----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.651660170000000 Atomic positions (fractional): *1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 2 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 *3 La 0.50000000000000 0.00000000000000 0.94248171406764 138.905 4 La 0.00000000000000 0.50000000000000 0.05751828593236 138.905 *5 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 6 La 0.75000000000000 0.75000000000000 0.50000000000000 138.905 7 La 0.25000000000000 0.25000000000000 0.50000000000000 138.905 8 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 *9 O 0.50000000000000 0.26394326734787 0.74105410873050 15.999 10 O 0.23605673265213 0.00000000000000 0.74105410873050 15.999 11 O 0.76394326734787 0.00000000000000 0.74105410873050 15.999 12 O 0.50000000000000 0.73605673265213 0.74105410873050 15.999 13 O 0.00000000000000 0.23605673265213 0.25894589126950 15.999 14 O 0.00000000000000 0.76394326734787 0.25894589126950 15.999 15 O 0.26394326734787 0.50000000000000 0.25894589126950 15.999 16 O 0.73605673265213 0.50000000000000 0.25894589126950 15.999 *17 H 0.50000000000000 0.23090765156549 0.24284571878647 1.008 18 H 0.26909234843451 0.00000000000000 0.24284571878647 1.008 19 H 0.73090765156549 0.00000000000000 0.24284571878647 1.008 20 H 0.50000000000000 0.76909234843451 0.24284571878647 1.008 21 H 0.00000000000000 0.26909234843451 0.75715428121353 1.008 22 H 0.00000000000000 0.73090765156549 0.75715428121353 1.008 23 H 0.23090765156549 0.50000000000000 0.75715428121353 1.008 24 H 0.76909234843451 0.50000000000000 0.75715428121353 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.651660170000000 Atomic positions (fractional): *1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 2 *3 La 0.50000000000000 0.00000000000000 0.94248171406764 138.905 > 3 4 La 0.00000000000000 0.50000000000000 0.05751828593236 138.905 > 4 *5 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 > 5 6 La 0.75000000000000 0.75000000000000 0.50000000000000 138.905 > 6 7 La 0.25000000000000 0.25000000000000 0.50000000000000 138.905 > 7 8 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 > 8 *9 O 0.50000000000000 0.26394326734787 0.74105410873050 15.999 > 9 10 O 0.23605673265213 0.00000000000000 0.74105410873050 15.999 > 10 11 O 0.76394326734787 0.00000000000000 0.74105410873050 15.999 > 11 12 O 0.50000000000000 0.73605673265213 0.74105410873050 15.999 > 12 13 O 0.00000000000000 0.23605673265213 0.25894589126950 15.999 > 13 14 O 0.00000000000000 0.76394326734787 0.25894589126950 15.999 > 14 15 O 0.26394326734787 0.50000000000000 0.25894589126950 15.999 > 15 16 O 0.73605673265213 0.50000000000000 0.25894589126950 15.999 > 16 *17 H 0.50000000000000 0.23090765156549 0.24284571878647 1.008 > 17 18 H 0.26909234843451 0.00000000000000 0.24284571878647 1.008 > 18 19 H 0.73090765156549 0.00000000000000 0.24284571878647 1.008 > 19 20 H 0.50000000000000 0.76909234843451 0.24284571878647 1.008 > 20 21 H 0.00000000000000 0.26909234843451 0.75715428121353 1.008 > 21 22 H 0.00000000000000 0.73090765156549 0.75715428121353 1.008 > 22 23 H 0.23090765156549 0.50000000000000 0.75715428121353 1.008 > 23 24 H 0.76909234843451 0.50000000000000 0.75715428121353 1.008 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.303320340000001 Atomic positions (fractional): *1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 2 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 2 *5 La 0.50000000000000 0.00000000000000 0.47124085703382 138.905 > 3 6 La 0.50000000000000 0.00000000000000 0.97124085703382 138.905 > 3 7 La 0.00000000000000 0.50000000000000 0.02875914296618 138.905 > 4 8 La 0.00000000000000 0.50000000000000 0.52875914296618 138.905 > 4 *9 La 0.25000000000000 0.75000000000000 0.25000000000000 138.905 > 5 10 La 0.25000000000000 0.75000000000000 0.75000000000000 138.905 > 5 11 La 0.75000000000000 0.75000000000000 0.25000000000000 138.905 > 6 12 La 0.75000000000000 0.75000000000000 0.75000000000000 138.905 > 6 13 La 0.25000000000000 0.25000000000000 0.25000000000000 138.905 > 7 14 La 0.25000000000000 0.25000000000000 0.75000000000000 138.905 > 7 15 La 0.75000000000000 0.25000000000000 0.25000000000000 138.905 > 8 16 La 0.75000000000000 0.25000000000000 0.75000000000000 138.905 > 8 *17 O 0.50000000000000 0.26394326734787 0.37052705436525 15.999 > 9 18 O 0.50000000000000 0.26394326734787 0.87052705436525 15.999 > 9 19 O 0.23605673265213 0.00000000000000 0.37052705436525 15.999 > 10 20 O 0.23605673265213 0.00000000000000 0.87052705436525 15.999 > 10 21 O 0.76394326734787 0.00000000000000 0.37052705436525 15.999 > 11 22 O 0.76394326734787 0.00000000000000 0.87052705436525 15.999 > 11 23 O 0.50000000000000 0.73605673265213 0.37052705436525 15.999 > 12 24 O 0.50000000000000 0.73605673265213 0.87052705436525 15.999 > 12 25 O 0.00000000000000 0.23605673265213 0.12947294563475 15.999 > 13 26 O 0.00000000000000 0.23605673265213 0.62947294563475 15.999 > 13 27 O 0.00000000000000 0.76394326734787 0.12947294563475 15.999 > 14 28 O 0.00000000000000 0.76394326734787 0.62947294563475 15.999 > 14 29 O 0.26394326734787 0.50000000000000 0.12947294563475 15.999 > 15 30 O 0.26394326734787 0.50000000000000 0.62947294563475 15.999 > 15 31 O 0.73605673265213 0.50000000000000 0.12947294563475 15.999 > 16 32 O 0.73605673265213 0.50000000000000 0.62947294563475 15.999 > 16 *33 H 0.50000000000000 0.23090765156549 0.12142285939323 1.008 > 17 34 H 0.50000000000000 0.23090765156549 0.62142285939323 1.008 > 17 35 H 0.26909234843451 0.00000000000000 0.12142285939323 1.008 > 18 36 H 0.26909234843451 0.00000000000000 0.62142285939323 1.008 > 18 37 H 0.73090765156549 0.00000000000000 0.12142285939323 1.008 > 19 38 H 0.73090765156549 0.00000000000000 0.62142285939323 1.008 > 19 39 H 0.50000000000000 0.76909234843451 0.12142285939323 1.008 > 20 40 H 0.50000000000000 0.76909234843451 0.62142285939323 1.008 > 20 41 H 0.00000000000000 0.26909234843451 0.37857714060677 1.008 > 21 42 H 0.00000000000000 0.26909234843451 0.87857714060677 1.008 > 21 43 H 0.00000000000000 0.73090765156549 0.37857714060677 1.008 > 22 44 H 0.00000000000000 0.73090765156549 0.87857714060677 1.008 > 22 45 H 0.23090765156549 0.50000000000000 0.37857714060677 1.008 > 23 46 H 0.23090765156549 0.50000000000000 0.87857714060677 1.008 > 23 47 H 0.76909234843451 0.50000000000000 0.37857714060677 1.008 > 24 48 H 0.76909234843451 0.50000000000000 0.87857714060677 1.008 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9861088 0.0000000 0.0000000 0.0000000 4.9861088 0.0000000 0.0000000 0.0000000 4.8745021 -------------------------- Born effective charges -------------------------- 1 La 3.8731963 0.0000000 0.0000000 0.0000000 3.8731963 0.0000000 0.0000000 0.0000000 4.1168931 2 La 3.8731963 0.0000000 0.0000000 0.0000000 3.8731963 0.0000000 0.0000000 0.0000000 4.1168931 3 La 3.9569185 0.0000000 0.0000000 0.0000000 3.9569185 0.0000000 0.0000000 0.0000000 3.3346839 4 La 3.9569185 0.0000000 0.0000000 0.0000000 3.9569185 0.0000000 0.0000000 0.0000000 3.3346839 5 La 3.8909545 -0.0293843 0.4809118 -0.0293843 3.8909545 0.4809118 0.5853689 0.5853689 3.7580658 6 La 3.8909545 0.0293843 -0.4809118 0.0293843 3.8909545 0.4809118 -0.5853689 0.5853689 3.7580658 7 La 3.8909545 0.0293843 0.4809118 0.0293843 3.8909545 -0.4809118 0.5853689 -0.5853689 3.7580658 8 La 3.8909545 -0.0293843 -0.4809118 -0.0293843 3.8909545 -0.4809118 -0.5853689 -0.5853689 3.7580658 9 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 -0.1845399 0.0000000 -0.1507181 -2.7354050 10 O -2.9604078 0.0000000 0.1845399 0.0000000 -2.7754883 0.0000000 0.1507181 0.0000000 -2.7354050 11 O -2.9604078 0.0000000 -0.1845399 0.0000000 -2.7754883 0.0000000 -0.1507181 0.0000000 -2.7354050 12 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 0.1845399 0.0000000 0.1507181 -2.7354050 13 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 -0.1845399 0.0000000 -0.1507181 -2.7354050 14 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 0.1845399 0.0000000 0.1507181 -2.7354050 15 O -2.9604078 0.0000000 0.1845399 0.0000000 -2.7754883 0.0000000 0.1507181 0.0000000 -2.7354050 16 O -2.9604078 0.0000000 -0.1845399 0.0000000 -2.7754883 0.0000000 -0.1507181 0.0000000 -2.7354050 17 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 -0.0570054 0.0000000 -0.0114687 -1.0065221 18 H -0.9661933 0.0000000 0.0570054 0.0000000 -1.1039224 0.0000000 0.0114687 0.0000000 -1.0065221 19 H -0.9661933 0.0000000 -0.0570054 0.0000000 -1.1039224 0.0000000 -0.0114687 0.0000000 -1.0065221 20 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 0.0570054 0.0000000 0.0114687 -1.0065221 21 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 -0.0570054 0.0000000 -0.0114687 -1.0065221 22 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 0.0570054 0.0000000 0.0114687 -1.0065221 23 H -0.9661933 0.0000000 0.0570054 0.0000000 -1.1039224 0.0000000 0.0114687 0.0000000 -1.0065221 24 H -0.9661933 0.0000000 -0.0570054 0.0000000 -1.1039224 0.0000000 -0.0114687 0.0000000 -1.0065221 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 409 Number of blocks in projector: 413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 79 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 50 Use standard eigh solver. Tree of FC basis block matrices: - (409, 390), data: False |-- (50, 49), data: True |-- (79, 74), data: True |-- (136, 129), data: True |-- (144, 138), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.176 Solver_block: 200 / 240 - Time: 0.131 Solver_block: 240 / 240 - Time: 0.064 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.378 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 144/144 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 409 Number of blocks in projector: 413 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 79 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 50 Use standard eigh solver. Tree of FC basis block matrices: - (409, 390), data: False |-- (50, 49), data: True |-- (79, 74), data: True |-- (136, 129), data: True |-- (144, 138), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:55:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:55:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.651660170000000 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 2 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 3 La 0.50000000000000 0.00000000000000 0.94248171406764 138.905 4 La 0.00000000000000 0.50000000000000 0.05751828593236 138.905 5 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 6 La 0.75000000000000 0.75000000000000 0.50000000000000 138.905 7 La 0.25000000000000 0.25000000000000 0.50000000000000 138.905 8 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 9 O 0.50000000000000 0.26394326734787 0.74105410873050 15.999 10 O 0.23605673265213 0.00000000000000 0.74105410873050 15.999 11 O 0.76394326734787 0.00000000000000 0.74105410873050 15.999 12 O 0.50000000000000 0.73605673265213 0.74105410873050 15.999 13 O 0.00000000000000 0.23605673265213 0.25894589126950 15.999 14 O 0.00000000000000 0.76394326734787 0.25894589126950 15.999 15 O 0.26394326734787 0.50000000000000 0.25894589126950 15.999 16 O 0.73605673265213 0.50000000000000 0.25894589126950 15.999 17 H 0.50000000000000 0.23090765156549 0.24284571878647 1.008 18 H 0.26909234843451 0.00000000000000 0.24284571878647 1.008 19 H 0.73090765156549 0.00000000000000 0.24284571878647 1.008 20 H 0.50000000000000 0.76909234843451 0.24284571878647 1.008 21 H 0.00000000000000 0.26909234843451 0.75715428121353 1.008 22 H 0.00000000000000 0.73090765156549 0.75715428121353 1.008 23 H 0.23090765156549 0.50000000000000 0.75715428121353 1.008 24 H 0.76909234843451 0.50000000000000 0.75715428121353 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.303320340000001 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 3 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 3 5 La 0.50000000000000 0.00000000000000 0.47124085703382 138.905 > 5 6 La 0.50000000000000 0.00000000000000 0.97124085703382 138.905 > 5 7 La 0.00000000000000 0.50000000000000 0.02875914296618 138.905 > 7 8 La 0.00000000000000 0.50000000000000 0.52875914296618 138.905 > 7 9 La 0.25000000000000 0.75000000000000 0.25000000000000 138.905 > 9 10 La 0.25000000000000 0.75000000000000 0.75000000000000 138.905 > 9 11 La 0.75000000000000 0.75000000000000 0.25000000000000 138.905 > 11 12 La 0.75000000000000 0.75000000000000 0.75000000000000 138.905 > 11 13 La 0.25000000000000 0.25000000000000 0.25000000000000 138.905 > 13 14 La 0.25000000000000 0.25000000000000 0.75000000000000 138.905 > 13 15 La 0.75000000000000 0.25000000000000 0.25000000000000 138.905 > 15 16 La 0.75000000000000 0.25000000000000 0.75000000000000 138.905 > 15 17 O 0.50000000000000 0.26394326734787 0.37052705436525 15.999 > 17 18 O 0.50000000000000 0.26394326734787 0.87052705436525 15.999 > 17 19 O 0.23605673265213 0.00000000000000 0.37052705436525 15.999 > 19 20 O 0.23605673265213 0.00000000000000 0.87052705436525 15.999 > 19 21 O 0.76394326734787 0.00000000000000 0.37052705436525 15.999 > 21 22 O 0.76394326734787 0.00000000000000 0.87052705436525 15.999 > 21 23 O 0.50000000000000 0.73605673265213 0.37052705436525 15.999 > 23 24 O 0.50000000000000 0.73605673265213 0.87052705436525 15.999 > 23 25 O 0.00000000000000 0.23605673265213 0.12947294563475 15.999 > 25 26 O 0.00000000000000 0.23605673265213 0.62947294563475 15.999 > 25 27 O 0.00000000000000 0.76394326734787 0.12947294563475 15.999 > 27 28 O 0.00000000000000 0.76394326734787 0.62947294563475 15.999 > 27 29 O 0.26394326734787 0.50000000000000 0.12947294563475 15.999 > 29 30 O 0.26394326734787 0.50000000000000 0.62947294563475 15.999 > 29 31 O 0.73605673265213 0.50000000000000 0.12947294563475 15.999 > 31 32 O 0.73605673265213 0.50000000000000 0.62947294563475 15.999 > 31 33 H 0.50000000000000 0.23090765156549 0.12142285939323 1.008 > 33 34 H 0.50000000000000 0.23090765156549 0.62142285939323 1.008 > 33 35 H 0.26909234843451 0.00000000000000 0.12142285939323 1.008 > 35 36 H 0.26909234843451 0.00000000000000 0.62142285939323 1.008 > 35 37 H 0.73090765156549 0.00000000000000 0.12142285939323 1.008 > 37 38 H 0.73090765156549 0.00000000000000 0.62142285939323 1.008 > 37 39 H 0.50000000000000 0.76909234843451 0.12142285939323 1.008 > 39 40 H 0.50000000000000 0.76909234843451 0.62142285939323 1.008 > 39 41 H 0.00000000000000 0.26909234843451 0.37857714060677 1.008 > 41 42 H 0.00000000000000 0.26909234843451 0.87857714060677 1.008 > 41 43 H 0.00000000000000 0.73090765156549 0.37857714060677 1.008 > 43 44 H 0.00000000000000 0.73090765156549 0.87857714060677 1.008 > 43 45 H 0.23090765156549 0.50000000000000 0.37857714060677 1.008 > 45 46 H 0.23090765156549 0.50000000000000 0.87857714060677 1.008 > 45 47 H 0.76909234843451 0.50000000000000 0.37857714060677 1.008 > 47 48 H 0.76909234843451 0.50000000000000 0.87857714060677 1.008 > 47 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9861088 0.0000000 0.0000000 0.0000000 4.9861088 0.0000000 0.0000000 0.0000000 4.8745021 -------------------------- Born effective charges -------------------------- 1 La 3.8731963 0.0000000 0.0000000 0.0000000 3.8731963 0.0000000 0.0000000 0.0000000 4.1168931 2 La 3.8731963 0.0000000 0.0000000 0.0000000 3.8731963 0.0000000 0.0000000 0.0000000 4.1168931 3 La 3.9569185 0.0000000 0.0000000 0.0000000 3.9569185 0.0000000 0.0000000 0.0000000 3.3346839 4 La 3.9569185 0.0000000 0.0000000 0.0000000 3.9569185 0.0000000 0.0000000 0.0000000 3.3346839 5 La 3.8909545 -0.0293843 0.4809118 -0.0293843 3.8909545 0.4809118 0.5853689 0.5853689 3.7580658 6 La 3.8909545 0.0293843 -0.4809118 0.0293843 3.8909545 0.4809118 -0.5853689 0.5853689 3.7580658 7 La 3.8909545 0.0293843 0.4809118 0.0293843 3.8909545 -0.4809118 0.5853689 -0.5853689 3.7580658 8 La 3.8909545 -0.0293843 -0.4809118 -0.0293843 3.8909545 -0.4809118 -0.5853689 -0.5853689 3.7580658 9 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 -0.1845399 0.0000000 -0.1507181 -2.7354050 10 O -2.9604078 0.0000000 0.1845399 0.0000000 -2.7754883 0.0000000 0.1507181 0.0000000 -2.7354050 11 O -2.9604078 0.0000000 -0.1845399 0.0000000 -2.7754883 0.0000000 -0.1507181 0.0000000 -2.7354050 12 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 0.1845399 0.0000000 0.1507181 -2.7354050 13 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 -0.1845399 0.0000000 -0.1507181 -2.7354050 14 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 0.1845399 0.0000000 0.1507181 -2.7354050 15 O -2.9604078 0.0000000 0.1845399 0.0000000 -2.7754883 0.0000000 0.1507181 0.0000000 -2.7354050 16 O -2.9604078 0.0000000 -0.1845399 0.0000000 -2.7754883 0.0000000 -0.1507181 0.0000000 -2.7354050 17 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 -0.0570054 0.0000000 -0.0114687 -1.0065221 18 H -0.9661933 0.0000000 0.0570054 0.0000000 -1.1039224 0.0000000 0.0114687 0.0000000 -1.0065221 19 H -0.9661933 0.0000000 -0.0570054 0.0000000 -1.1039224 0.0000000 -0.0114687 0.0000000 -1.0065221 20 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 0.0570054 0.0000000 0.0114687 -1.0065221 21 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 -0.0570054 0.0000000 -0.0114687 -1.0065221 22 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 0.0570054 0.0000000 0.0114687 -1.0065221 23 H -0.9661933 0.0000000 0.0570054 0.0000000 -1.1039224 0.0000000 0.0114687 0.0000000 -1.0065221 24 H -0.9661933 0.0000000 -0.0570054 0.0000000 -1.1039224 0.0000000 -0.0114687 0.0000000 -1.0065221 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxz) 0.00000001 (xxz) 0.00000001 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency 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 06:55:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:55:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.651660170000000 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 2 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 3 La 0.50000000000000 0.00000000000000 0.94248171406764 138.905 4 La 0.00000000000000 0.50000000000000 0.05751828593236 138.905 5 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 6 La 0.75000000000000 0.75000000000000 0.50000000000000 138.905 7 La 0.25000000000000 0.25000000000000 0.50000000000000 138.905 8 La 0.75000000000000 0.25000000000000 0.50000000000000 138.905 9 O 0.50000000000000 0.26394326734787 0.74105410873050 15.999 10 O 0.23605673265213 0.00000000000000 0.74105410873050 15.999 11 O 0.76394326734787 0.00000000000000 0.74105410873050 15.999 12 O 0.50000000000000 0.73605673265213 0.74105410873050 15.999 13 O 0.00000000000000 0.23605673265213 0.25894589126950 15.999 14 O 0.00000000000000 0.76394326734787 0.25894589126950 15.999 15 O 0.26394326734787 0.50000000000000 0.25894589126950 15.999 16 O 0.73605673265213 0.50000000000000 0.25894589126950 15.999 17 H 0.50000000000000 0.23090765156549 0.24284571878647 1.008 18 H 0.26909234843451 0.00000000000000 0.24284571878647 1.008 19 H 0.73090765156549 0.00000000000000 0.24284571878647 1.008 20 H 0.50000000000000 0.76909234843451 0.24284571878647 1.008 21 H 0.00000000000000 0.26909234843451 0.75715428121353 1.008 22 H 0.00000000000000 0.73090765156549 0.75715428121353 1.008 23 H 0.23090765156549 0.50000000000000 0.75715428121353 1.008 24 H 0.76909234843451 0.50000000000000 0.75715428121353 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.994048190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.994048190000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.303320340000001 Atomic positions (fractional): 1 La 0.00000000000000 0.00000000000000 0.00000000000000 138.905 > 1 2 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 1 3 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 > 3 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 > 3 5 La 0.50000000000000 0.00000000000000 0.47124085703382 138.905 > 5 6 La 0.50000000000000 0.00000000000000 0.97124085703382 138.905 > 5 7 La 0.00000000000000 0.50000000000000 0.02875914296618 138.905 > 7 8 La 0.00000000000000 0.50000000000000 0.52875914296618 138.905 > 7 9 La 0.25000000000000 0.75000000000000 0.25000000000000 138.905 > 9 10 La 0.25000000000000 0.75000000000000 0.75000000000000 138.905 > 9 11 La 0.75000000000000 0.75000000000000 0.25000000000000 138.905 > 11 12 La 0.75000000000000 0.75000000000000 0.75000000000000 138.905 > 11 13 La 0.25000000000000 0.25000000000000 0.25000000000000 138.905 > 13 14 La 0.25000000000000 0.25000000000000 0.75000000000000 138.905 > 13 15 La 0.75000000000000 0.25000000000000 0.25000000000000 138.905 > 15 16 La 0.75000000000000 0.25000000000000 0.75000000000000 138.905 > 15 17 O 0.50000000000000 0.26394326734787 0.37052705436525 15.999 > 17 18 O 0.50000000000000 0.26394326734787 0.87052705436525 15.999 > 17 19 O 0.23605673265213 0.00000000000000 0.37052705436525 15.999 > 19 20 O 0.23605673265213 0.00000000000000 0.87052705436525 15.999 > 19 21 O 0.76394326734787 0.00000000000000 0.37052705436525 15.999 > 21 22 O 0.76394326734787 0.00000000000000 0.87052705436525 15.999 > 21 23 O 0.50000000000000 0.73605673265213 0.37052705436525 15.999 > 23 24 O 0.50000000000000 0.73605673265213 0.87052705436525 15.999 > 23 25 O 0.00000000000000 0.23605673265213 0.12947294563475 15.999 > 25 26 O 0.00000000000000 0.23605673265213 0.62947294563475 15.999 > 25 27 O 0.00000000000000 0.76394326734787 0.12947294563475 15.999 > 27 28 O 0.00000000000000 0.76394326734787 0.62947294563475 15.999 > 27 29 O 0.26394326734787 0.50000000000000 0.12947294563475 15.999 > 29 30 O 0.26394326734787 0.50000000000000 0.62947294563475 15.999 > 29 31 O 0.73605673265213 0.50000000000000 0.12947294563475 15.999 > 31 32 O 0.73605673265213 0.50000000000000 0.62947294563475 15.999 > 31 33 H 0.50000000000000 0.23090765156549 0.12142285939323 1.008 > 33 34 H 0.50000000000000 0.23090765156549 0.62142285939323 1.008 > 33 35 H 0.26909234843451 0.00000000000000 0.12142285939323 1.008 > 35 36 H 0.26909234843451 0.00000000000000 0.62142285939323 1.008 > 35 37 H 0.73090765156549 0.00000000000000 0.12142285939323 1.008 > 37 38 H 0.73090765156549 0.00000000000000 0.62142285939323 1.008 > 37 39 H 0.50000000000000 0.76909234843451 0.12142285939323 1.008 > 39 40 H 0.50000000000000 0.76909234843451 0.62142285939323 1.008 > 39 41 H 0.00000000000000 0.26909234843451 0.37857714060677 1.008 > 41 42 H 0.00000000000000 0.26909234843451 0.87857714060677 1.008 > 41 43 H 0.00000000000000 0.73090765156549 0.37857714060677 1.008 > 43 44 H 0.00000000000000 0.73090765156549 0.87857714060677 1.008 > 43 45 H 0.23090765156549 0.50000000000000 0.37857714060677 1.008 > 45 46 H 0.23090765156549 0.50000000000000 0.87857714060677 1.008 > 45 47 H 0.76909234843451 0.50000000000000 0.37857714060677 1.008 > 47 48 H 0.76909234843451 0.50000000000000 0.87857714060677 1.008 > 47 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9861088 0.0000000 0.0000000 0.0000000 4.9861088 0.0000000 0.0000000 0.0000000 4.8745021 -------------------------- Born effective charges -------------------------- 1 La 3.8731963 0.0000000 0.0000000 0.0000000 3.8731963 0.0000000 0.0000000 0.0000000 4.1168931 2 La 3.8731963 0.0000000 0.0000000 0.0000000 3.8731963 0.0000000 0.0000000 0.0000000 4.1168931 3 La 3.9569185 0.0000000 0.0000000 0.0000000 3.9569185 0.0000000 0.0000000 0.0000000 3.3346839 4 La 3.9569185 0.0000000 0.0000000 0.0000000 3.9569185 0.0000000 0.0000000 0.0000000 3.3346839 5 La 3.8909545 -0.0293843 0.4809118 -0.0293843 3.8909545 0.4809118 0.5853689 0.5853689 3.7580658 6 La 3.8909545 0.0293843 -0.4809118 0.0293843 3.8909545 0.4809118 -0.5853689 0.5853689 3.7580658 7 La 3.8909545 0.0293843 0.4809118 0.0293843 3.8909545 -0.4809118 0.5853689 -0.5853689 3.7580658 8 La 3.8909545 -0.0293843 -0.4809118 -0.0293843 3.8909545 -0.4809118 -0.5853689 -0.5853689 3.7580658 9 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 -0.1845399 0.0000000 -0.1507181 -2.7354050 10 O -2.9604078 0.0000000 0.1845399 0.0000000 -2.7754883 0.0000000 0.1507181 0.0000000 -2.7354050 11 O -2.9604078 0.0000000 -0.1845399 0.0000000 -2.7754883 0.0000000 -0.1507181 0.0000000 -2.7354050 12 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 0.1845399 0.0000000 0.1507181 -2.7354050 13 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 -0.1845399 0.0000000 -0.1507181 -2.7354050 14 O -2.7754883 0.0000000 0.0000000 0.0000000 -2.9604078 0.1845399 0.0000000 0.1507181 -2.7354050 15 O -2.9604078 0.0000000 0.1845399 0.0000000 -2.7754883 0.0000000 0.1507181 0.0000000 -2.7354050 16 O -2.9604078 0.0000000 -0.1845399 0.0000000 -2.7754883 0.0000000 -0.1507181 0.0000000 -2.7354050 17 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 -0.0570054 0.0000000 -0.0114687 -1.0065221 18 H -0.9661933 0.0000000 0.0570054 0.0000000 -1.1039224 0.0000000 0.0114687 0.0000000 -1.0065221 19 H -0.9661933 0.0000000 -0.0570054 0.0000000 -1.1039224 0.0000000 -0.0114687 0.0000000 -1.0065221 20 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 0.0570054 0.0000000 0.0114687 -1.0065221 21 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 -0.0570054 0.0000000 -0.0114687 -1.0065221 22 H -1.1039224 0.0000000 0.0000000 0.0000000 -0.9661933 0.0570054 0.0000000 0.0114687 -1.0065221 23 H -0.9661933 0.0000000 0.0570054 0.0000000 -1.1039224 0.0000000 0.0114687 0.0000000 -1.0065221 24 H -0.9661933 0.0000000 -0.0570054 0.0000000 -1.1039224 0.0000000 -0.0114687 0.0000000 -1.0065221 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxz) 0.00000001 (xxz) 0.00000001 (xzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 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: 0.58, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 -0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 -0.000 -0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.385 ( -0.000 0.000 0.000) 0.000 3.385 ( 0.000 -0.000 -0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.759 ( -0.000 0.000 -0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 -0.000) 0.000 3.957 ( 0.000 0.000 -0.000) 0.000 3.957 ( 0.000 -0.000 0.000) 0.000 3.983 ( 0.000 0.000 -0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 -0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.112 ( -0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 -0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.648 ( -0.000 0.000 0.000) 0.000 7.648 ( -0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 -0.000) 0.000 8.479 ( 0.000 -0.000 -0.000) 0.000 8.479 ( -0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 -0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 -0.000) 0.000 9.074 ( 0.000 -0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 -0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 -0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 -0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 -0.000) 0.000 21.396 ( 0.000 0.000 -0.000) 0.000 21.919 ( 0.000 0.000 0.000) 0.000 22.372 ( 0.000 0.000 0.000) 0.000 22.372 ( 0.000 0.000 0.000) 0.000 23.350 ( -0.000 0.000 -0.000) 0.000 23.350 ( 0.000 -0.000 0.000) 0.000 24.147 ( 0.000 0.000 -0.000) 0.000 24.147 ( 0.000 -0.000 0.000) 0.000 24.341 ( 0.000 0.000 -0.000) 0.000 25.083 ( 0.000 0.000 -0.000) 0.000 25.107 ( 0.000 0.000 0.000) 0.000 25.339 ( 0.000 0.000 0.000) 0.000 26.932 ( 0.000 0.000 0.000) 0.000 27.229 ( 0.000 0.000 0.000) 0.000 27.229 ( -0.000 0.000 -0.000) 0.000 27.321 ( 0.000 0.000 0.000) 0.000 28.010 ( 0.000 0.000 0.000) 0.000 28.469 ( 0.000 0.000 0.000) 0.000 28.469 ( 0.000 0.000 0.000) 0.000 28.742 ( 0.000 0.000 0.000) 0.000 28.742 ( 0.000 -0.000 0.000) 0.000 29.295 ( 0.000 0.000 -0.000) 0.000 29.774 ( 0.000 0.000 0.000) 0.000 29.979 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 29.207 0.000 0.000) 29.207 0.613 ( 28.862 0.000 0.000) 28.862 1.239 ( 57.993 0.000 0.000) 57.993 2.540 ( -15.070 0.000 0.000) 15.070 2.886 ( 8.711 0.000 0.000) 8.711 3.046 ( 7.621 0.000 0.000) 7.621 3.111 ( 8.214 0.000 0.000) 8.214 3.121 ( -24.481 0.000 0.000) 24.481 3.383 ( -0.206 0.000 0.000) 0.206 3.712 ( -3.733 0.000 0.000) 3.733 3.719 ( -3.862 0.000 0.000) 3.862 3.784 ( 0.547 0.000 0.000) 0.547 3.860 ( 7.364 0.000 0.000) 7.364 3.879 ( 0.585 0.000 0.000) 0.585 3.943 ( -1.346 0.000 0.000) 1.346 4.044 ( -0.687 0.000 0.000) 0.687 4.539 ( 23.995 0.000 0.000) 23.995 4.738 ( -15.723 0.000 0.000) 15.723 4.973 ( 1.346 0.000 0.000) 1.346 5.084 ( -3.070 0.000 0.000) 3.070 5.213 ( 9.324 0.000 0.000) 9.324 6.383 ( -7.809 0.000 0.000) 7.809 6.388 ( -7.302 0.000 0.000) 7.302 6.411 ( -6.355 0.000 0.000) 6.355 6.970 ( 11.071 0.000 0.000) 11.071 7.607 ( -15.879 0.000 0.000) 15.879 7.651 ( 0.168 0.000 0.000) 0.168 7.712 ( -14.870 0.000 0.000) 14.870 8.321 ( -5.406 0.000 0.000) 5.406 8.459 ( -0.820 0.000 0.000) 0.820 8.532 ( 8.868 0.000 0.000) 8.868 8.595 ( -27.089 0.000 0.000) 27.089 8.769 ( 5.116 0.000 0.000) 5.116 8.891 ( -0.917 0.000 0.000) 0.917 8.947 ( -9.984 0.000 0.000) 9.984 9.144 ( -3.661 0.000 0.000) 3.661 9.419 ( 19.226 0.000 0.000) 19.226 9.759 ( 8.209 0.000 0.000) 8.209 9.857 ( 1.126 0.000 0.000) 1.126 9.919 ( 13.906 0.000 0.000) 13.906 10.492 ( 40.636 0.000 0.000) 40.636 11.106 ( -4.301 0.000 0.000) 4.301 12.193 ( -21.264 0.000 0.000) 21.264 12.450 ( -2.702 0.000 0.000) 2.702 12.663 ( -4.113 0.000 0.000) 4.113 12.827 ( -7.000 0.000 0.000) 7.000 12.904 ( -0.524 0.000 0.000) 0.524 12.957 ( 7.053 0.000 0.000) 7.053 21.467 ( 6.872 0.000 0.000) 6.872 22.082 ( 14.744 0.000 0.000) 14.744 22.409 ( 3.508 0.000 0.000) 3.508 23.050 ( -23.098 0.000 0.000) 23.098 23.279 ( -5.991 0.000 0.000) 5.991 23.967 ( 6.994 0.000 0.000) 6.994 24.036 ( -10.470 0.000 0.000) 10.470 24.495 ( 7.581 0.000 0.000) 7.581 25.164 ( 7.325 0.000 0.000) 7.325 25.243 ( 14.436 0.000 0.000) 14.436 25.404 ( 5.389 0.000 0.000) 5.389 26.852 ( 4.741 0.000 0.000) 4.741 26.975 ( 4.146 0.000 0.000) 4.146 27.176 ( -9.996 0.000 0.000) 9.996 27.300 ( 6.703 0.000 0.000) 6.703 27.839 ( -5.771 0.000 0.000) 5.771 28.121 ( 7.856 0.000 0.000) 7.856 28.371 ( -9.113 0.000 0.000) 9.113 28.427 ( -4.994 0.000 0.000) 4.994 28.632 ( -8.810 0.000 0.000) 8.810 28.762 ( 2.214 0.000 0.000) 2.214 29.357 ( 5.252 0.000 0.000) 5.252 29.665 ( -10.036 0.000 0.000) 10.036 29.930 ( -4.496 0.000 0.000) 4.496 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 26.696 0.000 0.000) 26.696 1.222 ( 30.529 0.000 0.000) 30.529 2.172 ( -19.842 0.000 0.000) 19.842 2.380 ( 45.922 0.000 0.000) 45.922 2.534 ( -25.090 0.000 0.000) 25.090 3.123 ( 12.696 0.000 0.000) 12.696 3.243 ( 10.444 0.000 0.000) 10.444 3.255 ( 5.575 0.000 0.000) 5.575 3.371 ( -1.169 0.000 0.000) 1.169 3.597 ( -7.844 0.000 0.000) 7.844 3.612 ( -6.169 0.000 0.000) 6.169 3.807 ( 1.716 0.000 0.000) 1.716 3.848 ( -6.507 0.000 0.000) 6.507 3.904 ( -2.289 0.000 0.000) 2.289 4.016 ( -0.049 0.000 0.000) 0.049 4.153 ( 16.975 0.000 0.000) 16.975 4.297 ( -23.327 0.000 0.000) 23.327 4.857 ( -12.404 0.000 0.000) 12.404 4.991 ( 17.926 0.000 0.000) 17.926 5.131 ( 6.509 0.000 0.000) 6.509 5.478 ( 15.408 0.000 0.000) 15.408 6.152 ( -13.984 0.000 0.000) 13.984 6.200 ( -9.235 0.000 0.000) 9.235 6.237 ( -9.344 0.000 0.000) 9.344 7.255 ( 14.675 0.000 0.000) 14.675 7.342 ( -8.602 0.000 0.000) 8.602 7.415 ( -11.701 0.000 0.000) 11.701 7.636 ( -2.408 0.000 0.000) 2.408 8.114 ( -9.775 0.000 0.000) 9.775 8.145 ( -14.590 0.000 0.000) 14.590 8.471 ( 2.225 0.000 0.000) 2.225 8.729 ( -9.958 0.000 0.000) 9.958 8.741 ( 7.817 0.000 0.000) 7.817 8.868 ( 4.009 0.000 0.000) 4.009 8.878 ( -0.778 0.000 0.000) 0.778 9.048 ( -5.141 0.000 0.000) 5.141 9.857 ( 20.740 0.000 0.000) 20.740 9.902 ( 3.068 0.000 0.000) 3.068 9.912 ( 5.263 0.000 0.000) 5.263 10.219 ( 10.973 0.000 0.000) 10.973 11.029 ( -0.278 0.000 0.000) 0.278 11.331 ( 37.829 0.000 0.000) 37.829 11.705 ( -24.293 0.000 0.000) 24.293 12.407 ( -0.405 0.000 0.000) 0.405 12.474 ( -15.031 0.000 0.000) 15.031 12.641 ( -9.791 0.000 0.000) 9.791 12.924 ( 2.731 0.000 0.000) 2.731 13.036 ( 0.548 0.000 0.000) 0.548 21.687 ( 14.207 0.000 0.000) 14.207 22.451 ( 17.189 0.000 0.000) 17.189 22.511 ( 5.830 0.000 0.000) 5.830 22.535 ( -24.775 0.000 0.000) 24.775 23.163 ( -2.484 0.000 0.000) 2.484 23.728 ( -18.383 0.000 0.000) 18.383 24.157 ( 10.498 0.000 0.000) 10.498 24.523 ( -4.053 0.000 0.000) 4.053 25.352 ( 9.473 0.000 0.000) 9.473 25.511 ( 3.437 0.000 0.000) 3.437 25.686 ( 25.494 0.000 0.000) 25.494 26.691 ( -19.001 0.000 0.000) 19.001 27.103 ( 7.940 0.000 0.000) 7.940 27.213 ( 10.755 0.000 0.000) 10.755 27.499 ( 12.077 0.000 0.000) 12.077 27.703 ( -5.327 0.000 0.000) 5.327 28.113 ( -14.837 0.000 0.000) 14.837 28.190 ( -17.180 0.000 0.000) 17.180 28.279 ( 6.710 0.000 0.000) 6.710 28.487 ( -4.629 0.000 0.000) 4.629 28.855 ( 7.254 0.000 0.000) 7.254 29.388 ( -15.383 0.000 0.000) 15.383 29.490 ( 7.206 0.000 0.000) 7.206 29.805 ( -7.096 0.000 0.000) 7.096 ======================= Grid point 3 (4/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -23.558 0.000 0.000) 23.558 1.719 ( 23.558 0.000 0.000) 23.558 1.869 ( -31.379 0.000 0.000) 31.379 1.869 ( 31.379 0.000 0.000) 31.379 3.325 ( -3.862 0.000 0.000) 3.862 3.325 ( 3.862 0.000 0.000) 3.862 3.354 ( -38.654 0.000 0.000) 38.654 3.354 ( 38.654 0.000 0.000) 38.654 3.398 ( -10.506 0.000 0.000) 10.506 3.398 ( 10.506 0.000 0.000) 10.506 3.453 ( -8.595 0.000 0.000) 8.595 3.453 ( 8.595 0.000 0.000) 8.595 3.852 ( -2.498 0.000 0.000) 2.498 3.852 ( 2.498 0.000 0.000) 2.498 4.033 ( -3.054 0.000 0.000) 3.054 4.033 ( 3.054 0.000 0.000) 3.054 4.531 ( -17.883 0.000 0.000) 17.883 4.531 ( 17.883 0.000 0.000) 17.883 5.212 ( -1.950 0.000 0.000) 1.950 5.212 ( 1.950 0.000 0.000) 1.950 5.823 ( -16.914 0.000 0.000) 16.914 5.823 ( 16.914 0.000 0.000) 16.914 6.098 ( -1.552 0.000 0.000) 1.552 6.098 ( 1.552 0.000 0.000) 1.552 7.269 ( -1.839 0.000 0.000) 1.839 7.269 ( 1.839 0.000 0.000) 1.839 7.518 ( -9.420 0.000 0.000) 9.420 7.518 ( 9.420 0.000 0.000) 9.420 7.998 ( -0.086 0.000 0.000) 0.086 7.998 ( 0.086 0.000 0.000) 0.086 8.558 ( -6.198 0.000 0.000) 6.198 8.558 ( 6.198 0.000 0.000) 6.198 8.846 ( -2.747 0.000 0.000) 2.747 8.846 ( 2.747 0.000 0.000) 2.747 8.948 ( -4.187 0.000 0.000) 4.187 8.948 ( 4.187 0.000 0.000) 4.187 9.955 ( -0.977 0.000 0.000) 0.977 9.955 ( 0.977 0.000 0.000) 0.977 10.213 ( -11.363 0.000 0.000) 11.363 10.213 ( 11.363 0.000 0.000) 11.363 11.230 ( -19.003 0.000 0.000) 19.003 11.230 ( 19.003 0.000 0.000) 19.003 12.025 ( -27.803 0.000 0.000) 27.803 12.025 ( 27.803 0.000 0.000) 27.803 12.465 ( -6.119 0.000 0.000) 6.119 12.465 ( 6.119 0.000 0.000) 6.119 12.998 ( -3.517 0.000 0.000) 3.517 12.998 ( 3.517 0.000 0.000) 3.517 22.054 ( -20.759 0.000 0.000) 20.759 22.054 ( 20.759 0.000 0.000) 20.759 22.614 ( -1.938 0.000 0.000) 1.938 22.614 ( 1.938 0.000 0.000) 1.938 23.325 ( -17.601 0.000 0.000) 17.601 23.325 ( 17.601 0.000 0.000) 17.601 24.373 ( -9.517 0.000 0.000) 9.517 24.373 ( 9.517 0.000 0.000) 9.517 25.506 ( -4.238 0.000 0.000) 4.238 25.506 ( 4.238 0.000 0.000) 4.238 26.223 ( -24.867 0.000 0.000) 24.867 26.223 ( 24.867 0.000 0.000) 24.867 27.275 ( -6.449 0.000 0.000) 6.449 27.275 ( 6.449 0.000 0.000) 6.449 27.790 ( -15.386 0.000 0.000) 15.386 27.790 ( 15.386 0.000 0.000) 15.386 27.810 ( -16.224 0.000 0.000) 16.224 27.810 ( 16.224 0.000 0.000) 16.224 28.396 ( -4.679 0.000 0.000) 4.679 28.396 ( 4.679 0.000 0.000) 4.679 29.074 ( -13.541 0.000 0.000) 13.541 29.074 ( 13.541 0.000 0.000) 13.541 29.648 ( -7.745 0.000 0.000) 7.745 29.648 ( 7.745 0.000 0.000) 7.745 ======================= Grid point 8 (5/50) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 19.547 19.547 0.000) 27.643 0.882 ( 20.803 20.803 0.000) 29.421 1.736 ( 40.206 40.206 0.000) 56.859 2.610 ( -2.634 -2.634 0.000) 3.725 2.702 ( -2.837 -2.837 0.000) 4.013 3.088 ( -12.459 -12.459 0.000) 17.620 3.170 ( -9.976 -9.976 0.000) 14.108 3.190 ( 8.106 8.106 0.000) 11.464 3.192 ( 6.710 6.710 0.000) 9.489 3.605 ( -6.944 -6.944 0.000) 9.821 3.678 ( -5.746 -5.746 0.000) 8.127 3.712 ( -2.107 -2.107 0.000) 2.979 3.784 ( -0.043 -0.043 0.000) 0.061 3.910 ( 7.022 7.022 0.000) 9.930 3.995 ( 6.635 6.635 0.000) 9.384 4.465 ( 11.433 11.433 0.000) 16.168 4.546 ( 9.947 9.947 0.000) 14.067 4.791 ( -2.822 -2.822 0.000) 3.991 4.852 ( -4.590 -4.590 0.000) 6.491 5.145 ( -0.042 -0.042 0.000) 0.059 5.154 ( 1.078 1.078 0.000) 1.524 6.298 ( -8.089 -8.089 0.000) 11.439 6.307 ( -7.274 -7.274 0.000) 10.286 6.344 ( -6.275 -6.275 0.000) 8.875 6.992 ( 0.169 0.169 0.000) 0.239 7.057 ( -17.680 -17.680 0.000) 25.004 7.604 ( -6.683 -6.683 0.000) 9.451 8.136 ( -10.219 -10.219 0.000) 14.452 8.138 ( 11.917 11.917 0.000) 16.853 8.271 ( -11.114 -11.114 0.000) 15.718 8.384 ( -15.900 -15.900 0.000) 22.486 8.671 ( -11.326 -11.326 0.000) 16.017 8.689 ( 7.687 7.687 0.000) 10.871 8.964 ( 12.189 12.189 0.000) 17.237 9.012 ( 0.987 0.987 0.000) 1.396 9.310 ( 5.594 5.594 0.000) 7.912 9.465 ( 10.209 10.209 0.000) 14.438 9.840 ( 6.613 6.613 0.000) 9.352 9.879 ( 5.412 5.412 0.000) 7.653 10.003 ( 6.135 6.135 0.000) 8.676 10.864 ( 29.891 29.891 0.000) 42.272 11.054 ( -4.635 -4.635 0.000) 6.555 12.113 ( -12.547 -12.547 0.000) 17.744 12.196 ( -14.938 -14.938 0.000) 21.125 12.217 ( -11.706 -11.706 0.000) 16.555 12.855 ( -2.615 -2.615 0.000) 3.698 13.090 ( 7.981 7.981 0.000) 11.287 13.237 ( 7.355 7.355 0.000) 10.402 21.526 ( 5.824 5.824 0.000) 8.236 22.247 ( 14.892 14.892 0.000) 21.061 22.414 ( 1.641 1.641 0.000) 2.321 22.933 ( -15.012 -15.012 0.000) 21.230 23.069 ( -11.221 -11.221 0.000) 15.868 23.960 ( -7.575 -7.575 0.000) 10.713 24.140 ( 11.512 11.512 0.000) 16.281 24.695 ( 12.068 12.068 0.000) 17.066 25.225 ( 5.751 5.751 0.000) 8.134 25.268 ( 5.484 5.484 0.000) 7.756 25.495 ( 7.354 7.354 0.000) 10.400 26.804 ( -3.354 -3.354 0.000) 4.744 27.016 ( 3.909 3.909 0.000) 5.528 27.126 ( -1.973 -1.973 0.000) 2.790 27.287 ( 2.287 2.287 0.000) 3.234 27.992 ( -0.698 -0.698 0.000) 0.987 28.026 ( 2.524 2.524 0.000) 3.570 28.333 ( -5.650 -5.650 0.000) 7.991 28.359 ( -5.336 -5.336 0.000) 7.546 28.531 ( -9.506 -9.506 0.000) 13.444 28.745 ( 0.242 0.242 0.000) 0.343 29.409 ( 4.440 4.440 0.000) 6.279 29.574 ( -9.085 -9.085 0.000) 12.848 29.889 ( -3.749 -3.749 0.000) 5.302 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 26.252 9.863 0.000) 28.044 1.358 ( 23.424 14.178 0.000) 27.380 2.297 ( -18.516 10.798 0.000) 21.434 2.552 ( -28.220 3.477 0.000) 28.433 2.661 ( 44.402 23.581 0.000) 50.275 2.910 ( 13.077 -14.023 0.000) 19.174 3.178 ( 2.532 -19.824 0.000) 19.985 3.288 ( 1.371 0.349 0.000) 1.415 3.382 ( 9.733 6.785 0.000) 11.865 3.431 ( -9.693 -10.178 0.000) 14.055 3.602 ( -0.797 -6.597 0.000) 6.645 3.664 ( -3.270 0.464 0.000) 3.302 3.751 ( -3.037 2.955 0.000) 4.238 4.061 ( -5.376 11.706 0.000) 12.881 4.181 ( 16.864 3.539 0.000) 17.231 4.442 ( -2.985 22.282 0.000) 22.481 4.454 ( -16.155 12.037 0.000) 20.146 4.882 ( -9.014 0.763 0.000) 9.046 4.948 ( 17.108 -3.862 0.000) 17.539 5.052 ( 4.347 -5.471 0.000) 6.987 5.384 ( 14.672 -8.547 0.000) 16.980 6.060 ( -14.333 -8.560 0.000) 16.695 6.120 ( -9.137 -7.394 0.000) 11.754 6.170 ( -9.428 -6.251 0.000) 11.312 6.816 ( -6.491 -25.795 0.000) 26.599 6.903 ( -7.585 -20.428 0.000) 21.791 7.554 ( 1.348 -1.975 0.000) 2.391 7.851 ( -13.810 -11.431 0.000) 17.927 8.157 ( 0.240 -11.140 0.000) 11.143 8.158 ( -3.174 7.168 0.000) 7.839 8.288 ( 1.606 20.030 0.000) 20.094 8.442 ( -10.211 -16.874 0.000) 19.723 8.808 ( 4.741 5.739 0.000) 7.444 8.995 ( -2.738 7.098 0.000) 7.607 9.177 ( 7.410 16.853 0.000) 18.410 9.306 ( -1.620 16.350 0.000) 16.430 9.817 ( 16.980 -2.020 0.000) 17.100 9.963 ( 2.478 6.118 0.000) 6.601 9.988 ( 7.397 5.694 0.000) 9.335 10.213 ( 9.735 -0.233 0.000) 9.738 10.970 ( -0.426 -5.480 0.000) 5.496 11.489 ( 19.663 7.882 0.000) 21.184 11.687 ( -16.215 1.396 0.000) 16.275 11.993 ( -6.611 -24.871 0.000) 25.735 12.138 ( 1.735 -17.561 0.000) 17.646 12.720 ( -11.452 2.539 0.000) 11.730 13.207 ( 3.177 10.749 0.000) 11.208 13.263 ( -1.403 15.995 0.000) 16.056 21.717 ( 12.537 3.098 0.000) 12.914 22.486 ( 5.075 -2.052 0.000) 5.474 22.490 ( -22.781 -4.341 0.000) 23.191 22.602 ( 13.075 12.693 0.000) 18.223 22.954 ( 2.303 -14.991 0.000) 15.167 23.701 ( -16.959 -1.047 0.000) 16.991 24.391 ( 12.139 17.738 0.000) 21.494 24.777 ( -3.553 19.882 0.000) 20.197 25.383 ( 8.379 3.012 0.000) 8.904 25.485 ( 8.617 -2.024 0.000) 8.851 25.727 ( 17.811 3.550 0.000) 18.162 26.598 ( -16.391 -7.988 0.000) 18.234 27.136 ( 7.395 3.118 0.000) 8.025 27.246 ( 11.197 3.141 0.000) 11.629 27.390 ( 7.338 -4.463 0.000) 8.589 27.847 ( -5.168 8.310 0.000) 9.785 28.111 ( -14.881 -1.125 0.000) 14.923 28.144 ( -15.665 -4.180 0.000) 16.213 28.184 ( 6.412 -8.001 0.000) 10.253 28.369 ( -4.230 -10.037 0.000) 10.892 28.812 ( 6.427 -3.673 0.000) 7.403 29.314 ( -14.679 -7.329 0.000) 16.407 29.521 ( 6.047 2.705 0.000) 6.624 29.785 ( -5.954 -1.851 0.000) 6.236 ======================= Grid point 10 (7/50) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -4.926 6.640 0.000) 8.267 1.777 ( 4.926 6.640 0.000) 8.267 2.001 ( -12.084 10.681 0.000) 16.127 2.001 ( 12.084 10.681 0.000) 16.127 3.169 ( -9.633 -13.239 0.000) 16.373 3.169 ( 9.633 -13.239 0.000) 16.373 3.270 ( -0.312 -11.693 0.000) 11.697 3.270 ( 0.312 -11.693 0.000) 11.697 3.503 ( -26.955 11.235 0.000) 29.202 3.503 ( 26.955 11.235 0.000) 29.202 3.566 ( -4.456 5.527 0.000) 7.099 3.566 ( 4.456 5.527 0.000) 7.099 3.696 ( -3.571 3.311 0.000) 4.870 3.696 ( 3.571 3.311 0.000) 4.870 4.362 ( -1.819 16.648 0.000) 16.747 4.362 ( 1.819 16.648 0.000) 16.747 4.574 ( -17.261 5.312 0.000) 18.060 4.574 ( 17.261 5.312 0.000) 18.060 5.147 ( -0.595 -6.035 0.000) 6.064 5.147 ( 0.595 -6.035 0.000) 6.064 5.725 ( -17.087 -8.992 0.000) 19.308 5.725 ( 17.087 -8.992 0.000) 19.308 6.024 ( -2.036 -6.897 0.000) 7.191 6.024 ( 2.036 -6.897 0.000) 7.191 6.778 ( -2.754 -26.298 0.000) 26.442 6.778 ( 2.754 -26.298 0.000) 26.442 7.631 ( -6.776 -10.862 0.000) 12.802 7.631 ( 6.776 -10.862 0.000) 12.802 8.188 ( -0.940 11.141 0.000) 11.180 8.188 ( 0.940 11.141 0.000) 11.180 8.286 ( -2.594 -4.742 0.000) 5.405 8.286 ( 2.594 -4.742 0.000) 5.405 8.908 ( -4.947 7.559 0.000) 9.033 8.908 ( 4.947 7.559 0.000) 9.033 9.272 ( -2.275 17.674 0.000) 17.819 9.272 ( 2.275 17.674 0.000) 17.819 9.987 ( -1.029 2.850 0.000) 3.030 9.987 ( 1.029 2.850 0.000) 3.030 10.208 ( -9.960 0.072 0.000) 9.960 10.208 ( 9.960 0.072 0.000) 9.960 11.171 ( -18.927 -5.777 0.000) 19.789 11.171 ( 18.927 -5.777 0.000) 19.789 11.872 ( -6.631 -18.061 0.000) 19.240 11.872 ( 6.631 -18.061 0.000) 19.240 12.380 ( -18.979 3.863 0.000) 19.368 12.380 ( 18.979 3.863 0.000) 19.368 13.241 ( -0.739 14.118 0.000) 14.137 13.241 ( 0.739 14.118 0.000) 14.137 22.047 ( -18.969 -0.406 0.000) 18.973 22.047 ( 18.969 -0.406 0.000) 18.973 22.610 ( -6.014 -2.972 0.000) 6.708 22.610 ( 6.014 -2.972 0.000) 6.708 23.283 ( -21.855 0.844 0.000) 21.871 23.283 ( 21.855 0.844 0.000) 21.871 24.626 ( -9.890 20.194 0.000) 22.485 24.626 ( 9.890 20.194 0.000) 22.485 25.522 ( -3.632 1.406 0.000) 3.895 25.522 ( 3.632 1.406 0.000) 3.895 26.182 ( -22.499 -3.787 0.000) 22.815 26.182 ( 22.499 -3.787 0.000) 22.815 27.294 ( -5.997 1.796 0.000) 6.260 27.294 ( 5.997 1.796 0.000) 6.260 27.705 ( -20.528 -4.450 0.000) 21.005 27.705 ( 20.528 -4.450 0.000) 21.005 27.884 ( -8.807 3.536 0.000) 9.490 27.884 ( 8.807 3.536 0.000) 9.490 28.290 ( -4.054 -9.069 0.000) 9.934 28.290 ( 4.054 -9.069 0.000) 9.934 29.015 ( -12.809 -5.711 0.000) 14.025 29.015 ( 12.809 -5.711 0.000) 14.025 29.653 ( -6.471 0.481 0.000) 6.489 29.653 ( 6.471 0.481 0.000) 6.489 ======================= Grid point 16 (8/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 18.517 18.517 0.000) 26.187 1.716 ( 18.765 18.765 0.000) 26.537 2.528 ( -1.504 -1.504 0.000) 2.126 2.592 ( -9.490 -9.490 0.000) 13.421 2.623 ( -1.269 -1.269 0.000) 1.795 2.749 ( -8.248 -8.248 0.000) 11.665 3.140 ( -11.491 -11.491 0.000) 16.251 3.192 ( -12.570 -12.570 0.000) 17.777 3.288 ( 32.787 32.787 0.000) 46.368 3.526 ( 7.088 7.088 0.000) 10.023 3.632 ( 5.624 5.624 0.000) 7.953 3.694 ( 0.528 0.528 0.000) 0.747 3.807 ( 1.207 1.207 0.000) 1.708 4.286 ( 5.545 5.545 0.000) 7.841 4.339 ( 11.655 11.655 0.000) 16.483 4.684 ( -2.873 -2.873 0.000) 4.063 4.708 ( -1.323 -1.323 0.000) 1.872 4.838 ( 2.902 2.902 0.000) 4.104 4.858 ( 6.905 6.905 0.000) 9.765 5.080 ( -2.694 -2.694 0.000) 3.810 5.220 ( 3.421 3.421 0.000) 4.838 5.818 ( -13.927 -13.927 0.000) 19.695 5.921 ( -10.068 -10.068 0.000) 14.238 5.994 ( -9.906 -9.906 0.000) 14.010 6.421 ( -11.777 -11.777 0.000) 16.656 6.520 ( -14.942 -14.942 0.000) 21.131 7.396 ( -7.693 -7.693 0.000) 10.880 7.540 ( -14.106 -14.106 0.000) 19.949 7.940 ( -5.250 -5.250 0.000) 7.425 8.125 ( -12.491 -12.491 0.000) 17.664 8.445 ( 16.018 16.018 0.000) 22.652 8.753 ( 15.760 15.760 0.000) 22.289 8.883 ( 2.649 2.649 0.000) 3.746 9.114 ( 3.046 3.046 0.000) 4.308 9.450 ( 8.869 8.869 0.000) 12.542 9.556 ( 4.580 4.580 0.000) 6.477 9.845 ( 6.974 6.974 0.000) 9.862 10.084 ( 1.686 1.686 0.000) 2.384 10.130 ( 7.612 7.612 0.000) 10.766 10.257 ( 5.142 5.142 0.000) 7.272 10.854 ( -2.387 -2.387 0.000) 3.376 11.395 ( -14.359 -14.359 0.000) 20.307 11.566 ( -12.766 -12.766 0.000) 18.054 11.595 ( -13.110 -13.110 0.000) 18.540 12.182 ( 19.186 19.186 0.000) 27.132 12.729 ( -2.856 -2.856 0.000) 4.040 13.380 ( 5.460 5.460 0.000) 7.721 13.446 ( 2.889 2.889 0.000) 4.085 21.828 ( 7.807 7.807 0.000) 11.040 22.326 ( -12.025 -12.025 0.000) 17.006 22.451 ( -0.626 -0.626 0.000) 0.885 22.601 ( -9.488 -9.488 0.000) 13.418 23.023 ( 19.083 19.083 0.000) 26.987 23.643 ( -6.311 -6.311 0.000) 8.926 24.771 ( 17.237 17.237 0.000) 24.377 25.132 ( 7.815 7.815 0.000) 11.052 25.473 ( 5.190 5.190 0.000) 7.340 25.484 ( 4.544 4.544 0.000) 6.426 25.826 ( 6.766 6.766 0.000) 9.568 26.383 ( -12.735 -12.735 0.000) 18.009 27.230 ( 5.691 5.691 0.000) 8.048 27.361 ( 8.546 8.546 0.000) 12.086 27.368 ( 1.192 1.192 0.000) 1.685 27.938 ( -13.670 -13.670 0.000) 19.332 27.969 ( -0.262 -0.262 0.000) 0.370 28.024 ( -1.909 -1.909 0.000) 2.699 28.086 ( -5.208 -5.208 0.000) 7.365 28.162 ( -6.590 -6.590 0.000) 9.320 28.758 ( 0.272 0.272 0.000) 0.385 29.099 ( -12.234 -12.234 0.000) 17.301 29.590 ( 3.596 3.596 0.000) 5.085 29.733 ( -2.989 -2.989 0.000) 4.226 ======================= Grid point 17 (9/50) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -6.047 13.538 0.000) 14.827 1.996 ( 6.047 13.538 0.000) 14.827 2.264 ( -1.802 13.936 0.000) 14.052 2.264 ( 1.802 13.936 0.000) 14.052 2.831 ( -1.071 -18.162 0.000) 18.194 2.831 ( 1.071 -18.162 0.000) 18.194 2.954 ( -2.669 -15.674 0.000) 15.900 2.954 ( 2.669 -15.674 0.000) 15.900 3.643 ( -3.344 4.634 0.000) 5.714 3.643 ( 3.344 4.634 0.000) 5.714 3.732 ( -1.947 5.562 0.000) 5.893 3.732 ( 1.947 5.562 0.000) 5.893 4.009 ( -25.815 22.650 0.000) 34.343 4.009 ( 25.815 22.650 0.000) 34.343 4.573 ( -5.638 6.413 0.000) 8.538 4.573 ( 5.638 6.413 0.000) 8.538 4.769 ( -0.687 5.088 0.000) 5.134 4.769 ( 0.687 5.088 0.000) 5.134 4.999 ( -0.403 -4.587 0.000) 4.605 4.999 ( 0.403 -4.587 0.000) 4.605 5.500 ( -16.158 -9.908 0.000) 18.954 5.500 ( 16.158 -9.908 0.000) 18.954 5.826 ( -3.341 -11.409 0.000) 11.888 5.826 ( 3.341 -11.409 0.000) 11.888 6.327 ( -2.720 -15.730 0.000) 15.964 6.327 ( 2.720 -15.730 0.000) 15.964 7.346 ( -3.638 -12.056 0.000) 12.593 7.346 ( 3.638 -12.056 0.000) 12.593 7.939 ( -4.851 -10.518 0.000) 11.583 7.939 ( 4.851 -10.518 0.000) 11.583 8.731 ( -10.032 19.674 0.000) 22.084 8.731 ( 10.032 19.674 0.000) 22.084 9.074 ( -7.529 7.906 0.000) 10.918 9.074 ( 7.529 7.906 0.000) 10.918 9.557 ( -2.315 8.767 0.000) 9.067 9.557 ( 2.315 8.767 0.000) 9.067 10.021 ( -6.877 -0.835 0.000) 6.928 10.021 ( 6.877 -0.835 0.000) 6.928 10.274 ( -4.747 6.656 0.000) 8.176 10.274 ( 4.747 6.656 0.000) 8.176 11.012 ( -16.828 -7.719 0.000) 18.514 11.012 ( 16.828 -7.719 0.000) 18.514 11.449 ( -0.748 -18.565 0.000) 18.580 11.449 ( 0.748 -18.565 0.000) 18.580 12.557 ( -14.021 9.005 0.000) 16.664 12.557 ( 14.021 9.005 0.000) 16.664 13.449 ( -1.658 5.690 0.000) 5.927 13.449 ( 1.658 5.690 0.000) 5.927 22.046 ( -12.886 0.289 0.000) 12.889 22.046 ( 12.886 0.289 0.000) 12.889 22.476 ( -3.182 -7.419 0.000) 8.072 22.476 ( 3.182 -7.419 0.000) 8.072 23.408 ( -15.930 8.064 0.000) 17.855 23.408 ( 15.930 8.064 0.000) 17.855 25.066 ( -10.286 19.272 0.000) 21.845 25.066 ( 10.286 19.272 0.000) 21.845 25.558 ( -1.294 1.977 0.000) 2.363 25.558 ( 1.294 1.977 0.000) 2.363 26.073 ( -15.814 -6.336 0.000) 17.036 26.073 ( 15.814 -6.336 0.000) 17.036 27.345 ( -4.089 2.924 0.000) 5.027 27.345 ( 4.089 2.924 0.000) 5.027 27.620 ( -15.175 -3.527 0.000) 15.579 27.620 ( 15.175 -3.527 0.000) 15.579 27.948 ( -3.972 2.445 0.000) 4.664 27.948 ( 3.972 2.445 0.000) 4.664 28.085 ( -3.207 -8.771 0.000) 9.339 28.085 ( 3.207 -8.771 0.000) 9.339 28.860 ( -9.236 -7.793 0.000) 12.085 28.860 ( 9.236 -7.793 0.000) 12.085 29.665 ( -3.509 0.497 0.000) 3.544 29.665 ( 3.509 0.497 0.000) 3.544 ======================= Grid point 27 (10/50) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -0.000 -0.000 0.000) 0.000 2.229 ( -0.000 -0.000 0.000) 0.000 2.491 ( -0.000 -0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.792 ( -0.000 -0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 4.396 ( -0.000 -0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 22.052 ( 0.000 0.000 0.000) 0.000 22.052 ( 0.000 0.000 0.000) 0.000 22.387 ( 0.000 0.000 0.000) 0.000 22.387 ( 0.000 0.000 0.000) 0.000 23.506 ( 0.000 0.000 0.000) 0.000 23.506 ( 0.000 0.000 0.000) 0.000 25.299 ( 0.000 0.000 0.000) 0.000 25.299 ( 0.000 0.000 0.000) 0.000 25.592 ( 0.000 0.000 0.000) 0.000 25.592 ( 0.000 0.000 0.000) 0.000 25.975 ( 0.000 0.000 0.000) 0.000 25.975 ( 0.000 0.000 0.000) 0.000 27.388 ( 0.000 0.000 0.000) 0.000 27.388 ( 0.000 0.000 0.000) 0.000 27.574 ( 0.000 0.000 0.000) 0.000 27.574 ( 0.000 0.000 0.000) 0.000 27.967 ( 0.000 0.000 0.000) 0.000 27.967 ( 0.000 0.000 0.000) 0.000 27.995 ( 0.000 0.000 0.000) 0.000 27.995 ( 0.000 0.000 0.000) 0.000 28.764 ( 0.000 0.000 0.000) 0.000 28.764 ( 0.000 0.000 0.000) 0.000 29.670 ( 0.000 0.000 0.000) 0.000 29.670 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 49 (11/50) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.000 -0.000 31.379) 31.379 0.623 ( 0.000 0.000 31.379) 31.379 1.017 ( -0.000 0.000 50.985) 50.985 2.709 ( 0.000 0.000 -0.561) 0.561 2.834 ( -0.000 0.000 -0.250) 0.250 2.945 ( 0.000 0.000 -1.457) 1.457 2.945 ( 0.000 0.000 -1.457) 1.457 3.318 ( -0.000 -0.000 -6.938) 6.938 3.318 ( -0.000 -0.000 -6.938) 6.938 3.785 ( -0.000 0.000 0.563) 0.563 3.787 ( 0.000 0.000 -17.523) 17.523 3.811 ( 0.000 0.000 -10.249) 10.249 3.835 ( -0.000 -0.000 7.685) 7.685 3.835 ( 0.000 0.000 7.685) 7.685 3.874 ( -0.000 -0.000 -7.745) 7.745 3.874 ( 0.000 0.000 -7.745) 7.745 4.087 ( 0.000 0.000 -2.935) 2.935 4.980 ( 0.000 0.000 6.348) 6.348 5.102 ( 0.000 0.000 9.637) 9.637 5.152 ( 0.000 0.000 3.526) 3.526 5.152 ( 0.000 0.000 3.526) 3.526 6.419 ( 0.000 0.000 -4.740) 4.740 6.419 ( -0.000 0.000 -4.740) 4.740 6.446 ( 0.000 0.000 -5.471) 5.471 6.868 ( 0.000 0.000 2.105) 2.105 7.657 ( 0.000 0.000 0.837) 0.837 7.657 ( 0.000 0.000 0.837) 0.837 7.926 ( 0.000 0.000 2.727) 2.727 8.265 ( 0.000 0.000 5.472) 5.472 8.524 ( 0.000 0.000 4.412) 4.412 8.524 ( 0.000 0.000 4.412) 4.412 8.623 ( -0.000 0.000 7.873) 7.873 8.688 ( 0.000 0.000 -1.198) 1.198 9.066 ( 0.000 0.000 -1.025) 1.025 9.066 ( 0.000 0.000 -1.025) 1.025 9.197 ( 0.000 0.000 1.314) 1.314 9.197 ( 0.000 0.000 1.314) 1.314 9.667 ( 0.000 0.000 1.720) 1.720 9.852 ( 0.000 0.000 0.459) 0.459 9.852 ( -0.000 0.000 0.459) 0.459 10.034 ( -0.000 -0.000 14.401) 14.401 11.183 ( 0.000 0.000 3.081) 3.081 12.344 ( 0.000 0.000 -0.334) 0.334 12.496 ( 0.000 0.000 1.170) 1.170 12.496 ( 0.000 0.000 1.170) 1.170 12.913 ( 0.000 0.000 0.945) 0.945 12.990 ( 0.000 0.000 7.184) 7.184 14.259 ( 0.000 0.000 -1.649) 1.649 21.373 ( 0.000 0.000 -2.334) 2.334 21.898 ( -0.000 0.000 -2.021) 2.021 22.401 ( 0.000 0.000 2.832) 2.832 22.401 ( 0.000 0.000 2.832) 2.832 23.333 ( 0.000 0.000 -1.592) 1.592 23.333 ( 0.000 0.000 -1.592) 1.592 24.144 ( 0.000 0.000 -0.331) 0.331 24.144 ( 0.000 -0.000 -0.331) 0.331 24.311 ( 0.000 0.000 -2.816) 2.816 25.089 ( 0.000 0.000 0.584) 0.584 25.378 ( -0.000 0.000 3.784) 3.784 26.512 ( 0.000 0.000 -1.041) 1.041 26.948 ( 0.000 0.000 1.575) 1.575 27.246 ( 0.000 0.000 1.798) 1.798 27.246 ( 0.000 0.000 1.798) 1.798 27.313 ( 0.000 0.000 -0.807) 0.807 28.035 ( -0.000 -0.000 2.352) 2.352 28.473 ( 0.000 0.000 0.241) 0.241 28.473 ( 0.000 0.000 0.241) 0.241 28.717 ( 0.000 0.000 -2.449) 2.449 28.717 ( -0.000 0.000 -2.449) 2.449 29.745 ( -0.000 0.000 -2.805) 2.805 29.956 ( 0.000 0.000 -2.180) 2.180 31.467 ( -0.000 0.000 2.656) 2.656 ======================= Grid point 50 (12/50) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 19.467 0.000 21.566) 29.053 0.908 ( 18.660 0.000 24.092) 30.473 1.556 ( 44.171 0.000 29.434) 53.080 2.548 ( -14.104 0.000 0.819) 14.128 2.877 ( 8.284 0.000 -0.824) 8.325 3.020 ( -5.542 0.000 -5.081) 7.518 3.054 ( -9.960 0.000 -3.541) 10.571 3.094 ( 8.021 0.000 -1.814) 8.224 3.331 ( 1.161 0.000 -5.489) 5.611 3.692 ( -3.149 0.000 -2.447) 3.988 3.697 ( -5.810 0.000 -0.804) 5.866 3.805 ( 6.280 0.000 -6.984) 9.392 3.860 ( 0.032 0.000 1.000) 1.001 3.882 ( 3.211 0.000 -5.866) 6.688 3.889 ( 1.240 0.000 0.321) 1.281 3.985 ( 1.079 0.000 2.755) 2.958 4.320 ( 16.459 0.000 -16.171) 23.073 4.823 ( -15.275 0.000 5.938) 16.388 5.055 ( 0.387 0.000 6.288) 6.300 5.189 ( 0.358 0.000 7.919) 7.927 5.238 ( 8.059 0.000 2.252) 8.368 6.337 ( -7.698 0.000 -4.639) 8.988 6.337 ( -7.058 0.000 -4.805) 8.538 6.376 ( -6.115 0.000 -3.947) 7.278 6.991 ( 11.035 0.000 2.084) 11.230 7.551 ( -10.729 0.000 -1.927) 10.901 7.661 ( 0.226 0.000 0.899) 0.927 7.777 ( -12.319 0.000 6.151) 13.770 8.283 ( -11.503 0.000 -1.830) 11.647 8.492 ( -1.365 0.000 3.050) 3.342 8.554 ( 1.882 0.000 2.476) 3.110 8.713 ( -8.658 0.000 8.456) 12.102 8.770 ( 5.700 0.000 0.259) 5.706 8.843 ( 7.870 0.000 0.727) 7.903 8.950 ( -9.269 0.000 0.031) 9.269 9.153 ( -3.839 0.000 0.975) 3.960 9.475 ( 19.910 0.000 5.865) 20.756 9.772 ( 7.919 0.000 1.258) 8.018 9.861 ( 1.074 0.000 0.370) 1.136 9.937 ( 12.049 0.000 0.169) 12.050 10.583 ( 37.552 0.000 9.190) 38.660 11.142 ( -3.782 0.000 3.498) 5.151 12.017 ( -16.348 0.000 -4.054) 16.843 12.462 ( -2.734 0.000 1.139) 2.962 12.796 ( 11.411 0.000 -1.849) 11.560 12.836 ( -7.023 0.000 0.916) 7.083 12.955 ( -4.429 0.000 9.362) 10.357 13.511 ( -35.302 0.000 31.095) 47.044 21.448 ( 7.229 0.000 -1.948) 7.487 22.060 ( 14.590 0.000 -2.107) 14.742 22.438 ( 3.444 0.000 2.699) 4.375 22.993 ( -16.731 0.000 -7.382) 18.287 23.269 ( -5.474 0.000 -1.015) 5.568 23.605 ( 34.245 0.000 -29.902) 45.463 24.034 ( -10.356 0.000 -0.183) 10.358 24.359 ( 11.102 0.000 -12.193) 16.491 24.692 ( 40.558 0.000 -16.036) 43.614 25.170 ( 7.372 0.000 0.590) 7.396 25.439 ( 5.050 0.000 3.399) 6.087 26.573 ( 7.018 0.000 -10.205) 12.385 26.985 ( 3.067 0.000 1.013) 3.230 27.175 ( -9.961 0.000 -0.416) 9.969 27.317 ( 6.607 0.000 1.704) 6.823 27.378 ( 7.332 0.000 -5.944) 9.439 28.022 ( -0.803 0.000 1.190) 1.435 28.377 ( -9.011 0.000 0.448) 9.022 28.471 ( -0.669 0.000 0.587) 0.891 28.637 ( -7.603 0.000 -5.335) 9.288 28.734 ( 2.080 0.000 -2.694) 3.403 29.636 ( -10.043 0.000 -2.816) 10.431 29.926 ( -2.770 0.000 1.817) 3.312 30.658 ( -43.166 0.000 48.505) 64.931 ======================= Grid point 51 (13/50) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 22.919 0.000 12.088) 25.912 1.358 ( 24.296 0.000 12.929) 27.522 2.204 ( -18.450 0.000 3.232) 18.731 2.457 ( -8.987 0.000 0.599) 9.007 2.571 ( 27.554 0.000 10.733) 29.571 3.096 ( 11.106 0.000 -2.511) 11.387 3.229 ( 4.691 0.000 -2.443) 5.289 3.240 ( 11.240 0.000 -0.027) 11.240 3.359 ( 1.431 0.000 -1.763) 2.271 3.563 ( -7.038 0.000 -2.377) 7.429 3.567 ( -7.999 0.000 -2.752) 8.459 3.858 ( 0.112 0.000 -0.474) 0.487 3.894 ( -0.728 0.000 3.787) 3.856 3.956 ( 2.462 0.000 -0.519) 2.516 3.971 ( -2.882 0.000 4.399) 5.259 4.074 ( 16.185 0.000 -7.145) 17.692 4.337 ( -21.427 0.000 2.468) 21.569 4.586 ( -1.783 0.000 -16.329) 16.426 5.111 ( 5.400 0.000 3.476) 6.422 5.208 ( 2.312 0.000 6.788) 7.171 5.473 ( 14.040 0.000 -0.410) 14.046 6.111 ( -13.563 0.000 -4.073) 14.161 6.163 ( -8.153 0.000 -3.529) 8.884 6.213 ( -8.637 0.000 -2.549) 9.005 7.275 ( 14.522 0.000 1.885) 14.644 7.351 ( -6.428 0.000 1.743) 6.660 7.496 ( -12.487 0.000 7.257) 14.443 7.647 ( -2.259 0.000 1.123) 2.523 8.064 ( -6.609 0.000 -0.874) 6.667 8.260 ( -15.448 0.000 7.484) 17.165 8.498 ( 2.020 0.000 2.383) 3.124 8.742 ( -9.377 0.000 1.102) 9.442 8.810 ( 8.060 0.000 7.434) 10.965 8.877 ( 3.984 0.000 1.059) 4.123 8.991 ( 2.174 0.000 8.589) 8.860 9.054 ( -5.179 0.000 0.706) 5.227 9.901 ( 19.790 0.000 4.683) 20.337 9.904 ( 3.321 0.000 0.232) 3.329 9.922 ( 4.926 0.000 0.966) 5.020 10.237 ( 11.792 0.000 1.759) 11.922 11.044 ( 0.454 0.000 1.987) 2.039 11.407 ( 36.057 0.000 6.843) 36.700 11.655 ( -18.948 0.000 -2.197) 19.075 12.418 ( -0.472 0.000 1.030) 1.134 12.650 ( -9.798 0.000 0.874) 9.836 12.651 ( -21.979 0.000 11.866) 24.977 12.959 ( 4.083 0.000 3.563) 5.419 13.134 ( -6.054 0.000 9.703) 11.437 21.677 ( 14.731 0.000 -0.972) 14.763 22.421 ( 16.430 0.000 -2.314) 16.592 22.528 ( -23.907 0.000 -0.704) 23.917 22.540 ( 6.166 0.000 2.220) 6.553 23.165 ( -1.893 0.000 0.215) 1.905 23.729 ( -18.257 0.000 0.046) 18.257 24.033 ( 14.494 0.000 -12.052) 18.851 24.442 ( -2.462 0.000 -7.638) 8.025 25.361 ( 9.757 0.000 0.925) 9.801 25.526 ( 34.549 0.000 -14.085) 37.310 25.537 ( 3.013 0.000 2.598) 3.979 26.604 ( -13.464 0.000 -7.090) 15.216 27.050 ( 10.030 0.000 -7.911) 12.775 27.187 ( 12.791 0.000 -2.814) 13.097 27.423 ( -3.381 0.000 -8.366) 9.024 27.512 ( 11.892 0.000 1.409) 11.975 27.979 ( -6.704 0.000 -5.063) 8.401 28.120 ( -14.733 0.000 0.700) 14.750 28.425 ( -6.851 0.000 -0.420) 6.864 28.440 ( -4.983 0.000 -4.113) 6.461 28.825 ( 7.205 0.000 -2.931) 7.778 29.359 ( -15.419 0.000 -2.869) 15.683 29.866 ( -1.846 0.000 11.966) 12.108 30.080 ( -15.213 0.000 34.174) 37.407 ======================= Grid point 52 (14/50) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -21.461 0.000 6.695) 22.481 1.787 ( 21.461 0.000 6.695) 22.481 1.902 ( -27.383 0.000 3.578) 27.616 1.902 ( 27.383 0.000 3.578) 27.616 3.264 ( -2.806 0.000 -4.401) 5.219 3.264 ( 2.806 0.000 -4.401) 5.219 3.325 ( -20.406 0.000 -1.815) 20.486 3.325 ( 20.406 0.000 -1.815) 20.486 3.417 ( -5.637 0.000 0.098) 5.638 3.417 ( 5.637 0.000 0.098) 5.638 3.573 ( -26.527 0.000 10.693) 28.601 3.573 ( 26.527 0.000 10.693) 28.601 3.871 ( -1.124 0.000 1.878) 2.189 3.871 ( 1.124 0.000 1.878) 2.189 4.052 ( -5.316 0.000 1.801) 5.613 4.052 ( 5.316 0.000 1.801) 5.613 4.407 ( -14.147 0.000 -11.635) 18.317 4.407 ( 14.147 0.000 -11.635) 18.317 5.225 ( -2.815 0.000 0.707) 2.902 5.225 ( 2.815 0.000 0.707) 2.902 5.795 ( -16.034 0.000 -2.720) 16.263 5.795 ( 16.034 0.000 -2.720) 16.263 6.082 ( -1.875 0.000 -1.676) 2.515 6.082 ( 1.875 0.000 -1.676) 2.515 7.320 ( -3.652 0.000 4.761) 6.001 7.320 ( 3.652 0.000 4.761) 6.001 7.533 ( -9.208 0.000 1.511) 9.331 7.533 ( 9.208 0.000 1.511) 9.331 8.043 ( -4.850 0.000 4.719) 6.767 8.043 ( 4.850 0.000 4.719) 6.767 8.579 ( -5.915 0.000 1.954) 6.230 8.579 ( 5.915 0.000 1.954) 6.230 8.952 ( -5.094 0.000 9.523) 10.800 8.952 ( 5.094 0.000 9.523) 10.800 8.955 ( -4.053 0.000 0.812) 4.133 8.955 ( 4.053 0.000 0.812) 4.133 9.961 ( -1.174 0.000 0.580) 1.310 9.961 ( 1.174 0.000 0.580) 1.310 10.243 ( -10.897 0.000 3.025) 11.310 10.243 ( 10.897 0.000 3.025) 11.310 11.240 ( -17.848 0.000 1.227) 17.890 11.240 ( 17.848 0.000 1.227) 17.890 12.111 ( -29.792 0.000 8.031) 30.855 12.111 ( 29.792 0.000 8.031) 30.855 12.474 ( -6.074 0.000 0.906) 6.141 12.474 ( 6.074 0.000 0.906) 6.141 13.041 ( -4.094 0.000 3.906) 5.658 13.041 ( 4.094 0.000 3.906) 5.658 22.053 ( -20.956 0.000 -0.127) 20.956 22.053 ( 20.956 0.000 -0.127) 20.956 22.612 ( -2.678 0.000 -0.210) 2.686 22.612 ( 2.678 0.000 -0.210) 2.686 23.330 ( -17.332 0.000 0.449) 17.338 23.330 ( 17.332 0.000 0.449) 17.338 24.296 ( -10.541 0.000 -7.510) 12.942 24.296 ( 10.541 0.000 -7.510) 12.942 25.523 ( -4.669 0.000 1.699) 4.968 25.523 ( 4.669 0.000 1.699) 4.968 26.155 ( -26.416 0.000 -6.256) 27.147 26.155 ( 26.416 0.000 -6.256) 27.147 27.265 ( -9.118 0.000 -1.703) 9.276 27.265 ( 9.118 0.000 -1.703) 9.276 27.631 ( -23.397 0.000 -12.836) 26.686 27.631 ( 23.397 0.000 -12.836) 26.687 27.800 ( -15.214 0.000 1.011) 15.247 27.800 ( 15.214 0.000 1.011) 15.247 28.376 ( -2.167 0.000 -1.491) 2.630 28.376 ( 2.167 0.000 -1.491) 2.630 29.045 ( -13.574 0.000 -2.952) 13.892 29.045 ( 13.574 0.000 -2.952) 13.892 29.891 ( -4.616 0.000 19.567) 20.104 29.891 ( 4.616 0.000 19.567) 20.104 ======================= Grid point 57 (15/50) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 14.271 14.271 19.991) 28.407 1.081 ( 17.076 17.076 18.219) 30.251 1.948 ( 33.853 33.853 20.655) 52.141 2.619 ( -2.213 -2.213 0.860) 3.246 2.713 ( -2.057 -2.057 1.179) 3.138 3.034 ( -10.398 -10.398 -5.284) 15.626 3.111 ( -8.089 -8.089 -5.673) 12.769 3.162 ( 7.335 7.335 -2.683) 10.715 3.182 ( 6.265 6.265 -1.003) 8.917 3.647 ( -2.767 -2.767 -4.617) 6.052 3.672 ( -3.835 -3.835 -1.421) 5.606 3.679 ( -6.263 -6.263 7.045) 11.317 3.761 ( -2.420 -2.420 -1.629) 3.791 3.845 ( 6.940 6.940 -6.259) 11.641 4.107 ( 7.225 7.225 8.851) 13.518 4.286 ( 11.313 11.313 -15.018) 21.943 4.357 ( 8.289 8.289 -14.362) 18.539 4.874 ( -2.449 -2.449 5.155) 6.210 4.922 ( -5.207 -5.207 5.658) 9.286 5.214 ( 1.201 1.201 4.656) 4.956 5.217 ( -0.003 -0.003 5.774) 5.774 6.250 ( -7.732 -7.732 -4.628) 11.874 6.263 ( -7.055 -7.055 -4.377) 10.895 6.311 ( -6.019 -6.019 -3.476) 9.194 7.028 ( 1.591 1.591 3.271) 3.970 7.091 ( -17.322 -17.322 3.133) 24.697 7.658 ( -7.883 -7.883 5.570) 12.462 8.089 ( -10.970 -10.970 -2.207) 15.671 8.122 ( 14.401 14.401 -0.659) 20.376 8.290 ( -11.648 -11.648 1.859) 16.577 8.528 ( -12.308 -12.308 10.685) 20.424 8.704 ( -7.200 -7.200 2.963) 10.604 8.729 ( 5.880 5.880 4.283) 9.354 8.961 ( 12.189 12.189 -0.244) 17.240 9.002 ( 3.902 3.902 0.339) 5.528 9.313 ( 5.465 5.465 0.427) 7.741 9.527 ( 9.682 9.682 5.997) 14.948 9.844 ( 5.830 5.830 0.909) 8.295 9.930 ( 5.104 5.104 3.557) 8.048 9.983 ( 7.294 7.294 -1.541) 10.429 10.946 ( 28.856 28.856 8.009) 41.587 11.094 ( -4.370 -4.370 3.867) 7.290 11.931 ( -9.340 -9.340 -4.084) 13.825 12.221 ( -12.127 -12.127 0.321) 17.154 12.538 ( -18.418 -18.418 13.959) 29.552 12.891 ( -1.715 -1.715 2.810) 3.712 13.085 ( 9.162 9.162 1.869) 13.091 13.447 ( -5.414 -5.414 16.255) 17.968 21.510 ( 6.123 6.123 -1.626) 8.810 22.222 ( 14.402 14.402 -2.269) 20.494 22.444 ( 1.784 1.784 2.622) 3.639 22.952 ( -13.994 -13.994 1.941) 19.886 23.029 ( -8.952 -8.952 -4.422) 13.411 23.938 ( 18.940 18.940 -20.274) 33.593 23.940 ( -7.345 -7.345 -2.128) 10.603 24.643 ( 10.668 10.668 -4.860) 15.850 24.886 ( 25.284 25.284 -25.221) 43.756 25.235 ( 6.097 6.097 0.951) 8.675 25.495 ( 4.987 4.987 2.469) 7.472 26.586 ( 2.321 2.321 -11.858) 12.304 27.024 ( 3.562 3.562 0.950) 5.126 27.085 ( -6.808 -6.808 -2.707) 10.001 27.311 ( 2.460 2.460 2.313) 4.178 27.538 ( 9.013 9.013 -9.746) 16.045 27.999 ( -1.785 -1.785 0.696) 2.618 28.362 ( -5.850 -5.850 -0.138) 8.275 28.374 ( -4.530 -4.530 -0.248) 6.412 28.518 ( -8.034 -8.034 -0.878) 11.395 28.780 ( 1.682 1.682 -6.806) 7.210 29.511 ( -11.224 -11.224 -1.906) 15.987 29.909 ( -1.729 -1.729 4.823) 5.407 30.346 ( -20.847 -20.847 46.483) 55.044 ======================= Grid point 58 (16/50) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 21.342 9.005 12.098) 26.133 1.487 ( 20.748 14.056 12.242) 27.891 2.328 ( -16.910 10.668 3.225) 20.252 2.538 ( -25.999 5.546 -1.128) 26.608 2.765 ( 38.243 17.932 9.341) 43.259 2.923 ( 14.234 -10.279 1.914) 17.662 3.179 ( 5.943 -17.891 0.059) 18.853 3.272 ( 0.988 1.414 -1.544) 2.315 3.342 ( 7.940 3.965 -2.927) 9.345 3.471 ( -7.393 -3.282 1.969) 8.325 3.601 ( -3.733 -6.104 -1.060) 7.233 3.643 ( -1.191 -4.576 0.550) 4.761 3.699 ( -3.412 0.599 -3.797) 5.140 4.104 ( 15.325 4.257 -7.643) 17.646 4.173 ( -5.444 10.716 9.121) 15.088 4.364 ( 2.612 19.682 -7.030) 21.062 4.458 ( -10.326 8.687 -2.973) 13.818 4.654 ( -3.547 7.112 -10.284) 12.997 5.029 ( 6.981 -8.010 3.102) 11.068 5.170 ( -0.160 -2.782 7.053) 7.583 5.387 ( 12.643 -7.716 0.292) 14.815 6.022 ( -13.787 -8.106 -3.674) 16.410 6.086 ( -8.246 -7.270 -3.360) 11.495 6.147 ( -8.840 -6.115 -2.425) 11.019 6.853 ( -5.974 -25.130 3.479) 26.064 6.968 ( -7.141 -19.634 5.958) 21.726 7.571 ( 0.296 -2.881 1.904) 3.466 7.855 ( -11.659 -8.413 1.208) 14.428 8.130 ( 1.059 1.143 1.490) 2.156 8.311 ( -3.461 10.692 8.012) 13.802 8.332 ( 0.856 3.560 6.293) 7.281 8.513 ( -9.726 -13.545 5.798) 17.654 8.846 ( 5.775 4.591 3.712) 8.259 9.048 ( -0.543 8.464 4.520) 9.611 9.191 ( 7.657 14.326 1.488) 16.312 9.311 ( -1.651 16.063 0.556) 16.157 9.830 ( 13.687 -1.801 1.023) 13.842 9.960 ( 3.951 3.553 0.302) 5.322 10.033 ( 7.784 8.012 4.259) 11.955 10.237 ( 11.083 0.416 2.508) 11.371 11.004 ( -0.927 -4.398 3.628) 5.776 11.559 ( 13.751 4.237 6.586) 15.825 11.633 ( -6.186 4.163 -2.529) 7.873 12.106 ( -0.712 -20.509 3.630) 20.840 12.189 ( -10.811 -22.108 8.485) 26.031 12.759 ( -11.697 2.351 3.775) 12.514 13.218 ( 3.625 11.729 1.247) 12.340 13.329 ( -4.743 11.823 5.740) 13.972 21.709 ( 13.005 3.279 -0.779) 13.435 22.443 ( -8.342 -3.389 -1.708) 9.164 22.542 ( -4.098 1.517 1.718) 4.696 22.610 ( 8.054 9.805 1.436) 12.769 22.961 ( 2.974 -14.529 0.707) 14.847 23.692 ( -16.465 -1.310 -0.969) 16.545 24.277 ( 14.361 18.353 -11.247) 25.876 24.697 ( -3.227 19.458 -7.549) 21.120 25.396 ( 9.274 3.425 0.934) 9.930 25.472 ( 18.383 -1.065 -3.215) 18.692 25.646 ( 14.184 6.325 -4.935) 16.295 26.534 ( -12.609 -6.022 -5.275) 14.936 27.073 ( 10.281 2.203 -11.179) 15.347 27.169 ( 10.917 -0.548 -3.161) 11.378 27.369 ( 0.568 -0.463 0.829) 1.107 27.670 ( 5.099 8.953 -5.984) 11.915 27.932 ( -8.058 -4.441 -5.769) 10.860 28.105 ( -14.126 -2.163 -0.624) 14.305 28.320 ( -3.257 -7.718 0.555) 8.395 28.383 ( -3.338 -4.899 0.857) 5.989 28.810 ( 2.619 -2.322 -5.860) 6.825 29.223 ( -14.900 -11.873 -2.953) 19.279 29.866 ( -1.591 -0.319 11.967) 12.077 30.012 ( -10.503 -5.441 29.378) 31.670 ======================= Grid point 59 (17/50) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -4.518 6.925 7.030) 10.853 1.848 ( 4.518 6.925 7.030) 10.853 2.049 ( -9.348 11.798 4.805) 15.801 2.049 ( 9.348 11.798 4.805) 15.801 3.145 ( -9.984 -10.571 -1.513) 14.619 3.145 ( 9.984 -10.571 -1.513) 14.619 3.308 ( -5.555 -7.605 1.914) 9.611 3.308 ( 5.555 -7.605 1.914) 9.611 3.460 ( -13.354 3.773 -2.847) 14.166 3.460 ( 13.354 3.773 -2.847) 14.166 3.601 ( -8.370 -0.900 1.166) 8.499 3.601 ( 8.370 -0.900 1.166) 8.499 3.744 ( -20.966 8.857 6.449) 23.656 3.744 ( 20.966 8.857 6.449) 23.656 4.348 ( -3.720 11.794 -3.258) 12.788 4.348 ( 3.720 11.794 -3.258) 12.788 4.486 ( -11.096 10.828 -6.402) 16.773 4.486 ( 11.096 10.828 -6.402) 16.773 5.160 ( -3.453 -6.017 0.796) 6.983 5.160 ( 3.453 -6.017 0.796) 6.983 5.701 ( -16.237 -8.586 -2.284) 18.508 5.701 ( 16.237 -8.586 -2.284) 18.508 6.008 ( -2.284 -6.914 -1.701) 7.478 6.008 ( 2.284 -6.914 -1.701) 7.478 6.833 ( -3.740 -26.124 5.005) 26.861 6.833 ( 3.740 -26.124 5.005) 26.861 7.648 ( -7.089 -9.054 2.191) 11.706 7.648 ( 7.089 -9.054 2.191) 11.706 8.232 ( -5.300 13.160 4.300) 14.825 8.232 ( 5.300 13.160 4.300) 14.825 8.361 ( -3.179 -6.263 6.715) 9.717 8.361 ( 3.179 -6.263 6.715) 9.717 8.970 ( -5.782 7.982 5.744) 11.408 8.970 ( 5.782 7.982 5.744) 11.408 9.283 ( -1.962 16.289 1.118) 16.444 9.283 ( 1.962 16.289 1.118) 16.444 9.983 ( -2.189 1.985 -0.416) 2.984 9.983 ( 2.189 1.985 -0.416) 2.984 10.253 ( -9.065 1.371 4.481) 10.204 10.253 ( 9.065 1.371 4.481) 10.204 11.191 ( -17.952 -5.082 2.179) 18.784 11.191 ( 17.952 -5.082 2.179) 18.784 11.933 ( -9.467 -19.804 5.520) 22.634 11.933 ( 9.467 -19.804 5.520) 22.634 12.408 ( -19.972 4.531 2.875) 20.680 12.408 ( 19.972 4.531 2.875) 20.680 13.266 ( -1.850 13.220 2.165) 13.523 13.266 ( 1.850 13.220 2.165) 13.523 22.047 ( -19.088 -0.324 -0.032) 19.091 22.047 ( 19.088 -0.324 -0.032) 19.091 22.624 ( -5.220 -1.683 1.329) 5.644 22.624 ( 5.220 -1.683 1.329) 5.644 23.282 ( -21.464 0.430 -0.128) 21.469 23.282 ( 21.464 0.430 -0.128) 21.469 24.543 ( -10.736 19.598 -8.089) 23.765 24.543 ( 10.736 19.598 -8.089) 23.765 25.544 ( -3.979 1.921 2.190) 4.931 25.544 ( 3.979 1.921 2.190) 4.931 26.130 ( -23.810 -2.353 -4.779) 24.399 26.130 ( 23.810 -2.353 -4.779) 24.399 27.279 ( -7.904 1.370 -2.558) 8.420 27.279 ( 7.904 1.370 -2.558) 8.420 27.563 ( -22.739 -4.841 -11.380) 25.884 27.563 ( 22.739 -4.841 -11.380) 25.884 27.845 ( -11.037 2.777 -0.279) 11.385 27.845 ( 11.037 2.777 -0.279) 11.385 28.326 ( -2.575 -4.165 1.130) 5.026 28.326 ( 2.575 -4.165 1.130) 5.026 28.944 ( -10.599 -9.065 -5.051) 14.833 28.944 ( 10.599 -9.065 -5.051) 14.833 29.878 ( -3.166 -1.181 17.885) 18.202 29.878 ( 3.166 -1.181 17.885) 18.202 ======================= Grid point 65 (18/50) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 16.594 16.594 9.164) 25.193 1.833 ( 17.788 17.788 11.350) 27.597 2.528 ( -3.084 -3.084 0.775) 4.429 2.651 ( -0.959 -0.959 2.734) 3.052 2.661 ( -5.213 -5.213 6.125) 9.585 2.780 ( -5.918 -5.918 3.053) 8.909 3.143 ( -10.027 -10.027 0.226) 14.182 3.264 ( -11.998 -11.998 6.873) 18.307 3.326 ( 24.759 24.759 2.765) 35.124 3.480 ( 5.782 5.782 -4.276) 9.228 3.586 ( 5.868 5.868 -3.595) 9.043 3.667 ( 1.466 1.466 -2.748) 3.442 3.741 ( 2.758 2.758 -4.944) 6.298 4.273 ( 11.640 11.640 -6.606) 17.737 4.371 ( 4.149 4.149 7.302) 9.368 4.584 ( 2.198 2.198 -9.887) 10.364 4.670 ( 3.131 3.131 -4.646) 6.419 4.781 ( 2.573 2.573 -2.604) 4.474 4.893 ( 2.271 2.271 3.429) 4.698 5.125 ( -4.213 -4.213 2.525) 6.471 5.246 ( 1.704 1.704 2.203) 3.265 5.796 ( -13.055 -13.055 -2.110) 18.582 5.890 ( -9.752 -9.752 -3.187) 14.155 5.976 ( -9.561 -9.561 -1.875) 13.651 6.463 ( -11.606 -11.606 3.803) 16.848 6.586 ( -15.415 -15.415 5.990) 22.609 7.429 ( -6.120 -6.120 3.803) 9.454 7.589 ( -12.942 -12.942 5.065) 18.991 8.031 ( -4.351 -4.351 8.466) 10.466 8.204 ( -11.719 -11.719 7.380) 18.142 8.481 ( 13.910 13.910 3.525) 19.985 8.826 ( 17.105 17.105 6.881) 25.150 8.893 ( 2.329 2.329 0.927) 3.422 9.199 ( 4.528 4.528 7.644) 9.972 9.439 ( 8.611 8.611 -0.986) 12.217 9.554 ( 4.344 4.344 0.010) 6.143 9.853 ( 5.657 5.657 0.497) 8.015 10.038 ( 2.311 2.311 -2.157) 3.916 10.217 ( 7.333 7.333 6.280) 12.124 10.302 ( 6.515 6.515 4.627) 10.310 10.898 ( -2.745 -2.745 4.580) 6.004 11.425 ( -15.353 -15.353 2.648) 21.873 11.528 ( -9.811 -9.811 -0.404) 13.880 11.725 ( -17.772 -17.772 8.833) 26.640 12.202 ( 19.826 19.826 2.123) 28.119 12.762 ( -3.204 -3.204 3.168) 5.528 13.392 ( 5.306 5.306 1.019) 7.572 13.468 ( 1.961 1.961 1.852) 3.334 21.825 ( 8.101 8.101 -0.256) 11.459 22.314 ( -10.324 -10.324 -0.782) 14.622 22.504 ( -2.092 -2.092 4.772) 5.615 22.621 ( -8.549 -8.549 1.976) 12.250 23.019 ( 18.993 18.993 -0.273) 26.861 23.637 ( -6.012 -6.012 -0.687) 8.530 24.666 ( 17.407 17.407 -10.362) 26.709 25.024 ( 6.773 6.773 -10.042) 13.877 25.507 ( 5.841 5.841 2.870) 8.745 25.514 ( 6.595 6.595 2.493) 9.655 25.790 ( 8.248 8.248 -3.426) 12.158 26.358 ( -11.443 -11.443 -1.968) 16.302 27.166 ( 8.234 8.234 -17.420) 20.953 27.220 ( 5.251 5.251 -0.823) 7.472 27.386 ( 0.732 0.732 1.670) 1.965 27.775 ( -11.635 -11.635 -9.232) 18.868 27.803 ( 3.229 3.229 -4.813) 6.635 28.006 ( -6.052 -6.052 0.482) 8.573 28.216 ( -1.292 -1.292 -0.205) 1.838 28.289 ( -2.580 -2.580 8.930) 9.646 28.726 ( -4.543 -4.543 -7.325) 9.744 28.932 ( -14.244 -14.244 -7.601) 21.530 29.850 ( -0.864 -0.864 13.249) 13.305 29.904 ( -4.116 -4.116 19.848) 20.684 ======================= Grid point 66 (19/50) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -9.021 13.330 6.888) 17.508 2.068 ( 9.021 13.330 6.888) 17.508 2.332 ( -7.898 14.621 6.832) 17.967 2.332 ( 7.898 14.621 6.832) 17.967 2.857 ( -9.761 -16.158 2.252) 19.011 2.857 ( 9.761 -16.158 2.252) 19.011 3.012 ( -9.926 -15.780 6.091) 19.612 3.012 ( 9.926 -15.780 6.091) 19.612 3.564 ( -1.255 4.950 -7.264) 8.880 3.564 ( 1.255 4.950 -7.264) 8.880 3.666 ( -2.098 3.298 -6.025) 7.182 3.666 ( 2.098 3.298 -6.025) 7.182 4.082 ( -25.293 20.782 6.373) 33.350 4.082 ( 25.293 20.782 6.373) 33.350 4.510 ( -7.906 7.188 -6.247) 12.377 4.510 ( 7.906 7.188 -6.247) 12.377 4.768 ( -3.615 8.407 -0.508) 9.166 4.768 ( 3.615 8.407 -0.508) 9.166 4.999 ( -6.282 -7.458 -0.001) 9.751 4.999 ( 6.282 -7.458 -0.001) 9.751 5.489 ( -15.649 -8.985 -0.997) 18.073 5.489 ( 15.649 -8.985 -0.997) 18.073 5.810 ( -3.801 -11.414 -1.681) 12.147 5.810 ( 3.801 -11.414 -1.681) 12.147 6.380 ( -3.475 -16.061 4.637) 17.075 6.380 ( 3.475 -16.061 4.637) 17.075 7.402 ( -4.074 -10.472 5.967) 12.723 7.402 ( 4.074 -10.472 5.967) 12.723 8.030 ( -4.408 -10.185 8.567) 14.020 8.030 ( 4.408 -10.185 8.567) 14.020 8.751 ( -10.214 18.181 1.685) 20.922 8.751 ( 10.214 18.181 1.685) 20.922 9.166 ( -8.839 10.168 8.697) 16.036 9.166 ( 8.839 10.168 8.697) 16.036 9.547 ( -2.587 8.131 -0.955) 8.586 9.547 ( 2.587 8.131 -0.955) 8.586 10.004 ( -5.783 -1.001 -1.431) 6.041 10.004 ( 5.783 -1.001 -1.431) 6.041 10.342 ( -3.949 7.213 6.442) 10.446 10.342 ( 3.949 7.213 6.442) 10.446 11.040 ( -16.088 -7.825 2.840) 18.114 11.040 ( 16.088 -7.825 2.840) 18.114 11.484 ( -4.560 -19.515 3.288) 20.308 11.484 ( 4.560 -19.515 3.288) 20.308 12.583 ( -14.250 8.708 2.628) 16.906 12.583 ( 14.250 8.708 2.628) 16.906 13.461 ( -1.835 5.350 0.934) 5.733 13.461 ( 1.835 5.350 0.934) 5.733 22.048 ( -12.886 0.370 0.175) 12.893 22.048 ( 12.886 0.370 0.175) 12.893 22.511 ( -2.661 -6.827 3.401) 8.078 22.511 ( 2.661 -6.827 3.401) 8.078 23.405 ( -15.912 8.261 -0.297) 17.931 23.405 ( 15.912 8.261 -0.297) 17.931 24.962 ( -10.119 17.736 -10.051) 22.759 24.962 ( 10.119 17.736 -10.051) 22.759 25.596 ( -1.541 2.908 3.443) 4.763 25.596 ( 1.541 2.908 3.443) 4.763 26.057 ( -16.178 -4.515 -1.403) 16.855 26.057 ( 16.178 -4.515 -1.403) 16.855 27.323 ( -3.829 2.867 -4.725) 6.723 27.323 ( 3.829 2.867 -4.725) 6.723 27.469 ( -14.890 -3.892 -9.647) 18.164 27.469 ( 14.890 -3.892 -9.647) 18.164 27.877 ( -5.484 -0.031 -0.840) 5.548 27.877 ( 5.484 -0.031 -0.840) 5.548 28.251 ( -2.483 -1.666 7.339) 7.925 28.251 ( 2.483 -1.666 7.339) 7.925 28.710 ( -5.085 -11.808 -10.618) 16.674 28.710 ( 5.085 -11.808 -10.618) 16.674 29.850 ( -1.179 -1.212 14.601) 14.699 29.850 ( 1.179 -1.212 14.601) 14.699 ======================= Grid point 76 (20/50) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -0.000 -0.000 6.193) 6.193 2.296 ( -0.000 -0.000 6.193) 6.193 2.583 ( -0.000 -0.000 9.040) 9.040 2.583 ( 0.000 0.000 9.040) 9.040 2.599 ( 0.000 0.000 3.182) 3.182 2.599 ( 0.000 0.000 3.182) 3.182 2.751 ( 0.000 0.000 6.010) 6.010 2.751 ( 0.000 0.000 6.010) 6.010 3.622 ( -0.000 -0.000 -6.937) 6.937 3.622 ( 0.000 0.000 -6.937) 6.937 3.698 ( 0.000 0.000 -8.594) 8.594 3.698 ( 0.000 0.000 -8.594) 8.594 4.443 ( -0.000 -0.000 4.163) 4.163 4.443 ( 0.000 0.000 4.163) 4.163 4.576 ( 0.000 0.000 -3.904) 3.904 4.576 ( 0.000 0.000 -3.904) 3.904 4.720 ( 0.000 0.000 3.897) 3.897 4.720 ( 0.000 0.000 3.897) 3.897 4.948 ( -0.000 -0.000 -5.441) 5.441 4.948 ( 0.000 0.000 -5.441) 5.441 5.444 ( 0.000 0.000 0.860) 0.860 5.444 ( 0.000 0.000 0.860) 0.860 5.623 ( 0.000 0.000 -2.062) 2.062 5.623 ( 0.000 0.000 -2.062) 2.062 6.205 ( 0.000 0.000 4.171) 4.171 6.205 ( 0.000 0.000 4.171) 4.171 7.286 ( 0.000 0.000 7.676) 7.676 7.286 ( 0.000 0.000 7.676) 7.676 7.920 ( 0.000 0.000 8.865) 8.865 7.920 ( 0.000 0.000 8.865) 8.865 8.940 ( 0.000 0.000 0.304) 0.304 8.940 ( 0.000 0.000 0.304) 0.304 9.319 ( 0.000 0.000 11.896) 11.896 9.319 ( 0.000 0.000 11.896) 11.896 9.621 ( 0.000 0.000 -1.697) 1.697 9.621 ( 0.000 0.000 -1.697) 1.697 9.975 ( 0.000 0.000 -1.849) 1.849 9.975 ( 0.000 0.000 -1.849) 1.849 10.447 ( 0.000 0.000 6.970) 6.970 10.447 ( 0.000 0.000 6.970) 6.970 10.956 ( 0.000 0.000 2.263) 2.263 10.956 ( 0.000 0.000 2.263) 2.263 11.240 ( 0.000 0.000 2.328) 2.328 11.240 ( 0.000 0.000 2.328) 2.328 12.685 ( 0.000 0.000 2.265) 2.265 12.685 ( 0.000 0.000 2.265) 2.265 13.511 ( 0.000 0.000 0.615) 0.615 13.511 ( 0.000 0.000 0.615) 0.615 22.054 ( 0.000 0.000 0.251) 0.251 22.054 ( 0.000 0.000 0.251) 0.251 22.427 ( 0.000 0.000 3.997) 3.997 22.427 ( 0.000 0.000 3.997) 3.997 23.506 ( 0.000 0.000 0.003) 0.003 23.506 ( 0.000 0.000 0.003) 0.003 25.169 ( 0.000 0.000 -11.840) 11.840 25.169 ( 0.000 0.000 -11.840) 11.840 25.642 ( 0.000 0.000 4.002) 4.002 25.642 ( 0.000 0.000 4.002) 4.002 25.986 ( -0.000 -0.000 1.069) 1.069 25.986 ( 0.000 0.000 1.069) 1.069 27.392 ( -0.000 -0.000 -14.579) 14.579 27.392 ( -0.000 -0.000 -14.579) 14.579 27.395 ( -0.000 -0.000 0.674) 0.674 27.395 ( 0.000 0.000 0.674) 0.674 27.867 ( 0.000 0.000 -0.771) 0.771 27.867 ( 0.000 0.000 -0.771) 0.771 28.253 ( 0.000 0.000 13.246) 13.246 28.253 ( 0.000 0.000 13.246) 13.246 28.554 ( 0.000 0.000 -17.127) 17.127 28.554 ( 0.000 0.000 -17.127) 17.127 29.836 ( 0.000 0.000 12.997) 12.997 29.836 ( 0.000 0.000 12.997) 12.997 ======================= Grid point 98 (21/50) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.000 0.000 29.814) 29.814 1.227 ( 0.000 0.000 29.814) 29.814 1.986 ( 0.000 0.000 46.942) 46.942 2.694 ( -0.000 -0.000 -0.890) 0.890 2.827 ( -0.000 -0.000 -0.403) 0.403 2.906 ( -0.000 0.000 -2.589) 2.589 2.906 ( 0.000 0.000 -2.589) 2.589 3.126 ( 0.000 0.000 -11.638) 11.638 3.126 ( 0.000 0.000 -11.638) 11.638 3.386 ( 0.000 0.000 -21.473) 21.473 3.545 ( -0.000 -0.000 -14.493) 14.493 3.675 ( 0.000 0.000 -11.939) 11.939 3.675 ( 0.000 0.000 -11.939) 11.939 3.799 ( 0.000 0.000 0.852) 0.852 4.054 ( 0.000 0.000 13.875) 13.875 4.054 ( 0.000 -0.000 13.875) 13.875 4.067 ( 0.000 0.000 0.280) 0.280 5.056 ( -0.000 -0.000 -0.469) 0.469 5.224 ( 0.000 0.000 3.150) 3.150 5.224 ( 0.000 0.000 3.150) 3.150 5.301 ( 0.000 0.000 9.684) 9.684 6.288 ( 0.000 0.000 -8.237) 8.237 6.288 ( -0.000 -0.000 -8.237) 8.237 6.316 ( 0.000 0.000 -6.752) 6.752 6.922 ( 0.000 0.000 3.128) 3.128 7.676 ( 0.000 0.000 1.007) 1.007 7.676 ( -0.000 -0.000 1.007) 1.007 8.020 ( -0.000 -0.000 6.534) 6.534 8.389 ( 0.000 0.000 6.452) 6.452 8.638 ( 0.000 0.000 6.650) 6.650 8.638 ( 0.000 0.000 6.650) 6.650 8.657 ( 0.000 0.000 -1.801) 1.801 8.793 ( 0.000 0.000 8.604) 8.604 9.032 ( -0.000 0.000 -2.254) 2.254 9.032 ( -0.000 -0.000 -2.254) 2.254 9.237 ( 0.000 0.000 2.562) 2.562 9.237 ( 0.000 0.000 2.562) 2.562 9.711 ( -0.000 0.000 2.501) 2.501 9.865 ( 0.000 0.000 0.752) 0.752 9.865 ( 0.000 0.000 0.752) 0.752 10.421 ( -0.000 0.000 23.341) 23.341 11.286 ( 0.000 0.000 7.516) 7.516 12.317 ( 0.000 0.000 -2.798) 2.798 12.526 ( 0.000 0.000 1.777) 1.777 12.526 ( 0.000 0.000 1.777) 1.777 12.938 ( 0.000 0.000 1.490) 1.490 13.165 ( 0.000 0.000 9.701) 9.701 14.218 ( 0.000 0.000 -2.251) 2.251 21.308 ( -0.000 -0.000 -4.153) 4.153 21.846 ( -0.000 0.000 -3.013) 3.013 22.473 ( 0.000 0.000 4.142) 4.142 22.473 ( 0.000 -0.000 4.142) 4.142 23.293 ( 0.000 0.000 -2.306) 2.306 23.293 ( -0.000 -0.000 -2.306) 2.306 24.135 ( -0.000 -0.000 -0.517) 0.517 24.135 ( 0.000 -0.000 -0.517) 0.517 24.245 ( -0.000 0.000 -3.560) 3.560 25.104 ( 0.000 0.000 0.823) 0.823 25.478 ( 0.000 0.000 6.001) 6.001 26.493 ( 0.000 0.000 -0.580) 0.580 26.992 ( 0.000 0.000 2.732) 2.732 27.288 ( -0.000 0.000 -1.673) 1.673 27.297 ( 0.000 0.000 3.208) 3.208 27.297 ( -0.000 -0.000 3.208) 3.208 28.090 ( 0.000 0.000 2.975) 2.975 28.469 ( 0.000 -0.000 -0.980) 0.980 28.469 ( 0.000 -0.000 -0.980) 0.980 28.660 ( 0.000 0.000 -2.736) 2.736 28.660 ( 0.000 0.000 -2.736) 2.736 29.671 ( 0.000 0.000 -4.464) 4.464 29.901 ( 0.000 0.000 -3.214) 3.214 31.532 ( 0.000 0.000 3.601) 3.601 ======================= Grid point 99 (22/50) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 10.601 0.000 25.872) 27.959 1.411 ( 13.025 0.000 26.270) 29.322 2.240 ( 24.027 0.000 36.304) 43.535 2.573 ( -11.375 0.000 1.753) 11.509 2.849 ( -16.798 0.000 -9.467) 19.282 2.855 ( 7.160 0.000 -1.395) 7.295 3.031 ( 7.541 0.000 0.502) 7.558 3.038 ( 7.055 0.000 -4.096) 8.157 3.181 ( 4.918 0.000 -8.699) 9.993 3.520 ( 10.336 0.000 -17.557) 20.374 3.573 ( 3.662 0.000 -9.879) 10.536 3.649 ( -3.704 0.000 -7.591) 8.446 3.751 ( -1.963 0.000 -2.671) 3.315 3.809 ( 2.274 0.000 -7.591) 7.925 3.963 ( 4.104 0.000 -6.795) 7.938 4.073 ( 0.610 0.000 12.232) 12.247 4.187 ( 4.113 0.000 8.463) 9.409 4.933 ( -12.900 0.000 3.889) 13.473 5.153 ( -2.737 0.000 2.555) 3.745 5.285 ( 5.823 0.000 2.078) 6.183 5.330 ( 0.344 0.000 6.092) 6.102 6.210 ( -7.210 0.000 -7.848) 10.657 6.212 ( -6.313 0.000 -7.400) 9.727 6.269 ( -4.663 0.000 -6.297) 7.836 7.044 ( 10.879 0.000 2.995) 11.284 7.558 ( -8.750 0.000 1.775) 8.928 7.682 ( 0.427 0.000 1.141) 1.219 7.945 ( -7.540 0.000 10.465) 12.898 8.279 ( -17.393 0.000 1.398) 17.449 8.555 ( -2.381 0.000 2.624) 3.544 8.603 ( 0.177 0.000 1.961) 1.969 8.791 ( 6.655 0.000 2.258) 7.027 8.836 ( 12.586 0.000 4.759) 13.456 8.941 ( -7.366 0.000 -0.959) 7.428 8.954 ( -3.385 0.000 7.461) 8.193 9.186 ( -4.304 0.000 2.351) 4.904 9.630 ( 23.383 0.000 8.920) 25.027 9.805 ( 7.198 0.000 1.903) 7.445 9.871 ( 0.979 0.000 0.613) 1.155 9.942 ( 12.367 0.000 0.950) 12.403 10.831 ( 29.901 0.000 15.292) 33.584 11.251 ( -2.429 0.000 7.690) 8.065 11.999 ( -18.189 0.000 0.593) 18.199 12.491 ( -2.828 0.000 1.717) 3.308 12.752 ( 9.651 0.000 -2.752) 10.035 12.860 ( -7.096 0.000 1.432) 7.239 13.144 ( -2.367 0.000 9.517) 9.807 13.873 ( -27.076 0.000 8.709) 28.443 21.393 ( 8.232 0.000 -3.461) 8.930 22.008 ( 14.578 0.000 -2.937) 14.871 22.504 ( 2.888 0.000 3.711) 4.702 22.778 ( 5.484 0.000 -9.985) 11.392 23.243 ( -4.179 0.000 -1.444) 4.421 23.305 ( 13.708 0.000 -3.748) 14.211 24.029 ( -10.082 0.000 -0.304) 10.086 24.168 ( 6.595 0.000 -7.988) 10.359 24.560 ( 25.466 0.000 -3.012) 25.644 25.185 ( 7.505 0.000 0.844) 7.552 25.529 ( 4.223 0.000 5.457) 6.900 26.488 ( 1.159 0.000 -0.983) 1.520 27.016 ( 0.402 0.000 2.110) 2.148 27.155 ( -9.652 0.000 -1.462) 9.762 27.365 ( 6.373 0.000 3.075) 7.076 27.376 ( 5.324 0.000 2.770) 6.001 28.058 ( -3.219 0.000 2.092) 3.839 28.384 ( -8.333 0.000 0.085) 8.333 28.466 ( -2.462 0.000 -3.748) 4.484 28.511 ( -10.406 0.000 -4.035) 11.161 28.666 ( 1.374 0.000 -3.811) 4.051 29.561 ( -10.113 0.000 -4.531) 11.082 29.951 ( 3.963 0.000 0.743) 4.032 31.205 ( -26.252 0.000 14.908) 30.190 ======================= Grid point 100 (23/50) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 15.713 0.000 18.278) 24.104 1.690 ( 14.309 0.000 19.945) 24.547 2.296 ( -14.762 0.000 5.904) 15.899 2.426 ( -19.447 0.000 -0.779) 19.463 2.873 ( 28.195 0.000 13.376) 31.207 3.036 ( 8.793 0.000 -3.344) 9.408 3.160 ( 4.247 0.000 -4.672) 6.314 3.293 ( 18.293 0.000 8.520) 20.180 3.294 ( 4.836 0.000 -4.368) 6.517 3.516 ( -7.569 0.000 -2.876) 8.097 3.520 ( -8.891 0.000 -2.597) 9.263 3.781 ( 13.963 0.000 -12.959) 19.050 3.783 ( 4.757 0.000 -4.640) 6.645 3.925 ( 11.250 0.000 -6.255) 12.872 4.043 ( -3.774 0.000 9.030) 9.787 4.093 ( 2.068 0.000 -13.431) 13.589 4.209 ( -2.617 0.000 5.068) 5.704 4.544 ( -22.807 0.000 7.906) 24.139 5.141 ( 1.719 0.000 -0.693) 1.854 5.305 ( -2.635 0.000 2.615) 3.712 5.463 ( 11.004 0.000 -0.708) 11.027 6.002 ( -12.235 0.000 -6.532) 13.869 6.071 ( -5.775 0.000 -5.508) 7.981 6.141 ( -6.842 0.000 -4.611) 8.251 7.322 ( 14.168 0.000 2.664) 14.417 7.410 ( -3.883 0.000 3.657) 5.334 7.667 ( -15.336 0.000 9.281) 17.926 7.675 ( -1.830 0.000 1.574) 2.414 8.103 ( -0.562 0.000 4.931) 4.963 8.405 ( -13.403 0.000 6.603) 14.942 8.548 ( 1.621 0.000 2.308) 2.820 8.760 ( -7.906 0.000 0.486) 7.921 8.914 ( 3.760 0.000 2.785) 4.679 8.995 ( 8.388 0.000 10.030) 13.075 9.080 ( -5.330 0.000 1.992) 5.690 9.144 ( 7.905 0.000 6.465) 10.212 9.911 ( 3.498 0.000 0.482) 3.531 9.947 ( 4.572 0.000 1.438) 4.793 10.036 ( 16.853 0.000 8.511) 18.880 10.287 ( 14.019 0.000 3.305) 14.403 11.122 ( 0.281 0.000 6.146) 6.152 11.510 ( 10.631 0.000 1.758) 10.776 11.724 ( 6.750 0.000 10.247) 12.270 12.444 ( -0.647 0.000 1.533) 1.664 12.673 ( -9.834 0.000 1.335) 9.924 12.792 ( -10.607 0.000 2.323) 10.859 13.060 ( -2.884 0.000 6.286) 6.916 13.350 ( -18.066 0.000 9.885) 20.594 21.649 ( 16.137 0.000 -1.787) 16.236 22.373 ( 17.406 0.000 -2.377) 17.568 22.505 ( -21.154 0.000 -1.612) 21.216 22.584 ( 4.207 0.000 2.126) 4.714 23.171 ( -0.471 0.000 0.405) 0.621 23.729 ( -17.959 0.000 0.012) 17.959 23.763 ( 20.554 0.000 -12.528) 24.071 24.258 ( -1.059 0.000 -10.211) 10.266 25.271 ( 38.780 0.000 -9.792) 39.997 25.385 ( 10.522 0.000 1.404) 10.615 25.606 ( 1.892 0.000 4.217) 4.622 26.506 ( -9.431 0.000 -1.982) 9.637 26.871 ( 2.046 0.000 -7.612) 7.882 27.181 ( 6.786 0.000 1.495) 6.948 27.426 ( -1.539 0.000 3.617) 3.930 27.553 ( 11.408 0.000 2.632) 11.708 27.886 ( -16.324 0.000 -4.997) 17.072 28.139 ( -14.255 0.000 1.126) 14.299 28.291 ( -2.974 0.000 -6.966) 7.574 28.441 ( -3.481 0.000 -0.087) 3.482 28.748 ( 6.949 0.000 -4.699) 8.389 29.282 ( -15.552 0.000 -4.715) 16.252 30.054 ( 6.484 0.000 7.985) 10.285 30.650 ( -23.904 0.000 21.258) 31.989 ======================= Grid point 101 (24/50) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -16.367 0.000 11.350) 19.917 1.969 ( 16.367 0.000 11.350) 19.917 2.027 ( -17.985 0.000 9.507) 20.343 2.027 ( 17.985 0.000 9.507) 20.343 3.178 ( -3.514 0.000 -4.278) 5.536 3.178 ( 3.514 0.000 -4.278) 5.536 3.286 ( -13.389 0.000 -2.257) 13.578 3.286 ( 13.389 0.000 -2.257) 13.578 3.380 ( -4.705 0.000 -3.686) 5.977 3.380 ( 4.705 0.000 -3.686) 5.977 3.829 ( -27.250 0.000 12.234) 29.871 3.829 ( 27.250 0.000 12.234) 29.871 3.921 ( -7.285 0.000 2.979) 7.871 3.921 ( 7.285 0.000 2.979) 7.871 4.053 ( -10.043 0.000 -6.507) 11.966 4.053 ( 10.043 0.000 -6.507) 11.966 4.175 ( -9.743 0.000 -4.193) 10.607 4.175 ( 9.743 0.000 -4.193) 10.607 5.220 ( -5.036 0.000 -1.457) 5.242 5.220 ( 5.036 0.000 -1.457) 5.242 5.726 ( -13.628 0.000 -4.017) 14.208 5.726 ( 13.628 0.000 -4.017) 14.208 6.030 ( -2.425 0.000 -3.545) 4.296 6.030 ( 2.425 0.000 -3.545) 4.296 7.432 ( -6.344 0.000 6.018) 8.744 7.432 ( 6.344 0.000 6.018) 8.744 7.571 ( -8.712 0.000 2.166) 8.978 7.571 ( 8.712 0.000 2.166) 8.978 8.178 ( -7.484 0.000 8.522) 11.342 8.178 ( 7.484 0.000 8.522) 11.342 8.620 ( -5.209 0.000 1.764) 5.500 8.620 ( 5.209 0.000 1.764) 5.500 8.984 ( -3.648 0.000 2.190) 4.255 8.984 ( 3.648 0.000 2.190) 4.255 9.158 ( -5.419 0.000 10.169) 11.523 9.158 ( 5.419 0.000 10.169) 11.523 9.977 ( -1.652 0.000 0.952) 1.907 9.977 ( 1.652 0.000 0.952) 1.907 10.329 ( -9.214 0.000 5.434) 10.696 10.329 ( 9.214 0.000 5.434) 10.696 11.282 ( -14.167 0.000 2.953) 14.472 11.282 ( 14.167 0.000 2.953) 14.472 12.306 ( -30.160 0.000 10.916) 32.075 12.306 ( 30.160 0.000 10.916) 32.075 12.497 ( -5.975 0.000 1.352) 6.126 12.497 ( 5.975 0.000 1.352) 6.126 13.119 ( -6.786 0.000 3.137) 7.475 13.119 ( 6.786 0.000 3.137) 7.475 22.048 ( -21.423 0.000 -0.436) 21.427 22.048 ( 21.423 0.000 -0.436) 21.427 22.607 ( -4.247 0.000 -0.301) 4.258 22.607 ( 4.247 0.000 -0.301) 4.258 23.341 ( -16.634 0.000 0.617) 16.645 23.341 ( 16.634 0.000 0.617) 16.645 24.108 ( -12.505 0.000 -10.467) 16.308 24.108 ( 12.505 0.000 -10.467) 16.308 25.568 ( -5.842 0.000 2.707) 6.439 25.568 ( 5.842 0.000 2.707) 6.439 26.018 ( -31.325 0.000 -6.579) 32.009 26.018 ( 31.325 0.000 -6.579) 32.009 27.175 ( -14.385 0.000 -6.594) 15.825 27.175 ( 14.385 0.000 -6.594) 15.825 27.484 ( -15.084 0.000 -1.727) 15.182 27.484 ( 15.084 0.000 -1.727) 15.182 27.829 ( -14.665 0.000 1.917) 14.789 27.829 ( 14.665 0.000 1.917) 14.789 28.343 ( -5.176 0.000 -1.917) 5.520 28.343 ( 5.176 0.000 -1.917) 5.520 28.965 ( -13.632 0.000 -4.876) 14.478 28.965 ( 13.632 0.000 -4.876) 14.478 30.257 ( -13.786 0.000 15.865) 21.018 30.257 ( 13.786 0.000 15.865) 21.018 ======================= Grid point 106 (25/50) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 9.257 9.257 22.982) 26.449 1.515 ( 12.382 12.382 24.294) 29.948 2.451 ( 18.964 18.964 25.887) 37.274 2.642 ( -1.350 -1.350 1.428) 2.385 2.764 ( 1.900 1.900 5.275) 5.920 2.908 ( -4.792 -4.792 -6.452) 9.357 2.971 ( -4.307 -4.307 -7.719) 9.832 3.090 ( 5.610 5.610 -4.664) 9.203 3.167 ( 6.897 6.897 0.652) 9.775 3.522 ( -0.457 -0.457 -7.866) 7.893 3.618 ( 8.631 8.631 -13.860) 18.468 3.643 ( -4.978 -4.978 -2.386) 7.434 3.723 ( -3.859 -3.859 -2.599) 6.045 3.910 ( -5.455 -5.455 11.510) 13.856 3.970 ( 10.450 10.450 -14.315) 20.575 4.047 ( 6.552 6.552 -13.135) 16.074 4.327 ( 6.793 6.793 10.965) 14.578 4.952 ( -2.719 -2.719 1.915) 4.295 5.042 ( -5.949 -5.949 5.899) 10.275 5.282 ( 1.030 1.030 1.642) 2.195 5.322 ( -1.487 -1.487 4.315) 4.800 6.131 ( -6.956 -6.956 -6.977) 12.060 6.143 ( -6.507 -6.507 -7.519) 11.883 6.216 ( -4.966 -4.966 -5.659) 9.019 7.103 ( 4.160 4.160 3.978) 7.102 7.161 ( -16.700 -16.700 3.581) 23.888 7.813 ( -11.463 -11.463 9.529) 18.804 8.091 ( -8.671 -8.671 2.573) 12.530 8.125 ( 17.319 17.319 0.667) 24.502 8.326 ( -10.444 -10.444 1.502) 14.846 8.706 ( -4.329 -4.329 6.915) 9.235 8.772 ( -3.499 -3.499 3.645) 6.146 8.845 ( -0.770 -0.770 5.686) 5.789 8.964 ( 11.674 11.674 0.999) 16.539 9.040 ( 5.893 5.893 2.960) 8.844 9.332 ( 5.023 5.023 1.600) 7.281 9.680 ( 7.038 7.038 8.854) 13.322 9.874 ( 5.523 5.523 2.040) 8.072 9.967 ( 10.530 10.530 0.512) 14.900 9.997 ( 6.356 6.356 3.136) 9.520 11.157 ( 25.993 25.993 12.851) 38.942 11.207 ( -3.628 -3.628 7.705) 9.257 11.910 ( -9.573 -9.573 0.623) 13.553 12.230 ( -13.141 -13.141 0.557) 18.593 12.703 ( -12.372 -12.372 4.768) 18.135 12.920 ( 3.836 3.836 -0.307) 5.433 13.177 ( 3.260 3.260 6.622) 8.069 13.709 ( -13.156 -13.156 8.805) 20.583 21.465 ( 6.964 6.964 -2.888) 10.263 22.170 ( 14.438 14.438 -2.784) 20.607 22.502 ( 0.715 0.715 3.034) 3.198 22.895 ( -0.513 -0.513 -8.127) 8.159 23.008 ( -11.050 -11.050 3.687) 16.057 23.573 ( 19.819 19.819 -11.920) 30.458 23.874 ( -6.935 -6.935 -4.540) 10.808 24.531 ( 7.287 7.287 -5.721) 11.787 24.601 ( 21.675 21.675 -6.965) 31.434 25.258 ( 6.725 6.725 1.206) 9.586 25.575 ( 3.814 3.814 5.085) 7.413 26.475 ( 0.152 0.152 -1.252) 1.270 27.033 ( -9.859 -9.859 -2.682) 14.199 27.058 ( 3.064 3.064 2.507) 5.006 27.368 ( 2.529 2.529 3.160) 4.772 27.503 ( 7.941 7.941 2.458) 11.496 28.020 ( -3.818 -3.818 1.378) 5.573 28.327 ( -8.155 -8.155 -3.692) 12.110 28.359 ( -6.280 -6.280 -1.105) 8.950 28.518 ( -3.977 -3.977 1.033) 5.718 28.597 ( -0.864 -0.864 -10.306) 10.378 29.445 ( -10.619 -10.619 -4.377) 15.642 29.987 ( 2.753 2.753 3.112) 4.984 30.968 ( -19.635 -19.635 19.418) 33.884 ======================= Grid point 107 (26/50) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 14.068 7.073 16.816) 23.038 1.806 ( 14.566 13.459 19.494) 27.809 2.420 ( -13.119 9.248 5.774) 17.058 2.529 ( -19.407 10.597 1.036) 22.136 2.883 ( 14.235 -5.475 1.885) 15.368 3.034 ( 17.233 5.398 4.952) 18.725 3.177 ( 13.238 -9.299 -1.041) 16.211 3.211 ( 3.760 2.127 -4.627) 6.330 3.349 ( 9.204 1.618 6.937) 11.639 3.468 ( -3.514 -1.846 -1.507) 4.246 3.538 ( -1.142 2.245 -3.229) 4.095 3.618 ( -2.677 -1.372 -3.234) 4.416 3.776 ( -4.592 -13.182 9.116) 16.672 3.896 ( 12.200 4.849 -11.352) 17.356 4.178 ( 1.849 7.144 -16.682) 18.242 4.199 ( 11.391 15.376 -10.052) 21.615 4.391 ( -2.846 9.140 9.585) 13.547 4.659 ( -17.252 10.418 5.530) 20.898 5.073 ( 3.313 -6.443 0.732) 7.282 5.258 ( -3.840 -4.195 2.024) 6.037 5.390 ( 9.314 -6.243 -0.074) 11.213 5.925 ( -12.365 -6.950 -5.839) 15.339 5.995 ( -6.014 -7.183 -5.613) 10.921 6.079 ( -7.430 -5.669 -4.272) 10.276 6.932 ( -5.186 -24.543 3.916) 25.389 7.099 ( -6.418 -17.868 6.434) 20.046 7.637 ( -1.018 -3.575 4.808) 6.077 7.922 ( -9.731 -3.288 5.501) 11.652 8.194 ( 3.772 5.272 4.667) 7.988 8.415 ( 5.194 16.252 4.967) 17.770 8.529 ( -7.732 -2.501 9.717) 12.667 8.630 ( -8.121 -8.891 5.632) 13.294 8.934 ( 7.604 2.100 4.467) 9.066 9.141 ( 4.041 11.138 4.531) 12.685 9.234 ( 8.295 7.972 2.687) 11.814 9.325 ( -2.245 15.620 0.892) 15.806 9.853 ( 7.423 -1.728 1.539) 7.776 9.979 ( 3.337 2.822 1.665) 4.677 10.150 ( 11.419 8.162 7.051) 15.708 10.310 ( 13.643 2.545 4.687) 14.649 11.118 ( -1.694 -2.122 7.878) 8.333 11.595 ( -15.000 0.906 -0.472) 15.035 11.747 ( 21.681 5.542 10.602) 24.762 12.133 ( 5.720 -18.246 0.819) 19.139 12.371 ( -17.379 -21.771 7.660) 28.890 12.849 ( -10.731 2.245 4.662) 11.913 13.247 ( 2.606 10.530 1.347) 10.931 13.443 ( -10.327 5.300 4.757) 12.544 21.687 ( 14.264 3.792 -1.432) 14.828 22.420 ( -8.651 -2.414 -0.650) 9.005 22.540 ( 8.664 9.694 -1.268) 13.063 22.665 ( -2.926 4.828 3.204) 6.491 22.987 ( 4.142 -12.821 2.107) 13.638 23.661 ( -14.741 -2.337 -2.253) 15.094 24.004 ( 18.835 18.211 -14.266) 29.831 24.514 ( -4.166 18.012 -10.104) 21.068 25.302 ( 35.164 4.720 -8.535) 36.491 25.442 ( 10.611 4.867 1.673) 11.793 25.650 ( 2.545 3.702 3.496) 5.692 26.460 ( -9.056 -3.927 -1.369) 9.966 26.853 ( 2.425 -1.673 -8.485) 8.982 27.169 ( 6.182 0.044 1.486) 6.358 27.416 ( 0.294 0.135 3.068) 3.085 27.660 ( 6.923 7.778 2.454) 10.698 27.828 ( -16.610 -5.577 -4.898) 18.193 28.089 ( -9.659 -3.785 -0.791) 10.404 28.288 ( -2.115 -6.222 -2.908) 7.186 28.381 ( -4.759 0.398 -1.489) 5.002 28.667 ( 5.512 -7.123 -6.365) 11.029 29.156 ( -15.853 -11.468 -4.346) 20.043 30.058 ( 4.607 0.126 8.084) 9.305 30.534 ( -19.395 -10.047 20.512) 29.964 ======================= Grid point 108 (27/50) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -5.877 6.820 11.374) 14.505 2.035 ( 5.877 6.820 11.374) 14.505 2.194 ( -5.269 13.898 10.141) 17.993 2.194 ( 5.269 13.898 10.141) 17.993 3.122 ( -9.326 -6.770 -0.868) 11.557 3.122 ( 9.326 -6.770 -0.868) 11.557 3.279 ( -5.179 0.740 -4.693) 7.028 3.279 ( 5.179 0.740 -4.693) 7.028 3.411 ( -6.647 0.563 -3.351) 7.465 3.411 ( 6.647 0.563 -3.351) 7.465 3.637 ( -5.678 -13.468 4.403) 15.265 3.637 ( 5.678 -13.468 4.403) 15.265 3.936 ( -25.054 9.706 9.390) 28.463 3.936 ( 25.054 9.706 9.390) 28.463 4.161 ( -11.535 6.378 -11.101) 17.233 4.161 ( 11.535 6.378 -11.101) 17.233 4.433 ( -8.505 16.794 -0.805) 18.842 4.433 ( 8.505 16.794 -0.805) 18.842 5.161 ( -5.079 -5.472 -0.903) 7.520 5.161 ( 5.079 -5.472 -0.903) 7.520 5.644 ( -13.808 -7.464 -3.248) 16.029 5.644 ( 13.808 -7.464 -3.248) 16.029 5.956 ( -2.880 -6.918 -3.565) 8.299 5.956 ( 2.880 -6.918 -3.565) 8.299 6.941 ( -5.554 -26.261 5.181) 27.337 6.941 ( 5.554 -26.261 5.181) 27.337 7.729 ( -7.789 -3.962 5.886) 10.536 7.729 ( 7.789 -3.962 5.886) 10.536 8.343 ( -8.220 13.335 6.549) 16.979 8.343 ( 8.220 13.335 6.549) 16.979 8.506 ( -3.155 -5.119 7.201) 9.381 8.506 ( 3.155 -5.119 7.201) 9.381 9.099 ( -6.864 10.455 6.467) 14.080 9.099 ( 6.864 10.455 6.467) 14.080 9.314 ( -1.198 11.268 1.913) 11.492 9.314 ( 1.198 11.268 1.913) 11.492 9.978 ( -3.681 0.545 0.128) 3.724 9.978 ( 3.681 0.545 0.128) 3.724 10.372 ( -7.111 3.915 7.065) 10.762 10.372 ( 7.111 3.915 7.065) 10.762 11.257 ( -14.290 -3.292 4.421) 15.316 11.257 ( 14.290 -3.292 4.421) 15.316 12.053 ( -12.159 -23.083 5.878) 26.743 12.053 ( 12.159 -23.083 5.878) 26.743 12.493 ( -21.723 5.572 5.636) 23.124 12.493 ( 21.723 5.572 5.636) 23.124 13.303 ( -3.759 11.102 1.037) 11.767 13.303 ( 3.759 11.102 1.037) 11.767 22.045 ( -19.461 -0.038 -0.190) 19.462 22.045 ( 19.461 -0.038 -0.190) 19.462 22.658 ( -3.397 1.765 2.023) 4.330 22.658 ( 3.397 1.765 2.023) 4.330 23.279 ( -20.062 -0.705 -0.149) 20.075 23.279 ( 20.062 -0.705 -0.149) 20.075 24.336 ( -12.730 17.749 -11.864) 24.857 24.336 ( 12.730 17.749 -11.864) 24.857 25.600 ( -5.110 2.905 3.240) 6.711 25.600 ( 5.110 2.905 3.240) 6.711 26.024 ( -28.306 0.488 -5.186) 28.781 26.024 ( 28.306 0.488 -5.186) 28.781 27.150 ( -15.114 -2.126 -8.622) 17.530 27.150 ( 15.114 -2.126 -8.622) 17.530 27.448 ( -10.126 -2.364 -0.557) 10.413 27.448 ( 10.126 -2.364 -0.557) 10.413 27.870 ( -11.026 2.741 2.303) 11.593 27.870 ( 11.026 2.741 2.303) 11.593 28.310 ( -2.994 -2.640 -2.193) 4.555 28.310 ( 2.994 -2.640 -2.193) 4.555 28.847 ( -12.321 -10.587 -4.950) 16.982 28.847 ( 12.321 -10.587 -4.950) 16.982 30.213 ( -11.075 -3.859 14.641) 18.759 30.213 ( 11.075 -3.859 14.641) 18.759 ======================= Grid point 114 (28/50) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 12.628 12.628 13.348) 22.296 2.129 ( 15.544 15.544 17.821) 28.298 2.566 ( -1.586 -1.586 3.097) 3.824 2.719 ( -0.997 -0.997 3.764) 4.020 2.817 ( 0.083 0.083 9.592) 9.593 2.867 ( 0.637 0.637 5.765) 5.835 3.143 ( -6.316 -6.316 -0.509) 8.947 3.309 ( 2.802 2.802 -7.138) 8.165 3.312 ( 3.522 3.522 -4.519) 6.725 3.504 ( 0.413 0.413 -5.611) 5.642 3.511 ( -10.536 -10.536 12.077) 19.180 3.562 ( -1.721 -1.721 -7.599) 7.980 3.773 ( 18.414 18.414 10.440) 28.057 4.091 ( 12.339 12.339 -11.493) 20.895 4.360 ( 6.475 6.475 -12.448) 15.453 4.472 ( 11.423 11.423 -12.935) 20.695 4.527 ( 1.706 1.706 7.817) 8.181 4.816 ( -3.948 -3.948 3.325) 6.499 4.954 ( 2.556 2.556 2.665) 4.491 5.143 ( -6.921 -6.921 -0.622) 9.807 5.287 ( 0.176 0.176 1.638) 1.657 5.741 ( -10.731 -10.731 -3.234) 15.517 5.800 ( -8.897 -8.897 -5.662) 13.798 5.921 ( -8.817 -8.817 -3.543) 12.962 6.543 ( -11.563 -11.563 3.695) 16.765 6.712 ( -16.818 -16.818 5.817) 24.485 7.558 ( -2.042 -2.042 9.171) 9.614 7.742 ( -9.862 -9.862 10.303) 17.341 8.228 ( -0.908 -0.908 10.419) 10.498 8.379 ( -9.483 -9.483 9.571) 16.476 8.569 ( 8.339 8.339 4.998) 12.809 8.914 ( 1.423 1.423 0.999) 2.247 8.987 ( 20.414 20.414 8.492) 30.093 9.347 ( 7.055 7.055 5.418) 11.353 9.412 ( 7.853 7.853 -1.894) 11.266 9.572 ( 4.758 4.758 2.447) 7.160 9.866 ( 3.383 3.383 1.210) 4.936 10.025 ( 0.889 0.889 1.253) 1.775 10.348 ( 9.234 9.234 6.649) 14.654 10.430 ( 8.631 8.631 7.798) 14.484 11.037 ( -3.264 -3.264 9.473) 10.539 11.479 ( -17.072 -17.072 2.400) 24.262 11.547 ( -8.228 -8.228 2.028) 11.812 11.901 ( -21.351 -21.351 8.404) 31.343 12.268 ( 20.480 20.480 4.473) 29.307 12.843 ( -3.822 -3.822 4.602) 7.099 13.404 ( 4.654 4.654 -0.235) 6.587 13.495 ( -0.142 -0.142 0.315) 0.373 21.818 ( 8.891 8.891 -0.525) 12.585 22.305 ( -9.290 -9.290 -0.107) 13.139 22.619 ( -1.832 -1.832 6.386) 6.891 22.673 ( -5.923 -5.923 3.144) 8.947 23.017 ( 18.043 18.043 0.191) 25.518 23.613 ( -4.960 -4.960 -1.866) 7.259 24.399 ( 18.028 18.028 -15.257) 29.712 24.781 ( 4.454 4.454 -13.586) 14.976 25.538 ( 16.200 16.200 -1.290) 22.947 25.568 ( 6.782 6.782 3.036) 10.061 25.740 ( 5.381 5.381 0.151) 7.612 26.333 ( -9.692 -9.692 -0.114) 13.707 26.860 ( 5.400 5.400 -11.739) 14.004 27.208 ( 2.842 2.842 -0.153) 4.022 27.423 ( -0.308 -0.308 1.814) 1.866 27.627 ( -13.395 -13.395 -5.644) 19.766 27.814 ( 5.194 5.194 4.039) 8.382 28.007 ( -4.872 -4.872 -0.239) 6.894 28.127 ( -2.113 -2.113 -7.096) 7.700 28.441 ( 0.040 0.040 6.093) 6.093 28.497 ( -5.290 -5.290 -11.999) 14.141 28.854 ( -15.661 -15.661 -3.395) 22.407 30.062 ( 0.851 0.851 8.867) 8.948 30.298 ( -10.919 -10.919 16.969) 22.943 ======================= Grid point 115 (29/50) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -12.146 11.857 9.557) 19.480 2.237 ( 12.146 11.857 9.557) 19.480 2.528 ( -12.294 16.692 12.851) 24.391 2.528 ( 12.294 16.692 12.851) 24.391 2.906 ( -12.073 -12.937 2.586) 17.883 2.906 ( 12.073 -12.937 2.586) 17.883 3.181 ( -13.570 -12.274 9.426) 20.582 3.181 ( 13.570 -12.274 9.426) 20.582 3.397 ( -3.108 2.433 -8.312) 9.202 3.397 ( 3.108 2.433 -8.312) 9.202 3.517 ( -1.971 -1.243 -8.150) 8.477 3.517 ( 1.971 -1.243 -8.150) 8.477 4.224 ( -19.256 16.466 5.296) 25.883 4.224 ( 19.256 16.466 5.296) 25.883 4.352 ( -10.014 11.560 -6.979) 16.811 4.352 ( 10.014 11.560 -6.979) 16.811 4.721 ( -7.778 8.199 -4.877) 12.309 4.721 ( 7.778 8.199 -4.877) 12.309 5.008 ( -3.689 -8.768 1.152) 9.582 5.008 ( 3.689 -8.768 1.152) 9.582 5.466 ( -13.751 -6.756 -1.246) 15.371 5.466 ( 13.751 -6.756 -1.246) 15.371 5.760 ( -4.769 -11.234 -3.334) 12.651 5.760 ( 4.769 -11.234 -3.334) 12.651 6.474 ( -4.778 -16.992 4.171) 18.137 6.474 ( 4.778 -16.992 4.171) 18.137 7.585 ( -4.646 -6.469 12.213) 14.581 7.585 ( 4.646 -6.469 12.213) 14.581 8.237 ( -3.419 -8.758 11.495) 14.850 8.237 ( 3.419 -8.758 11.495) 14.850 8.785 ( -9.665 14.856 1.565) 17.792 8.785 ( 9.665 14.856 1.565) 17.792 9.368 ( -9.100 14.513 10.243) 19.959 9.368 ( 9.100 14.513 10.243) 19.959 9.523 ( -4.450 7.497 -1.159) 8.795 9.523 ( 4.450 7.497 -1.159) 8.795 9.984 ( -5.323 -1.027 -0.137) 5.423 9.984 ( 5.323 -1.027 -0.137) 5.423 10.499 ( -3.788 8.018 8.716) 12.435 10.499 ( 3.788 8.018 8.716) 12.435 11.123 ( -12.326 -8.682 5.513) 16.053 11.123 ( 12.326 -8.682 5.513) 16.053 11.564 ( -8.868 -20.658 4.363) 22.901 11.564 ( 8.868 -20.658 4.363) 22.901 12.654 ( -14.522 7.704 4.318) 16.997 12.654 ( 14.522 7.704 4.318) 16.997 13.467 ( -2.034 4.429 -0.816) 4.941 13.467 ( 2.034 4.429 -0.816) 4.941 22.052 ( -13.015 0.611 0.228) 13.031 22.052 ( 13.015 0.611 0.228) 13.031 22.603 ( -1.414 -5.183 5.705) 7.837 22.603 ( 1.414 -5.183 5.705) 7.837 23.396 ( -15.607 8.809 -0.608) 17.932 23.396 ( 15.607 8.809 -0.608) 17.932 24.706 ( -10.330 15.142 -14.895) 23.618 24.706 ( 10.330 15.142 -14.895) 23.618 25.675 ( -2.497 3.789 4.224) 6.199 25.675 ( 2.497 3.789 4.224) 6.199 26.029 ( -18.398 -0.376 -1.230) 18.443 26.029 ( 18.398 -0.376 -1.230) 18.443 27.114 ( -15.005 -0.600 -11.551) 18.946 27.114 ( 15.005 -0.600 -11.551) 18.946 27.416 ( -3.066 -0.598 0.716) 3.205 27.416 ( 3.066 -0.598 0.716) 3.205 27.898 ( -4.326 -0.315 2.248) 4.885 27.898 ( 4.326 -0.315 2.248) 4.885 28.256 ( -10.677 -2.518 -6.150) 12.576 28.256 ( 10.677 -2.518 -6.150) 12.576 28.589 ( -8.635 -11.698 -1.431) 14.610 28.589 ( 8.635 -11.698 -1.431) 14.610 30.123 ( -5.515 -4.022 11.887) 13.708 30.123 ( 5.515 -4.022 11.887) 13.708 ======================= Grid point 125 (30/50) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.000 -0.000 7.749) 7.749 2.440 ( 0.000 0.000 7.749) 7.749 2.680 ( 0.000 0.000 4.743) 4.743 2.680 ( 0.000 0.000 4.743) 4.743 2.827 ( -0.000 -0.000 15.165) 15.165 2.827 ( 0.000 0.000 15.165) 15.165 2.933 ( 0.000 0.000 12.213) 12.213 2.933 ( 0.000 0.000 12.213) 12.213 3.446 ( -0.000 -0.000 -10.062) 10.062 3.446 ( 0.000 0.000 -10.062) 10.062 3.493 ( -0.000 -0.000 -11.524) 11.524 3.493 ( 0.000 0.000 -11.524) 11.524 4.472 ( -0.000 -0.000 -7.089) 7.089 4.472 ( 0.000 0.000 -7.089) 7.089 4.537 ( -0.000 -0.000 4.993) 4.993 4.537 ( 0.000 0.000 4.993) 4.993 4.788 ( -0.000 -0.000 -10.630) 10.630 4.788 ( 0.000 0.000 -10.630) 10.630 4.815 ( 0.000 0.000 5.843) 5.843 4.815 ( 0.000 0.000 5.843) 5.843 5.466 ( -0.000 -0.000 1.324) 1.324 5.466 ( 0.000 0.000 1.324) 1.324 5.562 ( -0.000 -0.000 -4.144) 4.144 5.562 ( -0.000 -0.000 -4.144) 4.144 6.287 ( 0.000 0.000 3.470) 3.470 6.287 ( 0.000 0.000 3.470) 3.470 7.514 ( 0.000 0.000 14.914) 14.914 7.514 ( 0.000 0.000 14.914) 14.914 8.138 ( 0.000 0.000 12.279) 12.279 8.138 ( 0.000 0.000 12.279) 12.279 8.943 ( 0.000 0.000 -0.204) 0.204 8.943 ( 0.000 0.000 -0.204) 0.204 9.574 ( 0.000 0.000 -3.126) 3.126 9.574 ( 0.000 0.000 -3.126) 3.126 9.610 ( -0.000 -0.000 16.202) 16.202 9.610 ( 0.000 0.000 16.202) 16.202 9.944 ( 0.000 0.000 -0.768) 0.768 9.944 ( 0.000 0.000 -0.768) 0.768 10.613 ( 0.000 0.000 8.965) 8.965 10.613 ( 0.000 0.000 8.965) 8.965 11.009 ( 0.000 0.000 2.867) 2.867 11.009 ( 0.000 0.000 2.867) 2.867 11.312 ( -0.000 -0.000 5.036) 5.036 11.312 ( 0.000 0.000 5.036) 5.036 12.745 ( 0.000 0.000 3.570) 3.570 12.745 ( 0.000 0.000 3.570) 3.570 13.507 ( 0.000 0.000 -1.406) 1.406 13.507 ( 0.000 0.000 -1.406) 1.406 22.061 ( 0.000 0.000 0.383) 0.383 22.061 ( 0.000 0.000 0.383) 0.383 22.536 ( 0.000 0.000 6.730) 6.730 22.536 ( 0.000 0.000 6.730) 6.730 23.506 ( 0.000 0.000 -0.023) 0.023 23.506 ( 0.000 0.000 -0.023) 0.023 24.879 ( 0.000 0.000 -16.631) 16.631 24.879 ( 0.000 0.000 -16.631) 16.631 25.725 ( 0.000 0.000 4.198) 4.198 25.725 ( 0.000 0.000 4.198) 4.198 26.016 ( -0.000 -0.000 1.878) 1.878 26.016 ( 0.000 0.000 1.878) 1.878 27.119 ( 0.000 0.000 -12.023) 12.023 27.119 ( 0.000 0.000 -12.023) 12.023 27.412 ( -0.000 -0.000 1.055) 1.055 27.412 ( 0.000 0.000 1.055) 1.055 27.886 ( 0.000 0.000 2.019) 2.019 27.886 ( 0.000 0.000 2.019) 2.019 28.213 ( -0.000 -0.000 -15.932) 15.932 28.213 ( 0.000 0.000 -15.932) 15.932 28.460 ( 0.000 0.000 7.514) 7.514 28.460 ( 0.000 0.000 7.514) 7.514 30.076 ( 0.000 0.000 10.326) 10.326 30.076 ( 0.000 0.000 10.326) 10.326 ======================= Grid point 147 (31/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 0.000 26.285) 26.285 1.783 ( -0.000 -0.000 26.285) 26.285 2.676 ( 0.000 0.000 -0.816) 0.816 2.787 ( 0.000 0.000 28.322) 28.322 2.819 ( 0.000 0.000 -0.372) 0.372 2.827 ( 0.000 0.000 -6.369) 6.369 2.827 ( 0.000 0.000 -6.369) 6.369 2.919 ( 0.000 0.000 -7.516) 7.516 2.919 ( 0.000 0.000 -7.516) 7.516 2.996 ( -0.000 -0.000 -17.046) 17.046 3.358 ( -0.000 0.000 2.233) 2.233 3.419 ( 0.000 0.000 -13.633) 13.633 3.419 ( 0.000 0.000 -13.633) 13.633 3.816 ( 0.000 0.000 0.738) 0.738 4.080 ( 0.000 0.000 0.825) 0.825 4.351 ( 0.000 0.000 15.481) 15.481 4.351 ( 0.000 0.000 15.481) 15.481 4.914 ( 0.000 0.000 -14.342) 14.342 5.254 ( 0.000 0.000 -0.436) 0.436 5.254 ( -0.000 0.000 -0.436) 0.436 5.463 ( -0.000 0.000 6.563) 6.563 6.117 ( -0.000 0.000 -8.342) 8.342 6.117 ( 0.000 0.000 -8.342) 8.342 6.216 ( -0.000 -0.000 -3.074) 3.074 6.981 ( 0.000 0.000 2.644) 2.644 7.693 ( -0.000 0.000 0.687) 0.687 7.693 ( 0.000 0.000 0.687) 0.687 8.156 ( -0.000 -0.000 6.551) 6.551 8.499 ( 0.000 0.000 4.446) 4.446 8.623 ( 0.000 0.000 -1.539) 1.539 8.765 ( 0.000 0.000 5.836) 5.836 8.765 ( -0.000 -0.000 5.836) 5.836 8.943 ( 0.000 0.000 6.395) 6.395 8.985 ( -0.000 0.000 -2.350) 2.350 8.985 ( -0.000 0.000 -2.350) 2.350 9.288 ( 0.000 0.000 2.360) 2.360 9.288 ( 0.000 0.000 2.360) 2.360 9.757 ( 0.000 0.000 2.069) 2.069 9.880 ( -0.000 -0.000 0.710) 0.710 9.880 ( 0.000 0.000 0.710) 0.710 10.874 ( 0.000 0.000 20.726) 20.726 11.474 ( -0.000 -0.000 11.166) 11.166 12.224 ( 0.000 0.000 -6.695) 6.695 12.560 ( 0.000 0.000 1.547) 1.547 12.560 ( 0.000 0.000 1.547) 1.547 12.967 ( 0.000 0.000 1.351) 1.351 13.339 ( -0.000 -0.000 7.372) 7.372 14.178 ( 0.000 0.000 -1.626) 1.626 21.221 ( -0.000 -0.000 -4.266) 4.266 21.789 ( 0.000 0.000 -2.569) 2.569 22.551 ( 0.000 -0.000 3.441) 3.441 22.551 ( 0.000 0.000 3.441) 3.441 23.250 ( 0.000 0.000 -1.889) 1.889 23.250 ( 0.000 0.000 -1.889) 1.889 24.125 ( 0.000 0.000 -0.462) 0.462 24.125 ( 0.000 0.000 -0.462) 0.462 24.184 ( 0.000 0.000 -2.428) 2.428 25.119 ( 0.000 0.000 0.656) 0.656 25.596 ( 0.000 0.000 5.508) 5.508 26.493 ( 0.000 0.000 0.498) 0.498 27.048 ( 0.000 0.000 2.745) 2.745 27.251 ( 0.000 0.000 -1.928) 1.928 27.365 ( 0.000 0.000 3.388) 3.388 27.365 ( 0.000 0.000 3.388) 3.388 28.141 ( -0.000 -0.000 2.015) 2.015 28.427 ( 0.000 0.000 -3.024) 3.024 28.427 ( -0.000 -0.000 -3.024) 3.024 28.626 ( -0.000 -0.000 -0.696) 0.696 28.626 ( 0.000 0.000 -0.696) 0.696 29.583 ( -0.000 -0.000 -4.118) 4.118 29.840 ( 0.000 0.000 -2.746) 2.746 31.597 ( 0.000 0.000 2.767) 2.767 ======================= Grid point 148 (32/50) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 5.578 0.000 24.077) 24.715 1.920 ( 10.283 0.000 24.904) 26.943 2.616 ( -7.495 0.000 2.419) 7.876 2.690 ( -10.194 0.000 -3.004) 10.627 2.771 ( 4.702 0.000 7.924) 9.214 2.823 ( 5.594 0.000 -1.908) 5.910 2.916 ( 6.180 0.000 -7.983) 10.096 3.046 ( 8.977 0.000 -4.294) 9.951 3.145 ( 11.965 0.000 -4.537) 12.796 3.188 ( 18.433 0.000 -2.183) 18.562 3.403 ( 5.801 0.000 0.658) 5.838 3.425 ( 0.855 0.000 -13.211) 13.239 3.549 ( 9.568 0.000 -12.737) 15.931 3.747 ( -5.515 0.000 0.600) 5.548 3.942 ( -9.447 0.000 1.085) 9.509 4.333 ( -2.385 0.000 13.414) 13.624 4.425 ( 3.593 0.000 13.689) 14.152 4.892 ( -2.868 0.000 -9.913) 10.319 5.159 ( -7.926 0.000 -1.285) 8.029 5.303 ( 4.620 0.000 -0.548) 4.652 5.432 ( -3.131 0.000 4.461) 5.450 6.050 ( -6.218 0.000 -7.717) 9.910 6.068 ( -4.419 0.000 -6.754) 8.071 6.160 ( -4.853 0.000 -4.118) 6.365 7.100 ( 10.603 0.000 2.460) 10.885 7.595 ( -7.423 0.000 1.649) 7.604 7.702 ( 0.710 0.000 0.823) 1.087 8.154 ( -1.081 0.000 9.590) 9.651 8.334 ( -21.739 0.000 4.059) 22.115 8.583 ( -1.728 0.000 0.401) 1.774 8.618 ( -2.921 0.000 -0.622) 2.986 8.852 ( 3.858 0.000 2.986) 4.878 8.921 ( -3.583 0.000 -0.586) 3.631 8.923 ( 12.928 0.000 3.941) 13.515 9.061 ( 2.768 0.000 3.246) 4.266 9.236 ( -4.478 0.000 2.408) 5.085 9.789 ( 28.726 0.000 6.705) 29.499 9.841 ( 6.429 0.000 1.697) 6.649 9.883 ( 0.901 0.000 0.523) 1.041 9.979 ( 11.488 0.000 2.475) 11.751 11.143 ( 20.105 0.000 14.997) 25.082 11.434 ( -2.135 0.000 10.215) 10.435 12.009 ( -13.954 0.000 -0.003) 13.954 12.524 ( -2.955 0.000 1.482) 3.306 12.683 ( 6.628 0.000 -4.114) 7.801 12.888 ( -7.204 0.000 1.286) 7.318 13.311 ( -3.169 0.000 6.929) 7.619 13.958 ( -19.424 0.000 1.614) 19.491 21.321 ( 9.545 0.000 -3.558) 10.187 21.954 ( 14.849 0.000 -2.413) 15.044 22.572 ( 1.931 0.000 2.941) 3.519 22.659 ( 2.777 0.000 -2.941) 4.045 23.217 ( -2.710 0.000 -1.132) 2.937 23.293 ( 7.351 0.000 0.912) 7.407 24.023 ( -9.794 0.000 -0.285) 9.798 24.030 ( 0.852 0.000 -5.871) 5.933 24.521 ( 22.738 0.000 -1.307) 22.776 25.201 ( 7.676 0.000 0.684) 7.706 25.637 ( 3.326 0.000 5.065) 6.059 26.493 ( 1.190 0.000 1.077) 1.605 27.053 ( -7.212 0.000 0.929) 7.272 27.135 ( -3.088 0.000 0.030) 3.088 27.430 ( 6.135 0.000 3.291) 6.962 27.444 ( 5.870 0.000 3.637) 6.905 28.097 ( -5.080 0.000 1.752) 5.374 28.322 ( -13.701 0.000 -7.640) 15.687 28.372 ( -6.158 0.000 -1.282) 6.290 28.502 ( -4.100 0.000 0.288) 4.110 28.602 ( -0.733 0.000 -2.390) 2.500 29.471 ( -10.298 0.000 -4.243) 11.138 29.955 ( 9.022 0.000 -0.181) 9.023 31.395 ( -17.891 0.000 5.968) 18.861 ======================= Grid point 149 (33/50) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 9.257 0.000 18.829) 20.981 2.114 ( 8.031 0.000 22.545) 23.933 2.427 ( -9.963 0.000 7.054) 12.208 2.473 ( -10.083 0.000 6.141) 11.806 2.972 ( 7.706 0.000 -2.995) 8.267 2.973 ( 12.369 0.000 -0.837) 12.397 3.041 ( 4.850 0.000 -7.416) 8.861 3.208 ( 4.599 0.000 -4.228) 6.247 3.358 ( 4.119 0.000 -14.817) 15.379 3.430 ( -3.618 0.000 -5.709) 6.759 3.498 ( 6.212 0.000 -8.956) 10.899 3.648 ( 16.752 0.000 7.836) 18.494 3.709 ( 6.945 0.000 -2.511) 7.385 3.791 ( 9.350 0.000 -0.955) 9.399 3.836 ( 9.884 0.000 -3.125) 10.366 4.223 ( -8.633 0.000 8.636) 12.211 4.422 ( -4.860 0.000 11.895) 12.849 4.691 ( -17.805 0.000 4.941) 18.478 5.063 ( 1.137 0.000 -7.478) 7.564 5.328 ( -6.878 0.000 0.472) 6.895 5.443 ( 8.628 0.000 -1.342) 8.732 5.874 ( -10.162 0.000 -5.937) 11.769 5.967 ( -3.902 0.000 -4.504) 5.959 6.042 ( -5.790 0.000 -5.050) 7.683 7.371 ( 13.798 0.000 2.126) 13.961 7.475 ( -2.390 0.000 2.669) 3.583 7.704 ( -1.299 0.000 1.242) 1.797 7.830 ( -18.941 0.000 6.789) 20.121 8.239 ( 3.837 0.000 7.887) 8.771 8.503 ( -7.701 0.000 3.271) 8.367 8.580 ( 1.466 0.000 0.923) 1.732 8.760 ( -6.575 0.000 -0.427) 6.589 8.979 ( 3.313 0.000 3.387) 4.738 9.126 ( -5.387 0.000 2.390) 5.894 9.163 ( 9.602 0.000 6.422) 11.551 9.245 ( 10.581 0.000 3.877) 11.268 9.922 ( 3.647 0.000 0.494) 3.680 9.974 ( 4.283 0.000 1.259) 4.465 10.204 ( 14.701 0.000 7.630) 16.563 10.360 ( 15.852 0.000 3.733) 16.286 11.275 ( -1.611 0.000 8.701) 8.849 11.518 ( -3.910 0.000 -0.191) 3.914 11.972 ( 19.941 0.000 13.076) 23.846 12.473 ( -0.854 0.000 1.304) 1.559 12.699 ( -9.912 0.000 1.168) 9.980 12.767 ( 0.429 0.000 -4.222) 4.243 13.180 ( -9.160 0.000 5.352) 10.609 13.484 ( -22.394 0.000 3.888) 22.729 21.611 ( 17.886 0.000 -1.902) 17.987 22.332 ( 18.644 0.000 -1.750) 18.726 22.471 ( -17.930 0.000 -1.656) 18.006 22.620 ( 2.043 0.000 1.424) 2.490 23.180 ( 0.978 0.000 0.440) 1.073 23.597 ( 17.815 0.000 -4.477) 18.369 23.729 ( -17.663 0.000 -0.046) 17.664 24.067 ( -1.058 0.000 -8.618) 8.683 25.142 ( 36.154 0.000 -3.930) 36.367 25.412 ( 11.467 0.000 1.219) 11.532 25.690 ( 0.526 0.000 3.949) 3.984 26.512 ( -12.440 0.000 2.045) 12.607 26.750 ( -1.881 0.000 -5.003) 5.345 27.225 ( 5.417 0.000 2.689) 6.047 27.505 ( -2.431 0.000 4.126) 4.789 27.610 ( 10.846 0.000 2.937) 11.236 27.783 ( -21.098 0.000 -5.326) 21.760 28.161 ( -13.142 0.000 0.999) 13.180 28.181 ( 2.275 0.000 -4.171) 4.751 28.434 ( -4.511 0.000 -0.570) 4.547 28.655 ( 6.271 0.000 -4.378) 7.648 29.187 ( -15.819 0.000 -4.553) 16.462 30.174 ( 12.304 0.000 4.240) 13.014 30.942 ( -23.274 0.000 9.589) 25.172 ======================= Grid point 150 (34/50) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -10.477 0.000 12.709) 16.471 2.212 ( 10.477 0.000 12.709) 16.471 2.280 ( -8.401 0.000 16.011) 18.081 2.280 ( 8.401 0.000 16.011) 18.081 3.087 ( -1.591 0.000 -5.426) 5.654 3.087 ( 1.591 0.000 -5.426) 5.654 3.226 ( -11.268 0.000 -4.742) 12.225 3.226 ( 11.268 0.000 -4.742) 12.225 3.295 ( -6.191 0.000 -4.174) 7.467 3.295 ( 6.191 0.000 -4.174) 7.467 3.667 ( -6.483 0.000 -17.506) 18.668 3.667 ( 6.483 0.000 -17.506) 18.668 3.976 ( -14.336 0.000 2.351) 14.527 3.976 ( 14.336 0.000 2.351) 14.527 4.152 ( -5.949 0.000 6.284) 8.653 4.152 ( 5.949 0.000 6.284) 8.653 4.264 ( -10.352 0.000 12.452) 16.193 4.264 ( 10.352 0.000 12.452) 16.193 5.166 ( -7.551 0.000 -3.885) 8.492 5.166 ( 7.551 0.000 -3.885) 8.492 5.650 ( -10.806 0.000 -3.405) 11.330 5.650 ( 10.806 0.000 -3.405) 11.330 5.949 ( -2.306 0.000 -4.381) 4.951 5.949 ( 2.306 0.000 -4.381) 4.951 7.537 ( -8.651 0.000 4.318) 9.669 7.537 ( 8.651 0.000 4.318) 9.669 7.611 ( -8.213 0.000 1.744) 8.396 7.611 ( 8.213 0.000 1.744) 8.396 8.349 ( -6.522 0.000 7.947) 10.281 8.349 ( 6.522 0.000 7.947) 10.281 8.642 ( -4.440 0.000 0.541) 4.473 8.642 ( 4.440 0.000 0.541) 4.473 9.035 ( -3.069 0.000 2.708) 4.093 9.035 ( 3.069 0.000 2.708) 4.093 9.323 ( -3.558 0.000 6.307) 7.241 9.323 ( 3.558 0.000 6.307) 7.241 9.996 ( -2.169 0.000 0.892) 2.345 9.996 ( 2.169 0.000 0.892) 2.345 10.442 ( -6.532 0.000 5.541) 8.565 10.442 ( 6.532 0.000 5.541) 8.565 11.348 ( -8.141 0.000 3.472) 8.850 11.348 ( 8.141 0.000 3.472) 8.850 12.510 ( -24.881 0.000 9.197) 26.527 12.510 ( 24.881 0.000 9.197) 26.527 12.523 ( -5.886 0.000 1.152) 5.997 12.523 ( 5.886 0.000 1.152) 5.997 13.147 ( -9.231 0.000 -0.181) 9.233 13.147 ( 9.231 0.000 -0.181) 9.233 22.037 ( -21.911 0.000 -0.643) 21.920 22.037 ( 21.911 0.000 -0.643) 21.920 22.601 ( -5.783 0.000 -0.236) 5.787 22.601 ( 5.783 0.000 -0.236) 5.787 23.352 ( -15.804 0.000 0.471) 15.811 23.352 ( 15.804 0.000 0.471) 15.811 23.924 ( -12.259 0.000 -7.554) 14.399 23.924 ( 12.259 0.000 -7.554) 14.399 25.621 ( -7.324 0.000 2.481) 7.732 25.621 ( 7.324 0.000 2.481) 7.732 25.918 ( -35.556 0.000 -3.549) 35.732 25.918 ( 35.556 0.000 -3.549) 35.732 27.067 ( -20.899 0.000 -3.851) 21.251 27.067 ( 20.899 0.000 -3.851) 21.251 27.496 ( -7.402 0.000 1.727) 7.600 27.496 ( 7.402 0.000 1.727) 7.600 27.871 ( -13.806 0.000 2.185) 13.978 27.871 ( 13.806 0.000 2.185) 13.978 28.302 ( -7.422 0.000 -2.074) 7.706 28.302 ( 7.422 0.000 -2.074) 7.706 28.866 ( -13.665 0.000 -4.777) 14.475 28.866 ( 13.665 0.000 -4.777) 14.475 30.494 ( -18.719 0.000 8.401) 20.518 30.494 ( 18.719 0.000 8.401) 20.518 ======================= Grid point 155 (35/50) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 5.726 5.726 22.237) 23.665 1.994 ( 9.560 9.560 23.587) 27.187 2.667 ( -1.021 -1.021 0.974) 1.742 2.722 ( 2.989 2.989 4.566) 6.222 2.823 ( 3.011 3.011 -1.553) 4.532 2.832 ( -0.417 -0.417 -5.663) 5.693 2.921 ( 4.633 4.633 2.649) 7.067 2.984 ( 3.502 3.502 -5.711) 7.559 3.303 ( 10.638 10.638 -16.745) 22.510 3.337 ( 9.002 9.002 2.330) 12.942 3.372 ( 3.851 3.851 3.673) 6.569 3.517 ( 2.804 2.804 -2.936) 4.935 3.662 ( 10.839 10.839 -14.560) 21.142 3.693 ( -4.109 -4.109 0.035) 5.811 3.886 ( -3.718 -3.718 -3.261) 6.187 4.213 ( -6.543 -6.543 15.828) 18.335 4.548 ( 5.473 5.473 10.730) 13.231 4.897 ( -0.105 -0.105 -8.655) 8.656 5.116 ( -5.847 -5.847 0.456) 8.281 5.283 ( 0.893 0.893 -1.018) 1.622 5.391 ( -3.915 -3.915 3.273) 6.432 5.988 ( -5.799 -5.799 -7.507) 11.118 6.003 ( -5.716 -5.716 -5.351) 9.694 6.109 ( -4.606 -4.606 -4.809) 8.097 7.172 ( 5.522 5.522 2.807) 8.299 7.220 ( -16.284 -16.284 2.257) 23.140 7.993 ( -17.665 -17.665 7.800) 26.172 8.138 ( 18.783 18.783 0.525) 26.569 8.185 ( -1.992 -1.992 6.426) 7.016 8.342 ( -8.295 -8.295 0.062) 11.732 8.818 ( -1.664 -1.664 4.700) 5.256 8.840 ( -1.774 -1.774 3.103) 3.990 8.895 ( 4.056 4.056 0.287) 5.743 8.999 ( 4.845 4.845 1.298) 6.974 9.088 ( 6.798 6.798 1.415) 9.717 9.378 ( 4.777 4.777 2.944) 7.369 9.840 ( 2.821 2.821 6.708) 7.805 9.918 ( 5.960 5.960 2.166) 8.702 10.009 ( 15.588 15.588 3.317) 22.293 10.050 ( 7.880 7.880 2.159) 11.351 11.386 ( -3.534 -3.534 9.859) 11.054 11.416 ( 21.783 21.783 12.378) 33.200 11.923 ( -8.500 -8.500 0.215) 12.023 12.241 ( -14.190 -14.190 0.525) 20.074 12.768 ( -9.364 -9.364 2.294) 13.440 12.883 ( 6.424 6.424 -3.036) 9.579 13.306 ( -0.782 -0.782 5.738) 5.843 13.808 ( -13.117 -13.117 2.282) 18.691 21.404 ( 8.077 8.077 -2.959) 11.800 22.120 ( 14.918 14.918 -2.188) 21.211 22.555 ( -1.030 -1.030 2.163) 2.608 22.764 ( 3.449 3.449 -4.664) 6.748 23.089 ( -6.878 -6.878 4.224) 10.604 23.449 ( 12.193 12.193 -2.660) 17.447 23.770 ( -7.484 -7.484 -5.555) 11.953 24.438 ( 3.860 3.860 -3.488) 6.478 24.516 ( 18.529 18.529 -2.555) 26.328 25.279 ( 7.227 7.227 0.901) 10.260 25.677 ( 3.212 3.212 4.808) 6.614 26.486 ( 0.259 0.259 1.570) 1.612 26.982 ( -11.177 -11.177 -2.399) 15.987 27.117 ( 3.035 3.035 3.249) 5.383 27.427 ( 2.183 2.183 2.688) 4.093 27.578 ( 8.660 8.660 4.456) 13.033 28.050 ( -5.366 -5.366 1.605) 7.757 28.233 ( -9.199 -9.199 -5.219) 14.017 28.330 ( -9.787 -9.787 -2.338) 14.036 28.414 ( -1.546 -1.546 -7.202) 7.527 28.546 ( -1.738 -1.738 1.454) 2.856 29.355 ( -10.717 -10.717 -4.385) 15.777 30.028 ( 5.806 5.806 1.158) 8.293 31.219 ( -15.600 -15.600 7.867) 23.423 ======================= Grid point 156 (36/50) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 8.098 5.503 17.715) 20.241 2.214 ( 9.552 11.244 20.893) 25.577 2.533 ( -9.220 5.576 5.900) 12.284 2.613 ( -9.052 15.774 7.175) 19.551 2.910 ( 10.088 -4.899 1.455) 11.308 3.006 ( 7.355 1.367 -5.607) 9.349 3.059 ( 5.751 2.421 -8.188) 10.295 3.175 ( 9.690 -4.261 -1.277) 10.663 3.384 ( 0.785 -1.775 -6.297) 6.590 3.388 ( -6.300 -3.127 -4.238) 8.211 3.536 ( 6.154 5.272 -10.302) 13.107 3.602 ( 3.703 -2.576 -2.213) 5.024 3.778 ( 17.362 11.183 11.333) 23.557 3.844 ( 4.201 6.496 -8.896) 11.789 4.007 ( 17.815 9.812 -8.682) 22.114 4.051 ( -9.403 -9.970 13.539) 19.264 4.577 ( -3.828 7.525 8.249) 11.803 4.753 ( -16.333 6.448 2.282) 17.708 5.029 ( 1.629 -3.278 -5.715) 6.787 5.275 ( -6.916 -4.819 0.709) 8.459 5.384 ( 7.930 -5.027 -0.541) 9.405 5.810 ( -10.452 -5.684 -5.390) 13.061 5.887 ( -4.143 -7.384 -4.573) 9.623 5.986 ( -6.520 -5.162 -4.953) 9.679 6.993 ( -4.902 -24.689 2.211) 25.268 7.199 ( -6.160 -16.747 3.616) 18.207 7.745 ( -1.226 -2.544 5.510) 6.192 8.038 ( -9.035 3.784 5.159) 11.071 8.306 ( 6.331 5.198 6.451) 10.427 8.500 ( 8.155 14.630 3.416) 17.094 8.680 ( -7.922 2.465 5.433) 9.917 8.724 ( -6.493 -4.234 3.717) 8.597 9.004 ( 8.790 1.029 2.630) 9.233 9.207 ( 8.818 5.663 1.764) 10.628 9.274 ( 8.631 3.376 0.630) 9.289 9.360 ( -4.300 17.239 3.057) 18.028 9.896 ( 3.357 -0.567 2.673) 4.328 10.022 ( 2.565 4.057 2.464) 5.396 10.281 ( 13.679 6.364 5.606) 16.095 10.408 ( 15.202 5.081 4.858) 16.749 11.296 ( -2.501 -0.221 9.395) 9.725 11.597 ( -13.161 4.188 0.637) 13.826 11.946 ( 11.985 -6.578 8.287) 15.987 12.155 ( 13.383 -12.309 1.741) 18.266 12.481 ( -16.590 -18.114 3.883) 24.868 12.909 ( -5.632 4.845 0.919) 7.486 13.270 ( -1.886 6.643 1.196) 7.008 13.500 ( -13.912 0.409 1.267) 13.975 21.656 ( 15.828 4.492 -1.516) 16.522 22.415 ( -9.595 -1.237 0.101) 9.675 22.508 ( 12.729 12.021 -1.727) 17.593 22.712 ( -1.983 5.382 1.509) 5.931 23.048 ( 3.090 -9.150 3.924) 10.424 23.602 ( -11.633 -4.537 -3.635) 13.005 23.782 ( 17.781 14.685 -7.769) 24.334 24.333 ( -7.218 16.280 -7.635) 19.376 25.177 ( 36.591 5.519 -4.207) 37.244 25.476 ( 10.742 5.593 1.498) 12.203 25.729 ( 0.650 3.214 3.944) 5.129 26.475 ( -11.222 -3.401 2.316) 11.953 26.724 ( -1.396 -2.448 -5.179) 5.896 27.213 ( 3.983 -0.294 2.777) 4.865 27.474 ( 0.044 -1.151 2.650) 2.890 27.687 ( -13.231 0.298 -2.063) 13.394 27.781 ( -1.721 3.964 2.040) 4.779 28.079 ( -3.359 -4.630 -0.213) 5.724 28.225 ( -3.466 -6.417 -3.135) 7.938 28.321 ( -3.234 -2.937 -4.172) 6.040 28.587 ( 4.278 -5.098 -2.054) 6.965 29.061 ( -16.133 -11.438 -4.811) 20.353 30.177 ( 9.047 0.180 4.152) 9.956 30.822 ( -20.470 -10.729 9.668) 25.052 ======================= Grid point 157 (37/50) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -8.024 5.509 12.558) 15.889 2.273 ( 8.024 5.509 12.558) 15.889 2.446 ( -6.217 14.787 14.883) 21.882 2.446 ( 6.217 14.787 14.883) 21.882 3.088 ( -3.537 -0.808 -4.333) 5.652 3.088 ( 3.537 -0.808 -4.333) 5.652 3.171 ( -8.178 -3.974 -4.486) 10.138 3.171 ( 8.178 -3.974 -4.486) 10.138 3.318 ( -4.483 0.476 -5.004) 6.735 3.318 ( 4.483 0.476 -5.004) 6.735 3.729 ( -6.132 -0.497 -7.594) 9.774 3.729 ( 6.132 -0.497 -7.594) 9.774 3.815 ( -5.606 -1.249 -0.783) 5.797 3.815 ( 5.606 -1.249 -0.783) 5.797 4.271 ( -19.939 6.314 11.233) 23.740 4.271 ( 19.939 6.314 11.233) 23.740 4.407 ( -13.043 11.207 -0.636) 17.208 4.407 ( 13.043 11.207 -0.636) 17.208 5.126 ( -6.635 -3.548 -2.551) 7.944 5.126 ( 6.635 -3.548 -2.551) 7.944 5.584 ( -10.726 -6.046 -2.640) 12.593 5.584 ( 10.726 -6.046 -2.640) 12.593 5.874 ( -3.096 -6.865 -4.397) 8.720 5.874 ( 3.096 -6.865 -4.397) 8.720 7.020 ( -6.901 -27.012 2.787) 28.018 7.020 ( 6.901 -27.012 2.787) 28.018 7.856 ( -8.274 2.940 6.177) 10.736 7.856 ( 8.274 2.940 6.177) 10.736 8.472 ( -8.377 11.000 6.114) 15.118 8.472 ( 8.377 11.000 6.114) 15.118 8.623 ( -2.875 -1.716 4.425) 5.549 8.623 ( 2.875 -1.716 4.425) 5.549 9.205 ( -8.444 14.623 4.185) 17.397 9.205 ( 8.444 14.623 4.185) 17.397 9.349 ( -1.968 3.504 1.393) 4.253 9.349 ( 1.968 3.504 1.393) 4.253 9.993 ( -4.711 0.304 1.343) 4.908 9.993 ( 4.711 0.304 1.343) 4.908 10.505 ( -5.394 5.444 5.934) 9.693 10.505 ( 5.394 5.444 5.934) 9.693 11.355 ( -8.111 -0.741 5.068) 9.593 11.355 ( 8.111 -0.741 5.068) 9.593 12.145 ( -13.478 -24.668 3.335) 28.306 12.145 ( 13.478 -24.668 3.335) 28.306 12.615 ( -21.321 4.853 6.105) 22.702 12.615 ( 21.321 4.853 6.105) 22.702 13.296 ( -5.353 8.973 -1.549) 10.563 13.296 ( 5.353 8.973 -1.549) 10.563 22.040 ( -20.019 0.432 -0.312) 20.026 22.040 ( 20.019 0.432 -0.312) 20.026 22.697 ( -2.604 6.050 1.730) 6.810 22.697 ( 2.604 6.050 1.730) 6.810 23.277 ( -17.196 -2.169 -0.009) 17.333 23.277 ( 17.196 -2.169 -0.009) 17.333 24.120 ( -13.642 14.901 -9.275) 22.230 24.120 ( 13.642 14.901 -9.275) 22.230 25.662 ( -6.820 3.653 2.781) 8.222 25.662 ( 6.820 3.653 2.781) 8.222 25.944 ( -32.845 2.468 -2.885) 33.064 25.944 ( 32.845 2.468 -2.885) 33.064 27.018 ( -20.941 -4.123 -4.538) 21.820 27.018 ( 20.941 -4.123 -4.538) 21.820 27.468 ( -4.821 -1.940 1.621) 5.443 27.468 ( 4.821 -1.940 1.621) 5.444 27.924 ( -9.343 3.375 2.879) 10.343 27.924 ( 9.343 3.375 2.879) 10.343 28.260 ( -4.025 -3.849 -2.525) 6.115 28.260 ( 4.025 -3.849 -2.525) 6.115 28.749 ( -12.100 -9.868 -4.791) 16.332 28.749 ( 12.100 -9.868 -4.791) 16.332 30.433 ( -15.820 -5.443 7.824) 18.469 30.433 ( 15.820 -5.443 7.824) 18.470 ======================= Grid point 163 (38/50) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 8.466 8.466 14.742) 18.991 2.486 ( 10.711 10.711 16.478) 22.382 2.664 ( 3.478 3.478 7.958) 9.355 2.792 ( -0.471 -0.471 3.632) 3.693 2.962 ( 5.500 5.500 0.539) 7.797 3.025 ( 5.140 5.140 9.852) 12.244 3.097 ( 1.677 1.677 -3.739) 4.428 3.133 ( 2.954 2.954 -8.146) 9.154 3.237 ( -7.810 -7.810 -1.284) 11.119 3.358 ( -1.747 -1.747 -7.998) 8.371 3.459 ( -4.824 -4.824 -1.260) 6.938 3.765 ( -1.076 -1.076 2.515) 2.939 3.873 ( 2.746 2.746 -0.473) 3.912 4.032 ( 12.821 12.821 5.062) 18.825 4.131 ( 13.063 13.063 -1.920) 18.573 4.199 ( 12.971 12.971 -14.327) 23.276 4.660 ( -0.230 -0.230 5.198) 5.209 4.829 ( -7.433 -7.433 -3.900) 11.212 4.978 ( 3.430 3.430 -0.805) 4.917 5.144 ( -7.023 -7.023 2.405) 10.218 5.310 ( 0.641 0.641 0.894) 1.273 5.679 ( -8.146 -8.146 -6.348) 13.153 5.684 ( -8.306 -8.306 -2.078) 11.929 5.842 ( -8.149 -8.149 -4.438) 12.349 6.597 ( -11.900 -11.900 1.721) 16.917 6.797 ( -18.290 -18.290 2.893) 26.027 7.757 ( 2.855 2.855 9.860) 10.655 7.962 ( -5.993 -5.993 10.724) 13.669 8.413 ( 3.622 3.622 8.102) 9.586 8.554 ( -6.706 -6.706 7.697) 12.214 8.661 ( 2.083 2.083 4.014) 4.979 8.926 ( 0.148 0.148 0.116) 0.239 9.134 ( 23.771 23.771 6.071) 34.161 9.361 ( 6.770 6.770 -3.158) 10.082 9.376 ( 5.654 5.654 -1.490) 8.133 9.650 ( 7.463 7.463 4.372) 11.424 9.910 ( 1.702 1.702 3.159) 3.972 10.087 ( 0.587 0.587 4.387) 4.465 10.463 ( 10.659 10.659 4.761) 15.808 10.579 ( 9.631 9.631 6.637) 15.151 11.251 ( -2.796 -2.796 11.393) 12.059 11.510 ( -17.661 -17.661 0.776) 24.988 11.591 ( -7.365 -7.365 1.918) 10.590 12.040 ( -22.257 -22.257 5.561) 31.963 12.366 ( 19.527 19.527 4.949) 28.055 12.924 ( -3.568 -3.568 3.248) 6.001 13.378 ( 3.162 3.162 -2.198) 4.983 13.476 ( -2.439 -2.439 -1.954) 3.964 21.806 ( 9.881 9.881 -0.592) 13.987 22.307 ( -9.144 -9.144 0.261) 12.934 22.735 ( 2.552 2.552 4.845) 6.041 22.735 ( -2.375 -2.375 2.940) 4.464 23.037 ( 13.747 13.747 2.169) 19.562 23.560 ( -2.900 -2.900 -3.462) 5.367 24.125 ( 16.733 16.733 -11.563) 26.337 24.532 ( 1.275 1.275 -10.777) 10.927 25.483 ( 23.400 23.400 -2.940) 33.224 25.620 ( 7.626 7.626 2.192) 11.006 25.789 ( 1.649 1.649 3.466) 4.177 26.352 ( -10.105 -10.105 1.687) 14.390 26.699 ( 3.194 3.194 -5.310) 6.971 27.218 ( -1.875 -1.875 1.117) 2.878 27.452 ( -2.127 -2.127 1.172) 3.228 27.547 ( -10.795 -10.795 -2.800) 15.521 27.919 ( 5.303 5.303 5.303) 9.185 27.990 ( -5.034 -5.034 -5.172) 8.800 27.999 ( -2.952 -2.952 -0.587) 4.216 28.303 ( -4.893 -4.893 -7.793) 10.422 28.528 ( 0.677 0.677 2.913) 3.067 28.768 ( -14.264 -14.264 -5.038) 20.792 30.192 ( 2.066 2.066 4.456) 5.328 30.549 ( -13.915 -13.915 8.780) 21.548 ======================= Grid point 164 (39/50) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -10.016 9.262 10.241) 17.058 2.432 ( 10.016 9.262 10.241) 17.058 2.808 ( -9.424 17.202 13.721) 23.937 2.808 ( 9.424 17.202 13.721) 23.937 2.963 ( -9.775 -8.939 3.711) 13.756 2.963 ( 9.775 -8.939 3.711) 13.756 3.158 ( -1.531 1.638 -8.835) 9.115 3.158 ( 1.531 1.638 -8.835) 9.115 3.293 ( -4.360 -2.253 -7.247) 8.752 3.293 ( 4.360 -2.253 -7.247) 8.752 3.530 ( -12.620 -11.366 12.180) 20.900 3.530 ( 12.620 -11.366 12.180) 20.900 4.065 ( -7.231 15.672 -13.507) 21.917 4.065 ( 7.231 15.672 -13.507) 21.917 4.446 ( -16.890 10.243 6.903) 20.925 4.446 ( 16.890 10.243 6.903) 20.925 4.581 ( -15.098 3.276 -7.528) 17.186 4.581 ( 15.098 3.276 -7.528) 17.186 5.042 ( -2.387 -4.309 2.108) 5.358 5.042 ( 2.387 -4.309 2.108) 5.358 5.440 ( -10.378 -5.315 -1.486) 11.754 5.440 ( 10.378 -5.315 -1.486) 11.754 5.686 ( -5.297 -10.496 -3.864) 12.375 5.686 ( 5.297 -10.496 -3.864) 12.375 6.532 ( -5.685 -18.014 1.823) 18.977 6.532 ( 5.685 -18.014 1.823) 18.977 7.843 ( -5.146 -1.492 12.770) 13.848 7.843 ( 5.146 -1.492 12.770) 13.848 8.449 ( -2.483 -6.714 9.368) 11.790 8.449 ( 2.483 -6.714 9.368) 11.790 8.805 ( -8.479 11.205 0.415) 14.058 8.805 ( 8.479 11.205 0.415) 14.058 9.438 ( -0.210 5.326 -2.574) 5.919 9.438 ( 0.210 5.326 -2.574) 5.919 9.593 ( -13.600 19.347 7.351) 24.765 9.593 ( 13.600 19.347 7.351) 24.765 10.003 ( -6.969 -0.108 1.841) 7.209 10.003 ( 6.969 -0.108 1.841) 7.209 10.654 ( -4.752 8.244 6.434) 11.486 10.654 ( 4.752 8.244 6.434) 11.486 11.248 ( -4.305 -10.420 6.699) 13.114 11.248 ( 4.305 -10.420 6.699) 13.114 11.643 ( -12.845 -19.671 3.475) 23.749 11.643 ( 12.845 -19.671 3.475) 23.749 12.740 ( -14.255 6.120 4.029) 16.028 12.740 ( 14.255 6.120 4.029) 16.028 13.424 ( -2.108 3.196 -3.230) 5.009 13.424 ( 2.108 3.196 -3.230) 5.009 22.056 ( -13.338 0.947 0.165) 13.372 22.056 ( 13.338 0.947 0.165) 13.372 22.721 ( -1.227 -2.936 5.824) 6.637 22.721 ( 1.227 -2.936 5.824) 6.637 23.381 ( -14.381 9.554 -0.832) 17.285 23.381 ( 14.381 9.554 -0.832) 17.285 24.423 ( -10.721 12.143 -12.722) 20.597 24.423 ( 10.721 12.143 -12.722) 20.597 25.751 ( -4.096 4.119 3.295) 6.678 25.751 ( 4.096 4.119 3.295) 6.678 26.012 ( -21.938 3.527 -0.458) 22.224 26.012 ( 21.938 3.527 -0.458) 22.224 26.941 ( -18.689 -2.016 -5.978) 19.725 26.941 ( 18.689 -2.016 -5.978) 19.725 27.438 ( -2.733 -0.714 1.217) 3.076 27.438 ( 2.733 -0.714 1.217) 3.076 27.946 ( -0.759 -1.233 2.239) 2.666 27.946 ( 0.759 -1.233 2.239) 2.666 28.122 ( -10.533 -10.090 -5.643) 15.640 28.122 ( 10.533 -10.090 -5.643) 15.640 28.575 ( -4.073 -3.939 -1.012) 5.756 28.575 ( 4.073 -3.939 -1.012) 5.756 30.301 ( -8.854 -6.071 6.331) 12.464 30.301 ( 8.854 -6.071 6.331) 12.464 ======================= Grid point 174 (40/50) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -0.000 -0.000 7.782) 7.782 2.591 ( 0.000 0.000 7.782) 7.782 2.780 ( 0.000 0.000 5.445) 5.445 2.780 ( 0.000 0.000 5.445) 5.445 3.119 ( -0.000 -0.000 -2.044) 2.044 3.119 ( 0.000 0.000 -2.044) 2.044 3.151 ( 0.000 0.000 16.943) 16.943 3.151 ( 0.000 0.000 16.943) 16.943 3.267 ( -0.000 -0.000 -11.066) 11.066 3.267 ( 0.000 0.000 -11.066) 11.066 3.339 ( 0.000 0.000 7.614) 7.614 3.339 ( 0.000 0.000 7.614) 7.614 4.290 ( 0.000 0.000 -11.410) 11.410 4.290 ( 0.000 0.000 -11.410) 11.410 4.544 ( -0.000 -0.000 -13.612) 13.612 4.544 ( 0.000 0.000 -13.612) 13.612 4.630 ( -0.000 -0.000 4.298) 4.298 4.630 ( 0.000 0.000 4.298) 4.298 4.950 ( 0.000 0.000 7.742) 7.742 4.950 ( 0.000 0.000 7.742) 7.742 5.461 ( 0.000 0.000 -6.062) 6.062 5.461 ( 0.000 0.000 -6.062) 6.062 5.490 ( -0.000 -0.000 0.940) 0.940 5.490 ( 0.000 0.000 0.940) 0.940 6.333 ( 0.000 0.000 1.301) 1.301 6.333 ( 0.000 0.000 1.301) 1.301 7.828 ( 0.000 0.000 15.552) 15.552 7.828 ( 0.000 0.000 15.552) 15.552 8.366 ( 0.000 0.000 10.162) 10.162 8.366 ( 0.000 0.000 10.162) 10.162 8.927 ( 0.000 0.000 -1.395) 1.395 8.927 ( 0.000 0.000 -1.395) 1.395 9.498 ( 0.000 0.000 -4.325) 4.325 9.498 ( 0.000 0.000 -4.325) 4.325 9.902 ( -0.000 -0.000 12.399) 12.399 9.902 ( 0.000 0.000 12.399) 12.399 9.954 ( 0.000 0.000 1.559) 1.559 9.954 ( 0.000 0.000 1.559) 1.559 10.767 ( 0.000 0.000 6.118) 6.118 10.767 ( 0.000 0.000 6.118) 6.118 11.063 ( 0.000 0.000 2.595) 2.595 11.063 ( 0.000 0.000 2.595) 2.595 11.431 ( -0.000 -0.000 6.596) 6.596 11.431 ( 0.000 0.000 6.596) 6.596 12.814 ( 0.000 0.000 3.166) 3.166 12.814 ( 0.000 0.000 3.166) 3.166 13.452 ( 0.000 0.000 -3.940) 3.940 13.452 ( 0.000 0.000 -3.940) 3.940 22.068 ( 0.000 0.000 0.335) 0.335 22.068 ( 0.000 0.000 0.335) 0.335 22.675 ( 0.000 0.000 6.899) 6.899 22.675 ( 0.000 0.000 6.899) 6.899 23.505 ( 0.000 0.000 -0.048) 0.048 23.505 ( 0.000 0.000 -0.048) 0.048 24.560 ( 0.000 0.000 -14.613) 14.613 24.560 ( 0.000 0.000 -14.613) 14.613 25.800 ( 0.000 0.000 3.224) 3.224 25.800 ( 0.000 0.000 3.224) 3.224 26.055 ( -0.000 -0.000 1.904) 1.904 26.055 ( 0.000 0.000 1.904) 1.904 26.935 ( 0.000 0.000 -6.726) 6.726 26.935 ( 0.000 0.000 -6.726) 6.726 27.433 ( 0.000 0.000 0.950) 0.950 27.433 ( 0.000 0.000 0.950) 0.950 27.931 ( 0.000 0.000 2.228) 2.228 27.931 ( 0.000 0.000 2.228) 2.228 27.959 ( 0.000 0.000 -9.669) 9.669 27.959 ( 0.000 0.000 -9.669) 9.669 28.555 ( 0.000 0.000 2.595) 2.595 28.555 ( 0.000 0.000 2.595) 2.595 30.229 ( 0.000 0.000 5.347) 5.347 30.229 ( 0.000 0.000 5.347) 5.347 ======================= Grid point 196 (41/50) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.000 0.000 15.200) 15.200 2.216 ( 0.000 0.000 15.200) 15.200 2.665 ( -0.000 0.000 -0.331) 0.331 2.715 ( 0.000 0.000 -2.170) 2.170 2.715 ( -0.000 0.000 -2.170) 2.170 2.756 ( 0.000 0.000 -6.561) 6.561 2.798 ( -0.000 0.000 -6.610) 6.610 2.798 ( 0.000 0.000 -6.610) 6.610 2.814 ( 0.000 0.000 -0.151) 0.151 2.932 ( -0.000 0.000 -1.859) 1.859 3.189 ( 0.000 0.000 -7.510) 7.510 3.189 ( 0.000 0.000 -7.510) 7.510 3.800 ( 0.000 0.000 29.434) 29.434 3.826 ( 0.000 0.000 0.288) 0.288 4.093 ( -0.000 -0.000 0.378) 0.378 4.520 ( -0.000 0.000 -23.186) 23.186 4.610 ( 0.000 0.000 8.806) 8.806 4.610 ( 0.000 0.000 8.806) 8.806 5.211 ( -0.000 0.000 -2.878) 2.878 5.211 ( 0.000 0.000 -2.878) 2.878 5.551 ( 0.000 -0.000 2.302) 2.302 5.994 ( 0.000 0.000 -3.480) 3.480 5.994 ( 0.000 -0.000 -3.480) 3.480 6.187 ( 0.000 0.000 -0.420) 0.420 7.019 ( -0.000 -0.000 1.014) 1.014 7.702 ( -0.000 0.000 0.230) 0.230 7.702 ( 0.000 0.000 0.230) 0.230 8.252 ( 0.000 0.000 2.659) 2.659 8.558 ( 0.000 -0.000 1.512) 1.512 8.601 ( 0.000 0.000 -0.593) 0.593 8.853 ( 0.000 0.000 2.731) 2.731 8.853 ( 0.000 0.000 2.731) 2.731 8.946 ( 0.000 0.000 -1.438) 1.438 8.946 ( -0.000 0.000 -1.438) 1.438 9.033 ( 0.000 0.000 2.440) 2.440 9.322 ( 0.000 0.000 0.947) 0.947 9.322 ( -0.000 0.000 0.947) 0.947 9.786 ( -0.000 0.000 0.785) 0.785 9.890 ( 0.000 0.000 0.291) 0.291 9.890 ( 0.000 0.000 0.291) 0.291 11.170 ( 0.000 0.000 8.148) 8.148 11.692 ( 0.000 0.000 9.183) 9.183 12.071 ( -0.000 -0.000 -7.378) 7.378 12.582 ( 0.000 0.000 0.607) 0.607 12.582 ( -0.000 -0.000 0.607) 0.607 12.987 ( 0.000 0.000 0.544) 0.544 13.439 ( 0.000 0.000 2.646) 2.646 14.157 ( 0.000 0.000 -0.533) 0.533 21.157 ( 0.000 0.000 -1.851) 1.851 21.753 ( -0.000 -0.000 -0.995) 0.995 22.599 ( 0.000 0.000 1.306) 1.306 22.599 ( 0.000 0.000 1.306) 1.306 23.224 ( -0.000 -0.000 -0.709) 0.709 23.224 ( -0.000 -0.000 -0.709) 0.709 24.119 ( 0.000 0.000 -0.184) 0.184 24.119 ( 0.000 0.000 -0.184) 0.184 24.152 ( -0.000 -0.000 -0.789) 0.789 25.128 ( 0.000 0.000 0.243) 0.243 25.676 ( -0.000 -0.000 2.242) 2.242 26.505 ( -0.000 0.000 0.474) 0.474 27.089 ( 0.000 0.000 1.181) 1.181 27.221 ( -0.000 0.000 -0.902) 0.902 27.416 ( -0.000 -0.000 1.534) 1.534 27.416 ( 0.000 0.000 1.534) 1.534 28.167 ( -0.000 -0.000 0.641) 0.641 28.375 ( 0.000 0.000 -1.668) 1.668 28.375 ( 0.000 0.000 -1.668) 1.668 28.622 ( -0.000 0.000 0.032) 0.032 28.622 ( -0.000 -0.000 0.032) 0.032 29.523 ( 0.000 0.000 -1.683) 1.683 29.801 ( -0.000 -0.000 -1.072) 1.072 31.635 ( 0.000 0.000 1.002) 1.002 ======================= Grid point 197 (42/50) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 2.647 0.000 14.321) 14.563 2.352 ( 10.769 0.000 16.715) 19.883 2.655 ( -4.819 0.000 0.860) 4.895 2.687 ( -0.708 0.000 3.947) 4.010 2.770 ( 6.375 0.000 -4.815) 7.989 2.779 ( 1.258 0.000 -3.975) 4.169 2.787 ( 4.916 0.000 -2.012) 5.312 2.862 ( 7.041 0.000 -11.848) 13.782 3.004 ( 12.474 0.000 -0.223) 12.476 3.073 ( 9.830 0.000 -8.187) 12.793 3.185 ( 0.444 0.000 -9.002) 9.013 3.320 ( 11.948 0.000 -5.624) 13.205 3.757 ( -5.897 0.000 0.291) 5.904 3.883 ( 7.919 0.000 26.506) 27.664 3.961 ( -9.984 0.000 0.908) 10.025 4.552 ( -5.886 0.000 7.075) 9.204 4.558 ( 4.059 0.000 -18.336) 18.780 4.681 ( 4.186 0.000 7.622) 8.696 5.098 ( -10.467 0.000 -4.061) 11.227 5.269 ( 5.296 0.000 -2.020) 5.668 5.501 ( -4.827 0.000 2.140) 5.281 5.937 ( -5.222 0.000 -3.132) 6.089 5.967 ( -2.513 0.000 -2.936) 3.865 6.113 ( -6.428 0.000 -0.968) 6.500 7.134 ( 10.373 0.000 0.928) 10.415 7.617 ( -6.711 0.000 0.557) 6.734 7.713 ( 0.908 0.000 0.285) 0.952 8.281 ( 2.778 0.000 3.015) 4.099 8.433 ( -25.295 0.000 5.068) 25.798 8.579 ( -3.105 0.000 -2.833) 4.203 8.583 ( -0.798 0.000 -0.087) 0.802 8.874 ( -4.861 0.000 -0.123) 4.863 8.936 ( 5.082 0.000 1.210) 5.224 8.980 ( 11.141 0.000 1.628) 11.259 9.094 ( 7.666 0.000 0.528) 7.684 9.271 ( -4.432 0.000 0.988) 4.541 9.867 ( 6.289 0.000 0.762) 6.335 9.881 ( 31.429 0.000 2.427) 31.523 9.889 ( 0.531 0.000 0.113) 0.543 10.019 ( 11.805 0.000 1.220) 11.868 11.365 ( 14.455 0.000 6.389) 15.804 11.608 ( -6.921 0.000 5.879) 9.081 11.994 ( -3.851 0.000 -1.155) 4.021 12.545 ( -3.048 0.000 0.579) 3.103 12.611 ( 2.022 0.000 -2.374) 3.119 12.907 ( -7.289 0.000 0.514) 7.307 13.405 ( -3.789 0.000 2.473) 4.524 13.972 ( -16.839 0.000 0.164) 16.840 21.268 ( 10.501 0.000 -1.546) 10.614 21.920 ( 15.100 0.000 -0.921) 15.128 22.613 ( 1.204 0.000 1.084) 1.620 22.630 ( -0.742 0.000 -0.510) 0.900 23.202 ( -1.743 0.000 -0.405) 1.789 23.312 ( 8.494 0.000 0.690) 8.522 23.949 ( -3.132 0.000 -2.205) 3.830 24.019 ( -9.619 0.000 -0.117) 9.619 24.504 ( 22.013 0.000 -0.383) 22.016 25.210 ( 7.798 0.000 0.255) 7.802 25.711 ( 2.759 0.000 2.074) 3.451 26.514 ( 1.908 0.000 0.754) 2.052 27.051 ( -13.896 0.000 -0.462) 13.904 27.152 ( 3.495 0.000 0.934) 3.618 27.481 ( 6.012 0.000 1.506) 6.197 27.501 ( 6.759 0.000 1.759) 6.984 28.127 ( -4.998 0.000 1.385) 5.186 28.201 ( -18.059 0.000 -4.066) 18.511 28.344 ( -3.840 0.000 -1.080) 3.989 28.505 ( -4.323 0.000 0.094) 4.324 28.575 ( -2.942 0.000 -0.523) 2.988 29.409 ( -10.500 0.000 -1.755) 10.645 29.950 ( 11.558 0.000 -0.217) 11.560 31.467 ( -15.210 0.000 1.726) 15.308 ======================= Grid point 198 (43/50) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 4.612 0.000 11.564) 12.450 2.543 ( -5.525 0.000 3.559) 6.572 2.548 ( 6.597 0.000 20.559) 21.592 2.674 ( -0.878 0.000 13.910) 13.938 2.886 ( 7.828 0.000 -9.598) 12.385 2.891 ( 4.901 0.000 -5.954) 7.711 2.926 ( 6.656 0.000 -1.769) 6.888 3.002 ( 5.118 0.000 -18.121) 18.830 3.132 ( 1.189 0.000 -2.867) 3.104 3.259 ( 7.623 0.000 -10.063) 12.624 3.333 ( 5.963 0.000 -2.948) 6.652 3.587 ( 2.632 0.000 -2.074) 3.351 3.682 ( 5.177 0.000 -0.540) 5.205 3.797 ( 6.453 0.000 -0.812) 6.504 4.152 ( 15.675 0.000 17.936) 23.820 4.353 ( -13.259 0.000 3.866) 13.811 4.637 ( -3.808 0.000 5.166) 6.418 4.686 ( -6.659 0.000 -0.824) 6.710 4.875 ( -1.073 0.000 -9.957) 10.015 5.346 ( -10.272 0.000 1.107) 10.332 5.415 ( 8.332 0.000 -1.104) 8.405 5.790 ( -8.470 0.000 -2.245) 8.762 5.903 ( -2.985 0.000 -1.956) 3.568 5.964 ( -6.529 0.000 -2.221) 6.897 7.400 ( 13.565 0.000 0.784) 13.587 7.510 ( -1.648 0.000 0.877) 1.867 7.721 ( -0.944 0.000 0.454) 1.047 7.924 ( -20.855 0.000 2.547) 21.010 8.365 ( 4.706 0.000 3.854) 6.083 8.538 ( -2.709 0.000 0.604) 2.776 8.589 ( 1.481 0.000 0.181) 1.492 8.751 ( -5.898 0.000 -0.315) 5.907 9.030 ( 2.921 0.000 1.496) 3.282 9.162 ( -5.298 0.000 1.037) 5.399 9.242 ( 12.010 0.000 1.838) 12.150 9.298 ( 10.030 0.000 1.458) 10.136 9.929 ( 3.736 0.000 0.210) 3.741 9.992 ( 4.140 0.000 0.495) 4.170 10.311 ( 14.521 0.000 2.892) 14.806 10.417 ( 16.325 0.000 1.708) 16.414 11.426 ( -4.715 0.000 5.538) 7.273 11.506 ( -5.639 0.000 -1.189) 5.763 12.186 ( 22.426 0.000 7.175) 23.546 12.492 ( -0.994 0.000 0.504) 1.115 12.664 ( 3.727 0.000 -4.615) 5.932 12.715 ( -9.982 0.000 0.460) 9.993 13.255 ( -10.678 0.000 2.055) 10.874 13.524 ( -23.760 0.000 0.743) 23.771 21.583 ( 19.119 0.000 -0.845) 19.137 22.308 ( 19.425 0.000 -0.641) 19.436 22.447 ( -16.341 0.000 -0.648) 16.353 22.639 ( 0.789 0.000 0.487) 0.927 23.186 ( 1.806 0.000 0.197) 1.817 23.558 ( 13.797 0.000 -0.388) 13.803 23.728 ( -17.498 0.000 -0.032) 17.498 23.942 ( -0.978 0.000 -3.551) 3.683 25.097 ( 34.729 0.000 -1.026) 34.744 25.429 ( 12.126 0.000 0.477) 12.135 25.748 ( -0.425 0.000 1.624) 1.678 26.565 ( -21.870 0.000 2.676) 22.033 26.668 ( 4.591 0.000 -3.191) 5.591 27.270 ( 4.899 0.000 1.441) 5.106 27.586 ( -5.055 0.000 4.138) 6.533 27.656 ( 10.485 0.000 1.388) 10.577 27.682 ( -19.204 0.000 -4.819) 19.800 28.126 ( 3.167 0.000 -1.361) 3.447 28.175 ( -11.809 0.000 0.347) 11.814 28.423 ( -5.354 0.000 -0.336) 5.364 28.591 ( 5.362 0.000 -1.782) 5.651 29.119 ( -16.102 0.000 -1.936) 16.218 30.226 ( 15.154 0.000 1.233) 15.204 31.059 ( -22.351 0.000 2.728) 22.517 ======================= Grid point 199 (44/50) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -5.439 0.000 7.606) 9.351 2.428 ( 5.439 0.000 7.606) 9.351 2.639 ( -2.700 0.000 19.834) 20.017 2.639 ( 2.700 0.000 19.834) 20.017 2.970 ( -2.200 0.000 -5.028) 5.488 2.970 ( 2.200 0.000 -5.028) 5.488 3.022 ( -3.604 0.000 -16.894) 17.275 3.022 ( 3.604 0.000 -16.894) 17.275 3.240 ( -8.491 0.000 -1.287) 8.589 3.240 ( 8.491 0.000 -1.287) 8.589 3.426 ( -9.216 0.000 -5.151) 10.558 3.426 ( 9.216 0.000 -5.151) 10.558 4.008 ( -19.049 0.000 0.836) 19.067 4.008 ( 19.049 0.000 0.836) 19.067 4.208 ( -21.861 0.000 1.103) 21.889 4.208 ( 21.861 0.000 1.103) 21.889 4.511 ( -11.279 0.000 8.657) 14.219 4.511 ( 11.279 0.000 8.657) 14.219 5.083 ( -13.876 0.000 -3.527) 14.317 5.083 ( 13.876 0.000 -3.527) 14.317 5.602 ( -9.284 0.000 -1.315) 9.377 5.602 ( 9.284 0.000 -1.315) 9.377 5.879 ( -1.328 0.000 -2.178) 2.551 5.879 ( 1.328 0.000 -2.178) 2.551 7.595 ( -10.144 0.000 1.522) 10.258 7.595 ( 10.144 0.000 1.522) 10.258 7.636 ( -7.920 0.000 0.645) 7.946 7.636 ( 7.920 0.000 0.645) 7.946 8.463 ( -4.360 0.000 3.149) 5.378 8.463 ( 4.360 0.000 3.149) 5.378 8.646 ( -3.950 0.000 0.033) 3.950 8.646 ( 3.950 0.000 0.033) 3.950 9.077 ( -2.629 0.000 1.202) 2.891 9.077 ( 2.629 0.000 1.202) 2.891 9.404 ( -1.700 0.000 2.023) 2.643 9.404 ( 1.700 0.000 2.023) 2.643 10.009 ( -2.492 0.000 0.365) 2.519 10.009 ( 2.492 0.000 0.365) 2.519 10.524 ( -4.343 0.000 2.352) 4.939 10.524 ( 4.343 0.000 2.352) 4.939 11.403 ( -2.473 0.000 1.641) 2.967 11.403 ( 2.473 0.000 1.641) 2.967 12.539 ( -5.840 0.000 0.445) 5.857 12.539 ( 5.840 0.000 0.445) 5.857 12.643 ( -14.522 0.000 3.782) 15.006 12.643 ( 14.522 0.000 3.782) 15.006 13.129 ( -8.435 0.000 -0.985) 8.492 13.129 ( 8.435 0.000 -0.985) 8.492 22.026 ( -22.223 0.000 -0.323) 22.225 22.026 ( 22.223 0.000 -0.323) 22.225 22.598 ( -6.694 0.000 -0.085) 6.695 22.598 ( 6.694 0.000 -0.085) 6.695 23.358 ( -15.240 0.000 0.168) 15.241 23.358 ( 15.240 0.000 0.168) 15.241 23.824 ( -10.263 0.000 -2.536) 10.572 23.824 ( 10.263 0.000 -2.536) 10.572 25.657 ( -8.377 0.000 1.005) 8.438 25.657 ( 8.377 0.000 1.005) 8.438 25.874 ( -37.394 0.000 -1.014) 37.407 25.874 ( 37.394 0.000 -1.014) 37.407 27.022 ( -22.225 0.000 -1.018) 22.248 27.022 ( 22.225 0.000 -1.018) 22.248 27.526 ( -6.811 0.000 0.933) 6.875 27.526 ( 6.811 0.000 0.933) 6.875 27.905 ( -13.050 0.000 1.045) 13.092 27.905 ( 13.050 0.000 1.045) 13.092 28.270 ( -8.649 0.000 -0.963) 8.702 28.270 ( 8.649 0.000 -0.963) 8.702 28.795 ( -13.674 0.000 -2.067) 13.830 28.795 ( 13.674 0.000 -2.067) 13.830 30.599 ( -20.577 0.000 2.512) 20.730 30.599 ( 20.577 0.000 2.512) 20.730 ======================= Grid point 204 (45/50) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 4.155 4.155 16.296) 17.323 2.393 ( 8.056 8.056 14.611) 18.528 2.682 ( 0.839 0.839 -7.420) 7.514 2.705 ( 1.018 1.018 3.439) 3.729 2.794 ( 3.759 3.759 -3.771) 6.517 2.825 ( 3.733 3.733 3.613) 6.397 2.905 ( 2.095 2.095 -1.801) 3.468 2.910 ( 6.483 6.483 -0.370) 9.175 3.010 ( 10.292 10.292 -11.310) 18.432 3.205 ( 5.911 5.911 -9.435) 12.606 3.220 ( 4.019 4.019 -4.087) 7.000 3.420 ( 10.397 10.397 -8.162) 16.817 3.694 ( -5.244 -5.244 0.365) 7.426 3.856 ( -7.988 -7.988 0.219) 11.299 3.963 ( 7.420 7.420 23.895) 26.098 4.485 ( -6.015 -6.015 9.691) 12.894 4.590 ( 3.290 3.290 -15.458) 16.143 4.746 ( 4.170 4.170 3.604) 6.912 5.059 ( -6.819 -6.819 -4.260) 10.542 5.254 ( 1.749 1.749 -1.471) 2.878 5.453 ( -4.564 -4.564 2.287) 6.848 5.875 ( -5.490 -5.490 -3.348) 8.454 5.934 ( -3.376 -3.376 -1.622) 5.042 6.041 ( -6.236 -6.236 -1.855) 9.012 7.209 ( 5.885 5.885 0.990) 8.382 7.249 ( -16.206 -16.206 0.703) 22.929 8.102 ( -20.994 -20.994 3.074) 29.849 8.144 ( 19.272 19.272 0.143) 27.256 8.297 ( -1.344 -1.344 3.589) 4.061 8.334 ( -3.000 -3.000 -0.491) 4.271 8.885 ( 4.278 4.278 1.047) 6.140 8.887 ( -0.459 -0.459 1.410) 1.552 8.897 ( -0.560 -0.560 1.119) 1.370 8.997 ( 3.411 3.411 -0.901) 4.907 9.096 ( 6.238 6.238 -0.122) 8.823 9.428 ( 5.082 5.082 1.600) 7.363 9.930 ( 1.396 1.396 2.308) 3.037 9.951 ( 6.574 6.574 0.957) 9.346 10.067 ( 18.271 18.271 1.887) 25.908 10.079 ( 8.753 8.753 0.768) 12.403 11.553 ( -4.741 -4.741 5.655) 8.771 11.599 ( 18.542 18.542 5.199) 26.733 11.913 ( -6.009 -6.009 -0.937) 8.549 12.248 ( -14.806 -14.806 0.201) 20.939 12.799 ( -5.903 -5.903 1.001) 8.407 12.825 ( 4.031 4.031 -2.252) 6.129 13.385 ( -2.282 -2.282 2.130) 3.867 13.829 ( -12.765 -12.765 0.320) 18.056 21.360 ( 8.898 8.898 -1.283) 12.649 22.089 ( 15.284 15.284 -0.824) 21.631 22.584 ( -2.171 -2.171 0.764) 3.164 22.708 ( 3.235 3.235 -1.247) 4.741 23.157 ( -3.093 -3.093 2.129) 4.864 23.424 ( 9.744 9.744 -0.395) 13.785 23.681 ( -9.335 -9.335 -2.761) 13.487 24.395 ( 2.031 2.031 -1.055) 3.059 24.485 ( 17.485 17.485 -0.740) 24.739 25.292 ( 7.487 7.487 0.323) 10.593 25.747 ( 2.864 2.864 1.977) 4.507 26.516 ( 0.991 0.991 1.035) 1.742 26.946 ( -11.922 -11.922 -1.057) 16.894 27.169 ( 3.368 3.368 1.596) 5.024 27.466 ( 1.811 1.811 1.118) 2.795 27.653 ( 9.921 9.921 2.419) 14.237 28.083 ( -5.772 -5.772 1.883) 8.378 28.142 ( -9.936 -9.936 -3.694) 14.529 28.255 ( -9.548 -9.548 -3.237) 13.886 28.349 ( -4.517 -4.517 -0.792) 6.438 28.567 ( -0.992 -0.992 0.576) 1.517 29.289 ( -11.016 -11.016 -1.861) 15.690 30.039 ( 7.246 7.246 0.190) 10.249 31.314 ( -13.952 -13.952 2.206) 19.854 ======================= Grid point 205 (46/50) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 3.876 6.181 13.714) 15.534 2.564 ( 2.771 5.888 11.321) 13.058 2.680 ( 0.237 7.819 7.951) 11.154 2.730 ( 1.109 4.169 2.585) 5.029 2.866 ( 3.646 2.666 -6.555) 7.960 2.908 ( 4.465 3.046 -5.623) 7.799 2.957 ( 7.642 0.477 3.218) 8.306 3.133 ( 4.663 1.337 -2.460) 5.439 3.206 ( 5.899 11.105 -9.603) 15.822 3.283 ( 3.969 4.241 -7.191) 9.244 3.338 ( 3.058 0.356 -3.954) 5.012 3.604 ( -5.256 1.691 -4.504) 7.126 3.633 ( 6.416 -2.435 1.973) 7.141 3.825 ( 16.527 3.162 -6.245) 17.949 4.206 ( 14.443 5.310 16.369) 22.466 4.292 ( -12.362 -5.552 8.587) 16.043 4.668 ( 0.946 1.848 -2.607) 3.333 4.736 ( -13.946 3.818 0.227) 14.461 4.875 ( 1.482 0.100 -7.559) 7.704 5.305 ( -8.353 -3.336 1.603) 9.136 5.373 ( 6.860 -3.630 -0.336) 7.768 5.727 ( -8.294 -5.859 -2.650) 10.495 5.841 ( -4.472 -5.931 0.015) 7.428 5.896 ( -6.548 -5.835 -3.704) 9.521 7.020 ( -4.903 -24.975 0.643) 25.459 7.244 ( -6.212 -16.500 1.071) 17.663 7.828 ( -1.243 -1.378 2.440) 3.066 8.103 ( -7.248 9.160 1.543) 11.782 8.416 ( 6.383 4.537 3.610) 8.624 8.545 ( 9.907 13.411 1.089) 16.709 8.747 ( -7.162 6.496 1.661) 9.811 8.771 ( -6.064 -1.209 1.142) 6.288 9.039 ( 9.449 0.365 0.950) 9.504 9.221 ( 11.092 0.204 0.139) 11.095 9.268 ( 7.658 1.267 -0.591) 7.785 9.418 ( -3.947 17.380 1.865) 17.920 9.941 ( 1.448 1.475 1.451) 2.526 10.062 ( 2.322 5.477 1.220) 6.073 10.356 ( 15.000 4.695 1.965) 15.840 10.481 ( 15.375 6.433 2.088) 16.797 11.440 ( -4.167 0.154 4.060) 5.819 11.618 ( -11.527 7.138 1.177) 13.609 12.036 ( -1.215 -24.764 1.331) 24.830 12.206 ( 25.710 0.926 2.483) 25.846 12.531 ( -16.011 -16.148 1.272) 22.776 12.896 ( -0.656 8.340 -1.205) 8.452 13.293 ( -6.057 2.939 0.822) 6.782 13.508 ( -15.863 -1.992 -0.055) 15.988 21.633 ( 16.928 5.027 -0.669) 17.672 22.421 ( -13.219 -1.693 0.343) 13.332 22.480 ( 17.369 14.266 -0.975) 22.498 22.729 ( 0.538 5.581 0.325) 5.616 23.120 ( 0.924 -4.828 2.532) 5.530 23.534 ( -8.374 -7.134 -2.498) 11.281 23.691 ( 14.808 11.154 -1.992) 18.646 24.231 ( -9.959 15.322 -2.645) 18.464 25.126 ( 36.220 5.292 -1.175) 36.624 25.497 ( 11.287 5.914 0.558) 12.755 25.787 ( -0.222 3.225 1.642) 3.626 26.531 ( -19.185 -3.534 2.774) 19.704 26.640 ( 4.049 -2.232 -3.236) 5.644 27.262 ( 2.451 -0.263 1.595) 2.936 27.519 ( 0.755 -2.389 1.806) 3.088 27.626 ( -23.064 -3.293 -2.656) 23.449 27.843 ( 5.734 10.783 2.397) 12.446 28.080 ( 2.705 -3.662 0.150) 4.555 28.178 ( -6.917 -7.492 -1.367) 10.288 28.247 ( -0.259 -8.743 -2.493) 9.095 28.567 ( 1.006 -1.495 -0.378) 1.841 28.987 ( -16.584 -12.029 -2.175) 20.602 30.228 ( 11.289 0.081 1.173) 11.350 30.940 ( -20.297 -10.720 2.780) 23.122 ======================= Grid point 206 (47/50) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -4.807 5.997 9.723) 12.394 2.508 ( 4.807 5.997 9.723) 12.394 2.721 ( -1.860 7.559 9.802) 12.517 2.721 ( 1.860 7.559 9.802) 12.517 2.946 ( -2.053 2.947 -6.234) 7.195 2.946 ( 2.053 2.947 -6.234) 7.195 3.135 ( -8.365 0.295 -0.434) 8.382 3.135 ( 8.365 0.295 -0.434) 8.382 3.233 ( -6.550 0.387 -3.895) 7.630 3.233 ( 6.550 0.387 -3.895) 7.630 3.454 ( -7.484 7.173 -10.409) 14.691 3.454 ( 7.484 7.173 -10.409) 14.691 3.953 ( -18.195 -4.307 6.388) 19.759 3.953 ( 18.195 -4.307 6.388) 19.759 4.279 ( -21.667 4.893 -4.060) 22.580 4.279 ( 21.667 4.893 -4.060) 22.580 4.540 ( -11.074 2.827 7.132) 13.472 4.540 ( 11.074 2.827 7.132) 13.472 5.072 ( -12.499 -0.688 -2.277) 12.723 5.072 ( 12.499 -0.688 -2.277) 12.723 5.547 ( -8.748 -5.154 -1.026) 10.205 5.547 ( 8.748 -5.154 -1.026) 10.205 5.804 ( -1.571 -6.791 -2.183) 7.304 5.804 ( 1.571 -6.791 -2.183) 7.304 7.054 ( -7.531 -27.638 0.802) 28.657 7.054 ( 7.531 -27.638 0.802) 28.657 7.945 ( -8.119 7.860 2.464) 11.566 7.945 ( 8.119 7.860 2.464) 11.566 8.565 ( -6.933 9.280 2.770) 11.911 8.565 ( 6.933 9.280 2.770) 11.911 8.677 ( -2.641 0.661 1.139) 2.951 8.677 ( 2.641 0.661 1.139) 2.951 9.260 ( -8.649 16.012 1.331) 18.247 9.260 ( 8.649 16.012 1.331) 18.247 9.368 ( -2.231 -0.817 0.516) 2.432 9.368 ( 2.231 -0.817 0.516) 2.432 10.018 ( -5.062 0.822 0.863) 5.200 10.018 ( 5.062 0.822 0.863) 5.200 10.588 ( -4.716 5.632 2.203) 7.669 10.588 ( 4.716 5.632 2.203) 7.669 11.434 ( -4.285 1.500 2.422) 5.146 11.434 ( 4.285 1.500 2.422) 5.146 12.187 ( -14.810 -24.934 0.979) 29.017 12.187 ( 14.810 -24.934 0.979) 29.017 12.707 ( -18.690 3.418 2.712) 19.193 12.707 ( 18.690 3.418 2.712) 19.193 13.261 ( -5.887 7.743 -1.370) 9.823 13.261 ( 5.887 7.743 -1.370) 9.823 22.035 ( -20.469 0.829 -0.162) 20.487 22.035 ( 20.469 0.829 -0.162) 20.487 22.721 ( -3.505 9.071 0.658) 9.747 22.721 ( 3.505 9.071 0.658) 9.747 23.278 ( -13.714 -3.224 0.058) 14.088 23.278 ( 13.714 -3.224 0.058) 14.088 23.993 ( -13.230 12.614 -3.339) 18.582 23.993 ( 13.230 12.614 -3.339) 18.582 25.701 ( -8.277 3.990 1.086) 9.253 25.701 ( 8.277 3.990 1.086) 9.253 25.908 ( -35.067 3.277 -0.833) 35.230 25.908 ( 35.067 3.277 -0.833) 35.230 26.964 ( -21.838 -4.796 -1.182) 22.390 26.964 ( 21.838 -4.796 -1.182) 22.390 27.494 ( -4.523 -2.238 0.789) 5.108 27.494 ( 4.523 -2.238 0.789) 5.108 27.970 ( -8.244 3.847 1.410) 9.207 27.970 ( 8.244 3.847 1.410) 9.207 28.223 ( -4.965 -4.268 -0.997) 6.623 28.223 ( 4.965 -4.268 -0.997) 6.623 28.675 ( -11.166 -9.659 -2.251) 14.935 28.675 ( 11.166 -9.659 -2.251) 14.935 30.531 ( -17.765 -6.121 2.340) 18.935 30.531 ( 17.765 -6.121 2.341) 18.935 ======================= Grid point 212 (48/50) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 5.151 5.151 14.697) 16.403 2.708 ( 2.773 2.773 7.921) 8.838 2.789 ( 3.411 3.411 -10.269) 11.346 2.861 ( 6.192 6.192 1.363) 8.862 2.903 ( 0.610 0.610 3.104) 3.221 2.972 ( 8.195 8.195 2.155) 11.788 3.020 ( 1.897 1.897 -5.487) 6.107 3.222 ( -6.562 -6.562 -0.900) 9.324 3.243 ( 7.972 7.972 6.541) 13.034 3.271 ( -4.756 -4.756 -0.963) 6.794 3.544 ( 0.954 0.954 9.163) 9.262 3.554 ( 14.233 14.233 -9.764) 22.372 3.815 ( 7.616 7.616 -12.919) 16.819 3.948 ( 13.108 13.108 -9.137) 20.667 4.114 ( -11.384 -11.384 11.007) 19.503 4.381 ( 11.034 11.034 11.484) 19.375 4.685 ( -10.572 -10.572 -7.692) 16.814 4.707 ( 0.853 0.853 -0.800) 1.447 4.931 ( 5.565 5.565 -2.486) 8.254 5.223 ( -5.282 -5.282 3.697) 8.335 5.322 ( 1.000 1.000 0.257) 1.437 5.570 ( -8.395 -8.395 -3.922) 12.504 5.680 ( -7.647 -7.647 1.708) 10.948 5.754 ( -7.296 -7.296 -4.093) 11.101 6.616 ( -12.193 -12.193 0.426) 17.248 6.832 ( -19.082 -19.082 0.787) 26.998 7.904 ( 6.370 6.370 4.261) 9.965 8.116 ( -2.654 -2.654 4.181) 5.619 8.535 ( 5.229 5.229 3.717) 8.277 8.664 ( -4.628 -4.628 3.072) 7.230 8.717 ( -1.165 -1.165 1.469) 2.208 8.920 ( -0.985 -0.985 -0.465) 1.468 9.218 ( 25.534 25.534 2.425) 36.192 9.305 ( 6.037 6.037 -1.834) 8.732 9.335 ( 4.515 4.515 -1.778) 6.628 9.712 ( 7.859 7.859 1.687) 11.241 9.967 ( 0.673 0.673 1.876) 2.104 10.161 ( 1.462 1.462 2.332) 3.117 10.528 ( 11.278 11.278 1.715) 16.041 10.671 ( 9.865 9.865 2.466) 14.168 11.442 ( -0.376 -0.376 6.669) 6.690 11.516 ( -17.485 -17.485 0.050) 24.727 11.606 ( -8.585 -8.585 -0.501) 12.152 12.116 ( -21.889 -21.889 2.039) 31.023 12.440 ( 18.157 18.157 2.154) 25.768 12.961 ( -2.006 -2.006 0.654) 2.911 13.338 ( 1.060 1.060 -1.230) 1.939 13.438 ( -4.190 -4.190 -1.324) 6.071 21.797 ( 10.586 10.586 -0.268) 14.973 22.312 ( -9.242 -9.242 0.153) 13.071 22.779 ( 0.407 0.407 1.227) 1.355 22.795 ( 9.019 9.019 1.372) 12.828 23.093 ( 7.048 7.048 2.493) 10.274 23.491 ( -0.487 -0.487 -2.671) 2.759 23.969 ( 14.352 14.352 -4.066) 20.700 24.384 ( -1.345 -1.345 -3.900) 4.339 25.444 ( 24.985 24.985 -1.026) 35.349 25.650 ( 8.147 8.147 0.785) 11.549 25.843 ( 0.987 0.987 1.562) 2.095 26.383 ( -11.838 -11.838 1.053) 16.775 26.632 ( 3.763 3.763 -1.655) 5.573 27.242 ( -6.442 -6.442 0.917) 9.157 27.470 ( -6.366 -6.366 0.666) 9.027 27.507 ( -3.969 -3.969 -1.306) 5.763 27.892 ( -4.876 -4.876 -2.218) 7.244 27.988 ( -1.651 -1.651 -0.342) 2.360 28.057 ( 3.540 3.540 5.754) 7.627 28.179 ( -3.683 -3.683 -5.157) 7.330 28.563 ( 0.517 0.517 0.815) 1.095 28.682 ( -14.237 -14.237 -2.845) 20.335 30.246 ( 2.664 2.664 1.238) 3.965 30.658 ( -14.931 -14.931 2.596) 21.275 ======================= Grid point 213 (49/50) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -5.832 6.767 10.870) 14.070 2.641 ( 5.832 6.767 10.870) 14.070 2.864 ( -2.245 4.991 -8.577) 10.174 2.864 ( 2.245 4.991 -8.577) 10.174 3.029 ( -7.546 -5.981 2.141) 9.864 3.029 ( 7.546 -5.981 2.141) 9.864 3.115 ( -2.444 2.597 -0.851) 3.666 3.115 ( 2.444 2.597 -0.851) 3.666 3.216 ( -6.970 6.612 5.384) 11.013 3.216 ( 6.970 6.612 5.384) 11.013 3.728 ( -7.476 7.805 -0.934) 10.848 3.728 ( 7.476 7.805 -0.934) 10.848 3.860 ( -8.645 1.363 0.542) 8.768 3.860 ( 8.645 1.363 0.542) 8.768 4.344 ( -19.790 0.059 -8.647) 21.597 4.344 ( 19.790 0.059 -8.647) 21.597 4.623 ( -9.422 4.752 4.180) 11.350 4.623 ( 9.422 4.752 4.180) 11.350 5.080 ( -7.953 1.675 1.357) 8.240 5.080 ( 7.953 1.675 1.357) 8.240 5.408 ( -6.341 -6.907 -1.387) 9.479 5.408 ( 6.341 -6.907 -1.387) 9.479 5.627 ( -3.309 -9.084 -1.684) 9.813 5.627 ( 3.309 -9.084 -1.684) 9.813 6.552 ( -6.103 -18.606 0.433) 19.586 6.552 ( 6.103 -18.606 0.433) 19.586 8.034 ( -5.347 2.477 5.527) 8.079 8.034 ( 5.347 2.477 5.527) 8.079 8.583 ( -1.841 -5.259 3.724) 6.702 8.583 ( 1.841 -5.259 3.724) 6.702 8.805 ( -7.232 8.409 -0.200) 11.093 8.805 ( 7.232 8.409 -0.200) 11.093 9.385 ( -0.555 3.118 -1.865) 3.675 9.385 ( 0.555 3.118 -1.865) 3.675 9.701 ( -12.209 22.240 2.973) 25.545 9.701 ( 12.209 22.240 2.973) 25.545 10.036 ( -8.790 0.805 1.044) 8.888 10.036 ( 8.790 0.805 1.044) 8.888 10.739 ( -5.711 8.024 2.154) 10.081 10.739 ( 5.711 8.024 2.154) 10.081 11.355 ( -5.620 -12.399 3.301) 14.008 11.355 ( 5.620 -12.399 3.301) 14.008 11.692 ( -16.476 -16.952 1.384) 23.680 11.692 ( 16.476 -16.952 1.384) 23.680 12.799 ( -13.647 4.791 1.654) 14.558 12.799 ( 13.647 4.791 1.654) 14.558 13.364 ( -2.297 2.195 -2.066) 3.790 13.364 ( 2.297 2.195 -2.066) 3.790 22.058 ( -13.632 1.203 0.056) 13.685 22.058 ( 13.632 1.203 0.056) 13.685 22.810 ( -2.445 -1.099 2.671) 3.784 22.810 ( 2.445 -1.099 2.671) 3.784 23.367 ( -12.247 10.143 -0.502) 15.910 23.367 ( 12.247 10.143 -0.502) 15.910 24.242 ( -10.893 9.609 -4.971) 15.353 24.242 ( 10.893 9.609 -4.971) 15.353 25.797 ( -5.279 4.221 1.235) 6.871 25.797 ( 5.279 4.221 1.235) 6.871 26.008 ( -24.341 5.707 -0.070) 25.001 26.008 ( 24.341 5.707 -0.070) 25.001 26.869 ( -19.242 -3.065 -1.656) 19.554 26.869 ( 19.242 -3.065 -1.656) 19.554 27.457 ( -2.736 -1.103 0.526) 2.996 27.457 ( 2.736 -1.103 0.526) 2.996 27.967 ( -3.445 -4.962 -0.124) 6.042 27.967 ( 3.445 -4.962 -0.124) 6.042 28.063 ( -4.610 -10.585 -0.662) 11.564 28.063 ( 4.610 -10.585 -0.662) 11.564 28.551 ( -0.736 0.199 -0.923) 1.197 28.551 ( 0.736 0.199 -0.923) 1.197 30.380 ( -10.473 -7.079 1.869) 12.779 30.380 ( 10.473 -7.079 1.869) 12.779 ======================= Grid point 223 (50/50) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -0.000 -0.000 8.451) 8.451 2.751 ( 0.000 0.000 8.451) 8.451 2.895 ( 0.000 0.000 6.149) 6.149 2.895 ( 0.000 0.000 6.149) 6.149 2.953 ( 0.000 0.000 -9.715) 9.715 2.953 ( 0.000 0.000 -9.715) 9.715 3.071 ( 0.000 0.000 -8.365) 8.365 3.071 ( 0.000 0.000 -8.365) 8.365 3.440 ( -0.000 -0.000 10.089) 10.089 3.440 ( 0.000 0.000 10.089) 10.089 3.621 ( 0.000 0.000 14.504) 14.504 3.621 ( 0.000 0.000 14.504) 14.504 4.039 ( -0.000 -0.000 -12.636) 12.636 4.039 ( 0.000 0.000 -12.636) 12.636 4.300 ( -0.000 -0.000 -8.901) 8.901 4.300 ( 0.000 0.000 -8.901) 8.901 4.693 ( -0.000 -0.000 1.782) 1.782 4.693 ( 0.000 0.000 1.782) 1.782 5.102 ( 0.000 0.000 6.698) 6.698 5.102 ( 0.000 0.000 6.698) 6.698 5.335 ( 0.000 0.000 -5.952) 5.952 5.335 ( 0.000 0.000 -5.952) 5.952 5.502 ( 0.000 0.000 0.275) 0.275 5.502 ( 0.000 0.000 0.275) 0.275 6.347 ( 0.000 0.000 0.251) 0.251 6.347 ( 0.000 0.000 0.251) 0.251 8.064 ( 0.000 0.000 6.959) 6.959 8.064 ( 0.000 0.000 6.959) 6.959 8.512 ( 0.000 0.000 4.085) 4.085 8.512 ( 0.000 0.000 4.085) 4.085 8.896 ( 0.000 0.000 -1.244) 1.244 8.896 ( 0.000 0.000 -1.244) 1.244 9.427 ( 0.000 0.000 -2.263) 2.263 9.427 ( 0.000 0.000 -2.263) 2.263 9.986 ( 0.000 0.000 1.116) 1.116 9.986 ( 0.000 0.000 1.116) 1.116 10.071 ( 0.000 0.000 4.416) 4.416 10.071 ( 0.000 0.000 4.416) 4.416 10.844 ( 0.000 0.000 1.776) 1.776 10.844 ( 0.000 0.000 1.776) 1.776 11.104 ( 0.000 0.000 1.292) 1.292 11.104 ( 0.000 0.000 1.292) 1.292 11.540 ( -0.000 -0.000 3.442) 3.442 11.540 ( 0.000 0.000 3.442) 3.442 12.859 ( 0.000 0.000 1.241) 1.241 12.859 ( 0.000 0.000 1.241) 1.241 13.380 ( -0.000 -0.000 -2.439) 2.439 13.380 ( 0.000 0.000 -2.439) 2.439 22.073 ( 0.000 0.000 0.132) 0.132 22.073 ( 0.000 0.000 0.132) 0.132 22.781 ( 0.000 0.000 3.158) 3.158 22.781 ( 0.000 0.000 3.158) 3.158 23.504 ( 0.000 0.000 -0.026) 0.026 23.504 ( 0.000 0.000 -0.026) 0.026 24.348 ( 0.000 0.000 -5.980) 5.980 24.348 ( 0.000 0.000 -5.980) 5.980 25.845 ( 0.000 0.000 1.219) 1.219 25.845 ( 0.000 0.000 1.219) 1.219 26.083 ( -0.000 -0.000 0.818) 0.818 26.083 ( 0.000 0.000 0.818) 0.818 26.849 ( -0.000 -0.000 -2.098) 2.098 26.849 ( 0.000 0.000 -2.098) 2.098 27.446 ( 0.000 0.000 0.381) 0.381 27.446 ( 0.000 0.000 0.381) 0.381 27.834 ( -0.000 -0.000 -3.108) 3.108 27.834 ( 0.000 0.000 -3.108) 3.108 27.964 ( -0.000 -0.000 0.971) 0.971 27.964 ( 0.000 0.000 0.971) 0.971 28.580 ( 0.000 0.000 0.394) 0.394 28.580 ( 0.000 0.000 0.394) 0.394 30.295 ( 0.000 0.000 1.536) 1.536 30.295 ( 0.000 0.000 1.536) 1.536 =================== 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 3/23328 10.0 16442.428 16442.428 17811.293 -0.000 -0.000 0.000 3/23328 20.0 1758.694 1758.694 2335.330 0.000 0.000 0.000 3/23328 30.0 566.858 566.858 710.863 0.000 0.000 0.000 3/23328 40.0 269.756 269.756 327.591 -0.000 0.000 0.000 3/23328 50.0 157.757 157.757 188.130 -0.000 0.000 0.000 3/23328 60.0 104.337 104.337 123.031 -0.000 0.000 0.000 3/23328 70.0 74.922 74.922 87.642 -0.000 -0.000 0.000 3/23328 80.0 57.074 57.074 66.341 -0.000 -0.000 0.000 3/23328 90.0 45.444 45.444 52.536 -0.000 -0.000 0.000 3/23328 100.0 37.434 37.434 43.068 -0.000 -0.000 0.000 3/23328 110.0 31.665 31.665 36.270 -0.000 -0.000 0.000 3/23328 120.0 27.354 27.354 31.203 -0.000 -0.000 0.000 3/23328 130.0 24.031 24.031 27.305 -0.000 -0.000 0.000 3/23328 140.0 21.401 21.401 24.226 -0.000 -0.000 0.000 3/23328 150.0 19.272 19.272 21.738 -0.000 -0.000 0.000 3/23328 160.0 17.516 17.516 19.689 -0.000 -0.000 0.000 3/23328 170.0 16.043 16.043 17.972 -0.000 -0.000 0.000 3/23328 180.0 14.790 14.790 16.514 -0.000 -0.000 0.000 3/23328 190.0 13.711 13.711 15.261 -0.000 -0.000 0.000 3/23328 200.0 12.773 12.773 14.172 -0.000 -0.000 0.000 3/23328 210.0 11.950 11.950 13.218 -0.000 -0.000 0.000 3/23328 220.0 11.222 11.222 12.376 -0.000 -0.000 0.000 3/23328 230.0 10.574 10.574 11.627 -0.000 -0.000 0.000 3/23328 240.0 9.993 9.993 10.957 -0.000 -0.000 0.000 3/23328 250.0 9.471 9.471 10.355 -0.000 -0.000 0.000 3/23328 260.0 8.998 8.998 9.812 -0.000 -0.000 0.000 3/23328 270.0 8.568 8.568 9.319 -0.000 -0.000 0.000 3/23328 280.0 8.176 8.176 8.870 -0.000 -0.000 0.000 3/23328 290.0 7.817 7.817 8.460 -0.000 -0.000 0.000 3/23328 300.0 7.488 7.488 8.085 -0.000 -0.000 0.000 3/23328 310.0 7.184 7.184 7.739 -0.000 -0.000 0.000 3/23328 320.0 6.903 6.903 7.421 -0.000 -0.000 0.000 3/23328 330.0 6.643 6.643 7.127 -0.000 -0.000 0.000 3/23328 340.0 6.402 6.402 6.854 -0.000 -0.000 0.000 3/23328 350.0 6.177 6.177 6.601 -0.000 -0.000 0.000 3/23328 360.0 5.968 5.968 6.365 -0.000 -0.000 0.000 3/23328 370.0 5.772 5.772 6.145 -0.000 -0.000 0.000 3/23328 380.0 5.588 5.588 5.940 -0.000 -0.000 0.000 3/23328 390.0 5.416 5.416 5.748 -0.000 -0.000 0.000 3/23328 400.0 5.254 5.254 5.567 -0.000 -0.000 0.000 3/23328 410.0 5.102 5.102 5.397 -0.000 -0.000 0.000 3/23328 420.0 4.958 4.958 5.238 -0.000 -0.000 0.000 3/23328 430.0 4.822 4.822 5.087 -0.000 -0.000 0.000 3/23328 440.0 4.693 4.693 4.945 -0.000 -0.000 0.000 3/23328 450.0 4.571 4.571 4.810 -0.000 -0.000 0.000 3/23328 460.0 4.456 4.456 4.683 -0.000 -0.000 0.000 3/23328 470.0 4.346 4.346 4.562 -0.000 -0.000 0.000 3/23328 480.0 4.241 4.241 4.448 -0.000 -0.000 0.000 3/23328 490.0 4.142 4.142 4.339 -0.000 -0.000 0.000 3/23328 500.0 4.047 4.047 4.235 -0.000 -0.000 0.000 3/23328 510.0 3.956 3.956 4.136 -0.000 -0.000 0.000 3/23328 520.0 3.870 3.870 4.042 -0.000 -0.000 0.000 3/23328 530.0 3.787 3.787 3.952 -0.000 -0.000 0.000 3/23328 540.0 3.708 3.708 3.866 -0.000 -0.000 0.000 3/23328 550.0 3.632 3.632 3.784 -0.000 -0.000 0.000 3/23328 560.0 3.559 3.559 3.705 -0.000 -0.000 0.000 3/23328 570.0 3.489 3.489 3.630 -0.000 -0.000 0.000 3/23328 580.0 3.422 3.422 3.557 -0.000 -0.000 0.000 3/23328 590.0 3.357 3.357 3.488 -0.000 -0.000 0.000 3/23328 600.0 3.295 3.295 3.421 -0.000 -0.000 0.000 3/23328 610.0 3.236 3.236 3.357 -0.000 -0.000 0.000 3/23328 620.0 3.178 3.178 3.295 -0.000 -0.000 0.000 3/23328 630.0 3.122 3.122 3.235 -0.000 -0.000 0.000 3/23328 640.0 3.069 3.069 3.178 -0.000 -0.000 0.000 3/23328 650.0 3.017 3.017 3.123 -0.000 -0.000 0.000 3/23328 660.0 2.967 2.967 3.069 -0.000 -0.000 0.000 3/23328 670.0 2.919 2.919 3.018 -0.000 -0.000 0.000 3/23328 680.0 2.872 2.872 2.968 -0.000 -0.000 0.000 3/23328 690.0 2.827 2.827 2.920 -0.000 -0.000 0.000 3/23328 700.0 2.783 2.783 2.873 -0.000 -0.000 0.000 3/23328 710.0 2.740 2.740 2.828 -0.000 -0.000 0.000 3/23328 720.0 2.699 2.699 2.784 -0.000 -0.000 0.000 3/23328 730.0 2.659 2.659 2.742 -0.000 -0.000 0.000 3/23328 740.0 2.621 2.621 2.701 -0.000 -0.000 0.000 3/23328 750.0 2.583 2.583 2.661 -0.000 -0.000 0.000 3/23328 760.0 2.546 2.546 2.623 -0.000 -0.000 0.000 3/23328 770.0 2.511 2.511 2.585 -0.000 -0.000 0.000 3/23328 780.0 2.477 2.477 2.549 -0.000 -0.000 0.000 3/23328 790.0 2.443 2.443 2.514 -0.000 -0.000 0.000 3/23328 800.0 2.410 2.410 2.479 -0.000 -0.000 0.000 3/23328 810.0 2.379 2.379 2.446 -0.000 -0.000 0.000 3/23328 820.0 2.348 2.348 2.413 -0.000 -0.000 0.000 3/23328 830.0 2.318 2.318 2.382 -0.000 -0.000 0.000 3/23328 840.0 2.288 2.288 2.351 -0.000 -0.000 0.000 3/23328 850.0 2.260 2.260 2.321 -0.000 -0.000 0.000 3/23328 860.0 2.232 2.232 2.292 -0.000 -0.000 0.000 3/23328 870.0 2.205 2.205 2.263 -0.000 -0.000 0.000 3/23328 880.0 2.178 2.178 2.236 -0.000 -0.000 0.000 3/23328 890.0 2.153 2.153 2.209 -0.000 -0.000 0.000 3/23328 900.0 2.127 2.127 2.182 -0.000 -0.000 0.000 3/23328 910.0 2.103 2.103 2.156 -0.000 -0.000 0.000 3/23328 920.0 2.079 2.079 2.131 -0.000 -0.000 0.000 3/23328 930.0 2.055 2.055 2.107 -0.000 -0.000 0.000 3/23328 940.0 2.032 2.032 2.083 -0.000 -0.000 0.000 3/23328 950.0 2.010 2.010 2.059 -0.000 -0.000 0.000 3/23328 960.0 1.988 1.988 2.036 -0.000 -0.000 0.000 3/23328 970.0 1.966 1.966 2.014 -0.000 -0.000 0.000 3/23328 980.0 1.945 1.945 1.992 -0.000 -0.000 0.000 3/23328 990.0 1.925 1.925 1.971 -0.000 -0.000 0.000 3/23328 1000.0 1.905 1.905 1.950 -0.000 -0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:57:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|