( 1.306 -0.000 10.551) 10.632 4.542 ( -3.766 -0.000 5.708) 6.839 4.692 ( 7.193 -0.000 -2.984) 7.787 5.220 ( 6.031 -0.000 0.530) 6.054 5.794 ( 5.301 -0.000 0.200) 5.305 5.897 ( -1.111 -0.000 1.055) 1.532 6.133 ( 7.397 0.000 -4.053) 8.435 6.203 ( 3.358 0.000 -4.886) 5.929 6.254 ( 3.091 0.000 -4.909) 5.801 6.398 ( 3.537 0.000 -5.733) 6.736 6.463 ( 1.841 0.000 -1.446) 2.341 6.540 ( -1.175 0.000 -0.674) 1.354 6.700 ( 1.907 0.000 -6.646) 6.914 6.833 ( -0.075 -0.000 3.144) 3.145 6.987 ( 0.079 0.000 -3.700) 3.701 7.061 ( -2.137 0.000 -1.247) 2.474 7.803 ( -5.483 -0.000 6.953) 8.855 7.929 ( -4.736 0.000 -3.320) 5.784 7.993 ( -3.308 -0.000 4.077) 5.250 8.089 ( 0.513 -0.000 4.971) 4.998 8.160 ( -4.486 0.000 1.294) 4.669 8.255 ( -5.940 -0.000 4.554) 7.485 8.632 ( 4.589 -0.000 -0.707) 4.644 8.814 ( -2.174 0.000 -0.330) 2.199 9.058 ( -0.646 0.000 -2.218) 2.310 9.085 ( 1.176 0.000 -1.194) 1.676 9.260 ( 4.094 -0.000 4.540) 6.113 9.361 ( -1.474 -0.000 2.914) 3.266======================= Grid point 232 (65/75) =======================q-point: (-0.33 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 1.086 1.086 -5.554) 5.762 1.976 ( 0.221 0.221 -13.759) 13.763 2.066 ( -3.129 -3.129 -8.705) 9.765 2.230 ( 1.662 1.662 4.361) 4.954 2.340 ( 0.643 0.643 3.659) 3.770 2.383 ( -2.084 -2.084 2.575) 3.914 2.755 ( -2.722 -2.722 -2.736) 4.723 3.044 ( 3.015 3.015 4.882) 6.482 3.187 ( 0.373 0.373 -0.860) 1.009 3.317 ( -4.423 -4.423 5.726) 8.480 3.522 ( -1.017 -1.017 5.531) 5.715 3.542 ( -2.157 -2.157 4.001) 5.031 4.194 ( -4.596 -4.596 -21.139) 22.115 4.204 ( 4.865 4.865 1.477) 7.036 4.405 ( 1.926 1.926 13.491) 13.763 4.518 ( -3.446 -3.446 6.089) 7.800 4.744 ( 2.521 2.521 -4.009) 5.364 5.266 ( 3.929 3.929 1.074) 5.660 5.847 ( 2.469 2.469 0.477) 3.525 5.872 ( 0.746 0.746 0.985) 1.443 6.194 ( 4.417 4.417 -6.066) 8.708 6.222 ( 2.934 2.934 -4.969) 6.474 6.273 ( 1.939 1.939 -5.231) 5.906 6.433 ( 1.884 1.884 -4.224) 4.994 6.489 ( 0.692 0.692 -1.397) 1.706 6.501 ( 0.142 0.142 -1.155) 1.172 6.734 ( 1.562 1.562 -8.539) 8.820 6.819 ( -0.195 -0.195 2.213) 2.230 7.001 ( 0.344 0.344 0.047) 0.489 7.031 ( -1.071 -1.071 -2.529) 2.948 7.757 ( -3.936 -3.936 6.803) 8.790 7.898 ( -3.504 -3.504 -2.154) 5.403 7.974 ( -0.804 -0.804 3.856) 4.020 8.097 ( -0.916 -0.916 2.621) 2.924 8.136 ( -3.791 -3.791 3.391) 6.344 8.201 ( -2.555 -2.555 4.715) 5.940 8.675 ( 1.565 1.565 -1.197) 2.517 8.793 ( 0.556 0.556 -0.248) 0.825 9.063 ( -1.345 -1.345 -1.831) 2.641 9.073 ( -1.955 -1.955 -1.829) 3.314 9.311 ( 3.413 3.413 6.876) 8.402 9.333 ( 0.895 0.895 1.985) 2.354======================= Grid point 233 (66/75) =======================q-point: (-0.22 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -3.194 0.000 -19.491) 19.751 1.745 ( -3.327 0.000 -19.452) 19.735 2.044 ( -0.000 -0.000 1.720) 1.720 2.283 ( -0.346 -0.000 0.399) 0.529 2.372 ( 3.696 -0.000 4.454) 5.787 2.428 ( -4.178 -0.000 2.702) 4.975 2.713 ( -1.324 0.000 -1.115) 1.731 3.088 ( 8.089 -0.000 -0.984) 8.148 3.179 ( -2.590 0.000 -3.429) 4.297 3.353 ( -5.669 -0.000 8.158) 9.934 3.619 ( 2.039 -0.000 7.688) 7.954 3.654 ( -1.611 -0.000 10.614) 10.735 3.828 ( -7.285 0.000 -24.322) 25.389 4.179 ( 2.135 0.000 -7.144) 7.456 4.587 ( 3.089 -0.000 9.364) 9.861 4.621 ( -1.764 -0.000 10.611) 10.757 4.711 ( 1.135 0.000 -2.364) 2.622 5.280 ( 4.353 0.000 -3.086) 5.336 5.872 ( 4.194 -0.000 1.622) 4.497 5.907 ( -0.718 -0.000 2.248) 2.359 6.150 ( 4.587 0.000 -4.957) 6.754 6.172 ( 1.909 0.000 -4.754) 5.123 6.205 ( 0.772 0.000 -6.153) 6.202 6.399 ( 3.827 0.000 -2.274) 4.452 6.456 ( 1.104 0.000 -2.074) 2.350 6.495 ( -2.895 0.000 -2.039) 3.541 6.591 ( -0.383 0.000 -12.674) 12.680 6.869 ( 0.670 -0.000 4.302) 4.354 7.003 ( 2.396 -0.000 1.912) 3.066 7.034 ( -1.681 -0.000 1.739) 2.419 7.740 ( -5.483 0.000 -4.429) 7.048 7.955 ( 0.484 -0.000 10.767) 10.778 8.000 ( -0.850 -0.000 1.387) 1.627 8.098 ( -2.568 0.000 -2.669) 3.704 8.118 ( -4.684 0.000 1.043) 4.799 8.261 ( -1.900 -0.000 5.792) 6.096 8.659 ( 1.942 0.000 -2.576) 3.226 8.793 ( -0.488 0.000 -0.271) 0.558 9.039 ( -0.070 -0.000 0.505) 0.510 9.056 ( -2.196 0.000 0.553) 2.265 9.360 ( 1.912 -0.000 1.619) 2.506 9.437 ( 2.950 -0.000 6.772) 7.386======================= Grid point 242 (67/75) =======================q-point: (-0.22 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 0.000 0.000 -23.369) 23.369 1.422 ( 0.000 0.000 -23.369) 23.369 2.066 ( -0.000 -0.000 1.606) 1.606 2.211 ( 0.000 0.000 -11.560) 11.560 2.446 ( -0.000 -0.000 3.503) 3.503 2.446 ( -0.000 -0.000 3.503) 3.503 2.698 ( 0.000 0.000 -0.237) 0.237 3.119 ( 0.000 0.000 -2.644) 2.644 3.119 ( 0.000 0.000 -2.644) 2.644 3.388 ( 0.000 0.000 -25.513) 25.513 3.459 ( -0.000 -0.000 12.596) 12.596 3.802 ( -0.000 -0.000 11.336) 11.336 3.802 ( -0.000 -0.000 11.336) 11.336 4.058 ( 0.000 0.000 -10.416) 10.416 4.665 ( 0.000 0.000 -3.507) 3.507 4.734 ( -0.000 -0.000 6.863) 6.863 4.734 ( -0.000 -0.000 6.863) 6.863 5.242 ( 0.000 0.000 -6.682) 6.682 5.932 ( -0.000 -0.000 1.674) 1.674 5.932 ( -0.000 -0.000 1.674) 1.674 6.114 ( 0.000 0.000 -6.628) 6.628 6.135 ( 0.000 0.000 -2.124) 2.124 6.135 ( 0.000 0.000 -2.124) 2.124 6.383 ( 0.000 0.000 -14.923) 14.923 6.427 ( -0.000 -0.000 0.316) 0.316 6.431 ( 0.000 0.000 -2.419) 2.419 6.431 ( 0.000 0.000 -2.419) 2.419 6.968 ( -0.000 -0.000 8.294) 8.294 7.061 ( -0.000 -0.000 3.511) 3.511 7.061 ( -0.000 -0.000 3.511) 3.511 7.623 ( 0.000 0.000 -6.275) 6.275 8.004 ( 0.000 0.000 -7.237) 7.237 8.004 ( 0.000 0.000 -7.237) 7.237 8.007 ( -0.000 -0.000 0.310) 0.310 8.190 ( -0.000 -0.000 17.309) 17.309 8.337 ( -0.000 -0.000 6.197) 6.197 8.618 ( 0.000 0.000 -4.712) 4.712 8.788 ( -0.000 -0.000 0.404) 0.404 9.062 ( -0.000 -0.000 2.173) 2.173 9.062 ( -0.000 -0.000 2.173) 2.173 9.389 ( -0.000 -0.000 1.205) 1.205 9.552 ( -0.000 -0.000 5.707) 5.707======================= Grid point 291 (68/75) =======================q-point: (-0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 12.601 -0.000 0.000) 12.601 1.837 ( 16.675 -0.000 0.000) 16.675 2.052 ( 1.256 -0.000 0.000) 1.256 2.237 ( 1.821 -0.000 0.000) 1.821 2.478 ( -5.862 0.000 -0.000) 5.862 2.530 ( -2.696 0.000 -0.000) 2.696 2.816 ( -0.095 0.000 -0.000) 0.095 2.976 ( -4.614 0.000 -0.000) 4.614 3.185 ( -5.887 0.000 -0.000) 5.887 3.261 ( -7.525 0.000 -0.000) 7.525 3.472 ( 18.307 -0.000 0.000) 18.307 3.768 ( -6.809 0.000 -0.000) 6.809 3.895 ( -7.438 0.000 -0.000) 7.438 4.043 ( -6.133 0.000 -0.000) 6.133 4.434 ( 11.633 -0.000 0.000) 11.633 4.535 ( -0.358 0.000 -0.000) 0.358 4.860 ( 3.311 -0.000 0.000) 3.311 5.039 ( 2.732 -0.000 0.000) 2.732 5.726 ( 4.962 -0.000 0.000) 4.962 5.910 ( -1.628 0.000 -0.000) 1.628 6.105 ( 9.291 -0.000 0.000) 9.291 6.199 ( 6.978 -0.000 0.000) 6.978 6.372 ( 3.972 -0.000 0.000) 3.972 6.390 ( 0.615 -0.000 0.000) 0.615 6.538 ( 4.808 -0.000 0.000) 4.808 6.589 ( -0.618 0.000 -0.000) 0.618 6.851 ( -0.585 0.000 -0.000) 0.585 6.951 ( -2.610 0.000 -0.000) 2.610 7.038 ( -1.179 0.000 -0.000) 1.179 7.129 ( -2.143 0.000 -0.000) 2.143 7.780 ( -1.768 0.000 -0.000) 1.768 7.908 ( -4.852 0.000 -0.000) 4.852 7.974 ( 2.119 -0.000 0.000) 2.119 8.019 ( -3.111 0.000 -0.000) 3.111 8.072 ( -7.584 0.000 -0.000) 7.584 8.235 ( -7.853 0.000 -0.000) 7.853 8.570 ( 4.355 -0.000 0.000) 4.355 8.813 ( -3.199 0.000 -0.000) 3.199 8.996 ( 10.019 -0.000 0.000) 10.019 9.154 ( -0.258 0.000 -0.000) 0.258 9.188 ( 0.430 -0.000 0.000) 0.430 9.386 ( -7.455 0.000 -0.000) 7.455======================= Grid point 300 (69/75) =======================q-point: (-0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 8.742 0.540 0.000) 8.759 1.965 ( 6.344 6.103 -0.000) 8.803 2.147 ( 6.447 -6.363 0.000) 9.058 2.268 ( 2.436 3.202 -0.000) 4.024 2.396 ( -3.565 -1.116 -0.000) 3.735 2.464 ( -4.052 3.471 -0.000) 5.336 2.834 ( -0.182 -3.577 0.000) 3.582 2.900 ( -4.146 1.526 -0.000) 4.418 3.127 ( -8.775 -7.437 0.000) 11.502 3.164 ( -10.551 -4.413 -0.000) 11.436 3.688 ( 9.607 0.032 0.000) 9.608 3.753 ( 2.385 -2.156 0.000) 3.215 3.801 ( -1.814 1.080 -0.000) 2.111 3.932 ( -5.123 5.631 -0.000) 7.612 4.528 ( 2.241 -0.472 0.000) 2.290 4.543 ( -0.447 -1.096 0.000) 1.184 4.944 ( 7.816 -0.495 0.000) 7.832 5.036 ( 1.184 4.990 -0.000) 5.129 5.795 ( 5.265 0.105 0.000) 5.266 5.863 ( -0.669 3.980 -0.000) 4.036 6.229 ( 10.416 1.472 0.000) 10.520 6.296 ( 7.073 2.148 0.000) 7.391 6.349 ( 2.511 5.295 -0.000) 5.860 6.399 ( 1.594 4.643 -0.000) 4.909 6.557 ( 1.012 1.376 -0.000) 1.708 6.572 ( 0.447 1.572 -0.000) 1.634 6.876 ( 0.213 -3.290 0.000) 3.297 6.920 ( -3.071 -0.575 -0.000) 3.124 7.044 ( 0.634 -1.462 0.000) 1.593 7.086 ( -1.972 1.696 -0.000) 2.601 7.807 ( -1.666 -6.120 0.000) 6.343 7.876 ( 0.335 0.129 0.000) 0.359 7.903 ( -3.339 1.833 -0.000) 3.809 7.969 ( -7.436 -0.773 -0.000) 7.476 8.077 ( -3.536 -8.226 0.000) 8.954 8.144 ( -8.151 -2.566 -0.000) 8.545 8.654 ( 5.855 -1.518 0.000) 6.049 8.749 ( -2.302 3.793 -0.000) 4.437 9.120 ( 6.883 0.259 0.000) 6.888 9.169 ( -0.004 -0.255 0.000) 0.255 9.178 ( -0.146 -2.003 0.000) 2.008 9.275 ( -6.117 2.374 -0.000) 6.561======================= Grid point 301 (70/75) =======================q-point: (-0.33 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 8.302 -0.000 0.985) 8.360 2.054 ( 11.358 -0.000 1.517) 11.459 2.091 ( 3.128 -0.000 3.428) 4.640 2.263 ( 3.525 0.000 -3.383) 4.885 2.391 ( -4.846 0.000 -3.059) 5.731 2.442 ( -4.655 0.000 -3.664) 5.924 2.837 ( -1.500 -0.000 2.540) 2.950 2.925 ( -3.641 0.000 1.429) 3.911 3.067 ( -8.227 0.000 2.382) 8.565 3.191 ( -9.610 -0.000 6.616) 11.667 3.580 ( 4.389 0.000 -8.340) 9.425 3.723 ( -5.059 0.000 -8.560) 9.943 3.862 ( 8.867 -0.000 10.933) 14.076 4.083 ( -2.815 -0.000 11.810) 12.141 4.511 ( -1.533 0.000 -1.284) 2.000 4.526 ( 0.739 0.000 -1.732) 1.883 4.867 ( 6.963 0.000 -8.245) 10.791 5.124 ( 3.829 -0.000 5.400) 6.620 5.795 ( 5.017 -0.000 -0.108) 5.018 5.890 ( -1.123 0.000 -0.114) 1.129 6.224 ( 9.878 -0.000 -2.142) 10.108 6.303 ( 7.757 -0.000 -0.748) 7.793 6.367 ( 2.106 0.000 -3.829) 4.370 6.435 ( 2.326 -0.000 1.189) 2.612 6.538 ( -0.053 0.000 -2.705) 2.706 6.600 ( -0.433 0.000 -0.550) 0.700 6.813 ( 1.150 0.000 -3.579) 3.759 6.884 ( -0.427 0.000 -4.994) 5.012 7.046 ( -0.549 -0.000 1.654) 1.742 7.086 ( -2.023 0.000 -2.138) 2.943 7.778 ( -3.904 0.000 0.978) 4.024 7.854 ( -3.045 0.000 -0.790) 3.145 7.938 ( -0.185 -0.000 3.203) 3.208 7.975 ( -4.552 0.000 0.455) 4.575 8.074 ( -4.909 -0.000 7.547) 9.003 8.131 ( -7.928 0.000 0.945) 7.984 8.642 ( 5.665 -0.000 -0.174) 5.668 8.791 ( -1.708 -0.000 1.825) 2.499 9.118 ( 7.359 -0.000 -0.823) 7.405 9.129 ( -1.160 0.000 -1.897) 2.223 9.184 ( -1.507 0.000 0.291) 1.535 9.304 ( -4.449 0.000 1.440) 4.676======================= Grid point 309 (71/75) =======================q-point: ( 0.56 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 3.507 3.507 -1.153) 5.092 2.065 ( 4.419 4.419 4.534) 7.721 2.235 ( 1.627 1.627 -1.705) 2.864 2.256 ( 0.317 0.317 1.341) 1.414 2.373 ( -0.069 -0.069 -6.826) 6.826 2.374 ( -0.726 -0.726 -3.629) 3.771 2.840 ( -3.219 -3.219 -1.982) 4.965 2.869 ( 0.053 0.053 5.080) 5.081 3.030 ( -5.768 -5.768 5.957) 10.101 3.100 ( -7.349 -7.349 7.753) 12.966 3.632 ( 1.310 1.310 -9.772) 9.947 3.667 ( -0.779 -0.779 -9.563) 9.626 3.972 ( 4.579 4.579 11.201) 12.938 4.027 ( 1.418 1.418 13.179) 13.331 4.504 ( -2.237 -2.237 -1.938) 3.710 4.517 ( -1.784 -1.784 -3.007) 3.925 4.928 ( 3.244 3.244 -8.978) 10.082 5.150 ( 3.553 3.553 6.726) 8.395 5.850 ( 1.814 1.814 -0.410) 2.597 5.859 ( 1.150 1.150 0.249) 1.645 6.332 ( 4.127 4.127 -2.403) 6.312 6.338 ( 4.134 4.134 -2.863) 6.510 6.380 ( 3.851 3.851 -2.611) 6.040 6.442 ( 2.675 2.675 1.766) 4.175 6.527 ( -0.144 -0.144 -2.769) 2.777 6.589 ( 0.231 0.231 -0.648) 0.726 6.823 ( -1.447 -1.447 -3.764) 4.284 6.891 ( 0.559 0.559 -2.105) 2.249 7.054 ( -0.088 -0.088 -2.028) 2.032 7.058 ( -0.311 -0.311 0.096) 0.450 7.752 ( -4.535 -4.535 -5.983) 8.771 7.839 ( 0.308 0.308 3.745) 3.770 7.907 ( -1.243 -1.243 3.720) 4.114 7.979 ( -1.531 -1.531 5.715) 6.111 8.028 ( -4.610 -4.610 0.806) 6.569 8.071 ( -4.916 -4.916 3.981) 8.012 8.703 ( 1.961 1.961 -1.399) 3.106 8.765 ( 1.687 1.687 2.615) 3.539 9.129 ( -1.559 -1.559 -2.015) 2.987 9.141 ( -2.566 -2.566 -1.718) 4.015 9.197 ( 2.438 2.438 0.141) 3.451 9.263 ( 0.760 0.760 3.088) 3.269======================= Grid point 311 (72/75) =======================q-point: (-0.33 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 3.229 -0.000 0.043) 3.229 2.142 ( 4.906 0.000 -4.499) 6.656 2.200 ( -1.507 0.000 -8.961) 9.087 2.204 ( 0.096 0.000 -1.620) 1.623 2.277 ( 4.286 -0.000 -0.947) 4.389 2.362 ( -5.867 0.000 1.512) 6.059 2.770 ( -3.926 0.000 -3.049) 4.971 2.978 ( 2.659 -0.000 7.405) 7.868 3.109 ( -1.808 -0.000 9.864) 10.028 3.179 ( -8.651 -0.000 9.429) 12.796 3.516 ( 2.469 0.000 -6.057) 6.541 3.557 ( -3.227 0.000 -6.066) 6.871 4.153 ( 9.768 -0.000 11.036) 14.739 4.242 ( -0.601 -0.000 14.111) 14.124 4.398 ( -3.244 0.000 -12.298) 12.719 4.451 ( -5.432 0.000 -1.853) 5.740 4.838 ( 3.880 0.000 -7.050) 8.047 5.254 ( 3.957 -0.000 4.545) 6.026 5.852 ( 3.234 -0.000 0.058) 3.234 5.878 ( -0.576 0.000 0.143) 0.594 6.294 ( 6.309 0.000 -4.619) 7.820 6.322 ( 2.594 0.000 -5.614) 6.184 6.363 ( 3.586 0.000 -4.578) 5.815 6.476 ( 1.906 -0.000 0.127) 1.910 6.502 ( -0.783 0.000 -0.863) 1.165 6.548 ( -0.595 0.000 -4.749) 4.786 6.791 ( -0.957 -0.000 0.516) 1.087 6.849 ( 4.570 0.000 -5.347) 7.034 7.025 ( -0.523 0.000 -2.663) 2.714 7.043 ( -2.247 0.000 -0.911) 2.425 7.671 ( -5.450 0.000 0.289) 5.458 7.900 ( -1.784 0.000 0.538) 1.863 7.917 ( -0.573 -0.000 2.396) 2.464 8.016 ( 0.608 -0.000 6.105) 6.135 8.068 ( -5.150 -0.000 3.571) 6.267 8.104 ( -4.419 -0.000 6.482) 7.845 8.699 ( 3.274 -0.000 -0.904) 3.396 8.804 ( 0.584 -0.000 0.534) 0.792 9.077 ( -1.197 0.000 -2.590) 2.853 9.094 ( -3.072 0.000 -2.709) 4.096 9.248 ( 3.479 -0.000 4.717) 5.862 9.311 ( -0.173 -0.000 2.676) 2.682======================= Grid point 320 (73/75) =======================q-point: (-0.33 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 0.000 0.000 -17.344) 17.344 1.980 ( 0.000 0.000 -17.344) 17.344 2.024 ( -0.000 -0.000 1.044) 1.044 2.258 ( -0.000 -0.000 3.504) 3.504 2.349 ( -0.000 -0.000 3.327) 3.327 2.349 ( -0.000 -0.000 3.327) 3.327 2.717 ( 0.000 0.000 -1.260) 1.260 3.146 ( -0.000 -0.000 10.268) 10.268 3.185 ( -0.000 -0.000 1.453) 1.453 3.185 ( -0.000 -0.000 1.453) 1.453 3.520 ( -0.000 -0.000 5.134) 5.134 3.520 ( -0.000 -0.000 5.134) 5.134 4.125 ( 0.000 0.000 -23.088) 23.088 4.308 ( 0.000 0.000 -7.421) 7.421 4.433 ( -0.000 -0.000 14.050) 14.050 4.433 ( -0.000 -0.000 14.050) 14.050 4.780 ( 0.000 0.000 -5.197) 5.197 5.324 ( -0.000 -0.000 1.178) 1.178 5.881 ( -0.000 -0.000 0.932) 0.932 5.881 ( -0.000 -0.000 0.932) 0.932 6.262 ( 0.000 0.000 -5.888) 5.888 6.262 ( 0.000 0.000 -5.888) 5.888 6.302 ( 0.000 0.000 -6.901) 6.901 6.468 ( 0.000 0.000 -4.750) 4.750 6.491 ( 0.000 0.000 -0.832) 0.832 6.491 ( 0.000 0.000 -0.832) 0.832 6.774 ( 0.000 0.000 -11.783) 11.783 6.818 ( -0.000 -0.000 3.525) 3.525 7.005 ( 0.000 0.000 -0.078) 0.078 7.005 ( 0.000 0.000 -0.078) 0.078 7.693 ( -0.000 -0.000 6.168) 6.168 7.852 ( -0.000 -0.000 0.108) 0.108 7.971 ( -0.000 -0.000 2.583) 2.583 8.082 ( -0.000 -0.000 2.319) 2.319 8.082 ( -0.000 -0.000 2.319) 2.319 8.159 ( -0.000 -0.000 6.618) 6.618 8.703 ( 0.000 0.000 -1.669) 1.669 8.806 ( 0.000 0.000 -1.062) 1.062 9.041 ( 0.000 0.000 -1.258) 1.258 9.041 ( 0.000 0.000 -1.258) 1.258 9.345 ( -0.000 -0.000 2.078) 2.078 9.359 ( -0.000 -0.000 7.474) 7.474======================= Grid point 387 (74/75) =======================q-point: (-0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 6.752 -0.000 0.000) 6.752 2.071 ( 0.188 -0.000 0.000) 0.188 2.190 ( 8.100 -0.000 0.000) 8.100 2.298 ( -6.148 0.000 -0.000) 6.148 2.388 ( 7.701 -0.000 0.000) 7.701 2.465 ( -1.492 0.000 -0.000) 1.492 2.797 ( 0.941 -0.000 0.000) 0.941 2.876 ( -1.814 0.000 -0.000) 1.814 2.919 ( -10.413 0.000 -0.000) 10.413 2.976 ( -11.115 0.000 -0.000) 11.115 3.741 ( 2.155 -0.000 0.000) 2.155 3.773 ( -2.186 0.000 -0.000) 2.186 3.863 ( 9.181 -0.000 0.000) 9.181 3.939 ( -1.518 0.000 -0.000) 1.518 4.506 ( -1.202 0.000 -0.000) 1.202 4.520 ( -2.539 0.000 -0.000) 2.539 5.051 ( 6.591 -0.000 0.000) 6.591 5.091 ( 0.957 -0.000 0.000) 0.957 5.853 ( 3.128 -0.000 0.000) 3.128 5.879 ( -0.616 0.000 -0.000) 0.616 6.359 ( 6.966 -0.000 0.000) 6.966 6.407 ( 0.500 -0.000 0.000) 0.500 6.415 ( 7.423 -0.000 0.000) 7.423 6.464 ( 2.300 -0.000 0.000) 2.300 6.560 ( -1.362 0.000 -0.000) 1.362 6.573 ( -1.816 0.000 -0.000) 1.816 6.860 ( 0.659 -0.000 0.000) 0.659 6.881 ( -2.134 0.000 -0.000) 2.134 7.055 ( 2.151 -0.000 0.000) 2.151 7.082 ( -1.077 0.000 -0.000) 1.077 7.758 ( 1.716 -0.000 0.000) 1.716 7.833 ( -7.767 0.000 -0.000) 7.767 7.881 ( 1.215 -0.000 0.000) 1.215 7.930 ( -2.588 0.000 -0.000) 2.588 7.953 ( -1.849 0.000 -0.000) 1.849 8.016 ( -7.628 0.000 -0.000) 7.628 8.724 ( 5.115 -0.000 0.000) 5.115 8.764 ( -0.292 0.000 -0.000) 0.292 9.122 ( -1.396 0.000 -0.000) 1.396 9.142 ( -3.770 0.000 -0.000) 3.770 9.212 ( 4.462 -0.000 0.000) 4.462 9.249 ( -1.311 0.000 -0.000) 1.311======================= Grid point 397 (75/75) =======================q-point: (-0.44 -0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.55e-05 8.55e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 0.000 0.000 -2.006) 2.006 2.132 ( -0.000 -0.000 4.833) 4.833 2.254 ( -0.000 -0.000 0.485) 0.485 2.254 ( -0.000 -0.000 0.485) 0.485 2.382 ( 0.000 0.000 -8.855) 8.855 2.382 ( 0.000 0.000 -8.855) 8.855 2.778 ( 0.000 0.000 -3.413) 3.413 2.913 ( -0.000 -0.000 6.736) 6.736 2.945 ( -0.000 -0.000 10.186) 10.186 2.945 ( -0.000 -0.000 10.186) 10.186 3.656 ( 0.000 0.000 -10.156) 10.156 3.656 ( 0.000 0.000 -10.156) 10.156 4.050 ( -0.000 -0.000 12.918) 12.918 4.050 ( -0.000 -0.000 12.918) 12.918 4.459 ( 0.000 0.000 -3.844) 3.844 4.486 ( 0.000 0.000 -3.768) 3.768 4.976 ( 0.000 0.000 -9.039) 9.039 5.203 ( -0.000 -0.000 6.950) 6.950 5.874 ( 0.000 0.000 -0.057) 0.057 5.874 ( 0.000 0.000 -0.057) 0.057 6.394 ( 0.000 0.000 -2.617) 2.617 6.394 ( 0.000 0.000 -2.617) 2.617 6.477 ( 0.000 0.000 -5.811) 5.811 6.481 ( -0.000 -0.000 0.392) 0.392 6.481 ( -0.000 -0.000 0.392) 0.392 6.584 ( -0.000 -0.000 0.340) 0.340 6.801 ( 0.000 0.000 -3.909) 3.909 6.909 ( -0.000 -0.000 1.478) 1.478 7.056 ( 0.000 0.000 -2.362) 2.362 7.056 ( 0.000 0.000 -2.362) 2.362 7.673 ( 0.000 0.000 -6.377) 6.377 7.865 ( -0.000 -0.000 5.476) 5.476 7.912 ( 0.000 0.000 -1.837) 1.837 7.946 ( -0.000 -0.000 4.844) 4.844 7.946 ( -0.000 -0.000 4.844) 4.844 7.990 ( -0.000 -0.000 5.109) 5.109 8.737 ( 0.000 0.000 -1.490) 1.490 8.796 ( -0.000 -0.000 2.168) 2.168 9.098 ( 0.000 0.000 -1.784) 1.784 9.098 ( 0.000 0.000 -1.784) 1.784 9.232 ( -0.000 -0.000 0.817) 0.817 9.276 ( -0.000 -0.000 2.779) 2.779=================== 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 3/30618 10.0 1017.642 1017.642 1042.781 -0.000 -0.000 -0.000 3/30618 20.0 143.814 143.814 163.049 -0.000 -0.000 -0.000 3/30618 30.0 53.834 53.834 64.558 -0.000 -0.000 -0.000 3/30618 40.0 28.421 28.421 34.831 -0.000 -0.000 -0.000 3/30618 50.0 17.915 17.915 22.204 -0.000 -0.000 -0.000 3/30618 60.0 12.575 12.575 15.702 -0.000 -0.000 -0.000 3/30618 70.0 9.493 9.493 11.921 -0.000 -0.000 -0.000 3/30618 80.0 7.550 7.550 9.525 -0.000 -0.000 -0.000 3/30618 90.0 6.241 6.241 7.903 -0.000 -0.000 -0.000 3/30618 100.0 5.312 5.312 6.746 -0.000 -0.000 -0.000 3/30618 110.0 4.623 4.623 5.886 -0.000 -0.000 -0.000 3/30618 120.0 4.094 4.094 5.224 -0.000 -0.000 -0.000 3/30618 130.0 3.677 3.677 4.699 -0.000 -0.000 -0.000 3/30618 140.0 3.339 3.339 4.273 -0.000 -0.000 -0.000 3/30618 150.0 3.061 3.061 3.921 -0.000 -0.000 -0.000 3/30618 160.0 2.827 2.827 3.625 -0.000 -0.000 -0.000 3/30618 170.0 2.627 2.627 3.372 -0.000 -0.000 -0.000 3/30618 180.0 2.455 2.455 3.153 -0.000 -0.000 -0.000 3/30618 190.0 2.305 2.305 2.962 -0.000 -0.000 -0.000 3/30618 200.0 2.173 2.173 2.794 -0.000 -0.000 -0.000 3/30618 210.0 2.056 2.056 2.645 -0.000 -0.000 -0.000 3/30618 220.0 1.952 1.952 2.511 -0.000 -0.000 -0.000 3/30618 230.0 1.858 1.858 2.391 -0.000 -0.000 -0.000 3/30618 240.0 1.773 1.773 2.282 -0.000 -0.000 -0.000 3/30618 250.0 1.695 1.695 2.183 -0.000 -0.000 -0.000 3/30618 260.0 1.624 1.624 2.092 -0.000 -0.000 -0.000 3/30618 270.0 1.560 1.560 2.009 -0.000 -0.000 -0.000 3/30618 280.0 1.500 1.500 1.932 -0.000 -0.000 -0.000 3/30618 290.0 1.445 1.445 1.862 -0.000 -0.000 -0.000 3/30618 300.0 1.393 1.393 1.796 -0.000 -0.000 -0.000 3/30618 310.0 1.346 1.346 1.735 -0.000 -0.000 -0.000 3/30618 320.0 1.302 1.302 1.678 -0.000 -0.000 -0.000 3/30618 330.0 1.260 1.260 1.624 -0.000 -0.000 -0.000 3/30618 340.0 1.221 1.221 1.574 -0.000 -0.000 -0.000 3/30618 350.0 1.185 1.185 1.527 -0.000 -0.000 -0.000 3/30618 360.0 1.150 1.150 1.483 -0.000 -0.000 -0.000 3/30618 370.0 1.118 1.118 1.442 -0.000 -0.000 -0.000 3/30618 380.0 1.087 1.087 1.402 -0.000 -0.000 -0.000 3/30618 390.0 1.059 1.059 1.365 -0.000 -0.000 -0.000 3/30618 400.0 1.031 1.031 1.330 -0.000 -0.000 -0.000 3/30618 410.0 1.005 1.005 1.297 -0.000 -0.000 -0.000 3/30618 420.0 0.981 0.981 1.265 -0.000 -0.000 -0.000 3/30618 430.0 0.957 0.957 1.235 -0.000 -0.000 -0.000 3/30618 440.0 0.935 0.935 1.206 -0.000 -0.000 -0.000 3/30618 450.0 0.913 0.913 1.178 -0.000 -0.000 -0.000 3/30618 460.0 0.893 0.893 1.152 -0.000 -0.000 -0.000 3/30618 470.0 0.874 0.874 1.127 -0.000 -0.000 -0.000 3/30618 480.0 0.855 0.855 1.103 -0.000 -0.000 -0.000 3/30618 490.0 0.837 0.837 1.080 -0.000 -0.000 -0.000 3/30618 500.0 0.820 0.820 1.058 -0.000 -0.000 -0.000 3/30618 510.0 0.804 0.804 1.037 -0.000 -0.000 -0.000 3/30618 520.0 0.788 0.788 1.016 -0.000 -0.000 -0.000 3/30618 530.0 0.773 0.773 0.997 -0.000 -0.000 -0.000 3/30618 540.0 0.758 0.758 0.978 -0.000 -0.000 -0.000 3/30618 550.0 0.744 0.744 0.960 -0.000 -0.000 -0.000 3/30618 560.0 0.731 0.731 0.943 -0.000 -0.000 -0.000 3/30618 570.0 0.718 0.718 0.926 -0.000 -0.000 -0.000 3/30618 580.0 0.705 0.705 0.910 -0.000 -0.000 -0.000 3/30618 590.0 0.693 0.693 0.894 -0.000 -0.000 -0.000 3/30618 600.0 0.681 0.681 0.879 -0.000 -0.000 -0.000 3/30618 610.0 0.670 0.670 0.864 -0.000 -0.000 -0.000 3/30618 620.0 0.659 0.659 0.850 -0.000 -0.000 -0.000 3/30618 630.0 0.648 0.648 0.837 -0.000 -0.000 -0.000 3/30618 640.0 0.638 0.638 0.823 -0.000 -0.000 -0.000 3/30618 650.0 0.628 0.628 0.811 -0.000 -0.000 -0.000 3/30618 660.0 0.618 0.618 0.798 -0.000 -0.000 -0.000 3/30618 670.0 0.609 0.609 0.786 -0.000 -0.000 -0.000 3/30618 680.0 0.600 0.600 0.774 -0.000 -0.000 -0.000 3/30618 690.0 0.591 0.591 0.763 -0.000 -0.000 -0.000 3/30618 700.0 0.583 0.583 0.752 -0.000 -0.000 -0.000 3/30618 710.0 0.574 0.574 0.741 -0.000 -0.000 -0.000 3/30618 720.0 0.566 0.566 0.731 -0.000 -0.000 -0.000 3/30618 730.0 0.559 0.559 0.721 -0.000 -0.000 -0.000 3/30618 740.0 0.551 0.551 0.711 -0.000 -0.000 -0.000 3/30618 750.0 0.544 0.544 0.701 -0.000 -0.000 -0.000 3/30618 760.0 0.536 0.536 0.692 -0.000 -0.000 -0.000 3/30618 770.0 0.529 0.529 0.683 -0.000 -0.000 -0.000 3/30618 780.0 0.522 0.522 0.674 -0.000 -0.000 -0.000 3/30618 790.0 0.516 0.516 0.666 -0.000 -0.000 -0.000 3/30618 800.0 0.509 0.509 0.657 -0.000 -0.000 -0.000 3/30618 810.0 0.503 0.503 0.649 -0.000 -0.000 -0.000 3/30618 820.0 0.497 0.497 0.641 -0.000 -0.000 -0.000 3/30618 830.0 0.491 0.491 0.633 -0.000 -0.000 -0.000 3/30618 840.0 0.485 0.485 0.626 -0.000 -0.000 -0.000 3/30618 850.0 0.479 0.479 0.618 -0.000 -0.000 -0.000 3/30618 860.0 0.473 0.473 0.611 -0.000 -0.000 -0.000 3/30618 870.0 0.468 0.468 0.604 -0.000 -0.000 -0.000 3/30618 880.0 0.463 0.463 0.597 -0.000 -0.000 -0.000 3/30618 890.0 0.457 0.457 0.590 -0.000 -0.000 -0.000 3/30618 900.0 0.452 0.452 0.584 -0.000 -0.000 -0.000 3/30618 910.0 0.447 0.447 0.577 -0.000 -0.000 -0.000 3/30618 920.0 0.442 0.442 0.571 -0.000 -0.000 -0.000 3/30618 930.0 0.438 0.438 0.565 -0.000 -0.000 -0.000 3/30618 940.0 0.433 0.433 0.559 -0.000 -0.000 -0.000 3/30618 950.0 0.428 0.428 0.553 -0.000 -0.000 -0.000 3/30618 960.0 0.424 0.424 0.547 -0.000 -0.000 -0.000 3/30618 970.0 0.420 0.420 0.541 -0.000 -0.000 -0.000 3/30618 980.0 0.415 0.415 0.536 -0.000 -0.000 -0.000 3/30618 990.0 0.411 0.411 0.530 -0.000 -0.000 -0.000 3/30618 1000.0 0.407 0.407 0.525 -0.000 -0.000 -0.000 3/30618Thermal conductivity related properties were written into "kappa-m999.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:37:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|