# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8c98faba-3c9c-4350-a6d4-77132d197fbc/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 Zn4P6SN12 / I-43m (217) / materials id 15833](https://mdr.nims.go.jp/datasets/14a4b61a-af2e-4699-834a-59a0f2ad592c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:44:34]-------------------------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 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-43m (217)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a -4.086971000000000 4.086971000000000 4.086971000000000 b 4.086971000000000 -4.086971000000000 4.086971000000000 c 4.086971000000000 4.086971000000000 -4.086971000000000Atomic positions (fractional): *1 N 0.00000000000000 0.26878482206753 0.54848337211333 14.007 2 N 0.27969855004580 0.73121517793247 0.73121517793247 14.007 3 N 0.45151662788667 0.72030144995420 0.45151662788667 14.007 4 N 0.45151662788667 0.45151662788667 0.72030144995420 14.007 5 N 0.54848337211333 0.00000000000000 0.26878482206753 14.007 6 N 0.73121517793247 0.27969855004580 0.73121517793247 14.007 7 N 0.73121517793247 0.73121517793247 0.27969855004580 14.007 8 N 0.54848337211333 0.26878482206753 0.00000000000000 14.007 9 N 0.00000000000000 0.54848337211333 0.26878482206753 14.007 10 N 0.26878482206753 0.54848337211333 0.00000000000000 14.007 11 N 0.72030144995420 0.45151662788667 0.45151662788667 14.007 12 N 0.26878482206753 0.00000000000000 0.54848337211333 14.007 *13 P 0.50000000000000 0.75000000000000 0.25000000000000 30.974 14 P 0.50000000000000 0.25000000000000 0.75000000000000 30.974 15 P 0.75000000000000 0.50000000000000 0.25000000000000 30.974 16 P 0.25000000000000 0.50000000000000 0.75000000000000 30.974 17 P 0.75000000000000 0.25000000000000 0.50000000000000 30.974 18 P 0.25000000000000 0.75000000000000 0.50000000000000 30.974 *19 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *20 Zn 0.00000000000000 0.33039937585743 0.00000000000000 65.380 21 Zn 0.33039937585743 0.00000000000000 0.00000000000000 65.380 22 Zn 0.00000000000000 0.00000000000000 0.33039937585743 65.380 23 Zn 0.66960062414257 0.66960062414257 0.66960062414257 65.380-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.173942000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.173942000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.173942000000000Atomic positions (fractional): *1 N 0.40863409709043 0.13984927502290 0.86015072497710 14.007 > 1 2 N 0.59136590290957 0.13984927502290 0.13984927502290 14.007 > 2 3 N 0.86015072497710 0.59136590290957 0.86015072497710 14.007 > 3 4 N 0.36015072497710 0.36015072497710 0.09136590290957 14.007 > 4 5 N 0.36015072497710 0.90863409709043 0.63984927502290 14.007 > 5 6 N 0.13984927502290 0.59136590290957 0.13984927502290 14.007 > 6 7 N 0.13984927502290 0.13984927502290 0.59136590290957 14.007 > 7 8 N 0.86015072497710 0.13984927502290 0.40863409709043 14.007 > 8 9 N 0.90863409709043 0.36015072497710 0.63984927502290 14.007 > 9 10 N 0.13984927502290 0.86015072497710 0.40863409709043 14.007 > 10 11 N 0.59136590290957 0.86015072497710 0.86015072497710 14.007 > 11 12 N 0.13984927502290 0.40863409709043 0.86015072497710 14.007 > 12 13 N 0.90863409709043 0.63984927502290 0.36015072497710 14.007 > 1 14 N 0.09136590290957 0.63984927502290 0.63984927502290 14.007 > 2 15 N 0.36015072497710 0.09136590290957 0.36015072497710 14.007 > 3 16 N 0.86015072497710 0.86015072497710 0.59136590290957 14.007 > 4 17 N 0.86015072497710 0.40863409709043 0.13984927502290 14.007 > 5 18 N 0.63984927502290 0.09136590290957 0.63984927502290 14.007 > 6 19 N 0.63984927502290 0.63984927502290 0.09136590290957 14.007 > 7 20 N 0.36015072497710 0.63984927502290 0.90863409709043 14.007 > 8 21 N 0.40863409709043 0.86015072497710 0.13984927502290 14.007 > 9 22 N 0.63984927502290 0.36015072497710 0.90863409709043 14.007 > 10 23 N 0.09136590290957 0.36015072497710 0.36015072497710 14.007 > 11 24 N 0.63984927502290 0.90863409709043 0.36015072497710 14.007 > 12 *25 P 0.25000000000000 0.00000000000000 0.50000000000000 30.974 > 13 26 P 0.25000000000000 0.50000000000000 0.00000000000000 30.974 > 14 27 P 0.00000000000000 0.25000000000000 0.50000000000000 30.974 > 15 28 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 16 29 P 0.50000000000000 0.00000000000000 0.75000000000000 30.974 > 17 30 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 18 31 P 0.75000000000000 0.50000000000000 0.00000000000000 30.974 > 13 32 P 0.75000000000000 0.00000000000000 0.50000000000000 30.974 > 14 33 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 15 34 P 0.00000000000000 0.75000000000000 0.50000000000000 30.974 > 16 35 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 17 36 P 0.50000000000000 0.00000000000000 0.25000000000000 30.974 > 18 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 19 38 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 19 *39 Zn 0.66519968792872 0.33480031207128 0.66519968792872 65.380 > 20 40 Zn 0.33480031207128 0.66519968792872 0.66519968792872 65.380 > 21 41 Zn 0.16519968792872 0.16519968792872 0.83480031207128 65.380 > 22 42 Zn 0.33480031207128 0.33480031207128 0.33480031207128 65.380 > 23 43 Zn 0.16519968792872 0.83480031207128 0.16519968792872 65.380 > 20 44 Zn 0.83480031207128 0.16519968792872 0.16519968792872 65.380 > 21 45 Zn 0.66519968792872 0.66519968792872 0.33480031207128 65.380 > 22 46 Zn 0.83480031207128 0.83480031207128 0.83480031207128 65.380 > 23-------------------------------- super cell --------------------------------Lattice vectors: a 8.173942000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.173942000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.173942000000000Atomic positions (fractional): *1 N 0.40863409709043 0.13984927502290 0.86015072497710 14.007 > 1 2 N 0.59136590290957 0.13984927502290 0.13984927502290 14.007 > 2 3 N 0.86015072497710 0.59136590290957 0.86015072497710 14.007 > 3 4 N 0.36015072497710 0.36015072497710 0.09136590290957 14.007 > 4 5 N 0.36015072497710 0.90863409709043 0.63984927502290 14.007 > 5 6 N 0.13984927502290 0.59136590290957 0.13984927502290 14.007 > 6 7 N 0.13984927502290 0.13984927502290 0.59136590290957 14.007 > 7 8 N 0.86015072497710 0.13984927502290 0.40863409709043 14.007 > 8 9 N 0.90863409709043 0.36015072497710 0.63984927502290 14.007 > 9 10 N 0.13984927502290 0.86015072497710 0.40863409709043 14.007 > 10 11 N 0.59136590290957 0.86015072497710 0.86015072497710 14.007 > 11 12 N 0.13984927502290 0.40863409709043 0.86015072497710 14.007 > 12 13 N 0.90863409709043 0.63984927502290 0.36015072497710 14.007 > 1 14 N 0.09136590290957 0.63984927502290 0.63984927502290 14.007 > 2 15 N 0.36015072497710 0.09136590290957 0.36015072497710 14.007 > 3 16 N 0.86015072497710 0.86015072497710 0.59136590290957 14.007 > 4 17 N 0.86015072497710 0.40863409709043 0.13984927502290 14.007 > 5 18 N 0.63984927502290 0.09136590290957 0.63984927502290 14.007 > 6 19 N 0.63984927502290 0.63984927502290 0.09136590290957 14.007 > 7 20 N 0.36015072497710 0.63984927502290 0.90863409709043 14.007 > 8 21 N 0.40863409709043 0.86015072497710 0.13984927502290 14.007 > 9 22 N 0.63984927502290 0.36015072497710 0.90863409709043 14.007 > 10 23 N 0.09136590290957 0.36015072497710 0.36015072497710 14.007 > 11 24 N 0.63984927502290 0.90863409709043 0.36015072497710 14.007 > 12 *25 P 0.25000000000000 0.00000000000000 0.50000000000000 30.974 > 13 26 P 0.25000000000000 0.50000000000000 0.00000000000000 30.974 > 14 27 P 0.00000000000000 0.25000000000000 0.50000000000000 30.974 > 15 28 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 16 29 P 0.50000000000000 0.00000000000000 0.75000000000000 30.974 > 17 30 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 18 31 P 0.75000000000000 0.50000000000000 0.00000000000000 30.974 > 13 32 P 0.75000000000000 0.00000000000000 0.50000000000000 30.974 > 14 33 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 15 34 P 0.00000000000000 0.75000000000000 0.50000000000000 30.974 > 16 35 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 17 36 P 0.50000000000000 0.00000000000000 0.25000000000000 30.974 > 18 *37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 19 38 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 19 *39 Zn 0.66519968792872 0.33480031207128 0.66519968792872 65.380 > 20 40 Zn 0.33480031207128 0.66519968792872 0.66519968792872 65.380 > 21 41 Zn 0.16519968792872 0.16519968792872 0.83480031207128 65.380 > 22 42 Zn 0.33480031207128 0.33480031207128 0.33480031207128 65.380 > 23 43 Zn 0.16519968792872 0.83480031207128 0.16519968792872 65.380 > 20 44 Zn 0.83480031207128 0.16519968792872 0.16519968792872 65.380 > 21 45 Zn 0.66519968792872 0.66519968792872 0.33480031207128 65.380 > 22 46 Zn 0.83480031207128 0.83480031207128 0.83480031207128 65.380 > 23----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5399975 0.0000000 0.0000000 0.0000000 4.5399975 0.0000000 0.0000000 0.0000000 4.5399975-------------------------- Born effective charges -------------------------- 1 N -2.3314850 0.0683626 -0.0683626 0.1951246 -2.5618825 -1.0267400 -0.1951246 -1.0267400 -2.5618825 2 N -2.3314850 -0.0683626 -0.0683626 -0.1951246 -2.5618825 1.0267400 -0.1951246 1.0267400 -2.5618825 3 N -2.5618825 0.1951246 1.0267400 0.0683626 -2.3314850 0.0683626 1.0267400 0.1951246 -2.5618825 4 N -2.5618825 1.0267400 0.1951246 1.0267400 -2.5618825 0.1951246 0.0683626 0.0683626 -2.3314850 5 N -2.5618825 -0.1951246 -1.0267400 -0.0683626 -2.3314850 0.0683626 -1.0267400 0.1951246 -2.5618825 6 N -2.5618825 -0.1951246 1.0267400 -0.0683626 -2.3314850 -0.0683626 1.0267400 -0.1951246 -2.5618825 7 N -2.5618825 1.0267400 -0.1951246 1.0267400 -2.5618825 -0.1951246 -0.0683626 -0.0683626 -2.3314850 8 N -2.5618825 -1.0267400 -0.1951246 -1.0267400 -2.5618825 0.1951246 -0.0683626 0.0683626 -2.3314850 9 N -2.3314850 -0.0683626 0.0683626 -0.1951246 -2.5618825 -1.0267400 0.1951246 -1.0267400 -2.5618825 10 N -2.5618825 -1.0267400 0.1951246 -1.0267400 -2.5618825 -0.1951246 0.0683626 -0.0683626 -2.3314850 11 N -2.3314850 0.0683626 0.0683626 0.1951246 -2.5618825 1.0267400 0.1951246 1.0267400 -2.5618825 12 N -2.5618825 0.1951246 -1.0267400 0.0683626 -2.3314850 -0.0683626 -1.0267400 -0.1951246 -2.5618825 13 P 4.2422539 0.0000000 0.0000000 -0.0000000 3.6337809 0.2449220 0.0000000 -0.2449220 3.6337809 14 P 4.2422539 0.0000000 0.0000000 -0.0000000 3.6337809 -0.2449220 0.0000000 0.2449220 3.6337809 15 P 3.6337809 0.0000000 0.2449220 -0.0000000 4.2422539 -0.0000000 -0.2449220 0.0000000 3.6337809 16 P 3.6337809 0.0000000 -0.2449220 -0.0000000 4.2422539 -0.0000000 0.2449220 0.0000000 3.6337809 17 P 3.6337809 0.2449220 0.0000000 -0.2449220 3.6337809 -0.0000000 0.0000000 0.0000000 4.2422539 18 P 3.6337809 -0.2449220 0.0000000 0.2449220 3.6337809 -0.0000000 0.0000000 0.0000000 4.2422539 19 S -1.4368212 0.0000000 0.0000000 -0.0000000 -1.4368212 -0.0000000 0.0000000 0.0000000 -1.4368212 20 Zn 2.0595474 -0.1196734 0.1196734 -0.1196734 2.0595474 -0.1196734 0.1196734 -0.1196734 2.0595474 21 Zn 2.0595474 -0.1196734 -0.1196734 -0.1196734 2.0595474 0.1196734 -0.1196734 0.1196734 2.0595474 22 Zn 2.0595474 0.1196734 -0.1196734 0.1196734 2.0595474 -0.1196734 -0.1196734 -0.1196734 2.0595474 23 Zn 2.0595474 0.1196734 0.1196734 0.1196734 2.0595474 0.1196734 0.1196734 0.1196734 2.0595474----------------------------------------------------------------------------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: 138/138Permutation basis: 5613/5613Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 235Number of blocks in projector: 235Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 2--- Eigsh_solver_block: 1 / 2 ---Block_size: 140Use standard eigh solver.--- Eigsh_solver_block: 2 / 2 ---Block_size: 95Use standard eigh solver.Tree of FC basis block matrices:- (235, 224), data: False|-- (95, 89), data: True|-- (140, 135), data: True-----Solver_atoms: 1 -- 46 / 46Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 160 - Time: 0.049Solver_block: 160 / 160 - Time: 0.037Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.088--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 138/138Permutation basis: 5613/5613Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 235Number of blocks in projector: 235Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 2--- Eigsh_solver_block: 1 / 2 ---Block_size: 140Use standard eigh solver.--- Eigsh_solver_block: 2 / 2 ---Block_size: 95Use standard eigh solver.Tree of FC basis block matrices:- (235, 224), data: False|-- (95, 89), data: True|-- (140, 135), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 01:44:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:44:37]-------------------------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 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-43m (217)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.086971000000000 4.086971000000000 4.086971000000000 b 4.086971000000000 -4.086971000000000 4.086971000000000 c 4.086971000000000 4.086971000000000 -4.086971000000000Atomic positions (fractional): 1 N 0.00000000000000 0.26878482206753 0.54848337211333 14.007 2 N 0.27969855004580 0.73121517793247 0.73121517793247 14.007 3 N 0.45151662788667 0.72030144995420 0.45151662788667 14.007 4 N 0.45151662788667 0.45151662788667 0.72030144995420 14.007 5 N 0.54848337211333 0.00000000000000 0.26878482206753 14.007 6 N 0.73121517793247 0.27969855004580 0.73121517793247 14.007 7 N 0.73121517793247 0.73121517793247 0.27969855004580 14.007 8 N 0.54848337211333 0.26878482206753 0.00000000000000 14.007 9 N 0.00000000000000 0.54848337211333 0.26878482206753 14.007 10 N 0.26878482206753 0.54848337211333 0.00000000000000 14.007 11 N 0.72030144995420 0.45151662788667 0.45151662788667 14.007 12 N 0.26878482206753 0.00000000000000 0.54848337211333 14.007 13 P 0.50000000000000 0.75000000000000 0.25000000000000 30.974 14 P 0.50000000000000 0.25000000000000 0.75000000000000 30.974 15 P 0.75000000000000 0.50000000000000 0.25000000000000 30.974 16 P 0.25000000000000 0.50000000000000 0.75000000000000 30.974 17 P 0.75000000000000 0.25000000000000 0.50000000000000 30.974 18 P 0.25000000000000 0.75000000000000 0.50000000000000 30.974 19 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 20 Zn 0.00000000000000 0.33039937585743 0.00000000000000 65.380 21 Zn 0.33039937585743 0.00000000000000 0.00000000000000 65.380 22 Zn 0.00000000000000 0.00000000000000 0.33039937585743 65.380 23 Zn 0.66960062414257 0.66960062414257 0.66960062414257 65.380-------------------------------- supercell ---------------------------------Lattice vectors: a 8.173942000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.173942000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.173942000000000Atomic positions (fractional): 1 N 0.40863409709043 0.13984927502290 0.86015072497710 14.007 > 1 2 N 0.59136590290957 0.13984927502290 0.13984927502290 14.007 > 2 3 N 0.86015072497710 0.59136590290957 0.86015072497710 14.007 > 3 4 N 0.36015072497710 0.36015072497710 0.09136590290957 14.007 > 4 5 N 0.36015072497710 0.90863409709043 0.63984927502290 14.007 > 5 6 N 0.13984927502290 0.59136590290957 0.13984927502290 14.007 > 6 7 N 0.13984927502290 0.13984927502290 0.59136590290957 14.007 > 7 8 N 0.86015072497710 0.13984927502290 0.40863409709043 14.007 > 8 9 N 0.90863409709043 0.36015072497710 0.63984927502290 14.007 > 9 10 N 0.13984927502290 0.86015072497710 0.40863409709043 14.007 > 10 11 N 0.59136590290957 0.86015072497710 0.86015072497710 14.007 > 11 12 N 0.13984927502290 0.40863409709043 0.86015072497710 14.007 > 12 13 N 0.90863409709043 0.63984927502290 0.36015072497710 14.007 > 1 14 N 0.09136590290957 0.63984927502290 0.63984927502290 14.007 > 2 15 N 0.36015072497710 0.09136590290957 0.36015072497710 14.007 > 3 16 N 0.86015072497710 0.86015072497710 0.59136590290957 14.007 > 4 17 N 0.86015072497710 0.40863409709043 0.13984927502290 14.007 > 5 18 N 0.63984927502290 0.09136590290957 0.63984927502290 14.007 > 6 19 N 0.63984927502290 0.63984927502290 0.09136590290957 14.007 > 7 20 N 0.36015072497710 0.63984927502290 0.90863409709043 14.007 > 8 21 N 0.40863409709043 0.86015072497710 0.13984927502290 14.007 > 9 22 N 0.63984927502290 0.36015072497710 0.90863409709043 14.007 > 10 23 N 0.09136590290957 0.36015072497710 0.36015072497710 14.007 > 11 24 N 0.63984927502290 0.90863409709043 0.36015072497710 14.007 > 12 25 P 0.25000000000000 0.00000000000000 0.50000000000000 30.974 > 25 26 P 0.25000000000000 0.50000000000000 0.00000000000000 30.974 > 26 27 P 0.00000000000000 0.25000000000000 0.50000000000000 30.974 > 27 28 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 28 29 P 0.50000000000000 0.00000000000000 0.75000000000000 30.974 > 29 30 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 30 31 P 0.75000000000000 0.50000000000000 0.00000000000000 30.974 > 25 32 P 0.75000000000000 0.00000000000000 0.50000000000000 30.974 > 26 33 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 27 34 P 0.00000000000000 0.75000000000000 0.50000000000000 30.974 > 28 35 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 29 36 P 0.50000000000000 0.00000000000000 0.25000000000000 30.974 > 30 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 37 39 Zn 0.66519968792872 0.33480031207128 0.66519968792872 65.380 > 39 40 Zn 0.33480031207128 0.66519968792872 0.66519968792872 65.380 > 40 41 Zn 0.16519968792872 0.16519968792872 0.83480031207128 65.380 > 41 42 Zn 0.33480031207128 0.33480031207128 0.33480031207128 65.380 > 42 43 Zn 0.16519968792872 0.83480031207128 0.16519968792872 65.380 > 39 44 Zn 0.83480031207128 0.16519968792872 0.16519968792872 65.380 > 40 45 Zn 0.66519968792872 0.66519968792872 0.33480031207128 65.380 > 41 46 Zn 0.83480031207128 0.83480031207128 0.83480031207128 65.380 > 42----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.5399975 0.0000000 0.0000000 0.0000000 4.5399975 0.0000000 0.0000000 0.0000000 4.5399975-------------------------- Born effective charges -------------------------- 1 N -2.3314850 0.0683626 -0.0683626 0.1951246 -2.5618825 -1.0267400 -0.1951246 -1.0267400 -2.5618825 2 N -2.3314850 -0.0683626 -0.0683626 -0.1951246 -2.5618825 1.0267400 -0.1951246 1.0267400 -2.5618825 3 N -2.5618825 0.1951246 1.0267400 0.0683626 -2.3314850 0.0683626 1.0267400 0.1951246 -2.5618825 4 N -2.5618825 1.0267400 0.1951246 1.0267400 -2.5618825 0.1951246 0.0683626 0.0683626 -2.3314850 5 N -2.5618825 -0.1951246 -1.0267400 -0.0683626 -2.3314850 0.0683626 -1.0267400 0.1951246 -2.5618825 6 N -2.5618825 -0.1951246 1.0267400 -0.0683626 -2.3314850 -0.0683626 1.0267400 -0.1951246 -2.5618825 7 N -2.5618825 1.0267400 -0.1951246 1.0267400 -2.5618825 -0.1951246 -0.0683626 -0.0683626 -2.3314850 8 N -2.5618825 -1.0267400 -0.1951246 -1.0267400 -2.5618825 0.1951246 -0.0683626 0.0683626 -2.3314850 9 N -2.3314850 -0.0683626 0.0683626 -0.1951246 -2.5618825 -1.0267400 0.1951246 -1.0267400 -2.5618825 10 N -2.5618825 -1.0267400 0.1951246 -1.0267400 -2.5618825 -0.1951246 0.0683626 -0.0683626 -2.3314850 11 N -2.3314850 0.0683626 0.0683626 0.1951246 -2.5618825 1.0267400 0.1951246 1.0267400 -2.5618825 12 N -2.5618825 0.1951246 -1.0267400 0.0683626 -2.3314850 -0.0683626 -1.0267400 -0.1951246 -2.5618825 13 P 4.2422539 0.0000000 0.0000000 -0.0000000 3.6337809 0.2449220 0.0000000 -0.2449220 3.6337809 14 P 4.2422539 0.0000000 0.0000000 -0.0000000 3.6337809 -0.2449220 0.0000000 0.2449220 3.6337809 15 P 3.6337809 0.0000000 0.2449220 -0.0000000 4.2422539 -0.0000000 -0.2449220 0.0000000 3.6337809 16 P 3.6337809 0.0000000 -0.2449220 -0.0000000 4.2422539 -0.0000000 0.2449220 0.0000000 3.6337809 17 P 3.6337809 0.2449220 0.0000000 -0.2449220 3.6337809 -0.0000000 0.0000000 0.0000000 4.2422539 18 P 3.6337809 -0.2449220 0.0000000 0.2449220 3.6337809 -0.0000000 0.0000000 0.0000000 4.2422539 19 S -1.4368212 0.0000000 0.0000000 -0.0000000 -1.4368212 -0.0000000 0.0000000 0.0000000 -1.4368212 20 Zn 2.0595474 -0.1196734 0.1196734 -0.1196734 2.0595474 -0.1196734 0.1196734 -0.1196734 2.0595474 21 Zn 2.0595474 -0.1196734 -0.1196734 -0.1196734 2.0595474 0.1196734 -0.1196734 0.1196734 2.0595474 22 Zn 2.0595474 0.1196734 -0.1196734 0.1196734 2.0595474 -0.1196734 -0.1196734 -0.1196734 2.0595474 23 Zn 2.0595474 0.1196734 0.1196734 0.1196734 2.0595474 0.1196734 0.1196734 0.1196734 2.0595474----------------------------------------------------------------------------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): [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000]Computing fc3[ 39, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000065 (yxz) -0.00000065 (yxz) -0.00000065 (yzx)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 01:44:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:44:41]-------------------------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 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-43m (217)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.086971000000000 4.086971000000000 4.086971000000000 b 4.086971000000000 -4.086971000000000 4.086971000000000 c 4.086971000000000 4.086971000000000 -4.086971000000000Atomic positions (fractional): 1 N 0.00000000000000 0.26878482206753 0.54848337211333 14.007 2 N 0.27969855004580 0.73121517793247 0.73121517793247 14.007 3 N 0.45151662788667 0.72030144995420 0.45151662788667 14.007 4 N 0.45151662788667 0.45151662788667 0.72030144995420 14.007 5 N 0.54848337211333 0.00000000000000 0.26878482206753 14.007 6 N 0.73121517793247 0.27969855004580 0.73121517793247 14.007 7 N 0.73121517793247 0.73121517793247 0.27969855004580 14.007 8 N 0.54848337211333 0.26878482206753 0.00000000000000 14.007 9 N 0.00000000000000 0.54848337211333 0.26878482206753 14.007 10 N 0.26878482206753 0.54848337211333 0.00000000000000 14.007 11 N 0.72030144995420 0.45151662788667 0.45151662788667 14.007 12 N 0.26878482206753 0.00000000000000 0.54848337211333 14.007 13 P 0.50000000000000 0.75000000000000 0.25000000000000 30.974 14 P 0.50000000000000 0.25000000000000 0.75000000000000 30.974 15 P 0.75000000000000 0.50000000000000 0.25000000000000 30.974 16 P 0.25000000000000 0.50000000000000 0.75000000000000 30.974 17 P 0.75000000000000 0.25000000000000 0.50000000000000 30.974 18 P 0.25000000000000 0.75000000000000 0.50000000000000 30.974 19 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 20 Zn 0.00000000000000 0.33039937585743 0.00000000000000 65.380 21 Zn 0.33039937585743 0.00000000000000 0.00000000000000 65.380 22 Zn 0.00000000000000 0.00000000000000 0.33039937585743 65.380 23 Zn 0.66960062414257 0.66960062414257 0.66960062414257 65.380-------------------------------- supercell ---------------------------------Lattice vectors: a 8.173942000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.173942000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.173942000000000Atomic positions (fractional): 1 N 0.40863409709043 0.13984927502290 0.86015072497710 14.007 > 1 2 N 0.59136590290957 0.13984927502290 0.13984927502290 14.007 > 2 3 N 0.86015072497710 0.59136590290957 0.86015072497710 14.007 > 3 4 N 0.36015072497710 0.36015072497710 0.09136590290957 14.007 > 4 5 N 0.36015072497710 0.90863409709043 0.63984927502290 14.007 > 5 6 N 0.13984927502290 0.59136590290957 0.13984927502290 14.007 > 6 7 N 0.13984927502290 0.13984927502290 0.59136590290957 14.007 > 7 8 N 0.86015072497710 0.13984927502290 0.40863409709043 14.007 > 8 9 N 0.90863409709043 0.36015072497710 0.63984927502290 14.007 > 9 10 N 0.13984927502290 0.86015072497710 0.40863409709043 14.007 > 10 11 N 0.59136590290957 0.86015072497710 0.86015072497710 14.007 > 11 12 N 0.13984927502290 0.40863409709043 0.86015072497710 14.007 > 12 13 N 0.90863409709043 0.63984927502290 0.36015072497710 14.007 > 1 14 N 0.09136590290957 0.63984927502290 0.63984927502290 14.007 > 2 15 N 0.36015072497710 0.09136590290957 0.36015072497710 14.007 > 3 16 N 0.86015072497710 0.86015072497710 0.59136590290957 14.007 > 4 17 N 0.86015072497710 0.40863409709043 0.13984927502290 14.007 > 5 18 N 0.63984927502290 0.09136590290957 0.63984927502290 14.007 > 6 19 N 0.63984927502290 0.63984927502290 0.09136590290957 14.007 > 7 20 N 0.36015072497710 0.63984927502290 0.90863409709043 14.007 > 8 21 N 0.40863409709043 0.86015072497710 0.13984927502290 14.007 > 9 22 N 0.63984927502290 0.36015072497710 0.90863409709043 14.007 > 10 23 N 0.09136590290957 0.36015072497710 0.36015072497710 14.007 > 11 24 N 0.63984927502290 0.90863409709043 0.36015072497710 14.007 > 12 25 P 0.25000000000000 0.00000000000000 0.50000000000000 30.974 > 25 26 P 0.25000000000000 0.50000000000000 0.00000000000000 30.974 > 26 27 P 0.00000000000000 0.25000000000000 0.50000000000000 30.974 > 27 28 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 28 29 P 0.50000000000000 0.00000000000000 0.75000000000000 30.974 > 29 30 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 30 31 P 0.75000000000000 0.50000000000000 0.00000000000000 30.974 > 25 32 P 0.75000000000000 0.00000000000000 0.50000000000000 30.974 > 26 33 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 27 34 P 0.00000000000000 0.75000000000000 0.50000000000000 30.974 > 28 35 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 29 36 P 0.50000000000000 0.00000000000000 0.25000000000000 30.974 > 30 37 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 37 38 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 37 39 Zn 0.66519968792872 0.33480031207128 0.66519968792872 65.380 > 39 40 Zn 0.33480031207128 0.66519968792872 0.66519968792872 65.380 > 40 41 Zn 0.16519968792872 0.16519968792872 0.83480031207128 65.380 > 41 42 Zn 0.33480031207128 0.33480031207128 0.33480031207128 65.380 > 42 43 Zn 0.16519968792872 0.83480031207128 0.16519968792872 65.380 > 39 44 Zn 0.83480031207128 0.16519968792872 0.16519968792872 65.380 > 40 45 Zn 0.66519968792872 0.66519968792872 0.33480031207128 65.380 > 41 46 Zn 0.83480031207128 0.83480031207128 0.83480031207128 65.380 > 42----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.5399975 0.0000000 0.0000000 0.0000000 4.5399975 0.0000000 0.0000000 0.0000000 4.5399975-------------------------- Born effective charges -------------------------- 1 N -2.3314850 0.0683626 -0.0683626 0.1951246 -2.5618825 -1.0267400 -0.1951246 -1.0267400 -2.5618825 2 N -2.3314850 -0.0683626 -0.0683626 -0.1951246 -2.5618825 1.0267400 -0.1951246 1.0267400 -2.5618825 3 N -2.5618825 0.1951246 1.0267400 0.0683626 -2.3314850 0.0683626 1.0267400 0.1951246 -2.5618825 4 N -2.5618825 1.0267400 0.1951246 1.0267400 -2.5618825 0.1951246 0.0683626 0.0683626 -2.3314850 5 N -2.5618825 -0.1951246 -1.0267400 -0.0683626 -2.3314850 0.0683626 -1.0267400 0.1951246 -2.5618825 6 N -2.5618825 -0.1951246 1.0267400 -0.0683626 -2.3314850 -0.0683626 1.0267400 -0.1951246 -2.5618825 7 N -2.5618825 1.0267400 -0.1951246 1.0267400 -2.5618825 -0.1951246 -0.0683626 -0.0683626 -2.3314850 8 N -2.5618825 -1.0267400 -0.1951246 -1.0267400 -2.5618825 0.1951246 -0.0683626 0.0683626 -2.3314850 9 N -2.3314850 -0.0683626 0.0683626 -0.1951246 -2.5618825 -1.0267400 0.1951246 -1.0267400 -2.5618825 10 N -2.5618825 -1.0267400 0.1951246 -1.0267400 -2.5618825 -0.1951246 0.0683626 -0.0683626 -2.3314850 11 N -2.3314850 0.0683626 0.0683626 0.1951246 -2.5618825 1.0267400 0.1951246 1.0267400 -2.5618825 12 N -2.5618825 0.1951246 -1.0267400 0.0683626 -2.3314850 -0.0683626 -1.0267400 -0.1951246 -2.5618825 13 P 4.2422539 0.0000000 0.0000000 -0.0000000 3.6337809 0.2449220 0.0000000 -0.2449220 3.6337809 14 P 4.2422539 0.0000000 0.0000000 -0.0000000 3.6337809 -0.2449220 0.0000000 0.2449220 3.6337809 15 P 3.6337809 0.0000000 0.2449220 -0.0000000 4.2422539 -0.0000000 -0.2449220 0.0000000 3.6337809 16 P 3.6337809 0.0000000 -0.2449220 -0.0000000 4.2422539 -0.0000000 0.2449220 0.0000000 3.6337809 17 P 3.6337809 0.2449220 0.0000000 -0.2449220 3.6337809 -0.0000000 0.0000000 0.0000000 4.2422539 18 P 3.6337809 -0.2449220 0.0000000 0.2449220 3.6337809 -0.0000000 0.0000000 0.0000000 4.2422539 19 S -1.4368212 0.0000000 0.0000000 -0.0000000 -1.4368212 -0.0000000 0.0000000 0.0000000 -1.4368212 20 Zn 2.0595474 -0.1196734 0.1196734 -0.1196734 2.0595474 -0.1196734 0.1196734 -0.1196734 2.0595474 21 Zn 2.0595474 -0.1196734 -0.1196734 -0.1196734 2.0595474 0.1196734 -0.1196734 0.1196734 2.0595474 22 Zn 2.0595474 0.1196734 -0.1196734 0.1196734 2.0595474 -0.1196734 -0.1196734 -0.1196734 2.0595474 23 Zn 2.0595474 0.1196734 0.1196734 0.1196734 2.0595474 0.1196734 0.1196734 0.1196734 2.0595474----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000065 (yxz) -0.00000065 (yxz) -0.00000065 (yzx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 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: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/35) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 35Calculating 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 4.037 ( -0.000 -0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.037 ( -0.000 -0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 -0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.894 ( -0.000 -0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.918 ( -0.000 -0.000 0.000) 0.000 7.682 ( 0.000 -0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.199 ( -0.000 -0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 -0.000 0.000) 0.000 8.973 ( -0.000 -0.000 0.000) 0.000 8.973 ( -0.000 -0.000 0.000) 0.000 10.957 ( -0.000 -0.000 0.000) 0.000 10.957 ( -0.000 -0.000 0.000) 0.000 10.957 ( -0.000 -0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.481 ( -0.000 0.000 0.000) 0.000 12.017 ( -0.000 -0.000 0.000) 0.000 12.735 ( 0.000 0.000 0.000) 0.000 12.735 ( 0.000 0.000 0.000) 0.000 12.735 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 -0.000 0.000) 0.000 14.653 ( -0.000 -0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 16.405 ( -0.000 -0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 17.145 ( -0.000 0.000 0.000) 0.000 17.145 ( 0.000 -0.000 0.000) 0.000 17.145 ( 0.000 -0.000 0.000) 0.000 19.080 ( 0.000 0.000 0.000) 0.000 19.080 ( -0.000 -0.000 0.000) 0.000 21.837 ( 0.000 0.000 0.000) 0.000 22.092 ( 0.000 0.000 0.000) 0.000 22.092 ( 0.000 -0.000 0.000) 0.000 22.092 ( 0.000 0.000 0.000) 0.000 23.062 ( -0.000 0.000 0.000) 0.000 23.062 ( 0.000 0.000 0.000) 0.000 25.459 ( 0.000 0.000 0.000) 0.000 25.459 ( 0.000 0.000 0.000) 0.000 25.459 ( 0.000 -0.000 0.000) 0.000 26.816 ( -0.000 0.000 0.000) 0.000 26.816 ( 0.000 0.000 0.000) 0.000 26.816 ( 0.000 0.000 0.000) 0.000 28.939 ( 0.000 -0.000 0.000) 0.000 30.446 ( 0.000 -0.000 0.000) 0.000 30.446 ( 0.000 0.000 0.000) 0.000 30.446 ( 0.000 0.000 0.000) 0.000 30.684 ( 0.000 0.000 0.000) 0.000 30.684 ( 0.000 0.000 0.000) 0.000 30.684 ( -0.000 0.000 0.000) 0.000 32.633 ( -0.000 0.000 0.000) 0.000 32.633 ( 0.000 0.000 0.000) 0.000 33.367 ( 0.000 0.000 0.000) 0.000 33.367 ( 0.000 0.000 0.000) 0.000 33.367 ( 0.000 -0.000 0.000) 0.000======================= Grid point 1 (2/35) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( 0.000 32.055 32.055) 45.333 0.920 ( 0.000 33.034 33.034) 46.717 1.554 ( 0.000 56.199 56.199) 79.478 3.982 ( 0.000 -5.999 -5.999) 8.483 4.022 ( 0.000 -1.162 -1.162) 1.643 4.029 ( 0.000 -0.882 -0.882) 1.247 4.540 ( 0.000 -1.273 -1.273) 1.800 4.552 ( 0.000 -0.162 -0.162) 0.230 4.563 ( 0.000 0.826 0.826) 1.168 5.257 ( 0.000 -4.021 -4.021) 5.687 5.292 ( 0.000 -1.564 -1.564) 2.212 5.789 ( 0.000 -5.690 -5.690) 8.047 5.888 ( 0.000 -0.569 -0.569) 0.804 5.908 ( 0.000 0.977 0.977) 1.381 6.353 ( 0.000 8.277 8.277) 11.706 7.186 ( 0.000 -22.854 -22.854) 32.321 7.642 ( 0.000 -2.552 -2.552) 3.609 7.715 ( 0.000 2.635 2.635) 3.726 8.237 ( 0.000 2.631 2.631) 3.721 8.264 ( 0.000 4.270 4.270) 6.039 8.273 ( 0.000 5.137 5.137) 7.264 8.830 ( 0.000 27.941 27.941) 39.514 8.957 ( 0.000 -0.900 -0.900) 1.273 8.981 ( 0.000 0.625 0.625) 0.884 9.209 ( 0.000 -1.618 -1.618) 2.288 10.691 ( 0.000 -16.475 -16.475) 23.299 10.877 ( 0.000 -6.075 -6.075) 8.591 10.979 ( 0.000 1.875 1.875) 2.651 11.543 ( 0.000 1.681 1.681) 2.377 11.545 ( 0.000 4.855 4.855) 6.866 11.924 ( 0.000 -6.266 -6.266) 8.861 12.779 ( 0.000 3.004 3.004) 4.249 12.802 ( 0.000 4.953 4.953) 7.004 13.056 ( 0.000 6.093 6.093) 8.617 14.477 ( 0.000 -11.915 -11.915) 16.850 14.574 ( 0.000 -5.415 -5.415) 7.658 14.631 ( 0.000 -1.463 -1.463) 2.068 16.419 ( 0.000 -0.303 -0.303) 0.428 16.447 ( 0.000 1.079 1.079) 1.526 16.697 ( 0.000 -2.033 -2.033) 2.875 17.007 ( 0.000 -8.157 -8.157) 11.536 17.177 ( 0.000 1.207 1.207) 1.707 17.708 ( 0.000 -2.040 -2.040) 2.885 19.083 ( 0.000 0.266 0.266) 0.377 19.182 ( 0.000 6.630 6.630) 9.376 21.829 ( 0.000 -0.587 -0.587) 0.830 22.062 ( 0.000 -1.917 -1.917) 2.711 22.109 ( 0.000 1.137 1.137) 1.608 22.164 ( 0.000 5.167 5.167) 7.307 23.101 ( 0.000 2.802 2.802) 3.963 23.181 ( 0.000 8.189 8.189) 11.580 25.376 ( 0.000 -5.566 -5.566) 7.872 25.425 ( 0.000 -2.304 -2.304) 3.259 26.023 ( 0.000 -5.392 -5.392) 7.626 26.730 ( 0.000 -6.253 -6.253) 8.843 26.871 ( 0.000 4.183 4.183) 5.915 27.441 ( 0.000 6.685 6.685) 9.454 28.989 ( 0.000 3.619 3.619) 5.117 30.385 ( 0.000 -4.001 -4.001) 5.658 30.397 ( 0.000 -3.050 -3.050) 4.313 30.689 ( 0.000 0.342 0.342) 0.484 30.719 ( 0.000 2.066 2.066) 2.922 30.725 ( 0.000 2.472 2.472) 3.496 32.590 ( 0.000 -2.878 -2.878) 4.071 32.652 ( 0.000 1.312 1.312) 1.856 33.357 ( 0.000 -0.698 -0.698) 0.987 33.378 ( 0.000 0.750 0.750) 1.060 33.392 ( 0.000 1.368 1.368) 1.934 33.825 ( 0.000 -0.338 -0.338) 0.478======================= Grid point 2 (3/35) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 0.000 29.399 29.399) 41.576 1.773 ( 0.000 29.225 29.225) 41.330 3.022 ( 0.000 50.874 50.874) 71.946 3.745 ( 0.000 -10.656 -10.656) 15.069 3.968 ( 0.000 -3.009 -3.009) 4.256 3.996 ( 0.000 -1.723 -1.723) 2.437 4.480 ( 0.000 -2.946 -2.946) 4.167 4.544 ( 0.000 -0.525 -0.525) 0.743 4.603 ( 0.000 1.978 1.978) 2.797 5.123 ( 0.000 -5.272 -5.272) 7.455 5.241 ( 0.000 -1.940 -1.940) 2.744 5.681 ( 0.000 -2.099 -2.099) 2.968 5.854 ( 0.000 -2.149 -2.149) 3.040 5.946 ( 0.000 1.773 1.773) 2.507 6.565 ( 0.000 7.133 7.133) 10.088 6.621 ( 0.000 -17.963 -17.963) 25.404 7.567 ( 0.000 -2.635 -2.635) 3.727 7.830 ( 0.000 5.637 5.637) 7.973 8.332 ( 0.000 4.036 4.036) 5.708 8.401 ( 0.000 5.307 5.307) 7.506 8.458 ( 0.000 8.113 8.113) 11.474 8.921 ( 0.000 -1.029 -1.029) 1.455 9.005 ( 0.000 1.118 1.118) 1.581 9.143 ( 0.000 -3.219 -3.219) 4.552 9.578 ( 0.000 25.373 25.373) 35.883 10.159 ( 0.000 -21.816 -21.816) 30.853 10.629 ( 0.000 -11.923 -11.923) 16.862 11.067 ( 0.000 4.397 4.397) 6.218 11.510 ( 0.000 -4.064 -4.064) 5.748 11.718 ( 0.000 -7.858 -7.858) 11.113 11.750 ( 0.000 10.275 10.275) 14.531 12.876 ( 0.000 3.700 3.700) 5.232 12.984 ( 0.000 7.699 7.699) 10.888 13.259 ( 0.000 8.332 8.332) 11.784 14.072 ( 0.000 -16.754 -16.754) 23.694 14.386 ( 0.000 -7.863 -7.863) 11.120 14.588 ( 0.000 -1.263 -1.263) 1.787 16.277 ( 0.000 -14.761 -14.761) 20.875 16.322 ( 0.000 -6.073 -6.073) 8.588 16.733 ( 0.000 4.067 4.067) 5.752 16.897 ( 0.000 1.526 1.526) 2.158 17.160 ( 0.000 -2.727 -2.727) 3.856 17.658 ( 0.000 -1.200 -1.200) 1.697 19.099 ( 0.000 0.975 0.975) 1.379 19.386 ( 0.000 7.584 7.584) 10.725 21.805 ( 0.000 -1.179 -1.179) 1.668 22.007 ( 0.000 -1.833 -1.833) 2.592 22.146 ( 0.000 1.407 1.407) 1.989 22.357 ( 0.000 8.550 8.550) 12.091 23.205 ( 0.000 4.589 4.589) 6.490 23.463 ( 0.000 11.662 11.662) 16.492 25.196 ( 0.000 -6.979 -6.979) 9.870 25.355 ( 0.000 -2.281 -2.281) 3.226 25.826 ( 0.000 -8.481 -8.481) 11.994 26.487 ( 0.000 -11.299 -11.299) 15.979 27.026 ( 0.000 6.582 6.582) 9.308 27.657 ( 0.000 8.475 8.475) 11.986 29.129 ( 0.000 6.532 6.532) 9.237 30.248 ( 0.000 -5.906 -5.906) 8.353 30.305 ( 0.000 -3.414 -3.414) 4.828 30.702 ( 0.000 0.542 0.542) 0.766 30.777 ( 0.000 1.983 1.983) 2.805 30.796 ( 0.000 2.512 2.512) 3.553 32.497 ( 0.000 -3.572 -3.572) 5.051 32.698 ( 0.000 1.944 1.944) 2.749 33.331 ( 0.000 -1.129 -1.129) 1.597 33.404 ( 0.000 1.146 1.146) 1.621 33.405 ( 0.000 -0.913 -0.913) 1.291 33.835 ( 0.000 1.393 1.393) 1.970======================= Grid point 3 (4/35) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( 0.000 24.882 24.882) 35.188 2.479 ( 0.000 21.873 21.873) 30.933 3.445 ( 0.000 -9.296 -9.296) 13.146 3.834 ( 0.000 -7.349 -7.349) 10.393 3.920 ( 0.000 -3.830 -3.830) 5.416 4.269 ( 0.000 37.862 37.862) 53.544 4.413 ( 0.000 -1.195 -1.195) 1.690 4.524 ( 0.000 -0.645 -0.645) 0.912 4.656 ( 0.000 1.559 1.559) 2.205 4.991 ( 0.000 -4.226 -4.226) 5.977 5.198 ( 0.000 -1.099 -1.099) 1.554 5.669 ( 0.000 1.132 1.132) 1.600 5.759 ( 0.000 -4.751 -4.751) 6.720 5.996 ( 0.000 1.654 1.654) 2.339 6.241 ( 0.000 -9.629 -9.629) 13.617 6.758 ( 0.000 7.923 7.923) 11.204 7.503 ( 0.000 -2.197 -2.197) 3.106 7.991 ( 0.000 5.503 5.503) 7.783 8.426 ( 0.000 1.690 1.690) 2.390 8.531 ( 0.000 4.083 4.083) 5.774 8.668 ( 0.000 5.187 5.187) 7.336 8.960 ( 0.000 6.303 6.303) 8.913 9.022 ( 0.000 -2.571 -2.571) 3.635 9.051 ( 0.000 -0.923 -0.923) 1.305 9.557 ( 0.000 -20.760 -20.760) 29.360 10.162 ( 0.000 17.038 17.038) 24.096 10.244 ( 0.000 -16.042 -16.042) 22.687 11.190 ( 0.000 3.989 3.989) 5.641 11.337 ( 0.000 -7.604 -7.604) 10.754 11.554 ( 0.000 -3.969 -3.969) 5.613 12.096 ( 0.000 14.554 14.554) 20.582 12.964 ( 0.000 2.606 2.606) 3.686 13.178 ( 0.000 5.934 5.934) 8.391 13.493 ( 0.000 8.685 8.685) 12.282 13.617 ( 0.000 -15.969 -15.969) 22.583 14.170 ( 0.000 -7.800 -7.800) 11.031 14.591 ( 0.000 2.041 2.041) 2.886 15.773 ( 0.000 -20.146 -20.146) 28.491 16.153 ( 0.000 -5.615 -5.615) 7.941 16.855 ( 0.000 4.190 4.190) 5.925 16.984 ( 0.000 3.438 3.438) 4.862 17.052 ( 0.000 -4.431 -4.431) 6.266 17.642 ( 0.000 -0.186 -0.186) 0.263 19.132 ( 0.000 1.275 1.275) 1.802 19.565 ( 0.000 5.240 5.240) 7.410 21.768 ( 0.000 -1.433 -1.433) 2.027 21.970 ( 0.000 -0.849 -0.849) 1.201 22.179 ( 0.000 0.963 0.963) 1.361 22.598 ( 0.000 8.499 8.499) 12.019 23.327 ( 0.000 3.839 3.839) 5.429 23.772 ( 0.000 10.318 10.318) 14.591 25.022 ( 0.000 -5.474 -5.474) 7.742 25.337 ( 0.000 1.566 1.566) 2.214 25.598 ( 0.000 -7.692 -7.692) 10.878 26.137 ( 0.000 -13.915 -13.915) 19.678 27.196 ( 0.000 5.400 5.400) 7.637 27.871 ( 0.000 6.786 6.786) 9.596 29.332 ( 0.000 8.156 8.156) 11.535 30.069 ( 0.000 -7.141 -7.141) 10.099 30.222 ( 0.000 -2.555 -2.555) 3.613 30.716 ( 0.000 0.490 0.490) 0.692 30.822 ( 0.000 1.306 1.306) 1.848 30.855 ( 0.000 1.742 1.742) 2.464 32.410 ( 0.000 -2.689 -2.689) 3.803 32.749 ( 0.000 1.673 1.673) 2.366 33.300 ( 0.000 -1.074 -1.074) 1.519 33.349 ( 0.000 -2.630 -2.630) 3.720 33.435 ( 0.000 1.007 1.007) 1.423 33.892 ( 0.000 2.309 2.309) 3.265======================= Grid point 4 (5/35) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 0.000 6.103 6.103) 8.631 3.058 ( 0.000 17.552 17.552) 24.822 3.324 ( 0.000 1.171 1.171) 1.656 3.566 ( 0.000 -11.635 -11.635) 16.454 3.786 ( 0.000 -4.817 -4.817) 6.813 4.423 ( 0.000 1.183 1.183) 1.673 4.500 ( 0.000 -0.423 -0.423) 0.598 4.672 ( 0.000 -0.311 -0.311) 0.439 4.903 ( 0.000 -1.912 -1.912) 2.705 4.978 ( 0.000 11.668 11.668) 16.501 5.193 ( 0.000 1.023 1.023) 1.447 5.641 ( 0.000 -2.799 -2.799) 3.959 5.737 ( 0.000 3.043 3.043) 4.303 6.020 ( 0.000 -0.016 -0.016) 0.023 6.086 ( 0.000 -2.434 -2.434) 3.442 7.033 ( 0.000 11.174 11.174) 15.803 7.422 ( 0.000 -4.314 -4.314) 6.101 8.100 ( 0.000 2.142 2.142) 3.030 8.348 ( 0.000 -6.091 -6.091) 8.613 8.622 ( 0.000 2.218 2.218) 3.137 8.713 ( 0.000 -0.040 -0.040) 0.057 8.934 ( 0.000 -1.091 -1.091) 1.542 9.025 ( 0.000 -3.285 -3.285) 4.645 9.187 ( 0.000 -4.429 -4.429) 6.264 9.295 ( 0.000 16.304 16.304) 23.057 9.775 ( 0.000 -17.991 -17.991) 25.444 10.485 ( 0.000 6.295 6.295) 8.903 11.171 ( 0.000 -3.573 -3.573) 5.053 11.260 ( 0.000 1.129 1.129) 1.597 11.487 ( 0.000 -1.146 -1.146) 1.620 12.461 ( 0.000 9.740 9.740) 13.774 13.025 ( 0.000 2.316 2.316) 3.276 13.243 ( 0.000 -10.415 -10.415) 14.730 13.288 ( 0.000 2.031 2.031) 2.873 13.716 ( 0.000 7.180 7.180) 10.154 13.970 ( 0.000 -6.559 -6.559) 9.275 14.715 ( 0.000 6.242 6.242) 8.827 15.275 ( 0.000 -14.067 -14.067) 19.893 16.043 ( 0.000 -2.173 -2.173) 3.074 16.926 ( 0.000 0.243 0.243) 0.344 16.969 ( 0.000 -0.594 -0.594) 0.841 17.052 ( 0.000 1.307 1.307) 1.848 17.640 ( 0.000 -0.052 -0.052) 0.073 19.159 ( 0.000 0.590 0.590) 0.835 19.662 ( 0.000 1.820 1.820) 2.574 21.737 ( 0.000 -0.658 -0.658) 0.931 21.957 ( 0.000 -0.192 -0.192) 0.272 22.196 ( 0.000 0.324 0.324) 0.458 22.776 ( 0.000 3.801 3.801) 5.375 23.396 ( 0.000 1.185 1.185) 1.676 23.982 ( 0.000 4.384 4.384) 6.199 24.915 ( 0.000 -2.151 -2.151) 3.042 25.441 ( 0.000 -3.272 -3.272) 4.627 25.465 ( 0.000 7.894 7.894) 11.164 25.764 ( 0.000 -12.807 -12.807) 18.112 27.300 ( 0.000 2.041 2.041) 2.886 28.003 ( 0.000 2.609 2.609) 3.689 29.550 ( 0.000 6.878 6.878) 9.727 29.873 ( 0.000 -6.406 -6.406) 9.060 30.173 ( 0.000 -0.951 -0.951) 1.345 30.726 ( 0.000 0.196 0.196) 0.277 30.846 ( 0.000 0.452 0.452) 0.639 30.888 ( 0.000 0.624 0.624) 0.883 32.358 ( 0.000 -0.990 -0.990) 1.399 32.782 ( 0.000 0.661 0.661) 0.935 33.278 ( 0.000 -0.453 -0.453) 0.641 33.291 ( 0.000 -1.298 -1.298) 1.836 33.455 ( 0.000 0.397 0.397) 0.562 33.940 ( 0.000 1.014 1.014) 1.435======================= Grid point 10 (6/35) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 16.735 16.735 36.070) 43.142 1.536 ( 17.068 17.068 36.207) 43.516 2.646 ( 31.284 31.284 59.935) 74.496 3.838 ( -4.532 -4.532 -11.142) 12.854 3.981 ( -1.453 -1.453 -3.305) 3.891 3.998 ( -1.407 -1.407 -1.461) 2.469 4.518 ( -1.157 -1.157 -2.768) 3.215 4.538 ( -0.588 -0.588 -0.337) 0.897 4.576 ( -0.991 -0.991 2.627) 2.978 5.176 ( -1.885 -1.885 -6.262) 6.806 5.244 ( -3.026 -3.026 -0.803) 4.354 5.701 ( -1.167 -1.167 -4.149) 4.466 5.891 ( -0.748 -0.748 0.060) 1.060 5.908 ( -0.216 -0.216 0.879) 0.931 6.517 ( 6.058 6.058 7.550) 11.420 6.760 ( -8.018 -8.018 -25.877) 28.252 7.655 ( -3.592 -3.592 3.188) 5.997 7.713 ( -2.005 -2.005 5.214) 5.935 8.312 ( 2.472 2.472 4.937) 6.049 8.366 ( 3.120 3.120 6.623) 7.958 8.390 ( 3.345 3.345 8.358) 9.604 8.950 ( -1.385 -1.385 -0.004) 1.958 8.973 ( -1.097 -1.097 1.149) 1.930 9.170 ( 0.235 0.235 -4.258) 4.271 9.391 ( 20.119 20.119 26.890) 39.149 10.370 ( -10.527 -10.527 -22.871) 27.289 10.593 ( -15.000 -15.000 -6.932) 22.317 11.115 ( 15.112 15.112 -7.338) 22.596 11.548 ( -0.267 -0.267 1.008) 1.076 11.648 ( -4.381 -4.381 14.376) 15.655 11.777 ( -4.406 -4.406 -9.954) 11.743 12.875 ( 2.155 2.155 6.353) 7.046 12.893 ( 2.707 2.707 7.077) 8.046 13.209 ( 7.099 7.099 7.881) 12.763 14.288 ( -1.773 -1.773 -19.277) 19.439 14.299 ( -0.926 -0.926 -20.986) 21.027 14.649 ( -10.064 -10.064 10.077) 17.439 16.360 ( -3.033 -3.033 -10.828) 11.647 16.478 ( 1.051 1.051 1.299) 1.974 16.606 ( -11.074 -11.074 -1.152) 15.704 16.884 ( 1.444 1.444 -8.896) 9.127 17.098 ( -8.703 -8.703 6.052) 13.715 17.786 ( 17.546 17.546 -10.273) 26.856 18.980 ( 7.666 7.666 -13.866) 17.602 19.408 ( -8.236 -8.236 25.880) 28.380 21.814 ( -0.235 -0.235 -1.314) 1.355 22.001 ( 2.629 2.629 -7.557) 8.422 22.181 ( -3.621 -3.621 8.683) 10.080 22.268 ( 2.504 2.504 9.785) 10.406 23.201 ( 5.922 5.922 3.656) 9.139 23.353 ( 2.266 2.266 15.133) 15.469 25.269 ( -1.689 -1.689 -10.145) 10.422 25.328 ( -0.308 -0.308 -7.019) 7.033 25.921 ( -5.604 -5.604 -5.218) 9.488 26.675 ( -7.358 -7.358 -3.150) 10.872 26.808 ( -6.172 -6.172 4.255) 9.710 27.645 ( 16.374 16.374 3.512) 23.421 29.084 ( 3.296 3.296 6.845) 8.282 30.303 ( -3.165 -3.165 -5.147) 6.821 30.316 ( -2.784 -2.784 -4.426) 5.924 30.696 ( -0.400 -0.400 1.121) 1.256 30.768 ( 1.549 1.549 2.486) 3.313 30.773 ( 1.592 1.592 2.715) 3.527 32.532 ( 1.890 1.890 -8.184) 8.610 32.672 ( -1.130 -1.130 4.224) 4.517 33.328 ( -2.346 -2.346 -0.564) 3.366 33.404 ( 1.807 1.807 -0.181) 2.562 33.436 ( 1.691 1.691 2.405) 3.392 33.806 ( -2.603 -2.603 1.271) 3.895======================= Grid point 11 (7/35) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( 10.366 19.059 30.853) 37.717 2.254 ( 9.397 19.232 30.044) 36.889 3.568 ( -1.511 -8.028 -10.036) 12.941 3.848 ( 12.902 26.123 33.446) 44.356 3.896 ( -1.660 -1.159 -3.299) 3.870 3.966 ( 2.008 3.304 8.531) 9.367 4.423 ( -1.787 -3.389 -5.464) 6.673 4.529 ( -2.128 -1.655 0.881) 2.836 4.611 ( -3.996 -0.605 3.652) 5.447 5.060 ( 1.273 -2.880 -4.839) 5.773 5.207 ( -1.886 -1.683 0.204) 2.536 5.666 ( 0.838 0.590 -0.379) 1.092 5.845 ( 2.160 -4.211 -1.397) 4.935 5.942 ( -2.675 2.752 0.672) 3.896 6.345 ( -2.151 -6.934 -18.481) 19.856 6.699 ( 4.765 6.357 7.225) 10.739 7.602 ( 2.042 -9.438 4.820) 10.792 7.844 ( -8.680 5.710 6.981) 12.517 8.418 ( 3.209 2.712 4.487) 6.147 8.496 ( 1.719 2.366 6.036) 6.707 8.575 ( -0.744 5.462 8.805) 10.388 8.926 ( 0.184 -0.872 0.987) 1.330 8.989 ( -3.605 0.164 0.994) 3.743 9.103 ( 1.207 -1.681 -3.539) 4.100 9.793 ( -2.583 -12.549 -23.891) 27.110 10.025 ( 13.286 13.959 17.143) 25.793 10.295 ( -19.375 -13.183 -10.032) 25.492 11.159 ( 13.259 12.173 -11.754) 21.497 11.486 ( -0.711 -10.563 -0.807) 10.618 11.579 ( -2.674 -3.021 -7.819) 8.799 11.922 ( -3.739 6.260 22.430) 23.586 12.964 ( 2.844 -0.017 4.973) 5.729 13.062 ( -3.101 5.656 6.926) 9.464 13.431 ( 8.118 9.503 7.313) 14.480 13.871 ( 8.916 -10.808 -20.820) 25.095 14.114 ( -3.583 10.146 -21.559) 24.095 14.639 ( -7.810 -12.819 12.412) 19.478 16.031 ( -2.150 -15.200 -20.416) 25.544 16.253 ( -0.387 -13.702 -5.570) 14.796 16.620 ( -18.455 7.807 -1.014) 20.064 16.913 ( 4.957 6.770 -0.758) 8.425 17.068 ( -8.752 -7.461 4.968) 12.528 17.845 ( 23.962 6.499 -4.715) 25.272 18.949 ( 2.038 17.466 -16.633) 24.204 19.619 ( -6.334 -12.124 25.152) 28.631 21.787 ( 0.614 -0.461 -1.938) 2.085 21.944 ( 1.441 3.815 -7.082) 8.172 22.227 ( -2.601 -7.666 10.008) 12.873 22.489 ( -0.124 6.293 12.311) 13.826 23.324 ( 6.067 3.310 4.410) 8.198 23.623 ( -2.342 6.680 13.820) 15.527 25.092 ( 1.176 -2.817 -9.455) 9.936 25.265 ( -0.816 4.705 -6.288) 7.896 25.738 ( -1.140 -9.073 -5.610) 10.728 26.395 ( 3.148 -19.754 -6.201) 20.942 26.892 ( -23.143 6.095 3.151) 24.138 27.919 ( 21.541 15.799 3.202) 26.905 29.256 ( 2.731 5.660 9.042) 11.012 30.158 ( -1.010 -6.398 -6.027) 8.848 30.226 ( -3.619 -1.882 -4.139) 5.811 30.708 ( -0.914 -0.395 1.277) 1.619 30.816 ( 1.498 1.173 1.879) 2.674 30.833 ( 0.609 1.966 2.081) 2.927 32.438 ( 3.349 2.034 -8.758) 9.594 32.731 ( -1.752 -0.704 5.582) 5.893 33.283 ( -3.955 -2.464 -1.027) 4.771 33.408 ( 2.395 -0.447 -1.629) 2.931 33.469 ( 3.987 -1.107 2.299) 4.733 33.818 ( -5.742 0.621 2.647) 6.353======================= Grid point 12 (8/35) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.795 ( 7.055 12.117 16.041) 21.305 2.865 ( 6.238 16.684 24.513) 30.301 3.354 ( 0.430 -4.419 -3.570) 5.697 3.712 ( 0.400 -8.280 -10.035) 13.016 3.851 ( -2.781 -5.940 -2.640) 7.070 4.316 ( -5.455 2.450 -8.016) 10.001 4.524 ( -4.271 -4.490 5.401) 8.220 4.637 ( -5.460 -1.159 2.176) 5.991 4.768 ( 7.822 20.444 17.296) 27.898 5.001 ( 4.352 -2.035 5.210) 7.087 5.203 ( 0.913 -0.435 1.382) 1.713 5.704 ( 2.998 1.543 2.055) 3.949 5.753 ( 3.218 -5.163 0.512) 6.105 5.985 ( -2.293 2.820 -0.573) 3.680 6.099 ( -0.979 -1.164 -9.617) 9.736 6.928 ( 5.183 9.480 12.389) 16.438 7.540 ( 2.416 -9.941 4.794) 11.298 8.006 ( -7.271 4.401 5.224) 9.976 8.435 ( 1.954 -4.978 -4.185) 6.790 8.588 ( 0.095 2.426 3.168) 3.991 8.706 ( -1.714 0.510 2.841) 3.357 8.946 ( -2.087 -1.647 -2.895) 3.931 9.021 ( -2.790 4.177 0.444) 5.043 9.103 ( -2.324 2.693 10.196) 10.798 9.283 ( -1.998 -10.614 -15.555) 18.937 9.903 ( -16.248 -17.812 -13.127) 27.451 10.451 ( 14.171 13.938 8.387) 21.573 11.154 ( 4.273 8.611 -9.657) 13.625 11.300 ( -0.065 -6.152 -5.450) 8.219 11.498 ( -3.155 -3.785 0.507) 4.953 12.344 ( 1.482 8.551 21.163) 22.874 13.009 ( -0.036 -0.436 2.676) 2.712 13.198 ( -6.576 2.605 4.140) 8.196 13.466 ( 12.342 -7.767 -17.258) 22.594 13.655 ( 8.804 10.365 3.379) 14.012 13.989 ( 2.304 8.540 -16.018) 18.298 14.677 ( -4.473 -5.635 12.939) 14.805 15.506 ( -0.699 -18.316 -19.013) 26.409 16.058 ( -5.562 -6.708 -3.217) 9.289 16.688 ( -22.432 2.345 0.419) 22.558 16.965 ( 4.328 3.825 -2.735) 6.391 17.055 ( -3.393 -1.563 2.746) 4.636 17.853 ( 25.256 1.648 -1.639) 25.362 18.976 ( -0.397 19.746 -17.441) 26.349 19.756 ( -4.899 -14.788 21.674) 26.692 21.754 ( 1.432 -0.252 -1.872) 2.370 21.914 ( 0.284 4.855 -6.088) 7.793 22.250 ( -2.980 -8.981 10.109) 13.847 22.731 ( 1.463 4.531 10.735) 11.743 23.391 ( 1.216 -0.309 2.211) 2.542 23.864 ( -6.256 4.725 8.786) 11.776 24.963 ( 3.931 -0.043 -6.251) 7.384 25.295 ( 2.064 11.762 -6.737) 13.712 25.574 ( 0.422 -7.792 1.014) 7.869 26.025 ( 3.667 -21.002 -6.000) 22.148 27.004 ( -27.006 5.766 0.505) 27.620 28.133 ( 25.205 11.932 -0.300) 27.888 29.470 ( 2.078 6.461 9.600) 11.757 29.974 ( -0.097 -7.756 -6.506) 10.124 30.159 ( -3.589 -0.709 -2.860) 4.643 30.718 ( -1.265 -0.520 1.114) 1.764 30.849 ( 1.309 0.643 1.008) 1.773 30.877 ( 0.320 1.243 1.064) 1.667 32.363 ( 3.515 3.623 -7.589) 9.114 32.791 ( -0.774 -2.201 5.785) 6.238 33.240 ( -5.612 -1.498 -1.083) 5.908 33.354 ( 3.081 -3.813 -0.568) 4.935 33.486 ( 3.275 -0.501 1.659) 3.705 33.872 ( -6.358 1.756 1.878) 6.858======================= Grid point 13 (9/35) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.955 ( 6.095 0.352 -0.352) 6.116 3.305 ( 6.965 -5.531 5.531) 10.473 3.336 ( -0.057 1.624 -1.624) 2.298 3.458 ( 0.237 -1.327 1.327) 1.891 3.758 ( -1.689 -2.908 2.908) 4.446 4.280 ( -7.776 8.238 -8.238) 14.006 4.540 ( -6.555 -8.299 8.299) 13.443 4.631 ( -5.212 -0.509 0.509) 5.261 4.896 ( 6.183 5.315 -5.315) 9.733 5.118 ( 3.706 -4.396 4.396) 7.237 5.229 ( 2.340 -0.318 0.318) 2.383 5.680 ( 5.396 -2.510 2.510) 6.459 5.794 ( 1.881 -2.567 2.567) 4.088 6.003 ( -1.646 0.328 -0.328) 1.710 6.024 ( -0.878 5.261 -5.261) 7.492 7.189 ( 6.746 -2.105 2.105) 7.373 7.459 ( 3.229 -7.982 7.982) 11.742 8.079 ( -6.209 -1.324 1.324) 6.485 8.274 ( -2.278 1.193 -1.193) 2.835 8.632 ( -0.212 1.105 -1.105) 1.577 8.719 ( -0.790 -1.578 1.578) 2.367 8.924 ( -1.265 -0.196 0.196) 1.295 8.980 ( -0.831 2.120 -2.120) 3.112 9.143 ( -1.068 1.655 -1.655) 2.573 9.452 ( -8.269 -0.421 0.421) 8.291 9.479 ( -13.412 -5.608 5.608) 15.581 10.608 ( 14.003 3.540 -3.540) 14.871 11.139 ( 1.218 2.415 -2.415) 3.625 11.223 ( 0.021 6.192 -6.192) 8.757 11.475 ( -3.496 -3.089 3.089) 5.595 12.588 ( 2.062 -5.565 5.565) 8.136 13.039 ( -3.784 -1.784 1.784) 4.548 13.242 ( 16.816 5.162 -5.162) 18.332 13.246 ( -7.954 -1.387 1.387) 8.192 13.780 ( 8.894 9.709 -9.709) 16.359 13.916 ( 5.317 4.622 -4.622) 8.426 14.790 ( -1.345 -4.250 4.250) 6.159 15.173 ( -2.348 -2.490 2.490) 4.233 15.989 ( -6.916 -1.402 1.402) 7.195 16.703 ( -23.938 -1.680 1.680) 24.056 16.969 ( 3.730 3.554 -3.554) 6.258 17.069 ( -1.017 0.379 -0.379) 1.150 17.853 ( 25.235 0.659 -0.659) 25.253 18.994 ( -0.952 18.589 -18.589) 26.306 19.803 ( -4.383 -17.941 17.941) 25.748 21.738 ( 1.692 0.827 -0.827) 2.057 21.907 ( -0.083 5.492 -5.492) 7.767 22.258 ( -3.171 -9.737 9.737) 14.131 22.848 ( 3.681 -3.219 3.219) 5.854 23.396 ( -2.715 -1.296 1.296) 3.276 23.960 ( -8.580 -1.629 1.629) 8.884 24.921 ( 6.191 3.035 -3.035) 7.534 25.332 ( 3.503 12.373 -12.373) 17.846 25.596 ( 1.333 -2.398 2.398) 3.644 25.759 ( 2.972 -12.446 12.446) 17.850 27.048 ( -28.065 2.924 -2.924) 28.368 28.215 ( 26.627 6.121 -6.121) 27.999 29.629 ( 1.790 -1.590 1.590) 2.874 29.827 ( 0.235 -0.695 0.695) 1.011 30.134 ( -3.571 1.051 -1.051) 3.868 30.722 ( -1.394 -0.804 0.804) 1.799 30.860 ( 1.250 -0.123 0.123) 1.262 30.893 ( 0.246 0.133 -0.133) 0.310 32.335 ( 3.529 5.691 -5.691) 8.788 32.817 ( -0.072 -4.478 4.478) 6.333 33.221 ( -6.580 0.065 -0.065) 6.581 33.320 ( 3.040 -2.212 2.212) 4.362 33.494 ( 2.982 -0.910 0.910) 3.248 33.899 ( -6.292 0.167 -0.167) 6.296======================= Grid point 21 (10/35) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( 12.312 12.312 23.357) 29.133 2.783 ( 11.595 11.595 23.872) 28.961 3.401 ( -2.875 -2.875 -7.045) 8.133 3.775 ( -2.829 -2.829 -6.195) 7.374 3.863 ( -3.149 -3.149 -3.091) 5.420 4.265 ( -5.448 -5.448 -9.287) 12.067 4.519 ( -2.699 -2.699 3.276) 5.030 4.603 ( -6.139 -6.139 5.277) 10.160 4.670 ( 17.175 17.175 24.301) 34.358 5.052 ( 2.315 2.315 2.765) 4.285 5.212 ( -0.329 -0.329 2.329) 2.375 5.711 ( 2.334 2.334 4.620) 5.678 5.854 ( -0.481 -0.481 -0.954) 1.172 5.915 ( 0.858 0.858 -1.095) 1.635 6.100 ( -1.548 -1.548 -12.544) 12.734 6.902 ( 7.807 7.807 11.736) 16.113 7.693 ( -4.540 -4.540 7.487) 9.863 7.854 ( -2.730 -2.730 8.669) 9.490 8.513 ( 3.565 3.565 1.007) 5.141 8.562 ( -2.534 -2.534 0.994) 3.718 8.663 ( -0.359 -0.359 5.369) 5.393 8.928 ( -0.176 -0.176 -0.741) 0.782 8.962 ( -2.609 -2.609 0.166) 3.694 9.096 ( -0.848 -0.848 3.657) 3.848 9.357 ( -8.016 -8.016 -22.568) 25.255 9.894 ( -19.471 -19.471 -8.276) 28.753 10.455 ( 17.704 17.704 9.673) 26.841 11.125 ( 8.732 8.732 -12.366) 17.477 11.343 ( -3.820 -3.820 -10.954) 12.213 11.509 ( -4.701 -4.701 1.482) 6.811 12.290 ( 5.010 5.010 26.792) 27.713 13.028 ( -2.420 -2.420 2.030) 3.979 13.110 ( -0.948 -0.948 5.337) 5.503 13.627 ( 11.329 11.329 -0.396) 16.027 13.711 ( 6.449 6.449 -23.256) 24.980 13.860 ( 7.595 7.595 -11.745) 15.916 14.699 ( -9.033 -9.033 14.164) 19.073 15.653 ( -8.610 -8.610 -23.649) 26.599 16.088 ( -9.702 -9.702 -6.359) 15.122 16.458 ( -11.072 -11.072 8.110) 17.634 16.979 ( 5.807 5.807 -1.858) 8.420 17.027 ( -2.240 -2.240 -0.307) 3.183 18.069 ( 15.731 15.731 -3.186) 22.473 18.789 ( 9.983 9.983 -18.155) 22.999 19.832 ( -11.434 -11.434 23.557) 28.573 21.771 ( 1.102 1.102 -2.222) 2.714 21.876 ( 2.611 2.611 -6.701) 7.651 22.301 ( -7.924 -7.924 11.332) 15.936 22.704 ( 3.480 3.480 15.150) 15.929 23.419 ( 1.191 1.191 0.383) 1.727 23.765 ( -2.498 -2.498 11.418) 11.952 24.997 ( 3.800 3.800 -8.191) 9.797 25.221 ( 6.107 6.107 -5.984) 10.507 25.634 ( -3.876 -3.876 -2.526) 6.035 26.321 ( -9.390 -9.390 -3.834) 13.822 26.644 ( -10.763 -10.763 0.060) 15.222 28.235 ( 21.499 21.499 -1.486) 30.441 29.439 ( 4.430 4.430 10.302) 12.057 30.049 ( -3.999 -3.999 -5.850) 8.136 30.117 ( -2.902 -2.902 -3.920) 5.675 30.712 ( -1.216 -1.216 1.506) 2.286 30.857 ( 1.119 1.119 1.216) 1.996 30.867 ( 1.041 1.041 1.265) 1.941 32.361 ( 5.001 5.001 -10.166) 12.384 32.804 ( -1.641 -1.641 8.072) 8.399 33.206 ( -4.720 -4.720 -1.331) 6.806 33.416 ( 0.991 0.991 -0.903) 1.668 33.528 ( 0.685 0.685 0.967) 1.369 33.788 ( -4.025 -4.025 3.696) 6.787======================= Grid point 22 (11/35) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.053 ( 10.175 1.661 3.492) 10.886 3.198 ( 1.578 12.175 9.541) 15.549 3.407 ( 3.420 1.860 10.588) 11.281 3.621 ( 4.008 -10.114 -4.815) 11.897 3.784 ( -4.215 -3.915 -0.053) 5.753 4.078 ( -10.004 0.424 -10.221) 14.309 4.537 ( -6.209 -4.768 7.102) 10.570 4.581 ( -8.239 -6.706 4.290) 11.457 4.903 ( 7.845 7.734 -4.879) 12.048 5.201 ( 4.383 0.722 6.264) 7.679 5.246 ( 1.553 1.442 1.426) 2.554 5.803 ( 5.505 -2.387 0.572) 6.027 5.841 ( 1.911 -0.420 6.840) 7.114 5.926 ( -0.699 5.627 -5.030) 7.580 5.989 ( -1.246 -0.308 -2.554) 2.859 7.259 ( 12.020 9.578 19.551) 24.868 7.673 ( 3.070 -12.285 7.340) 14.636 7.968 ( -9.250 0.785 6.607) 11.394 8.305 ( -5.392 -13.199 -13.876) 19.895 8.567 ( -2.833 6.037 -5.045) 8.362 8.709 ( -2.972 -0.826 2.573) 4.017 8.903 ( -1.736 -0.876 0.152) 1.950 8.925 ( -4.031 -0.217 -2.463) 4.729 9.136 ( 1.591 -1.177 -0.662) 2.087 9.228 ( -6.151 4.051 10.999) 13.237 9.530 ( -16.800 -18.803 -6.312) 25.993 10.725 ( 17.150 12.003 -1.184) 20.966 11.101 ( 4.409 7.742 -6.818) 11.219 11.171 ( -0.111 0.755 -9.923) 9.952 11.474 ( -5.165 -5.285 3.857) 8.335 12.657 ( 3.003 0.220 17.110) 17.373 12.989 ( -6.622 -3.032 0.002) 7.283 13.166 ( -5.574 -2.148 5.508) 8.125 13.482 ( 22.810 4.325 -15.981) 28.185 13.723 ( 9.741 17.007 -13.886) 24.019 13.911 ( 8.138 10.264 -5.221) 14.101 14.804 ( -3.118 -3.540 13.660) 14.452 15.231 ( -6.089 -10.648 -14.268) 18.816 15.921 ( -9.440 -6.373 -0.462) 11.399 16.453 ( -23.348 -11.891 12.359) 28.970 16.983 ( 6.126 3.831 -5.152) 8.874 17.030 ( 1.682 5.366 -4.085) 6.951 18.178 ( 24.658 5.531 -1.772) 25.332 18.724 ( 0.738 17.469 -19.365) 26.090 19.943 ( -9.983 -15.739 19.870) 27.243 21.758 ( 2.929 1.272 -1.874) 3.703 21.838 ( 0.719 4.340 -5.670) 7.176 22.329 ( -7.494 -10.450 11.360) 17.159 22.943 ( 5.402 0.195 12.965) 14.047 23.372 ( -4.698 -3.357 -2.567) 6.319 23.849 ( -10.002 -3.625 6.769) 12.610 24.982 ( 10.220 6.030 -4.984) 12.871 25.217 ( 5.020 11.338 -12.930) 17.915 25.634 ( 0.753 -1.143 7.234) 7.362 26.062 ( 4.322 -20.565 2.909) 21.215 26.602 ( -27.408 3.040 -2.763) 27.714 28.429 ( 24.948 16.121 -8.469) 30.887 29.638 ( 3.316 3.888 9.324) 10.633 29.892 ( -0.631 -6.680 -5.063) 8.406 30.057 ( -5.133 0.447 -2.568) 5.757 30.715 ( -1.698 -1.352 1.470) 2.621 30.877 ( 1.312 0.298 0.414) 1.407 30.891 ( 0.386 0.756 0.239) 0.882 32.311 ( 5.908 7.009 -9.017) 12.858 32.884 ( 0.159 -3.943 8.146) 9.052 33.132 ( -7.721 -2.791 -1.092) 8.282 33.409 ( 3.373 -2.617 1.918) 4.681 33.529 ( 0.324 -0.390 -0.006) 0.507 33.801 ( -7.093 -1.332 2.467) 7.627======================= Grid point 31 (12/35) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.187 ( 0.797 0.797 -6.813) 6.905 3.187 ( 4.807 4.807 1.208) 6.905 3.558 ( -1.081 -1.081 1.081) 1.872 3.697 ( -2.843 -2.843 2.843) 4.924 3.804 ( -5.780 -5.780 -7.931) 11.390 3.804 ( 3.361 3.361 10.350) 11.390 4.547 ( -7.462 -7.462 6.707) 12.504 4.547 ( -6.959 -6.959 7.714) 12.504 4.922 ( 7.004 7.004 -7.004) 12.132 5.265 ( 0.882 0.882 -1.335) 1.826 5.265 ( 1.184 1.184 -0.730) 1.826 5.857 ( 1.551 1.551 -4.377) 4.896 5.857 ( 3.435 3.435 -0.610) 4.896 5.914 ( -2.432 -2.432 2.432) 4.212 5.976 ( -0.187 -0.187 0.187) 0.324 7.690 ( -6.610 -6.610 -9.845) 13.576 7.690 ( 4.360 4.360 12.095) 13.576 7.986 ( -9.590 -9.590 -1.399) 13.635 7.986 ( -2.264 -2.264 13.254) 13.635 8.481 ( 4.506 4.506 -4.506) 7.805 8.706 ( -2.275 -2.275 2.275) 3.940 8.896 ( -1.658 -1.658 1.192) 2.631 8.896 ( -1.348 -1.348 1.813) 2.631 9.215 ( -3.307 -3.307 -3.741) 5.989 9.215 ( 1.392 1.392 5.656) 5.989 9.352 ( -12.764 -12.764 12.764) 22.108 10.841 ( 11.180 11.180 -11.180) 19.365 11.089 ( 4.873 4.873 -6.100) 9.203 11.089 ( 5.691 5.691 -4.463) 9.203 11.465 ( -5.356 -5.356 5.356) 9.276 12.861 ( -7.457 -7.457 -2.130) 10.758 12.861 ( -1.065 -1.065 10.652) 10.758 13.176 ( -6.341 -6.341 6.341) 10.983 13.617 ( 13.918 13.918 -22.799) 30.120 13.617 ( 19.839 19.839 -10.957) 30.120 13.944 ( 8.840 8.840 -8.840) 15.312 14.979 ( -8.291 -8.291 -5.124) 12.797 14.979 ( 0.652 0.652 12.763) 12.797 15.844 ( -5.804 -5.804 5.804) 10.053 16.382 ( -20.149 -20.149 20.149) 34.900 17.000 ( 5.530 5.530 -7.000) 10.496 17.000 ( 6.510 6.510 -5.040) 10.496 18.466 ( 5.852 5.852 -22.626) 24.092 18.466 ( 17.035 17.035 -0.261) 24.092 20.012 ( -15.184 -15.184 15.184) 26.300 21.785 ( 2.050 2.050 -4.548) 5.393 21.785 ( 3.715 3.715 -1.217) 5.393 22.354 ( -10.264 -10.264 10.264) 17.777 23.197 ( -7.607 -7.607 -7.161) 12.923 23.197 ( 2.238 2.238 12.529) 12.923 23.821 ( -8.136 -8.136 8.136) 14.093 25.089 ( 6.557 6.557 -14.816) 17.479 25.089 ( 12.063 12.063 -3.804) 17.479 25.716 ( -1.742 -1.742 1.742) 3.017 26.242 ( -12.921 -12.921 -4.602) 18.844 26.242 ( -1.239 -1.239 18.762) 18.844 28.545 ( 17.801 17.801 -17.801) 30.832 29.795 ( -3.605 -3.605 -4.532) 6.822 29.795 ( 1.819 1.819 6.318) 6.822 29.992 ( -0.684 -0.684 0.684) 1.185 30.713 ( -1.674 -1.674 1.674) 2.900 30.892 ( 0.252 0.252 -0.634) 0.727 30.892 ( 0.506 0.506 -0.124) 0.727 32.288 ( 7.921 7.921 -7.921) 13.720 33.007 ( -6.472 -6.472 -1.524) 9.279 33.007 ( -1.141 -1.141 9.137) 9.279 33.487 ( -2.131 -2.131 -2.573) 3.962 33.487 ( 1.005 1.005 3.698) 3.962 33.770 ( -3.905 -3.905 3.905) 6.764======================= Grid point 102 (13/35) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( 22.672 22.672 22.672) 39.270 2.093 ( 22.672 22.672 22.672) 39.270 3.567 ( 18.850 18.850 18.850) 32.650 3.739 ( 11.713 11.713 11.713) 20.287 3.925 ( -2.995 -2.995 -2.995) 5.187 3.925 ( -2.995 -2.995 -2.995) 5.187 4.488 ( -3.294 -3.294 -3.294) 5.706 4.509 ( -1.683 -1.683 -1.683) 2.915 4.509 ( -1.683 -1.683 -1.683) 2.915 5.148 ( -1.684 -1.684 -1.684) 2.917 5.148 ( -1.684 -1.684 -1.684) 2.917 5.678 ( -0.233 -0.233 -0.233) 0.404 5.893 ( -0.050 -0.050 -0.050) 0.087 5.893 ( -0.050 -0.050 -0.050) 0.087 6.483 ( -11.178 -11.178 -11.178) 19.361 6.689 ( 6.345 6.345 6.345) 10.990 7.641 ( -0.043 -0.043 -0.043) 0.074 7.641 ( -0.043 -0.043 -0.043) 0.074 8.413 ( 4.479 4.479 4.479) 7.757 8.486 ( 4.290 4.290 4.290) 7.430 8.486 ( 4.290 4.290 4.290) 7.430 8.938 ( -0.451 -0.451 -0.451) 0.781 8.938 ( -0.451 -0.451 -0.451) 0.781 9.141 ( -2.186 -2.186 -2.186) 3.787 9.988 ( 21.797 21.797 21.797) 37.753 10.085 ( -15.956 -15.956 -15.956) 27.637 10.085 ( -15.956 -15.956 -15.956) 27.637 11.482 ( -3.299 -3.299 -3.299) 5.714 11.482 ( -3.299 -3.299 -3.299) 5.714 11.600 ( 15.529 15.529 15.529) 26.896 11.623 ( -6.681 -6.681 -6.681) 11.572 12.966 ( 3.091 3.091 3.091) 5.354 12.966 ( 3.091 3.091 3.091) 5.354 13.440 ( 9.384 9.384 9.384) 16.254 14.227 ( -5.327 -5.327 -5.327) 9.226 14.227 ( -5.327 -5.327 -5.327) 9.226 14.371 ( -4.956 -4.956 -4.956) 8.583 16.290 ( -8.862 -8.862 -8.862) 15.349 16.317 ( -8.645 -8.645 -8.645) 14.974 16.317 ( -8.645 -8.645 -8.645) 14.974 16.963 ( 1.640 1.640 1.640) 2.840 16.963 ( 1.640 1.640 1.640) 2.840 18.111 ( 7.060 7.060 7.060) 12.228 19.217 ( 1.909 1.909 1.909) 3.306 19.217 ( 1.909 1.909 1.909) 3.306 21.806 ( -0.340 -0.340 -0.340) 0.589 22.074 ( -0.754 -0.754 -0.754) 1.306 22.074 ( -0.754 -0.754 -0.754) 1.306 22.391 ( 6.726 6.726 6.726) 11.650 23.421 ( 5.704 5.704 5.704) 9.879 23.421 ( 5.704 5.704 5.704) 9.879 25.229 ( -3.057 -3.057 -3.057) 5.294 25.229 ( -3.057 -3.057 -3.057) 5.294 25.806 ( -4.081 -4.081 -4.081) 7.068 26.568 ( -6.006 -6.006 -6.006) 10.403 26.568 ( -6.006 -6.006 -6.006) 10.403 28.060 ( 14.068 14.068 14.068) 24.367 29.212 ( 5.963 5.963 5.963) 10.328 30.211 ( -4.117 -4.117 -4.117) 7.132 30.211 ( -4.117 -4.117 -4.117) 7.132 30.691 ( -0.041 -0.041 -0.041) 0.070 30.818 ( 1.777 1.777 1.777) 3.078 30.818 ( 1.777 1.777 1.777) 3.078 32.602 ( -0.175 -0.175 -0.175) 0.304 32.602 ( -0.175 -0.175 -0.175) 0.304 33.258 ( -2.773 -2.773 -2.773) 4.803 33.479 ( 1.885 1.885 1.885) 3.264 33.479 ( 1.885 1.885 1.885) 3.264 33.721 ( -2.729 -2.729 -2.729) 4.726======================= Grid point 103 (14/35) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.688 ( 14.155 19.316 19.316) 30.767 2.692 ( 14.513 21.039 21.039) 33.104 3.438 ( -1.748 -7.394 -7.394) 10.602 3.821 ( -1.558 -5.455 -5.455) 7.870 3.835 ( -4.464 -3.273 -3.273) 6.430 4.339 ( -4.149 -5.622 -5.622) 8.968 4.440 ( -4.029 -3.057 -3.057) 5.910 4.510 ( -9.145 0.382 0.382) 9.161 4.603 ( 20.828 29.241 29.241) 46.303 5.075 ( 5.158 -1.816 -1.816) 5.762 5.178 ( -1.700 1.877 1.877) 3.153 5.699 ( 1.864 2.047 2.047) 3.443 5.846 ( 4.649 -2.420 -2.420) 5.773 5.935 ( -2.838 1.895 1.895) 3.903 6.207 ( -2.687 -8.275 -8.275) 12.008 6.880 ( 7.664 8.603 8.603) 14.379 7.567 ( 4.883 -2.378 -2.378) 5.928 7.780 ( -11.562 6.329 6.329) 14.622 8.512 ( 5.291 0.040 0.040) 5.292 8.559 ( 1.993 3.002 3.002) 4.690 8.621 ( -2.550 4.050 4.050) 6.269 8.936 ( -0.947 1.935 1.935) 2.895 8.940 ( -2.567 -1.009 -1.009) 2.937 9.069 ( -1.620 -2.442 -2.442) 3.815 9.498 ( -3.635 -19.652 -19.652) 28.029 9.777 ( -25.063 -12.067 -12.067) 30.322 10.513 ( 18.491 15.892 15.892) 29.104 11.339 ( -0.034 -6.180 -6.180) 8.739 11.357 ( 2.543 -4.112 -4.112) 6.347 11.460 ( -6.016 -4.333 -4.333) 8.587 12.114 ( 7.329 18.894 18.894) 27.707 12.990 ( 0.455 -0.377 -0.377) 0.701 13.062 ( -5.282 2.561 2.561) 6.404 13.699 ( 11.147 9.342 9.342) 17.286 13.900 ( 18.678 -12.254 -12.254) 25.479 14.164 ( -1.039 -2.273 -2.273) 3.378 14.411 ( -11.895 5.442 5.442) 14.168 15.805 ( 2.655 -21.060 -21.060) 29.901 16.035 ( -8.075 -8.098 -8.098) 14.013 16.288 ( -31.121 -0.899 -0.899) 31.147 17.020 ( 3.367 1.505 1.505) 3.984 17.034 ( 2.831 3.052 3.052) 5.162 18.217 ( 22.001 1.576 1.576) 22.113 19.139 ( 3.823 -1.085 -1.085) 4.119 19.428 ( -9.944 6.337 6.337) 13.387 21.795 ( 1.491 -0.545 -0.545) 1.678 21.991 ( 1.948 -2.231 -2.231) 3.708 22.116 ( -5.120 0.934 0.934) 5.287 22.619 ( 3.934 9.444 9.444) 13.923 23.441 ( 6.672 -1.174 -1.174) 6.875 23.649 ( -7.834 6.819 6.819) 12.425 25.104 ( 6.849 -3.015 -3.015) 8.068 25.274 ( -3.643 4.424 4.424) 7.240 25.668 ( 2.796 -5.614 -5.614) 8.417 26.217 ( 4.472 -14.131 -14.131) 20.479 26.598 ( -26.758 2.127 2.127) 26.926 28.399 ( 21.594 10.506 10.506) 26.212 29.398 ( 4.721 7.491 7.491) 11.598 30.057 ( -0.905 -6.327 -6.327) 8.993 30.129 ( -5.927 -2.512 -2.512) 6.910 30.692 ( -1.053 0.099 0.099) 1.063 30.856 ( 1.734 1.117 1.117) 2.346 30.866 ( 0.751 1.491 1.491) 2.238 32.511 ( 6.818 -2.850 -2.850) 7.920 32.692 ( -4.313 3.261 3.261) 6.314 33.181 ( -5.616 -2.784 -2.784) 6.859 33.460 ( 6.736 -3.218 -3.218) 8.129 33.511 ( 2.779 0.956 0.956) 3.091 33.718 ( -10.375 2.070 2.070) 10.780======================= Grid point 104 (15/35) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( 10.640 4.955 4.955) 12.740 3.211 ( 8.928 16.810 16.810) 25.395 3.340 ( 0.604 1.421 1.421) 2.099 3.597 ( 3.129 -11.262 -11.262) 16.231 3.742 ( -2.342 -3.133 -3.133) 5.012 4.234 ( -10.890 -1.826 -1.826) 11.192 4.363 ( -7.438 -1.846 -1.846) 7.883 4.517 ( -10.012 0.088 0.088) 10.012 5.046 ( 7.574 -0.439 -0.439) 7.599 5.105 ( 7.347 6.679 6.679) 11.966 5.248 ( 2.525 3.098 3.098) 5.057 5.778 ( 8.298 -1.840 -1.840) 8.696 5.787 ( 3.041 3.305 3.305) 5.576 5.975 ( -1.922 0.731 0.731) 2.182 6.061 ( -1.586 -2.529 -2.529) 3.913 7.193 ( 11.451 12.894 12.894) 21.533 7.503 ( 5.506 -2.988 -2.988) 6.940 7.924 ( -11.411 3.268 3.268) 12.311 8.317 ( -2.993 -11.074 -11.074) 15.945 8.644 ( 2.524 2.011 2.011) 3.802 8.679 ( -3.805 0.561 0.561) 3.887 8.898 ( -2.157 -0.301 -0.301) 2.198 9.012 ( -2.326 -2.561 -2.561) 4.304 9.083 ( -13.126 8.200 8.200) 17.515 9.174 ( 0.403 -3.674 -3.674) 5.211 9.442 ( -16.290 -11.605 -11.605) 23.125 10.820 ( 18.183 6.116 6.116) 20.135 11.198 ( 1.702 -3.105 -3.105) 4.709 11.279 ( 0.154 -1.567 -1.567) 2.222 11.389 ( -6.047 -1.152 -1.152) 6.262 12.528 ( 5.018 9.337 9.337) 14.126 12.966 ( -4.797 -0.767 -0.767) 4.918 13.102 ( -9.538 0.604 0.604) 9.576 13.635 ( 26.014 -6.064 -6.064) 27.391 13.926 ( 11.429 6.867 6.867) 14.998 14.089 ( 7.078 -3.575 -3.575) 8.698 14.641 ( -4.699 10.239 10.239) 15.223 15.260 ( -0.514 -16.664 -16.664) 23.572 15.876 ( -10.447 -3.198 -3.198) 11.384 16.267 ( -33.653 -0.522 -0.522) 33.661 17.047 ( 4.674 0.524 0.524) 4.732 17.094 ( 2.516 1.171 1.171) 3.012 18.234 ( 27.769 0.081 0.081) 27.769 19.131 ( -1.452 0.081 0.081) 1.457 19.547 ( -8.525 2.261 2.261) 9.105 21.780 ( 3.050 -0.357 -0.357) 3.091 21.954 ( -0.135 -0.622 -0.622) 0.890 22.131 ( -4.580 0.244 0.244) 4.593 22.852 ( 5.739 6.097 6.097) 10.358 23.369 ( -1.430 -3.000 -3.000) 4.477 23.772 ( -13.363 2.215 2.215) 13.726 25.068 ( 11.286 -0.112 -0.112) 11.287 25.478 ( 0.927 10.249 10.249) 14.524 25.540 ( 5.342 -2.977 -2.977) 6.802 25.828 ( 3.733 -13.767 -13.767) 19.825 26.647 ( -30.599 1.089 1.089) 30.637 28.603 ( 25.801 4.030 4.030) 26.423 29.600 ( 3.600 6.564 6.564) 9.956 29.879 ( 0.360 -6.068 -6.068) 8.589 30.080 ( -6.047 -0.940 -0.940) 6.191 30.694 ( -1.619 0.055 0.055) 1.621 30.876 ( 1.550 0.399 0.399) 1.649 30.895 ( 0.462 0.555 0.555) 0.911 32.457 ( 6.775 -1.050 -1.050) 6.936 32.763 ( -1.356 1.634 1.634) 2.680 33.119 ( -8.689 -1.434 -1.434) 8.923 33.379 ( 5.572 -1.891 -1.891) 6.181 33.529 ( 2.611 0.337 0.337) 2.654 33.771 ( -10.517 1.191 1.191) 10.651======================= Grid point 109 (16/35) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 45.356 -0.000 -0.000) 45.356 1.278 ( 45.356 -0.000 -0.000) 45.356 2.161 ( 76.740 -0.000 -0.000) 76.740 3.916 ( -10.830 0.000 0.000) 10.830 4.001 ( -2.932 0.000 0.000) 2.932 4.001 ( -2.932 0.000 0.000) 2.932 4.546 ( 0.014 -0.000 -0.000) 0.014 4.546 ( 0.014 -0.000 -0.000) 0.014 4.576 ( 1.328 -0.000 -0.000) 1.328 5.215 ( -6.654 0.000 0.000) 6.654 5.288 ( -1.842 0.000 0.000) 1.842 5.721 ( -6.885 0.000 0.000) 6.885 5.910 ( 0.636 -0.000 -0.000) 0.636 5.910 ( 0.636 -0.000 -0.000) 0.636 6.414 ( 9.979 -0.000 -0.000) 9.979 6.873 ( -32.857 0.000 0.000) 32.857 7.739 ( 4.130 -0.000 -0.000) 4.130 7.739 ( 4.130 -0.000 -0.000) 4.130 8.289 ( 5.761 -0.000 -0.000) 5.761 8.330 ( 9.279 -0.000 -0.000) 9.279 8.330 ( 9.279 -0.000 -0.000) 9.279 8.991 ( 1.402 -0.000 -0.000) 1.402 8.991 ( 1.402 -0.000 -0.000) 1.402 9.064 ( 31.616 -0.000 -0.000) 31.616 9.147 ( -5.816 0.000 0.000) 5.816 10.602 ( -21.069 0.000 0.000) 21.069 10.820 ( -9.070 0.000 0.000) 9.070 10.820 ( -9.070 0.000 0.000) 9.070 11.531 ( 3.195 -0.000 -0.000) 3.195 11.714 ( 14.446 -0.000 -0.000) 14.446 11.844 ( -10.919 0.000 0.000) 10.919 12.850 ( 7.464 -0.000 -0.000) 7.464 12.850 ( 7.464 -0.000 -0.000) 7.464 13.099 ( 8.182 -0.000 -0.000) 8.182 14.313 ( -22.480 0.000 0.000) 22.480 14.313 ( -22.480 0.000 0.000) 22.480 14.800 ( 9.594 -0.000 -0.000) 9.594 16.438 ( 0.890 -0.000 -0.000) 0.890 16.438 ( 0.890 -0.000 -0.000) 0.890 16.694 ( -4.674 0.000 0.000) 4.674 17.150 ( -33.007 0.000 0.000) 33.007 17.245 ( 6.939 -0.000 -0.000) 6.939 17.245 ( 6.939 -0.000 -0.000) 6.939 18.862 ( -14.924 0.000 0.000) 14.924 19.555 ( 25.320 -0.000 -0.000) 25.320 21.818 ( -1.576 0.000 0.000) 1.576 21.961 ( -7.110 0.000 0.000) 7.110 22.237 ( 10.396 -0.000 -0.000) 10.396 22.237 ( 10.396 -0.000 -0.000) 10.396 23.127 ( 4.956 -0.000 -0.000) 4.956 23.319 ( 15.610 -0.000 -0.000) 15.610 25.295 ( -10.716 0.000 0.000) 10.716 25.295 ( -10.716 0.000 0.000) 10.716 26.042 ( -3.841 0.000 0.000) 3.841 26.893 ( 4.153 -0.000 -0.000) 4.153 26.893 ( 4.153 -0.000 -0.000) 4.153 27.285 ( -4.072 0.000 0.000) 4.072 29.038 ( 7.162 -0.000 -0.000) 7.162 30.355 ( -5.355 0.000 0.000) 5.355 30.355 ( -5.355 0.000 0.000) 5.355 30.707 ( 1.585 -0.000 -0.000) 1.585 30.745 ( 3.188 -0.000 -0.000) 3.188 30.745 ( 3.188 -0.000 -0.000) 3.188 32.505 ( -8.637 0.000 0.000) 8.637 32.672 ( 3.026 -0.000 -0.000) 3.026 33.381 ( 0.440 -0.000 -0.000) 0.440 33.392 ( 2.003 -0.000 -0.000) 2.003 33.392 ( 2.003 -0.000 -0.000) 2.003 33.842 ( 0.546 -0.000 -0.000) 0.546======================= Grid point 112 (17/35) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.107 ( 11.537 11.537 12.807) 20.741 3.124 ( 12.405 12.405 12.727) 21.674 3.345 ( -1.141 -1.141 0.007) 1.613 3.716 ( -1.201 -1.201 -5.404) 5.665 3.754 ( -3.707 -3.707 -1.878) 5.569 4.131 ( -4.820 -4.820 -12.432) 14.178 4.385 ( -8.485 -8.485 3.012) 12.372 4.396 ( -5.924 -5.924 2.151) 8.649 5.065 ( 9.781 9.781 -0.682) 13.849 5.171 ( 6.013 6.013 9.151) 12.492 5.216 ( 0.475 0.475 4.292) 4.344 5.786 ( 3.163 3.163 5.187) 6.850 5.881 ( 2.502 2.502 -1.236) 3.748 5.937 ( 0.674 0.674 1.741) 1.984 6.063 ( -1.415 -1.415 -7.782) 8.035 7.183 ( 13.333 13.333 16.236) 24.883 7.620 ( -0.368 -0.368 1.977) 2.044 7.753 ( -4.167 -4.167 7.734) 9.723 8.436 ( -6.782 -6.782 -15.535) 18.257 8.588 ( -2.959 -2.959 -0.311) 4.196 8.652 ( 2.469 2.469 2.636) 4.375 8.888 ( -2.356 -2.356 -2.163) 3.972 8.908 ( -1.714 -1.714 -1.850) 3.049 9.030 ( -4.713 -4.713 4.327) 7.947 9.227 ( -1.884 -1.884 -9.345) 9.718 9.387 ( -14.407 -14.407 -4.657) 20.900 10.907 ( 14.609 14.609 7.235) 21.890 11.249 ( 1.249 1.249 -6.757) 6.984 11.267 ( -1.589 -1.589 -6.532) 6.908 11.364 ( -5.443 -5.443 1.476) 7.837 12.495 ( 8.517 8.517 16.028) 20.049 12.941 ( -3.547 -3.547 -3.626) 6.190 13.021 ( -5.179 -5.179 3.303) 8.035 13.950 ( 11.562 11.562 2.935) 16.612 13.986 ( 13.100 13.100 -15.118) 23.912 14.076 ( 7.760 7.760 -4.696) 11.937 14.511 ( -3.550 -3.550 20.858) 21.454 15.448 ( -6.424 -6.424 -28.030) 29.466 15.827 ( -9.096 -9.096 -4.825) 13.738 15.960 ( -22.551 -22.551 9.921) 33.399 17.081 ( 3.293 3.293 -0.263) 4.664 17.096 ( 2.933 2.933 0.424) 4.169 18.479 ( 14.130 14.130 0.473) 19.988 19.037 ( 7.840 7.840 -18.371) 21.457 19.507 ( -12.065 -12.065 20.116) 26.378 21.812 ( 1.927 1.927 -0.461) 2.764 21.940 ( 1.949 1.949 -6.673) 7.220 22.111 ( -5.986 -5.986 7.043) 11.012 22.845 ( 6.906 6.906 11.761) 15.287 23.415 ( -1.308 -1.308 -8.627) 8.823 23.625 ( -7.678 -7.678 6.654) 12.734 25.179 ( 9.561 9.561 -3.163) 13.886 25.365 ( 4.819 4.819 7.033) 9.794 25.609 ( 1.218 1.218 -5.700) 5.955 26.083 ( -8.043 -8.043 -7.357) 13.547 26.302 ( -14.030 -14.030 0.804) 19.857 28.758 ( 16.279 16.279 3.106) 23.230 29.577 ( 5.581 5.581 8.070) 11.288 29.951 ( -3.046 -3.046 -6.539) 7.830 30.020 ( -4.184 -4.184 -1.652) 6.143 30.682 ( -0.927 -0.927 0.451) 1.386 30.887 ( 0.976 0.976 0.577) 1.497 30.892 ( 0.763 0.763 0.735) 1.305 32.517 ( 6.304 6.304 -8.123) 12.061 32.743 ( -2.378 -2.378 9.640) 10.210 33.061 ( -5.882 -5.882 -2.914) 8.814 33.471 ( 2.449 2.449 -4.327) 5.542 33.541 ( 0.282 0.282 -0.701) 0.806 33.652 ( -5.347 -5.347 5.377) 9.279======================= Grid point 113 (18/35) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.207 ( 9.914 0.558 -0.558) 9.945 3.321 ( -0.669 4.666 -4.666) 6.633 3.466 ( -0.457 -4.343 4.343) 6.159 3.616 ( 13.010 -2.056 2.056) 13.330 3.721 ( 1.455 -1.126 1.126) 2.157 3.983 ( -12.024 7.704 -7.704) 16.225 4.322 ( -7.169 -8.283 8.283) 13.734 4.388 ( -11.188 -3.370 3.370) 12.161 5.098 ( 7.072 5.470 -5.470) 10.481 5.243 ( 4.055 -2.630 2.630) 5.503 5.295 ( 0.674 0.727 -0.727) 1.230 5.860 ( 1.980 -1.188 1.188) 2.596 5.884 ( 7.737 0.441 -0.441) 7.762 5.970 ( 0.003 -0.197 0.197) 0.278 5.989 ( -1.345 4.227 -4.227) 6.127 7.550 ( 18.840 -2.841 2.841) 19.264 7.600 ( 5.835 -5.345 5.345) 9.549 7.812 ( -9.594 -3.226 3.226) 10.623 8.093 ( -11.696 5.206 -5.206) 13.820 8.555 ( -13.501 -0.211 0.211) 13.505 8.690 ( 3.084 1.820 -1.820) 4.017 8.873 ( -2.034 -0.399 0.399) 2.111 8.875 ( -4.112 1.341 -1.341) 4.528 9.034 ( -10.607 -9.120 9.120) 16.699 9.180 ( 1.724 -0.687 0.687) 1.979 9.246 ( -4.687 0.667 -0.667) 4.781 11.064 ( 14.530 4.551 -4.551) 15.891 11.192 ( 2.347 1.852 -1.852) 3.517 11.222 ( -0.108 4.217 -4.217) 5.965 11.337 ( -5.042 -3.772 3.772) 7.340 12.688 ( 5.147 -3.931 3.931) 7.576 12.861 ( -7.754 1.134 -1.134) 7.918 13.010 ( -8.140 -4.840 4.840) 10.635 13.934 ( 26.680 7.516 -7.516) 28.719 14.063 ( 10.192 10.136 -10.136) 17.588 14.137 ( 8.782 4.549 -4.549) 10.886 14.767 ( 3.063 -5.800 5.800) 8.756 15.056 ( -6.702 4.139 -4.139) 8.898 15.723 ( -9.604 -2.607 2.607) 10.287 15.885 ( -31.078 -13.435 13.435) 36.426 17.101 ( 4.388 1.838 -1.838) 5.100 17.120 ( 2.382 2.153 -2.153) 3.866 18.589 ( 25.869 2.667 -2.667) 26.142 18.951 ( -2.023 16.955 -16.955) 24.063 19.567 ( -12.749 -16.145 16.145) 26.151 21.826 ( 4.594 0.849 -0.849) 4.749 21.902 ( -0.283 4.568 -4.568) 6.466 22.119 ( -6.208 -6.734 6.734) 11.368 23.037 ( 9.969 -3.343 3.343) 11.034 23.277 ( -5.578 2.862 -2.862) 6.892 23.619 ( -13.515 -5.407 5.407) 15.528 25.241 ( 16.616 3.792 -3.792) 17.460 25.446 ( 3.565 13.523 -13.523) 19.454 25.647 ( 1.661 -2.400 2.400) 3.779 25.866 ( 3.595 -13.959 13.959) 20.065 26.241 ( -27.950 0.397 -0.397) 27.956 28.895 ( 18.545 6.973 -6.973) 21.004 29.724 ( 5.037 -1.406 1.406) 5.416 29.829 ( -0.679 0.592 -0.592) 1.078 29.983 ( -6.125 -0.066 0.066) 6.126 30.679 ( -1.324 -0.715 0.715) 1.666 30.897 ( 1.060 0.090 -0.090) 1.067 30.903 ( 0.390 0.226 -0.226) 0.504 32.501 ( 7.866 6.817 -6.817) 12.442 32.818 ( 0.497 -6.392 6.392) 9.053 32.978 ( -10.277 -0.689 0.689) 10.323 33.446 ( 5.085 -0.797 0.797) 5.208 33.536 ( -1.207 2.044 -2.044) 3.132 33.664 ( -7.515 -3.240 3.240) 8.802======================= Grid point 118 (19/35) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 39.610 -10.799 -0.000) 41.056 1.962 ( 38.684 -12.467 -0.000) 40.644 3.324 ( 64.139 -22.703 -0.000) 68.038 3.696 ( -13.404 6.584 0.000) 14.933 3.940 ( -4.751 1.535 0.000) 4.992 3.965 ( -3.707 -1.389 0.000) 3.958 4.499 ( -1.731 5.468 0.000) 5.736 4.553 ( 1.125 0.103 -0.000) 1.130 4.620 ( 2.989 -1.979 -0.000) 3.585 5.101 ( -6.085 2.810 0.000) 6.703 5.248 ( -1.427 1.729 0.000) 2.242 5.656 ( -2.260 -0.164 0.000) 2.266 5.887 ( -0.241 3.515 0.000) 3.523 5.929 ( -0.033 -2.044 -0.000) 2.044 6.442 ( -24.299 4.378 0.000) 24.690 6.584 ( 8.534 -5.003 -0.000) 9.893 7.732 ( 6.579 9.781 0.000) 11.788 7.836 ( 5.610 -4.274 -0.000) 7.052 8.375 ( 6.055 -0.719 -0.000) 6.097 8.470 ( 10.445 0.435 -0.000) 10.454 8.509 ( 11.752 -4.100 -0.000) 12.447 8.964 ( 0.533 4.441 0.000) 4.473 9.019 ( 2.500 -0.326 -0.000) 2.521 9.087 ( -5.219 -1.611 0.000) 5.462 9.567 ( 17.681 -18.528 -0.000) 25.611 10.145 ( -20.493 17.676 0.000) 27.063 10.618 ( -11.457 9.083 0.000) 14.620 10.822 ( -10.744 -15.674 -0.000) 19.003 11.573 ( 0.803 -0.181 -0.000) 0.823 11.652 ( -10.454 6.001 0.000) 12.054 11.932 ( 20.905 1.179 -0.000) 20.938 12.945 ( 7.263 1.195 -0.000) 7.361 13.002 ( 8.109 -5.748 -0.000) 9.939 13.261 ( 7.595 -6.281 -0.000) 9.856 13.930 ( -25.480 6.029 0.000) 26.184 14.021 ( -26.226 -6.979 0.000) 27.138 14.867 ( 10.986 10.199 -0.000) 14.990 16.293 ( -13.618 15.559 0.000) 20.677 16.375 ( -4.105 8.863 0.000) 9.767 16.681 ( -14.906 -10.048 0.000) 17.976 16.722 ( -1.741 -3.148 -0.000) 3.597 17.308 ( 7.737 6.486 -0.000) 10.096 17.481 ( -0.765 -13.274 -0.000) 13.296 18.710 ( -18.114 -11.918 0.000) 21.683 19.828 ( 25.323 9.486 -0.000) 27.041 21.788 ( -2.545 0.172 0.000) 2.550 21.885 ( -6.842 -2.625 0.000) 7.329 22.354 ( 13.827 7.176 -0.000) 15.578 22.431 ( 13.956 -3.310 -0.000) 14.343 23.236 ( 7.239 -2.908 -0.000) 7.802 23.562 ( 16.299 -3.278 -0.000) 16.625 25.121 ( -11.862 1.811 0.000) 11.999 25.178 ( -12.558 -5.846 0.000) 13.852 25.908 ( -4.151 9.903 0.000) 10.738 26.676 ( -1.203 24.551 0.000) 24.580 26.993 ( 2.857 -6.900 -0.000) 7.468 27.465 ( -2.697 -22.273 -0.000) 22.435 29.177 ( 9.890 -2.992 -0.000) 10.333 30.245 ( -5.825 4.597 0.000) 7.420 30.271 ( -5.454 0.963 0.000) 5.538 30.724 ( 1.990 0.871 -0.000) 2.172 30.791 ( 2.617 -0.706 -0.000) 2.710 30.801 ( 2.608 -1.816 -0.000) 3.178 32.386 ( -10.554 -1.978 0.000) 10.737 32.735 ( 4.736 -1.030 -0.000) 4.847 33.348 ( -0.274 3.145 0.000) 3.157 33.427 ( 3.127 0.181 -0.000) 3.132 33.433 ( 1.917 0.699 -0.000) 2.041 33.847 ( 1.096 -0.136 -0.000) 1.105======================= Grid point 128 (20/35) =======================q-point: (-0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( 27.147 -11.323 -0.000) 29.413 2.614 ( 31.006 -13.541 -0.000) 33.834 3.433 ( -8.908 6.574 0.000) 11.071 3.804 ( -7.364 5.383 0.000) 9.122 3.921 ( -2.693 0.369 0.000) 2.719 4.362 ( -0.855 1.802 0.000) 1.995 4.393 ( 32.027 -18.637 -0.000) 37.055 4.577 ( 3.063 0.249 -0.000) 3.073 4.690 ( 4.059 -0.374 -0.000) 4.076 5.014 ( 1.720 2.949 0.000) 3.414 5.218 ( 0.601 1.686 0.000) 1.790 5.667 ( 2.642 -1.028 -0.000) 2.835 5.815 ( -0.246 6.014 0.000) 6.019 5.956 ( -2.302 -3.498 -0.000) 4.187 6.130 ( -13.484 2.366 0.000) 13.690 6.785 ( 10.899 -6.658 -0.000) 12.772 7.682 ( 8.342 12.250 0.000) 14.820 7.985 ( 5.024 -5.825 -0.000) 7.692 8.446 ( 1.821 0.339 -0.000) 1.853 8.581 ( 7.024 1.346 -0.000) 7.152 8.707 ( 7.299 -1.913 -0.000) 7.546 8.943 ( -0.171 -2.090 -0.000) 2.097 9.039 ( -0.405 1.956 0.000) 1.998 9.083 ( 7.770 -1.310 -0.000) 7.880 9.490 ( -23.701 14.862 0.000) 27.976 10.121 ( 10.665 -16.520 -0.000) 19.664 10.273 ( -13.027 16.650 0.000) 21.140 10.911 ( -10.057 -17.585 -0.000) 20.258 11.403 ( -12.262 5.889 0.000) 13.603 11.569 ( 3.171 4.698 0.000) 5.668 12.267 ( 25.126 -2.911 -0.000) 25.294 13.004 ( 2.989 0.745 -0.000) 3.081 13.191 ( 6.342 -6.245 -0.000) 8.900 13.411 ( -5.914 -5.722 0.000) 8.228 13.534 ( -14.126 4.148 0.000) 14.723 13.823 ( -21.257 -12.606 0.000) 24.714 14.850 ( 10.822 12.585 0.000) 16.598 15.771 ( -21.121 18.684 0.000) 28.199 16.196 ( -3.101 8.682 0.000) 9.220 16.716 ( -6.398 -12.475 -0.000) 14.020 16.804 ( -3.509 -9.109 -0.000) 9.762 17.276 ( 6.400 11.348 0.000) 13.028 17.588 ( -0.060 -4.540 -0.000) 4.540 18.691 ( -18.337 -20.313 -0.000) 27.365 19.998 ( 23.232 13.979 -0.000) 27.114 21.747 ( -2.942 0.095 0.000) 2.943 21.844 ( -6.269 -4.407 0.000) 7.663 22.421 ( 15.155 11.748 -0.000) 19.175 22.675 ( 14.132 -3.055 -0.000) 14.459 23.368 ( 6.796 -1.307 -0.000) 6.921 23.828 ( 13.179 -5.172 -0.000) 14.157 24.949 ( -10.419 0.618 0.000) 10.437 25.121 ( -11.660 -10.410 0.000) 15.631 25.716 ( -1.085 11.000 0.000) 11.053 26.302 ( -3.637 24.216 0.000) 24.488 27.128 ( -0.247 -9.241 -0.000) 9.244 27.705 ( -4.167 -18.790 -0.000) 19.247 29.377 ( 11.217 -4.820 -0.000) 12.209 30.081 ( -6.063 7.369 0.000) 9.542 30.192 ( -4.457 0.450 0.000) 4.479 30.738 ( 1.924 1.019 -0.000) 2.177 30.830 ( 1.657 -0.600 -0.000) 1.763 30.854 ( 1.595 -1.630 -0.000) 2.281 32.283 ( -10.473 -4.237 0.000) 11.298 32.816 ( 6.099 0.422 -0.000) 6.114 33.299 ( -1.195 2.199 0.000) 2.502 33.409 ( 1.588 5.443 0.000) 5.670 33.468 ( 3.706 1.032 -0.000) 3.847 33.885 ( 1.307 -2.399 -0.000) 2.732======================= Grid point 129 (21/35) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 32.579 -6.762 6.762) 33.953 2.515 ( 32.821 -7.386 7.386) 34.443 3.489 ( -11.784 3.076 -3.076) 12.561 3.852 ( -4.983 2.434 -2.434) 6.057 3.896 ( -2.689 -0.428 0.428) 2.757 4.230 ( 43.482 -12.881 12.881) 47.143 4.426 ( -4.041 6.156 -6.156) 9.598 4.566 ( 2.485 0.637 -0.637) 2.644 4.675 ( 4.037 -0.830 0.830) 4.204 5.041 ( 0.457 0.916 -0.916) 1.374 5.231 ( 0.324 0.758 -0.758) 1.120 5.663 ( 2.778 -1.156 1.156) 3.223 5.886 ( -0.529 1.354 -1.354) 1.987 5.903 ( -1.740 0.030 -0.030) 1.740 6.151 ( -15.506 1.972 -1.972) 15.755 6.741 ( 10.577 -4.115 4.115) 12.072 7.823 ( 7.139 4.083 -4.083) 9.182 7.888 ( 6.668 -0.014 0.014) 6.668 8.451 ( 3.120 -0.959 0.959) 3.402 8.614 ( 10.451 2.041 -2.041) 10.842 8.663 ( 9.897 -0.280 0.280) 9.904 8.938 ( -2.605 0.788 -0.788) 2.833 9.026 ( 3.362 2.289 -2.289) 4.667 9.093 ( 3.524 -0.874 0.874) 3.734 9.595 ( -22.036 5.801 -5.801) 23.514 10.032 ( 7.649 -9.595 9.595) 15.577 10.349 ( -9.932 12.888 -12.888) 20.757 10.796 ( -12.302 -13.839 13.839) 23.117 11.432 ( -14.576 1.664 -1.664) 14.765 11.618 ( 3.443 3.664 -3.664) 6.221 12.244 ( 26.863 0.726 -0.726) 26.883 13.056 ( 4.003 -0.466 0.466) 4.057 13.078 ( 3.466 -2.444 2.444) 4.895 13.383 ( 1.311 -5.722 5.722) 8.198 13.621 ( -24.342 -1.023 1.023) 24.385 13.685 ( -19.116 -4.918 4.918) 20.342 14.948 ( 9.878 8.183 -8.183) 15.215 15.920 ( -23.831 10.851 -10.851) 28.345 16.327 ( -8.509 7.069 -7.069) 13.128 16.493 ( -0.109 -4.346 4.346) 6.147 16.774 ( -4.987 -9.027 9.027) 13.706 17.275 ( 5.969 11.968 -11.968) 17.947 17.665 ( 2.118 -12.653 12.653) 18.020 18.521 ( -17.728 -9.021 9.021) 21.841 20.098 ( 22.361 7.421 -7.421) 24.701 21.751 ( -3.265 -0.409 0.409) 3.316 21.811 ( -6.082 -1.909 1.909) 6.654 22.519 ( 15.735 7.235 -7.235) 18.769 22.645 ( 17.241 -1.146 1.146) 17.317 23.364 ( 7.347 -2.239 2.239) 8.000 23.780 ( 14.837 -0.659 0.659) 14.866 24.953 ( -11.988 -0.096 0.096) 11.989 25.047 ( -12.048 -5.859 5.859) 14.622 25.801 ( -2.966 7.011 -7.011) 10.349 26.605 ( -3.249 12.106 -12.106) 17.426 26.872 ( -0.702 5.793 -5.793) 8.222 27.625 ( -4.950 -22.591 22.591) 32.330 29.343 ( 11.744 -2.463 2.463) 12.249 30.151 ( -5.633 3.130 -3.130) 7.164 30.177 ( -5.328 1.509 -1.509) 5.739 30.745 ( 2.220 1.103 -1.103) 2.713 30.831 ( 1.905 -0.728 0.728) 2.165 30.838 ( 1.872 -1.000 1.000) 2.347 32.253 ( -11.424 -2.804 2.804) 12.093 32.815 ( 6.254 -0.661 0.661) 6.323 33.313 ( -1.280 3.045 -3.045) 4.493 33.438 ( 3.428 2.351 -2.351) 4.775 33.504 ( 3.173 -0.972 0.972) 3.458 33.851 ( 1.236 0.665 -0.665) 1.553======================= Grid point 138 (22/35) =======================q-point: (-0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.895 ( 5.674 -1.717 -0.000) 5.928 3.151 ( 21.227 -11.989 -0.000) 24.379 3.366 ( 5.228 0.816 -0.000) 5.292 3.570 ( -9.304 11.511 0.000) 14.801 3.855 ( 1.469 7.020 0.000) 7.172 4.244 ( -8.582 -3.423 0.000) 9.239 4.635 ( 4.385 -0.906 -0.000) 4.477 4.705 ( 2.649 4.456 0.000) 5.184 4.767 ( -3.162 -6.788 -0.000) 7.488 5.130 ( 10.499 1.695 -0.000) 10.635 5.223 ( 3.125 1.002 -0.000) 3.282 5.699 ( 3.400 4.970 0.000) 6.022 5.806 ( 7.626 1.322 -0.000) 7.740 5.944 ( -6.998 -5.921 0.000) 9.167 6.019 ( -2.875 0.256 0.000) 2.886 7.088 ( 15.892 -7.514 -0.000) 17.579 7.612 ( 8.132 14.962 0.000) 17.029 8.109 ( 3.897 -3.289 -0.000) 5.100 8.334 ( -8.909 7.368 0.000) 11.561 8.624 ( 0.906 -0.246 -0.000) 0.939 8.751 ( 2.845 2.166 -0.000) 3.576 8.934 ( -0.352 0.478 0.000) 0.594 9.002 ( -4.139 2.890 0.000) 5.048 9.142 ( -5.833 0.683 0.000) 5.873 9.365 ( 18.962 -10.331 -0.000) 21.594 9.834 ( -12.441 20.887 0.000) 24.311 10.396 ( -0.590 -11.569 -0.000) 11.584 11.024 ( -5.058 -14.322 -0.000) 15.189 11.182 ( -12.319 1.353 0.000) 12.393 11.552 ( 3.774 4.591 0.000) 5.943 12.612 ( 18.851 0.617 -0.000) 18.861 13.018 ( -3.601 -4.746 -0.000) 5.957 13.169 ( -10.267 6.120 0.000) 11.952 13.314 ( 3.489 -1.270 -0.000) 3.713 13.529 ( -12.420 -13.516 -0.000) 18.356 13.789 ( -8.437 -9.707 -0.000) 12.861 14.858 ( 9.547 6.409 -0.000) 11.499 15.318 ( -9.510 13.071 0.000) 16.165 16.081 ( 0.265 4.795 0.000) 4.802 16.785 ( -5.326 -8.386 -0.000) 9.934 16.856 ( -6.375 -8.284 -0.000) 10.453 17.211 ( 5.621 8.847 0.000) 10.482 17.624 ( 0.279 -0.900 -0.000) 0.942 18.724 ( -18.923 -20.707 -0.000) 28.051 20.081 ( 20.298 17.229 -0.000) 26.624 21.715 ( -2.193 -0.834 0.000) 2.346 21.830 ( -5.868 -5.398 0.000) 7.973 22.451 ( 15.202 14.104 -0.000) 20.737 22.855 ( 9.570 1.874 -0.000) 9.752 23.438 ( 3.971 1.697 -0.000) 4.318 24.019 ( 6.769 -1.383 -0.000) 6.909 24.838 ( -7.313 -2.781 0.000) 7.824 25.130 ( -11.884 -13.122 -0.000) 17.704 25.628 ( 4.576 5.033 0.000) 6.803 25.972 ( 2.892 20.123 0.000) 20.330 27.216 ( -4.221 -7.727 -0.000) 8.804 27.844 ( -8.425 -13.827 -0.000) 16.191 29.592 ( 9.844 -3.937 -0.000) 10.602 29.893 ( -4.999 7.664 0.000) 9.150 30.145 ( -2.808 -0.971 0.000) 2.971 30.747 ( 1.611 1.256 -0.000) 2.042 30.851 ( 0.716 -0.074 -0.000) 0.719 30.885 ( 0.411 -0.756 -0.000) 0.861 32.224 ( -9.024 -6.759 0.000) 11.274 32.875 ( 6.094 3.592 -0.000) 7.074 33.265 ( -1.461 -0.108 0.000) 1.465 33.358 ( 3.356 5.902 0.000) 6.789 33.495 ( 3.372 2.317 -0.000) 4.091 33.926 ( -0.066 -1.902 -0.000) 1.903======================= Grid point 139 (23/35) =======================q-point: (-0.33 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.913 ( 14.205 -1.875 5.756) 15.441 3.012 ( 21.303 -10.110 2.002) 23.665 3.371 ( 1.473 -0.332 0.520) 1.598 3.721 ( -3.694 8.700 0.799) 9.485 3.870 ( -0.606 -0.783 -3.845) 3.970 4.241 ( -7.014 8.264 -5.815) 12.300 4.603 ( 3.706 -1.107 -1.346) 4.096 4.694 ( 2.106 -7.189 5.342) 9.201 4.732 ( 3.878 1.053 -1.956) 4.469 5.154 ( 12.985 0.373 0.809) 13.015 5.236 ( 1.900 0.761 -0.220) 2.058 5.771 ( 8.337 0.688 2.819) 8.827 5.840 ( 3.710 2.379 1.020) 4.524 5.878 ( -5.898 -2.165 -1.130) 6.384 6.008 ( -3.686 -0.314 -1.191) 3.887 7.018 ( 19.453 -7.875 5.329) 21.652 7.810 ( 7.931 11.013 1.310) 13.635 8.019 ( 5.421 -4.483 -3.783) 7.987 8.440 ( -5.370 3.871 2.200) 6.976 8.635 ( 0.526 6.601 -4.299) 7.895 8.758 ( 3.908 0.816 -2.844) 4.902 8.924 ( -0.270 -0.760 -0.684) 1.058 9.023 ( -0.370 4.718 -5.032) 6.907 9.169 ( -9.143 5.417 -1.907) 10.797 9.238 ( 10.380 -3.284 -3.383) 11.401 10.005 ( -9.011 18.250 -13.016) 24.159 10.316 ( 2.166 -15.346 13.569) 20.599 10.850 ( -8.777 -15.786 8.072) 19.783 11.199 ( -15.051 1.937 -1.557) 15.255 11.602 ( 3.970 5.346 -2.859) 7.246 12.617 ( 25.004 -0.728 0.881) 25.030 13.022 ( -7.155 -1.644 6.485) 9.796 13.146 ( -9.470 -8.126 -2.041) 12.645 13.329 ( -5.876 3.121 5.139) 8.407 13.434 ( -10.040 -7.434 2.077) 12.664 13.671 ( -5.081 -10.874 5.080) 13.033 14.948 ( 8.848 9.013 -4.151) 13.295 15.461 ( -17.961 11.388 -5.278) 21.912 16.129 ( -2.532 8.338 -5.528) 10.319 16.618 ( 0.615 -10.081 -0.870) 10.137 16.809 ( -7.695 -8.161 8.340) 13.978 17.172 ( 2.956 11.037 -16.933) 20.427 17.804 ( 1.665 -4.214 19.322) 19.846 18.470 ( -16.509 -16.360 2.442) 23.370 20.246 ( 19.182 12.150 -5.813) 23.439 21.714 ( -3.107 -0.872 1.342) 3.495 21.771 ( -5.424 -3.668 0.887) 6.608 22.595 ( 16.263 12.897 -7.222) 21.977 22.894 ( 16.590 0.471 2.273) 16.752 23.449 ( 3.997 1.629 -1.273) 4.501 23.966 ( 10.462 -0.283 -3.672) 11.091 24.827 ( -9.191 -3.079 3.160) 10.195 24.999 ( -12.009 -10.330 5.012) 16.615 25.697 ( 2.639 6.046 -2.645) 7.107 26.298 ( -1.300 22.291 3.316) 22.574 26.879 ( -4.388 -7.417 -22.866) 24.436 27.831 ( -9.539 -20.745 24.123) 33.215 29.550 ( 11.885 -3.599 1.850) 12.554 30.000 ( -5.281 7.407 -0.488) 9.110 30.108 ( -4.141 -0.656 -3.339) 5.359 30.756 ( 2.083 1.512 -1.296) 2.882 30.857 ( 1.039 -0.236 1.013) 1.470 30.873 ( 0.866 -1.116 0.255) 1.436 32.160 ( -10.548 -5.676 3.243) 12.410 32.910 ( 6.978 0.632 0.758) 7.047 33.248 ( -2.215 2.479 -3.761) 5.020 33.442 ( 4.317 5.019 -0.630) 6.650 33.538 ( 3.267 1.990 0.945) 3.940 33.872 ( 0.888 -1.158 -2.959) 3.299======================= Grid point 147 (24/35) =======================q-point: (-0.44 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.980 ( 2.471 2.471 5.231) 6.291 3.273 ( -2.653 -2.653 -3.455) 5.101 3.487 ( -0.056 -0.056 2.956) 2.957 3.546 ( 11.260 11.260 4.701) 16.604 3.896 ( 6.619 6.619 -4.217) 10.266 4.096 ( -4.230 -4.230 -7.063) 9.255 4.652 ( 0.854 0.854 -0.760) 1.427 4.721 ( -0.003 -0.003 0.858) 0.858 4.748 ( -1.023 -1.023 -0.143) 1.454 5.223 ( 2.913 2.913 0.945) 4.227 5.257 ( 1.936 1.936 -1.048) 2.932 5.777 ( 3.595 3.595 2.446) 5.641 5.840 ( -3.996 -3.996 0.519) 5.675 5.935 ( 5.328 5.328 0.106) 7.536 5.986 ( -0.806 -0.806 -0.752) 1.366 7.327 ( 8.645 8.645 8.334) 14.796 7.756 ( 10.782 10.782 1.200) 15.296 8.138 ( 2.728 2.728 -4.364) 5.826 8.221 ( -2.275 -2.275 -0.310) 3.233 8.573 ( -3.349 -3.349 -6.505) 8.046 8.777 ( 2.164 2.164 -2.292) 3.823 8.936 ( 0.675 0.675 -0.842) 1.273 8.943 ( 0.535 0.535 -2.467) 2.580 9.119 ( 1.491 1.491 1.378) 2.519 9.477 ( 1.516 1.516 -10.675) 10.889 9.699 ( 9.513 9.513 -8.535) 15.933 10.441 ( -8.070 -8.070 13.782) 17.893 10.971 ( -11.080 -11.080 1.919) 15.787 11.010 ( -6.927 -6.927 1.465) 9.905 11.592 ( 4.885 4.885 -2.776) 7.445 12.812 ( 6.384 6.384 1.997) 9.247 13.008 ( -8.117 -8.117 14.617) 18.586 13.078 ( -3.770 -3.770 -4.626) 7.059 13.284 ( -0.996 -0.996 -1.415) 1.996 13.424 ( -7.918 -7.918 3.304) 11.675 13.721 ( -8.609 -8.609 5.291) 13.275 14.959 ( 6.912 6.912 -0.739) 9.802 15.228 ( 0.476 0.476 -5.196) 5.240 16.052 ( 2.951 2.951 -6.756) 7.941 16.726 ( -2.498 -2.498 1.332) 3.775 16.787 ( -9.218 -9.218 6.445) 14.543 17.105 ( 5.143 5.143 -18.712) 20.076 17.841 ( 0.195 0.195 21.778) 21.780 18.475 ( -17.121 -17.121 -0.360) 24.215 20.293 ( 15.825 15.825 -5.247) 22.987 21.698 ( -2.014 -2.014 1.681) 3.307 21.760 ( -4.761 -4.761 0.520) 6.753 22.617 ( 15.476 15.476 -7.489) 23.132 23.019 ( 9.150 9.150 5.214) 13.951 23.454 ( 2.627 2.627 -5.125) 6.330 24.043 ( 4.267 4.267 -6.325) 8.742 24.788 ( -6.121 -6.121 6.146) 10.616 24.987 ( -12.213 -12.213 2.970) 17.525 25.697 ( 4.354 4.354 1.090) 6.254 26.101 ( 11.840 11.840 3.875) 17.187 26.903 ( -7.267 -7.267 -25.152) 27.171 27.910 ( -15.462 -15.462 24.969) 33.190 29.709 ( 3.987 3.987 1.634) 5.871 29.861 ( 1.646 1.646 -0.052) 2.329 30.084 ( -2.388 -2.388 -3.515) 4.875 30.760 ( 1.802 1.802 -1.383) 2.900 30.866 ( 0.288 0.288 0.981) 1.062 30.887 ( -0.231 -0.231 0.149) 0.359 32.126 ( -8.438 -8.438 3.375) 12.401 32.961 ( 4.916 4.916 1.386) 7.088 33.209 ( -0.956 -0.956 -4.707) 4.897 33.433 ( 5.735 5.735 1.024) 8.175 33.547 ( 2.915 2.915 -0.134) 4.124 33.889 ( -0.567 -0.567 -3.683) 3.769======================= Grid point 149 (25/35) =======================q-point: (-0.33 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( 3.022 -2.411 2.411) 4.557 3.165 ( 1.171 -0.943 0.943) 1.774 3.496 ( 5.747 -4.380 4.380) 8.449 3.773 ( 9.422 3.186 -3.186) 10.443 3.817 ( 4.771 2.636 -2.636) 6.055 4.028 ( -7.516 9.853 -9.853) 15.832 4.656 ( 5.558 0.632 -0.632) 5.630 4.728 ( 1.989 4.383 -4.383) 6.509 4.735 ( -5.479 -6.263 6.263) 10.415 5.251 ( 1.167 0.478 -0.478) 1.349 5.254 ( 2.780 1.140 -1.140) 3.214 5.813 ( -1.892 -1.234 1.234) 2.574 5.826 ( -0.683 0.538 -0.538) 1.022 5.974 ( 9.009 1.674 -1.674) 9.315 5.977 ( -0.386 -0.182 0.182) 0.464 7.463 ( 27.441 -8.902 8.902) 30.191 7.864 ( 0.582 5.405 -5.405) 7.666 8.075 ( 8.555 1.047 -1.047) 8.683 8.333 ( -13.043 15.166 -15.166) 25.102 8.386 ( -8.758 -1.721 1.721) 9.090 8.766 ( 2.603 2.074 -2.074) 3.921 8.930 ( 1.656 0.603 -0.603) 1.862 8.947 ( 0.428 2.349 -2.349) 3.349 9.190 ( 8.146 0.259 -0.259) 8.154 9.324 ( 6.185 3.948 -3.948) 8.333 9.740 ( 1.487 15.208 -15.208) 21.558 10.491 ( -6.196 -13.914 13.914) 20.630 10.874 ( -6.028 -10.338 10.338) 15.813 10.993 ( -13.901 -1.824 1.824) 14.138 11.607 ( 4.742 4.753 -4.753) 8.226 12.876 ( 4.939 -2.008 2.008) 5.697 12.970 ( -10.207 -3.850 3.850) 11.569 13.102 ( -1.674 -13.254 13.254) 18.819 13.318 ( -11.005 -3.715 3.715) 12.195 13.342 ( 2.636 4.159 -4.159) 6.445 13.695 ( -7.582 -8.775 8.775) 14.543 15.014 ( 8.983 3.065 -3.065) 9.974 15.187 ( -8.452 6.729 -6.729) 12.728 16.018 ( 1.249 6.757 -6.757) 9.638 16.711 ( 3.994 -7.041 7.041) 10.729 16.807 ( -9.821 -8.371 8.371) 15.381 16.975 ( 2.928 15.672 -15.672) 22.357 18.054 ( 1.430 -12.866 12.866) 18.252 18.301 ( -17.001 -6.321 6.321) 19.208 20.365 ( 14.927 10.582 -10.582) 21.137 21.702 ( -2.488 -2.384 2.384) 4.190 21.724 ( -4.465 -2.269 2.269) 5.499 22.669 ( 14.953 12.546 -12.546) 23.204 23.158 ( 16.954 -0.557 0.557) 16.972 23.406 ( -1.654 6.850 -6.850) 9.827 24.018 ( 7.282 5.789 -5.789) 10.957 24.807 ( -5.713 -8.263 8.263) 13.008 24.906 ( -13.391 -6.914 6.914) 16.581 25.742 ( 5.723 0.923 -0.923) 5.870 26.324 ( 5.898 4.881 -4.881) 9.080 26.554 ( -6.184 9.607 -9.607) 14.928 27.983 ( -16.325 -22.557 22.557) 35.835 29.736 ( 10.529 -2.280 2.280) 11.012 29.909 ( -4.239 4.386 -4.386) 7.513 30.018 ( -2.886 1.118 -1.118) 3.291 30.762 ( 2.010 1.813 -1.813) 3.258 30.878 ( 0.357 -0.496 0.496) 0.787 30.884 ( 0.039 -0.371 0.371) 0.526 32.091 ( -8.982 -6.351 6.351) 12.702 33.019 ( 7.294 -0.369 0.369) 7.312 33.154 ( -2.958 4.158 -4.158) 6.583 33.498 ( 5.888 1.979 -1.979) 6.520 33.557 ( 1.533 2.735 -2.735) 4.160 33.851 ( 1.091 1.801 -1.801) 2.771======================= Grid point 202 (26/35) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.322 ( 1.040 1.040 1.040) 1.801 3.355 ( 3.601 3.601 3.601) 6.237 3.355 ( 3.601 3.601 3.601) 6.237 3.740 ( 3.093 3.093 3.093) 5.356 3.740 ( 3.093 3.093 3.093) 5.356 3.959 ( -7.533 -7.533 -7.533) 13.048 4.229 ( -3.726 -3.726 -3.726) 6.454 4.229 ( -3.726 -3.726 -3.726) 6.454 5.229 ( 1.919 1.919 1.919) 3.324 5.229 ( 1.919 1.919 1.919) 3.324 5.283 ( 1.099 1.099 1.099) 1.903 5.864 ( 1.823 1.823 1.823) 3.158 5.961 ( 1.751 1.751 1.751) 3.033 5.961 ( 1.751 1.751 1.751) 3.033 6.015 ( -1.930 -1.930 -1.930) 3.344 7.635 ( 19.080 19.080 19.080) 33.048 7.659 ( 0.056 0.056 0.056) 0.098 7.659 ( 0.056 0.056 0.056) 0.098 8.250 ( -12.185 -12.185 -12.185) 21.106 8.250 ( -12.185 -12.185 -12.185) 21.106 8.753 ( 3.110 3.110 3.110) 5.386 8.847 ( -0.886 -0.886 -0.886) 1.535 8.847 ( -0.886 -0.886 -0.886) 1.535 8.900 ( -3.421 -3.421 -3.421) 5.925 9.210 ( -0.723 -0.723 -0.723) 1.252 9.210 ( -0.723 -0.723 -0.723) 1.252 11.201 ( 6.104 6.104 6.104) 10.572 11.244 ( -1.291 -1.291 -1.291) 2.235 11.252 ( -0.812 -0.812 -0.812) 1.406 11.252 ( -0.812 -0.812 -0.812) 1.406 12.692 ( 5.746 5.746 5.746) 9.952 12.863 ( -3.712 -3.712 -3.712) 6.429 12.863 ( -3.712 -3.712 -3.712) 6.429 14.202 ( 5.860 5.860 5.860) 10.150 14.239 ( 2.831 2.831 2.831) 4.904 14.239 ( 2.831 2.831 2.831) 4.904 14.674 ( 17.173 17.173 17.173) 29.744 15.316 ( -13.169 -13.169 -13.169) 22.810 15.316 ( -13.169 -13.169 -13.169) 22.810 15.630 ( -4.386 -4.386 -4.386) 7.597 17.146 ( 1.072 1.072 1.072) 1.856 17.146 ( 1.072 1.072 1.072) 1.856 18.830 ( 11.441 11.441 11.441) 19.816 19.190 ( -3.910 -3.910 -3.910) 6.772 19.190 ( -3.910 -3.910 -3.910) 6.772 21.874 ( 2.593 2.593 2.593) 4.492 21.976 ( -1.596 -1.596 -1.596) 2.765 21.976 ( -1.596 -1.596 -1.596) 2.765 23.073 ( 9.395 9.395 9.395) 16.273 23.374 ( -5.531 -5.531 -5.531) 9.580 23.374 ( -5.531 -5.531 -5.531) 9.580 25.496 ( 8.663 8.663 8.663) 15.004 25.496 ( 8.663 8.663 8.663) 15.004 25.635 ( -0.144 -0.144 -0.144) 0.250 25.905 ( -9.365 -9.365 -9.365) 16.221 25.905 ( -9.365 -9.365 -9.365) 16.221 29.076 ( 6.311 6.311 6.311) 10.932 29.733 ( 5.642 5.642 5.642) 9.772 29.892 ( -3.103 -3.103 -3.103) 5.374 29.892 ( -3.103 -3.103 -3.103) 5.374 30.664 ( -0.346 -0.346 -0.346) 0.600 30.906 ( 0.335 0.335 0.335) 0.579 30.906 ( 0.335 0.335 0.335) 0.579 32.694 ( 2.712 2.712 2.712) 4.697 32.694 ( 2.712 2.712 2.712) 4.697 32.893 ( -6.226 -6.226 -6.226) 10.783 33.514 ( -0.385 -0.385 -0.385) 0.667 33.545 ( -0.515 -0.515 -0.515) 0.891 33.545 ( -0.515 -0.515 -0.515) 0.891======================= Grid point 207 (27/35) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.411 ( 36.533 -0.000 -0.000) 36.533 2.411 ( 36.533 -0.000 -0.000) 36.533 3.535 ( -13.278 0.000 0.000) 13.278 3.888 ( -4.221 0.000 0.000) 4.221 3.888 ( -4.221 0.000 0.000) 4.221 4.037 ( 52.831 -0.000 -0.000) 52.831 4.574 ( 1.698 -0.000 -0.000) 1.698 4.574 ( 1.698 -0.000 -0.000) 1.698 4.596 ( -0.614 0.000 0.000) 0.614 5.061 ( -0.412 0.000 0.000) 0.412 5.242 ( -0.577 0.000 0.000) 0.577 5.648 ( 2.205 -0.000 -0.000) 2.205 5.907 ( -0.886 0.000 0.000) 0.886 5.907 ( -0.886 0.000 0.000) 0.886 6.183 ( -16.964 0.000 0.000) 16.964 6.683 ( 11.273 -0.000 -0.000) 11.273 7.881 ( 5.504 -0.000 -0.000) 5.504 7.881 ( 5.504 -0.000 -0.000) 5.504 8.443 ( 3.671 -0.000 -0.000) 3.671 8.656 ( 12.685 -0.000 -0.000) 12.685 8.656 ( 12.685 -0.000 -0.000) 12.685 8.958 ( -6.475 0.000 0.000) 6.475 9.072 ( 5.957 -0.000 -0.000) 5.957 9.072 ( 5.957 -0.000 -0.000) 5.957 9.570 ( -0.654 0.000 0.000) 0.654 10.031 ( -13.937 0.000 0.000) 13.937 10.536 ( -10.517 0.000 0.000) 10.517 10.536 ( -10.517 0.000 0.000) 10.517 11.440 ( -14.308 0.000 0.000) 14.308 11.681 ( 3.346 -0.000 -0.000) 3.346 12.265 ( 25.780 -0.000 -0.000) 25.780 13.035 ( 1.513 -0.000 -0.000) 1.513 13.035 ( 1.513 -0.000 -0.000) 1.513 13.317 ( 6.393 -0.000 -0.000) 6.393 13.613 ( -23.450 0.000 0.000) 23.450 13.613 ( -23.450 0.000 0.000) 23.450 15.074 ( 8.633 -0.000 -0.000) 8.633 16.143 ( -33.171 0.000 0.000) 33.171 16.411 ( -2.645 0.000 0.000) 2.645 16.411 ( -2.645 0.000 0.000) 2.645 16.600 ( -7.108 0.000 0.000) 7.108 17.473 ( 8.752 -0.000 -0.000) 8.752 17.473 ( 8.752 -0.000 -0.000) 8.752 18.373 ( -18.687 0.000 0.000) 18.687 20.204 ( 20.832 -0.000 -0.000) 20.832 21.746 ( -3.639 0.000 0.000) 3.639 21.783 ( -5.727 0.000 0.000) 5.727 22.631 ( 17.927 -0.000 -0.000) 17.927 22.631 ( 17.927 -0.000 -0.000) 17.927 23.328 ( 9.289 -0.000 -0.000) 9.289 23.766 ( 15.691 -0.000 -0.000) 15.691 24.957 ( -13.059 0.000 0.000) 13.059 24.957 ( -13.059 0.000 0.000) 13.059 25.916 ( -4.611 0.000 0.000) 4.611 26.951 ( -1.019 0.000 0.000) 1.019 26.951 ( -1.019 0.000 0.000) 1.019 27.120 ( -7.957 0.000 0.000) 7.957 29.309 ( 12.236 -0.000 -0.000) 12.236 30.198 ( -5.794 0.000 0.000) 5.794 30.198 ( -5.794 0.000 0.000) 5.794 30.763 ( 2.392 -0.000 -0.000) 2.392 30.821 ( 2.210 -0.000 -0.000) 2.210 30.821 ( 2.210 -0.000 -0.000) 2.210 32.214 ( -11.855 0.000 0.000) 11.855 32.799 ( 6.084 -0.000 -0.000) 6.084 33.359 ( -2.336 0.000 0.000) 2.336 33.487 ( 5.039 -0.000 -0.000) 5.039 33.487 ( 5.039 -0.000 -0.000) 5.039 33.850 ( -0.125 0.000 0.000) 0.125======================= Grid point 217 (28/35) =======================q-point: (-0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( 23.737 -0.910 -0.000) 23.754 2.889 ( 26.313 -5.653 -0.000) 26.914 3.368 ( -7.358 0.042 0.000) 7.358 3.815 ( -1.291 5.366 0.000) 5.519 3.870 ( -0.129 -2.262 -0.000) 2.266 4.432 ( -3.048 11.792 0.000) 12.179 4.548 ( 10.479 -5.756 -0.000) 11.955 4.601 ( 1.520 -0.889 -0.000) 1.761 4.697 ( 1.975 -6.206 -0.000) 6.512 5.169 ( 16.144 1.267 -0.000) 16.193 5.249 ( 2.253 0.427 -0.000) 2.293 5.749 ( 12.543 -0.912 -0.000) 12.576 5.874 ( -0.239 2.508 0.000) 2.520 5.885 ( -3.286 0.926 0.000) 3.414 6.009 ( -6.985 -0.411 0.000) 6.997 6.903 ( 18.504 -3.967 -0.000) 18.925 7.914 ( 5.776 5.453 -0.000) 7.943 7.979 ( 4.286 -3.952 -0.000) 5.830 8.452 ( -2.604 0.584 0.000) 2.668 8.752 ( 6.984 6.238 -0.000) 9.364 8.795 ( 6.107 0.607 -0.000) 6.137 8.908 ( -0.737 -1.370 -0.000) 1.555 9.136 ( 8.766 6.563 -0.000) 10.950 9.210 ( 13.699 -1.659 -0.000) 13.799 9.342 ( -21.899 9.208 0.000) 23.756 10.017 ( 2.336 -11.091 -0.000) 11.334 10.320 ( -9.476 11.759 0.000) 15.102 10.535 ( -8.829 -16.564 -0.000) 18.770 11.227 ( -16.825 0.234 0.000) 16.826 11.696 ( 3.638 4.668 0.000) 5.918 12.621 ( 26.524 1.154 -0.000) 26.549 12.924 ( -17.887 -2.053 0.000) 18.004 12.998 ( -19.000 -11.642 0.000) 22.283 13.340 ( 0.882 3.553 0.000) 3.661 13.422 ( -2.868 0.807 0.000) 2.980 13.500 ( -3.288 -8.235 -0.000) 8.867 15.108 ( 5.438 7.833 0.000) 9.536 15.652 ( -24.445 9.116 0.000) 26.089 16.280 ( -2.848 8.905 0.000) 9.350 16.460 ( -4.631 -11.728 -0.000) 12.609 16.600 ( -6.731 -9.629 -0.000) 11.749 17.505 ( 5.819 10.153 0.000) 11.702 17.593 ( 6.135 -1.037 -0.000) 6.222 18.237 ( -14.586 -12.985 0.000) 19.528 20.414 ( 17.237 6.432 -0.000) 18.398 21.696 ( -3.857 -0.496 0.000) 3.889 21.724 ( -5.067 -2.022 0.000) 5.455 22.819 ( 19.595 9.768 -0.000) 21.895 22.886 ( 18.642 0.553 -0.000) 18.651 23.461 ( 8.234 -0.263 -0.000) 8.238 23.970 ( 12.847 -1.021 -0.000) 12.887 24.789 ( -11.819 -0.832 0.000) 11.848 24.834 ( -12.044 -7.044 0.000) 13.953 25.817 ( -1.505 6.208 0.000) 6.388 26.600 ( -4.186 25.291 0.000) 25.635 26.967 ( -4.980 -7.625 -0.000) 9.107 27.306 ( -9.253 -24.253 -0.000) 25.958 29.498 ( 12.945 -2.011 -0.000) 13.101 30.089 ( -5.266 4.730 0.000) 7.078 30.125 ( -4.951 -0.403 0.000) 4.968 30.786 ( 2.358 1.299 -0.000) 2.692 30.847 ( 1.452 -0.109 -0.000) 1.457 30.855 ( 1.376 -1.117 -0.000) 1.772 32.076 ( -11.388 -3.200 0.000) 11.829 32.896 ( 6.666 -1.040 -0.000) 6.747 33.302 ( -3.414 1.913 0.000) 3.913 33.530 ( 5.391 4.699 -0.000) 7.151 33.554 ( 5.844 1.432 -0.000) 6.017 33.861 ( -0.157 -2.097 -0.000) 2.103======================= Grid point 226 (29/35) =======================q-point: (-0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 4.893 4.828 -0.000) 6.874 3.226 ( 8.437 -6.560 -0.000) 10.687 3.404 ( 1.975 -5.741 -0.000) 6.071 3.711 ( 6.178 13.414 0.000) 14.768 3.966 ( 9.806 -2.278 -0.000) 10.068 4.203 ( -5.326 12.036 0.000) 13.162 4.623 ( -4.321 -4.815 -0.000) 6.469 4.636 ( 0.220 -1.912 -0.000) 1.924 4.781 ( 1.074 -2.293 -0.000) 2.532 5.264 ( 4.385 3.064 -0.000) 5.350 5.302 ( 5.128 2.519 -0.000) 5.713 5.808 ( -3.498 0.294 0.000) 3.510 5.821 ( 2.626 4.273 0.000) 5.016 5.959 ( 5.449 -0.861 -0.000) 5.517 6.002 ( 5.304 1.113 -0.000) 5.420 7.294 ( 25.914 -2.915 -0.000) 26.078 7.899 ( 6.412 9.008 0.000) 11.057 8.096 ( 3.758 -6.179 -0.000) 7.232 8.318 ( -9.788 8.734 0.000) 13.118 8.644 ( -4.973 7.103 0.000) 8.671 8.827 ( 3.006 2.174 -0.000) 3.710 8.937 ( 1.157 -1.034 -0.000) 1.552 8.998 ( -6.238 3.473 0.000) 7.140 9.163 ( 7.737 7.446 -0.000) 10.738 9.501 ( 16.990 -6.015 -0.000) 18.023 9.989 ( -5.443 18.905 0.000) 19.673 10.191 ( -4.346 -12.201 -0.000) 12.952 10.708 ( -4.484 -20.600 -0.000) 21.082 10.982 ( -17.917 0.076 0.000) 17.918 11.677 ( 3.898 4.889 0.000) 6.253 12.684 ( -18.375 -9.026 0.000) 20.472 12.901 ( -22.858 -19.329 0.000) 29.935 12.965 ( 18.366 3.465 -0.000) 18.690 13.315 ( 3.267 5.792 0.000) 6.650 13.425 ( 3.597 1.883 -0.000) 4.060 13.560 ( -6.669 -8.754 -0.000) 11.005 15.061 ( 4.725 7.402 0.000) 8.781 15.310 ( -9.697 4.638 0.000) 10.749 16.161 ( 0.676 5.463 0.000) 5.505 16.563 ( -6.517 -13.025 -0.000) 14.565 16.620 ( -8.821 -8.204 0.000) 12.046 17.418 ( 5.615 10.772 0.000) 12.148 17.657 ( 3.752 1.436 -0.000) 4.017 18.260 ( -12.749 -15.008 -0.000) 19.692 20.509 ( 13.995 10.626 -0.000) 17.572 21.662 ( -2.979 -1.537 0.000) 3.352 21.698 ( -4.490 -3.590 0.000) 5.749 22.907 ( 19.380 16.159 -0.000) 25.232 23.077 ( 14.360 6.137 -0.000) 15.617 23.530 ( 4.607 2.722 -0.000) 5.351 24.119 ( 7.677 0.996 -0.000) 7.741 24.676 ( -8.890 -3.986 0.000) 9.743 24.806 ( -11.172 -10.987 0.000) 15.670 25.754 ( 3.675 4.967 0.000) 6.179 26.275 ( 2.556 17.631 0.000) 17.815 27.000 ( -8.441 -9.986 -0.000) 13.075 27.447 ( -14.331 -19.725 -0.000) 24.382 29.698 ( 11.234 -2.020 -0.000) 11.414 29.937 ( -4.010 7.364 0.000) 8.385 30.081 ( -3.414 -1.704 0.000) 3.816 30.795 ( 2.082 1.753 -0.000) 2.722 30.862 ( 0.719 0.164 -0.000) 0.738 30.880 ( 0.369 -0.625 -0.000) 0.726 31.999 ( -9.482 -6.557 0.000) 11.529 32.989 ( 5.775 0.979 -0.000) 5.857 33.233 ( -3.468 0.373 0.000) 3.488 33.521 ( 6.269 7.189 0.000) 9.538 33.597 ( 5.233 3.495 -0.000) 6.293 33.889 ( -0.912 -2.391 -0.000) 2.559======================= Grid point 227 (30/35) =======================q-point: (-0.33 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.071 ( 6.316 1.590 -1.590) 6.704 3.137 ( 9.420 -0.936 0.936) 9.513 3.361 ( 1.939 -5.177 5.177) 7.574 3.865 ( 9.512 3.095 -3.095) 10.471 3.885 ( 7.031 1.932 -1.932) 7.543 4.308 ( -4.110 10.187 -10.187) 14.981 4.586 ( -2.765 -3.342 3.342) 5.476 4.636 ( 0.595 -2.015 2.015) 2.911 4.738 ( -0.580 -3.438 3.438) 4.896 5.284 ( 3.778 1.256 -1.256) 4.174 5.319 ( 6.698 2.707 -2.707) 7.715 5.820 ( -1.710 1.953 -1.953) 3.248 5.856 ( 0.250 1.335 -1.335) 1.905 5.960 ( -1.803 -1.222 1.222) 2.497 5.995 ( 15.108 -0.126 0.126) 15.109 7.274 ( 30.886 -4.609 4.609) 31.567 7.970 ( 3.011 2.420 -2.420) 4.559 8.039 ( 4.429 -2.326 2.326) 5.517 8.381 ( -6.899 0.588 -0.588) 6.949 8.725 ( -8.224 11.226 -11.226) 17.880 8.822 ( 2.788 2.040 -2.040) 4.012 8.926 ( 1.749 -0.808 0.808) 2.089 9.024 ( -9.904 3.707 -3.707) 11.206 9.270 ( 13.550 6.025 -6.025) 16.006 9.399 ( 15.201 1.495 -1.495) 15.347 10.123 ( -1.768 -12.220 12.220) 17.371 10.125 ( -4.779 11.817 -11.817) 17.381 10.538 ( -5.862 -13.284 13.284) 19.680 10.981 ( -18.573 0.257 -0.257) 18.577 11.715 ( 3.127 3.224 -3.224) 5.529 12.666 ( -23.661 -7.962 7.962) 26.204 12.714 ( -24.727 -10.092 10.092) 28.551 12.991 ( 22.462 0.165 -0.165) 22.463 13.362 ( 3.052 2.444 -2.444) 4.611 13.430 ( 4.192 2.090 -2.090) 5.129 13.502 ( -4.629 -4.683 4.683) 8.080 15.123 ( 2.925 4.296 -4.296) 6.742 15.339 ( -14.539 4.277 -4.277) 15.747 16.198 ( -2.058 6.192 -6.192) 8.996 16.456 ( -3.140 -8.627 8.627) 12.598 16.573 ( -8.685 -8.170 8.170) 14.454 17.419 ( 5.648 14.621 -14.621) 21.435 17.779 ( 4.550 -7.162 7.162) 11.103 18.118 ( -11.237 -7.215 7.215) 15.179 20.581 ( 13.037 5.283 -5.283) 15.026 21.654 ( -3.424 -1.147 1.147) 3.789 21.670 ( -4.291 -1.527 1.527) 4.804 23.000 ( 18.594 10.655 -10.655) 23.933 23.158 ( 19.303 0.308 -0.308) 19.308 23.540 ( 4.673 2.878 -2.878) 6.197 24.114 ( 9.347 1.369 -1.369) 9.545 24.657 ( -9.403 -2.859 2.859) 10.236 24.722 ( -11.411 -6.127 6.127) 14.328 25.796 ( 2.746 2.858 -2.858) 4.886 26.509 ( -2.685 9.032 -9.032) 13.052 26.754 ( -7.310 5.029 -5.029) 10.199 27.370 ( -13.551 -21.708 21.708) 33.557 29.682 ( 12.170 -1.491 1.491) 12.352 30.014 ( -4.182 3.028 -3.028) 5.986 30.046 ( -4.027 0.812 -0.812) 4.188 30.806 ( 2.159 1.339 -1.339) 2.872 30.867 ( 0.812 -0.279 0.279) 0.903 30.872 ( 0.712 -0.457 0.457) 0.961 31.954 ( -9.872 -3.569 3.569) 11.087 32.995 ( 6.376 -1.085 1.085) 6.558 33.234 ( -4.257 1.827 -1.827) 4.980 33.583 ( 6.460 3.711 -3.711) 8.323 33.623 ( 5.082 1.905 -1.905) 5.752 33.861 ( -0.411 -0.908 0.908) 1.348======================= Grid point 236 (31/35) =======================q-point: (-0.44 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.077 ( 4.168 4.168 3.228) 6.721 3.206 ( -1.995 -1.995 -5.642) 6.308 3.430 ( -3.819 -3.819 5.352) 7.604 3.881 ( 12.802 12.802 2.917) 18.339 4.077 ( 2.513 2.513 -7.628) 8.415 4.087 ( 7.011 7.011 -9.058) 13.430 4.589 ( -4.778 -4.778 4.008) 7.856 4.664 ( -0.211 -0.211 4.571) 4.581 4.755 ( -3.024 -3.024 -1.432) 4.510 5.306 ( 3.620 3.620 -1.802) 5.427 5.330 ( 3.083 3.083 -3.364) 5.506 5.799 ( 1.029 1.029 0.898) 1.710 5.838 ( 0.866 0.866 -1.734) 2.123 5.961 ( -1.127 -1.127 0.899) 1.829 6.104 ( 5.979 5.979 -1.660) 8.617 7.658 ( 14.628 14.628 8.031) 22.191 7.941 ( 2.821 2.821 -5.451) 6.755 8.169 ( -1.674 -1.674 5.135) 5.655 8.222 ( 3.827 3.827 -0.535) 5.438 8.472 ( -3.265 -3.265 -15.484) 16.158 8.829 ( 1.662 1.662 -2.780) 3.640 8.955 ( 0.495 0.495 -0.125) 0.711 8.958 ( -0.052 -0.052 0.598) 0.603 9.319 ( 12.604 12.604 1.472) 17.885 9.542 ( 3.425 3.425 -13.701) 14.532 9.963 ( 9.404 9.404 -6.873) 14.970 10.206 ( -8.708 -8.708 12.013) 17.204 10.672 ( -10.080 -10.080 6.971) 15.868 10.774 ( -10.172 -10.172 1.715) 14.487 11.712 ( 3.507 3.507 -2.117) 5.392 12.532 ( -16.287 -16.287 13.711) 26.805 12.627 ( -21.549 -21.549 7.084) 31.288 13.193 ( 11.165 11.165 1.305) 15.844 13.342 ( 4.570 4.570 -5.458) 8.459 13.450 ( 3.270 3.270 -3.202) 5.625 13.489 ( -7.884 -7.884 4.892) 12.176 15.112 ( 3.653 3.653 -0.083) 5.167 15.199 ( -2.035 -2.035 -4.214) 5.103 16.133 ( 2.809 2.809 -5.826) 7.051 16.524 ( -8.827 -8.827 9.070) 15.430 16.556 ( -8.258 -8.258 6.604) 13.416 17.346 ( 10.769 10.769 -16.868) 22.726 17.861 ( 0.925 0.925 15.504) 15.560 18.095 ( -10.971 -10.971 -1.018) 15.549 20.633 ( 9.290 9.290 -4.840) 14.001 21.638 ( -2.245 -2.245 1.712) 3.607 21.651 ( -3.220 -3.220 1.020) 4.667 23.053 ( 15.867 15.867 -11.848) 25.375 23.317 ( 11.835 11.835 5.123) 17.504 23.528 ( 2.752 2.752 -8.119) 9.003 24.172 ( 4.749 4.749 -3.785) 7.709 24.616 ( -6.221 -6.221 6.429) 10.896 24.683 ( -9.958 -9.958 3.098) 14.420 25.809 ( 3.623 3.623 -0.167) 5.127 26.381 ( 8.496 8.496 4.619) 12.872 26.693 ( -7.283 -7.283 -18.520) 21.191 27.430 ( -18.782 -18.782 21.562) 34.212 29.829 ( 4.525 4.525 1.509) 6.574 29.908 ( 1.641 1.641 -0.794) 2.453 30.017 ( -2.325 -2.325 -3.071) 4.499 30.812 ( 1.848 1.848 -1.347) 2.940 30.874 ( 0.286 0.286 0.571) 0.700 30.882 ( -0.136 -0.136 -0.026) 0.194 31.910 ( -7.094 -7.094 3.709) 10.697 33.067 ( 2.984 2.984 2.345) 4.827 33.170 ( -1.732 -1.732 -3.193) 4.024 33.602 ( 6.064 6.064 -1.215) 8.662 33.642 ( 3.827 3.827 -3.206) 6.291 33.868 ( -0.997 -0.997 -0.403) 1.466======================= Grid point 316 (32/35) =======================q-point: (-0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.123 ( 12.632 -0.000 -0.000) 12.632 3.123 ( 12.632 -0.000 -0.000) 12.632 3.261 ( -5.378 0.000 0.000) 5.378 3.912 ( 9.283 -0.000 -0.000) 9.283 3.912 ( 9.283 -0.000 -0.000) 9.283 4.531 ( -3.391 0.000 0.000) 3.391 4.541 ( -3.139 0.000 0.000) 3.139 4.604 ( -0.121 0.000 0.000) 0.121 4.604 ( -0.121 0.000 0.000) 0.121 5.300 ( 4.504 -0.000 -0.000) 4.504 5.361 ( 7.881 -0.000 -0.000) 7.881 5.880 ( -0.638 0.000 0.000) 0.638 5.880 ( -0.638 0.000 0.000) 0.638 5.919 ( -4.040 0.000 0.000) 4.040 5.985 ( 19.034 -0.000 -0.000) 19.034 7.213 ( 31.550 -0.000 -0.000) 31.550 8.001 ( 3.008 -0.000 -0.000) 3.008 8.001 ( 3.008 -0.000 -0.000) 3.008 8.391 ( -6.253 0.000 0.000) 6.253 8.863 ( 2.686 -0.000 -0.000) 2.686 8.863 ( 2.686 -0.000 -0.000) 2.686 8.902 ( 1.828 -0.000 -0.000) 1.828 9.111 ( -21.195 0.000 0.000) 21.195 9.416 ( 17.691 -0.000 -0.000) 17.691 9.416 ( 17.691 -0.000 -0.000) 17.691 9.920 ( -2.138 0.000 0.000) 2.138 10.303 ( -5.756 0.000 0.000) 5.756 10.303 ( -5.756 0.000 0.000) 5.756 10.983 ( -18.964 0.000 0.000) 18.964 11.768 ( 1.971 -0.000 -0.000) 1.971 12.557 ( -28.038 0.000 0.000) 28.038 12.557 ( -28.038 0.000 0.000) 28.038 12.996 ( 25.046 -0.000 -0.000) 25.046 13.377 ( -2.528 0.000 0.000) 2.528 13.458 ( 4.316 -0.000 -0.000) 4.316 13.458 ( 4.316 -0.000 -0.000) 4.316 15.194 ( -0.143 0.000 0.000) 0.143 15.402 ( -18.738 0.000 0.000) 18.738 16.325 ( -3.089 0.000 0.000) 3.089 16.325 ( -3.089 0.000 0.000) 3.089 16.415 ( -6.436 0.000 0.000) 6.436 17.679 ( 5.964 -0.000 -0.000) 5.964 17.679 ( 5.964 -0.000 -0.000) 5.964 17.963 ( -10.211 0.000 0.000) 10.211 20.653 ( 12.078 -0.000 -0.000) 12.078 21.638 ( -3.780 0.000 0.000) 3.780 21.648 ( -4.202 0.000 0.000) 4.202 23.164 ( 20.121 -0.000 -0.000) 20.121 23.164 ( 20.121 -0.000 -0.000) 20.121 23.574 ( 7.561 -0.000 -0.000) 7.561 24.124 ( 10.245 -0.000 -0.000) 10.245 24.625 ( -10.927 0.000 0.000) 10.927 24.625 ( -10.927 0.000 0.000) 10.927 25.847 ( 0.422 -0.000 -0.000) 0.422 26.823 ( -7.743 0.000 0.000) 7.743 26.823 ( -7.743 0.000 0.000) 7.743 26.869 ( -9.986 0.000 0.000) 9.986 29.661 ( 12.594 -0.000 -0.000) 12.594 30.058 ( -4.254 0.000 0.000) 4.254 30.058 ( -4.254 0.000 0.000) 4.254 30.828 ( 2.199 -0.000 -0.000) 2.199 30.863 ( 0.994 -0.000 -0.000) 0.994 30.863 ( 0.994 -0.000 -0.000) 0.994 31.904 ( -10.219 0.000 0.000) 10.219 32.977 ( 6.356 -0.000 -0.000) 6.356 33.258 ( -4.691 0.000 0.000) 4.691 33.650 ( 6.349 -0.000 -0.000) 6.349 33.650 ( 6.349 -0.000 -0.000) 6.349 33.835 ( -0.905 0.000 0.000) 0.905======================= Grid point 325 (33/35) =======================q-point: (-0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.128 ( 2.784 6.063 0.000) 6.672 3.228 ( 1.314 -2.077 -0.000) 2.458 3.304 ( -2.131 -6.371 -0.000) 6.718 4.020 ( 13.955 9.142 -0.000) 16.682 4.100 ( 14.363 -1.924 -0.000) 14.491 4.350 ( -1.958 13.989 0.000) 14.126 4.508 ( -4.200 -3.003 0.000) 5.164 4.602 ( -1.885 -1.775 0.000) 2.589 4.684 ( -3.384 -7.844 -0.000) 8.543 5.356 ( 4.701 1.505 -0.000) 4.936 5.400 ( 2.516 2.994 0.000) 3.911 5.828 ( 0.597 3.668 0.000) 3.717 5.870 ( 0.394 0.889 0.000) 0.973 5.925 ( -1.398 -2.563 -0.000) 2.919 6.171 ( 9.193 2.276 -0.000) 9.470 7.693 ( 31.624 0.843 -0.000) 31.635 8.021 ( 2.166 1.894 -0.000) 2.877 8.061 ( 2.148 -4.250 -0.000) 4.762 8.305 ( -2.847 3.252 0.000) 4.322 8.681 ( -11.259 14.525 0.000) 18.378 8.878 ( 1.253 0.989 -0.000) 1.596 8.927 ( -1.006 -1.210 -0.000) 1.573 8.952 ( -0.833 -1.757 -0.000) 1.945 9.506 ( 14.667 14.813 0.000) 20.846 9.660 ( 13.440 -1.450 -0.000) 13.518 9.980 ( -4.112 -9.366 -0.000) 10.229 10.170 ( 0.548 11.392 0.000) 11.406 10.394 ( -1.350 -17.383 -0.000) 17.436 10.714 ( -20.188 -0.569 0.000) 20.196 11.765 ( 1.349 2.382 0.000) 2.737 12.253 ( -22.721 -9.336 0.000) 24.564 12.305 ( -24.645 -15.866 0.000) 29.310 13.279 ( 17.206 3.303 -0.000) 17.520 13.355 ( -4.263 -5.079 -0.000) 6.631 13.474 ( 2.453 5.673 0.000) 6.181 13.505 ( 3.481 1.526 -0.000) 3.801 15.154 ( -1.043 2.262 0.000) 2.491 15.211 ( -7.721 -0.174 0.000) 7.723 16.233 ( -0.351 4.454 0.000) 4.468 16.336 ( -4.427 -6.659 -0.000) 7.996 16.408 ( -6.545 -7.070 -0.000) 9.635 17.643 ( 5.197 10.033 0.000) 11.299 17.736 ( 3.763 1.578 -0.000) 4.080 17.962 ( -6.630 -10.038 -0.000) 12.030 20.757 ( 8.118 4.441 -0.000) 9.254 21.602 ( -2.727 -1.264 0.000) 3.006 21.609 ( -3.205 -1.749 0.000) 3.651 23.355 ( 17.928 10.272 -0.000) 20.662 23.381 ( 16.257 6.458 -0.000) 17.493 23.631 ( 3.898 3.265 -0.000) 5.085 24.235 ( 6.407 1.197 -0.000) 6.518 24.507 ( -8.461 -2.936 0.000) 8.957 24.540 ( -9.333 -7.044 0.000) 11.693 25.856 ( 3.737 2.608 -0.000) 4.557 26.502 ( -1.337 14.180 0.000) 14.242 26.760 ( -8.668 -6.661 0.000) 10.932 26.977 ( -14.055 -18.921 -0.000) 23.570 29.825 ( 9.886 -0.976 -0.000) 9.934 29.974 ( -2.955 4.752 0.000) 5.596 30.017 ( -2.843 -1.242 0.000) 3.102 30.844 ( 1.782 1.356 -0.000) 2.239 30.873 ( 0.527 0.168 -0.000) 0.553 30.878 ( 0.387 -0.418 -0.000) 0.570 31.808 ( -7.607 -3.929 0.000) 8.562 33.062 ( 4.799 -0.589 -0.000) 4.835 33.187 ( -4.146 0.745 0.000) 4.212 33.691 ( 5.529 4.979 -0.000) 7.440 33.713 ( 5.042 2.546 -0.000) 5.648 33.843 ( -1.042 -2.221 -0.000) 2.453======================= Grid point 335 (34/35) =======================q-point: (-0.44 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.178 ( 0.105 0.105 -4.173) 4.175 3.178 ( 2.817 2.817 1.251) 4.175 3.312 ( -4.342 -4.342 4.342) 7.520 4.190 ( 4.959 4.959 -9.398) 11.726 4.190 ( 7.918 7.918 -3.479) 11.726 4.273 ( 7.616 7.616 -7.616) 13.191 4.483 ( -2.890 -2.890 2.890) 5.006 4.628 ( -5.194 -5.194 1.365) 7.472 4.628 ( -2.641 -2.641 6.471) 7.472 5.401 ( 1.755 1.755 -3.292) 4.123 5.401 ( 2.780 2.780 -1.242) 4.123 5.850 ( 0.543 0.543 -2.569) 2.681 5.850 ( 1.894 1.894 0.132) 2.681 5.923 ( -1.593 -1.593 1.593) 2.759 6.233 ( 3.265 3.265 -3.265) 5.654 7.980 ( 1.223 1.223 -8.930) 9.096 7.980 ( 6.361 6.361 1.347) 9.096 8.108 ( -2.782 -2.782 2.782) 4.818 8.422 ( -0.420 -0.420 -17.794) 17.804 8.422 ( 11.723 11.723 6.491) 17.804 8.868 ( 1.271 1.271 -1.271) 2.201 8.948 ( -1.358 -1.358 0.402) 1.962 8.948 ( -0.721 -0.721 1.676) 1.962 9.666 ( 5.621 5.621 -12.422) 14.748 9.666 ( 10.155 10.155 -3.354) 14.748 9.988 ( -6.978 -6.978 6.978) 12.087 10.183 ( 6.380 6.380 -6.380) 11.051 10.476 ( -10.964 -10.964 -0.058) 15.506 10.476 ( -3.616 -3.616 14.638) 15.506 11.771 ( 0.965 0.965 -0.965) 1.671 12.108 ( -14.741 -14.741 12.834) 24.481 12.108 ( -13.470 -13.470 15.377) 24.481 13.315 ( -4.482 -4.482 4.482) 7.763 13.453 ( 3.139 3.139 -8.997) 10.033 13.453 ( 7.045 7.045 -1.186) 10.033 13.526 ( 2.039 2.039 -2.039) 3.531 15.147 ( -1.419 -1.419 0.180) 2.015 15.147 ( -0.593 -0.593 1.832) 2.015 16.205 ( 2.528 2.528 -2.528) 4.379 16.351 ( -5.945 -5.945 3.094) 8.959 16.351 ( -4.044 -4.044 6.896) 8.959 17.620 ( 8.672 8.672 -8.672) 15.020 17.868 ( -5.751 -5.751 -1.641) 8.297 17.868 ( -0.823 -0.823 8.215) 8.297 20.811 ( 4.098 4.098 -4.098) 7.097 21.585 ( -1.653 -1.653 1.400) 2.725 21.585 ( -1.484 -1.484 1.737) 2.725 23.444 ( 12.049 12.049 -12.049) 20.869 23.598 ( 2.265 2.265 -10.431) 10.912 23.598 ( 7.709 7.709 0.457) 10.912 24.279 ( 2.773 2.773 -2.773) 4.802 24.461 ( -5.975 -5.975 4.410) 9.532 24.461 ( -4.932 -4.932 6.497) 9.532 25.890 ( 2.349 2.349 -2.349) 4.068 26.556 ( -1.936 -1.936 -7.420) 7.909 26.556 ( 4.301 4.301 5.055) 7.909 26.944 ( -15.902 -15.902 15.902) 27.543 29.935 ( 0.008 0.008 -4.402) 4.402 29.935 ( 2.937 2.937 1.456) 4.402 29.974 ( -0.366 -0.366 0.366) 0.634 30.855 ( 1.230 1.230 -1.230) 2.130 30.880 ( -0.035 -0.035 -0.188) 0.195 30.880 ( 0.114 0.114 0.109) 0.195 31.755 ( -4.083 -4.083 4.083) 7.071 33.126 ( -1.261 -1.261 -2.703) 3.238 33.126 ( 1.382 1.382 2.582) 3.238 33.737 ( 2.909 2.909 -3.947) 5.701 33.737 ( 3.601 3.601 -2.563) 5.701 33.838 ( -1.145 -1.145 1.145) 1.983======================= Grid point 424 (35/35) =======================q-point: (-0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.211 ( 0.148 -0.000 -0.000) 0.148 3.218 ( -0.482 0.000 0.000) 0.482 3.218 ( -0.482 0.000 0.000) 0.482 4.282 ( 13.155 -0.000 -0.000) 13.155 4.282 ( 13.155 -0.000 -0.000) 13.155 4.440 ( -2.338 0.000 0.000) 2.338 4.459 ( -1.488 0.000 0.000) 1.488 4.536 ( -5.401 0.000 0.000) 5.401 4.536 ( -5.401 0.000 0.000) 5.401 5.422 ( 3.116 -0.000 -0.000) 3.116 5.440 ( 0.621 -0.000 -0.000) 0.621 5.878 ( 0.227 -0.000 -0.000) 0.227 5.878 ( 0.227 -0.000 -0.000) 0.227 5.880 ( -0.062 0.000 0.000) 0.062 6.278 ( 3.921 -0.000 -0.000) 3.921 8.016 ( 8.979 -0.000 -0.000) 8.979 8.047 ( 0.621 -0.000 -0.000) 0.621 8.047 ( 0.621 -0.000 -0.000) 0.621 8.420 ( 18.622 -0.000 -0.000) 18.622 8.673 ( -9.122 0.000 0.000) 9.122 8.892 ( 0.281 -0.000 -0.000) 0.281 8.892 ( 0.281 -0.000 -0.000) 0.281 8.929 ( -1.898 0.000 0.000) 1.898 9.799 ( 6.723 -0.000 -0.000) 6.723 9.799 ( 6.723 -0.000 -0.000) 6.723 9.853 ( -1.826 0.000 0.000) 1.826 10.283 ( 4.024 -0.000 -0.000) 4.024 10.283 ( 4.024 -0.000 -0.000) 4.024 10.448 ( -16.712 0.000 0.000) 16.712 11.784 ( -0.272 0.000 0.000) 0.272 11.898 ( -16.263 0.000 0.000) 16.263 11.898 ( -16.263 0.000 0.000) 16.263 13.253 ( -3.923 0.000 0.000) 3.923 13.497 ( 10.118 -0.000 -0.000) 10.118 13.554 ( 1.913 -0.000 -0.000) 1.913 13.554 ( 1.913 -0.000 -0.000) 1.913 15.128 ( -2.662 0.000 0.000) 2.662 15.129 ( -3.362 0.000 0.000) 3.362 16.265 ( -1.135 0.000 0.000) 1.135 16.265 ( -1.135 0.000 0.000) 1.135 16.278 ( -2.980 0.000 0.000) 2.980 17.787 ( 1.993 -0.000 -0.000) 1.993 17.787 ( 1.993 -0.000 -0.000) 1.993 17.813 ( -1.905 0.000 0.000) 1.905 20.866 ( 3.788 -0.000 -0.000) 3.788 21.562 ( -1.541 0.000 0.000) 1.541 21.564 ( -1.745 0.000 0.000) 1.745 23.632 ( 11.697 -0.000 -0.000) 11.697 23.632 ( 11.697 -0.000 -0.000) 11.697 23.704 ( 2.066 -0.000 -0.000) 2.066 24.311 ( 3.450 -0.000 -0.000) 3.450 24.381 ( -6.226 0.000 0.000) 6.226 24.381 ( -6.226 0.000 0.000) 6.226 25.927 ( 3.722 -0.000 -0.000) 3.722 26.616 ( -5.371 0.000 0.000) 5.371 26.616 ( -5.371 0.000 0.000) 5.371 26.624 ( -6.418 0.000 0.000) 6.418 29.927 ( 5.710 -0.000 -0.000) 5.710 29.977 ( -1.537 0.000 0.000) 1.537 29.977 ( -1.537 0.000 0.000) 1.537 30.874 ( 1.011 -0.000 -0.000) 1.011 30.879 ( 0.257 -0.000 -0.000) 0.257 30.879 ( 0.257 -0.000 -0.000) 0.257 31.698 ( -4.251 0.000 0.000) 4.251 33.108 ( 2.704 -0.000 -0.000) 2.704 33.145 ( -2.669 0.000 0.000) 2.669 33.788 ( 2.977 -0.000 -0.000) 2.977 33.788 ( 2.977 -0.000 -0.000) 2.977 33.812 ( -0.546 0.000 0.000) 0.546=================== 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 3/50301 10.0 65.083 65.083 65.083 0.000 0.000 -0.000 3/50301 20.0 555.156 555.156 555.156 0.000 0.000 -0.000 3/50301 30.0 582.212 582.212 582.212 0.000 0.000 -0.000 3/50301 40.0 373.783 373.783 373.783 0.000 0.000 -0.000 3/50301 50.0 242.249 242.249 242.249 0.000 0.000 -0.000 3/50301 60.0 169.614 169.614 169.614 0.000 0.000 -0.000 3/50301 70.0 126.769 126.769 126.769 0.000 0.000 -0.000 3/50301 80.0 99.589 99.589 99.589 0.000 0.000 -0.000 3/50301 90.0 81.284 81.284 81.284 0.000 0.000 -0.000 3/50301 100.0 68.346 68.346 68.346 0.000 0.000 -0.000 3/50301 110.0 58.830 58.830 58.830 0.000 0.000 -0.000 3/50301 120.0 51.594 51.594 51.594 0.000 0.000 -0.000 3/50301 130.0 45.934 45.934 45.934 0.000 0.000 -0.000 3/50301 140.0 41.401 41.401 41.401 0.000 0.000 -0.000 3/50301 150.0 37.695 37.695 37.695 0.000 0.000 -0.000 3/50301 160.0 34.612 34.612 34.612 0.000 0.000 -0.000 3/50301 170.0 32.007 32.007 32.007 0.000 0.000 -0.000 3/50301 180.0 29.777 29.777 29.777 0.000 0.000 -0.000 3/50301 190.0 27.846 27.846 27.846 0.000 0.000 -0.000 3/50301 200.0 26.158 26.158 26.158 0.000 0.000 -0.000 3/50301 210.0 24.669 24.669 24.669 0.000 0.000 -0.000 3/50301 220.0 23.344 23.344 23.344 0.000 0.000 -0.000 3/50301 230.0 22.159 22.159 22.159 0.000 0.000 -0.000 3/50301 240.0 21.091 21.091 21.091 0.000 0.000 -0.000 3/50301 250.0 20.125 20.125 20.125 0.000 0.000 -0.000 3/50301 260.0 19.245 19.245 19.245 0.000 0.000 -0.000 3/50301 270.0 18.441 18.441 18.441 0.000 0.000 -0.000 3/50301 280.0 17.703 17.703 17.703 0.000 0.000 -0.000 3/50301 290.0 17.023 17.023 17.023 0.000 0.000 -0.000 3/50301 300.0 16.395 16.395 16.395 0.000 0.000 -0.000 3/50301 310.0 15.812 15.812 15.812 0.000 0.000 -0.000 3/50301 320.0 15.271 15.271 15.271 0.000 0.000 -0.000 3/50301 330.0 14.766 14.766 14.766 0.000 0.000 -0.000 3/50301 340.0 14.294 14.294 14.294 0.000 0.000 -0.000 3/50301 350.0 13.852 13.852 13.852 0.000 0.000 -0.000 3/50301 360.0 13.438 13.438 13.438 0.000 0.000 -0.000 3/50301 370.0 13.048 13.048 13.048 0.000 0.000 -0.000 3/50301 380.0 12.680 12.680 12.680 0.000 0.000 -0.000 3/50301 390.0 12.333 12.333 12.333 0.000 0.000 -0.000 3/50301 400.0 12.005 12.005 12.005 0.000 0.000 -0.000 3/50301 410.0 11.694 11.694 11.694 0.000 0.000 -0.000 3/50301 420.0 11.399 11.399 11.399 0.000 0.000 -0.000 3/50301 430.0 11.120 11.120 11.120 0.000 0.000 -0.000 3/50301 440.0 10.853 10.853 10.853 0.000 0.000 -0.000 3/50301 450.0 10.600 10.600 10.600 0.000 0.000 -0.000 3/50301 460.0 10.358 10.358 10.358 0.000 0.000 -0.000 3/50301 470.0 10.127 10.127 10.127 0.000 0.000 -0.000 3/50301 480.0 9.907 9.907 9.907 0.000 0.000 -0.000 3/50301 490.0 9.696 9.696 9.696 0.000 0.000 -0.000 3/50301 500.0 9.494 9.494 9.494 0.000 0.000 -0.000 3/50301 510.0 9.301 9.301 9.301 0.000 0.000 -0.000 3/50301 520.0 9.115 9.115 9.115 0.000 0.000 -0.000 3/50301 530.0 8.937 8.937 8.937 0.000 0.000 -0.000 3/50301 540.0 8.765 8.765 8.765 0.000 0.000 -0.000 3/50301 550.0 8.601 8.601 8.601 0.000 0.000 -0.000 3/50301 560.0 8.442 8.442 8.442 0.000 0.000 -0.000 3/50301 570.0 8.289 8.289 8.289 0.000 0.000 -0.000 3/50301 580.0 8.142 8.142 8.142 0.000 0.000 -0.000 3/50301 590.0 8.000 8.000 8.000 0.000 0.000 -0.000 3/50301 600.0 7.863 7.863 7.863 0.000 0.000 -0.000 3/50301 610.0 7.731 7.731 7.731 0.000 0.000 -0.000 3/50301 620.0 7.603 7.603 7.603 0.000 0.000 -0.000 3/50301 630.0 7.479 7.479 7.479 0.000 0.000 -0.000 3/50301 640.0 7.360 7.360 7.360 0.000 0.000 -0.000 3/50301 650.0 7.244 7.244 7.244 0.000 0.000 -0.000 3/50301 660.0 7.132 7.132 7.132 0.000 0.000 -0.000 3/50301 670.0 7.023 7.023 7.023 0.000 0.000 -0.000 3/50301 680.0 6.917 6.917 6.917 0.000 0.000 -0.000 3/50301 690.0 6.815 6.815 6.815 0.000 0.000 -0.000 3/50301 700.0 6.716 6.716 6.716 0.000 0.000 -0.000 3/50301 710.0 6.619 6.619 6.619 0.000 0.000 -0.000 3/50301 720.0 6.526 6.526 6.526 0.000 0.000 -0.000 3/50301 730.0 6.435 6.435 6.435 0.000 0.000 -0.000 3/50301 740.0 6.346 6.346 6.346 0.000 0.000 -0.000 3/50301 750.0 6.260 6.260 6.260 0.000 0.000 -0.000 3/50301 760.0 6.177 6.177 6.177 0.000 0.000 -0.000 3/50301 770.0 6.095 6.095 6.095 0.000 0.000 -0.000 3/50301 780.0 6.016 6.016 6.016 0.000 0.000 -0.000 3/50301 790.0 5.939 5.939 5.939 0.000 0.000 -0.000 3/50301 800.0 5.863 5.863 5.863 0.000 0.000 -0.000 3/50301 810.0 5.790 5.790 5.790 0.000 0.000 -0.000 3/50301 820.0 5.719 5.719 5.719 0.000 0.000 -0.000 3/50301 830.0 5.649 5.649 5.649 0.000 0.000 -0.000 3/50301 840.0 5.581 5.581 5.581 0.000 0.000 -0.000 3/50301 850.0 5.514 5.514 5.514 0.000 0.000 -0.000 3/50301 860.0 5.449 5.449 5.449 0.000 0.000 -0.000 3/50301 870.0 5.386 5.386 5.386 0.000 0.000 -0.000 3/50301 880.0 5.324 5.324 5.324 0.000 0.000 -0.000 3/50301 890.0 5.264 5.264 5.264 0.000 0.000 -0.000 3/50301 900.0 5.205 5.205 5.205 0.000 0.000 -0.000 3/50301 910.0 5.147 5.147 5.147 0.000 0.000 -0.000 3/50301 920.0 5.090 5.090 5.090 0.000 0.000 -0.000 3/50301 930.0 5.035 5.035 5.035 0.000 0.000 -0.000 3/50301 940.0 4.981 4.981 4.981 0.000 0.000 -0.000 3/50301 950.0 4.928 4.928 4.928 0.000 0.000 -0.000 3/50301 960.0 4.876 4.876 4.876 0.000 0.000 -0.000 3/50301 970.0 4.826 4.826 4.826 0.000 0.000 -0.000 3/50301 980.0 4.776 4.776 4.776 0.000 0.000 -0.000 3/50301 990.0 4.728 4.728 4.728 0.000 0.000 -0.000 3/50301 1000.0 4.680 4.680 4.680 0.000 0.000 -0.000 3/50301Thermal conductivity related properties were written into "kappa-m999.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:45:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|