----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:03]------------------------- 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: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.673557489999999 2.673557489999999 3.620772815000000 b 2.673557489999999 -2.673557489999999 3.620772815000000 c 2.673557489999999 2.673557489999999 -3.620772815000000 Atomic positions (fractional): *1 B 0.63824407489605 0.13824407489605 0.77648814979209 10.811 2 B 0.13824407489605 0.36175592510395 0.50000000000000 10.811 3 B 0.86175592510395 0.63824407489605 0.50000000000000 10.811 4 B 0.36175592510395 0.86175592510395 0.22351185020791 10.811 *5 C 0.34016695817576 0.15983304182424 0.50000000000000 12.011 6 C 0.84016695817576 0.34016695817576 0.18033391635152 12.011 7 C 0.65983304182424 0.84016695817576 0.50000000000000 12.011 8 C 0.15983304182424 0.65983304182424 0.81966608364848 12.011 *9 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 10 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.347114979999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.347114979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.241545630000000 Atomic positions (fractional): *1 B 0.13824407489605 0.63824407489605 0.00000000000000 10.811 > 1 2 B 0.36175592510395 0.13824407489605 0.00000000000000 10.811 > 2 3 B 0.13824407489605 0.36175592510395 0.50000000000000 10.811 > 3 4 B 0.36175592510395 0.86175592510395 0.50000000000000 10.811 > 4 5 B 0.63824407489605 0.13824407489605 0.50000000000000 10.811 > 1 6 B 0.86175592510395 0.63824407489605 0.50000000000000 10.811 > 2 7 B 0.63824407489605 0.86175592510395 0.00000000000000 10.811 > 3 8 B 0.86175592510395 0.36175592510395 0.00000000000000 10.811 > 4 *9 C 0.15983304182424 0.34016695817576 0.00000000000000 12.011 > 5 10 C 0.84016695817576 0.34016695817576 0.50000000000000 12.011 > 6 11 C 0.34016695817576 0.15983304182424 0.50000000000000 12.011 > 7 12 C 0.65983304182424 0.15983304182424 0.00000000000000 12.011 > 8 13 C 0.65983304182424 0.84016695817576 0.50000000000000 12.011 > 5 14 C 0.34016695817576 0.84016695817576 0.00000000000000 12.011 > 6 15 C 0.84016695817576 0.65983304182424 0.00000000000000 12.011 > 7 16 C 0.15983304182424 0.65983304182424 0.50000000000000 12.011 > 8 *17 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 9 18 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 10 19 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 9 20 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.694229959999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.694229959999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.241545630000000 Atomic positions (fractional): *1 B 0.06912203744802 0.31912203744802 0.00000000000000 10.811 > 1 2 B 0.56912203744802 0.31912203744802 0.00000000000000 10.811 > 1 3 B 0.06912203744802 0.81912203744802 0.00000000000000 10.811 > 1 4 B 0.56912203744802 0.81912203744802 0.00000000000000 10.811 > 1 5 B 0.18087796255198 0.06912203744802 0.00000000000000 10.811 > 2 6 B 0.68087796255198 0.06912203744802 0.00000000000000 10.811 > 2 7 B 0.18087796255198 0.56912203744802 0.00000000000000 10.811 > 2 8 B 0.68087796255198 0.56912203744802 0.00000000000000 10.811 > 2 9 B 0.06912203744802 0.18087796255198 0.50000000000000 10.811 > 3 10 B 0.56912203744802 0.18087796255198 0.50000000000000 10.811 > 3 11 B 0.06912203744802 0.68087796255198 0.50000000000000 10.811 > 3 12 B 0.56912203744802 0.68087796255198 0.50000000000000 10.811 > 3 13 B 0.18087796255198 0.43087796255198 0.50000000000000 10.811 > 4 14 B 0.68087796255198 0.43087796255198 0.50000000000000 10.811 > 4 15 B 0.18087796255198 0.93087796255198 0.50000000000000 10.811 > 4 16 B 0.68087796255198 0.93087796255198 0.50000000000000 10.811 > 4 17 B 0.31912203744802 0.06912203744802 0.50000000000000 10.811 > 1 18 B 0.81912203744802 0.06912203744802 0.50000000000000 10.811 > 1 19 B 0.31912203744802 0.56912203744802 0.50000000000000 10.811 > 1 20 B 0.81912203744802 0.56912203744802 0.50000000000000 10.811 > 1 21 B 0.43087796255198 0.31912203744802 0.50000000000000 10.811 > 2 22 B 0.93087796255198 0.31912203744802 0.50000000000000 10.811 > 2 23 B 0.43087796255198 0.81912203744802 0.50000000000000 10.811 > 2 24 B 0.93087796255198 0.81912203744802 0.50000000000000 10.811 > 2 25 B 0.31912203744802 0.43087796255198 0.00000000000000 10.811 > 3 26 B 0.81912203744802 0.43087796255198 0.00000000000000 10.811 > 3 27 B 0.31912203744802 0.93087796255198 0.00000000000000 10.811 > 3 28 B 0.81912203744802 0.93087796255198 0.00000000000000 10.811 > 3 29 B 0.43087796255198 0.18087796255198 0.00000000000000 10.811 > 4 30 B 0.93087796255198 0.18087796255198 0.00000000000000 10.811 > 4 31 B 0.43087796255198 0.68087796255198 0.00000000000000 10.811 > 4 32 B 0.93087796255198 0.68087796255198 0.00000000000000 10.811 > 4 *33 C 0.07991652091212 0.17008347908788 0.00000000000000 12.011 > 5 34 C 0.57991652091212 0.17008347908788 0.00000000000000 12.011 > 5 35 C 0.07991652091212 0.67008347908788 0.00000000000000 12.011 > 5 36 C 0.57991652091212 0.67008347908788 0.00000000000000 12.011 > 5 37 C 0.42008347908788 0.17008347908788 0.50000000000000 12.011 > 6 38 C 0.92008347908788 0.17008347908788 0.50000000000000 12.011 > 6 39 C 0.42008347908788 0.67008347908788 0.50000000000000 12.011 > 6 40 C 0.92008347908788 0.67008347908788 0.50000000000000 12.011 > 6 41 C 0.17008347908788 0.07991652091212 0.50000000000000 12.011 > 7 42 C 0.67008347908788 0.07991652091212 0.50000000000000 12.011 > 7 43 C 0.17008347908788 0.57991652091212 0.50000000000000 12.011 > 7 44 C 0.67008347908788 0.57991652091212 0.50000000000000 12.011 > 7 45 C 0.32991652091212 0.07991652091212 0.00000000000000 12.011 > 8 46 C 0.82991652091212 0.07991652091212 0.00000000000000 12.011 > 8 47 C 0.32991652091212 0.57991652091212 0.00000000000000 12.011 > 8 48 C 0.82991652091212 0.57991652091212 0.00000000000000 12.011 > 8 49 C 0.32991652091212 0.42008347908788 0.50000000000000 12.011 > 5 50 C 0.82991652091212 0.42008347908788 0.50000000000000 12.011 > 5 51 C 0.32991652091212 0.92008347908788 0.50000000000000 12.011 > 5 52 C 0.82991652091212 0.92008347908788 0.50000000000000 12.011 > 5 53 C 0.17008347908788 0.42008347908788 0.00000000000000 12.011 > 6 54 C 0.67008347908788 0.42008347908788 0.00000000000000 12.011 > 6 55 C 0.17008347908788 0.92008347908788 0.00000000000000 12.011 > 6 56 C 0.67008347908788 0.92008347908788 0.00000000000000 12.011 > 6 57 C 0.42008347908788 0.32991652091212 0.00000000000000 12.011 > 7 58 C 0.92008347908788 0.32991652091212 0.00000000000000 12.011 > 7 59 C 0.42008347908788 0.82991652091212 0.00000000000000 12.011 > 7 60 C 0.92008347908788 0.82991652091212 0.00000000000000 12.011 > 7 61 C 0.07991652091212 0.32991652091212 0.50000000000000 12.011 > 8 62 C 0.57991652091212 0.32991652091212 0.50000000000000 12.011 > 8 63 C 0.07991652091212 0.82991652091212 0.50000000000000 12.011 > 8 64 C 0.57991652091212 0.82991652091212 0.50000000000000 12.011 > 8 *65 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 9 66 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 9 67 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 9 68 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 9 69 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 10 70 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 10 71 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 10 72 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 10 73 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 9 74 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 9 75 Ca 0.25000000000000 0.75000000000000 0.25000000000000 40.078 > 9 76 Ca 0.75000000000000 0.75000000000000 0.25000000000000 40.078 > 9 77 Ca 0.25000000000000 0.25000000000000 0.75000000000000 40.078 > 10 78 Ca 0.75000000000000 0.25000000000000 0.75000000000000 40.078 > 10 79 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 10 80 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.2247212 0.0000000 0.0000000 0.0000000 17.2247212 0.0000000 0.0000000 0.0000000 11.1071035 -------------------------- Born effective charges -------------------------- 1 B 3.5988996 1.1384499 0.0000000 1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 2 B 3.5988996 -1.1384499 0.0000000 -1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 3 B 3.5988996 -1.1384499 0.0000000 -1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 4 B 3.5988996 1.1384499 0.0000000 1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 5 C -4.4312979 1.2581495 0.0000000 1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 6 C -4.4312979 -1.2581495 0.0000000 -1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 7 C -4.4312979 1.2581495 0.0000000 1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 8 C -4.4312979 -1.2581495 0.0000000 -1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 9 Ca 1.6647967 0.0000000 0.0000000 0.0000000 1.6647967 0.0000000 0.0000000 0.0000000 2.9026232 10 Ca 1.6647967 0.0000000 0.0000000 0.0000000 1.6647967 0.0000000 0.0000000 0.0000000 2.9026232 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 304 Number of blocks in projector: 304 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: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (304, 296), data: False |-- (34, 34), data: True |-- (70, 67), data: True |-- (90, 88), data: True |-- (110, 107), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.134 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.139 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 304 Number of blocks in projector: 304 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: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (304, 296), data: False |-- (34, 34), data: True |-- (70, 67), data: True |-- (90, 88), data: True |-- (110, 107), 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 2026-01-07 23:40:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:07]------------------------- 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): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.673557489999999 2.673557489999999 3.620772815000000 b 2.673557489999999 -2.673557489999999 3.620772815000000 c 2.673557489999999 2.673557489999999 -3.620772815000000 Atomic positions (fractional): 1 B 0.63824407489605 0.13824407489605 0.77648814979209 10.811 2 B 0.13824407489605 0.36175592510395 0.50000000000000 10.811 3 B 0.86175592510395 0.63824407489605 0.50000000000000 10.811 4 B 0.36175592510395 0.86175592510395 0.22351185020791 10.811 5 C 0.34016695817576 0.15983304182424 0.50000000000000 12.011 6 C 0.84016695817576 0.34016695817576 0.18033391635152 12.011 7 C 0.65983304182424 0.84016695817576 0.50000000000000 12.011 8 C 0.15983304182424 0.65983304182424 0.81966608364848 12.011 9 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 10 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.694229959999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.694229959999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.241545630000000 Atomic positions (fractional): 1 B 0.06912203744802 0.31912203744802 0.00000000000000 10.811 > 1 2 B 0.56912203744802 0.31912203744802 0.00000000000000 10.811 > 1 3 B 0.06912203744802 0.81912203744802 0.00000000000000 10.811 > 1 4 B 0.56912203744802 0.81912203744802 0.00000000000000 10.811 > 1 5 B 0.18087796255198 0.06912203744802 0.00000000000000 10.811 > 5 6 B 0.68087796255198 0.06912203744802 0.00000000000000 10.811 > 5 7 B 0.18087796255198 0.56912203744802 0.00000000000000 10.811 > 5 8 B 0.68087796255198 0.56912203744802 0.00000000000000 10.811 > 5 9 B 0.06912203744802 0.18087796255198 0.50000000000000 10.811 > 9 10 B 0.56912203744802 0.18087796255198 0.50000000000000 10.811 > 9 11 B 0.06912203744802 0.68087796255198 0.50000000000000 10.811 > 9 12 B 0.56912203744802 0.68087796255198 0.50000000000000 10.811 > 9 13 B 0.18087796255198 0.43087796255198 0.50000000000000 10.811 > 13 14 B 0.68087796255198 0.43087796255198 0.50000000000000 10.811 > 13 15 B 0.18087796255198 0.93087796255198 0.50000000000000 10.811 > 13 16 B 0.68087796255198 0.93087796255198 0.50000000000000 10.811 > 13 17 B 0.31912203744802 0.06912203744802 0.50000000000000 10.811 > 1 18 B 0.81912203744802 0.06912203744802 0.50000000000000 10.811 > 1 19 B 0.31912203744802 0.56912203744802 0.50000000000000 10.811 > 1 20 B 0.81912203744802 0.56912203744802 0.50000000000000 10.811 > 1 21 B 0.43087796255198 0.31912203744802 0.50000000000000 10.811 > 5 22 B 0.93087796255198 0.31912203744802 0.50000000000000 10.811 > 5 23 B 0.43087796255198 0.81912203744802 0.50000000000000 10.811 > 5 24 B 0.93087796255198 0.81912203744802 0.50000000000000 10.811 > 5 25 B 0.31912203744802 0.43087796255198 0.00000000000000 10.811 > 9 26 B 0.81912203744802 0.43087796255198 0.00000000000000 10.811 > 9 27 B 0.31912203744802 0.93087796255198 0.00000000000000 10.811 > 9 28 B 0.81912203744802 0.93087796255198 0.00000000000000 10.811 > 9 29 B 0.43087796255198 0.18087796255198 0.00000000000000 10.811 > 13 30 B 0.93087796255198 0.18087796255198 0.00000000000000 10.811 > 13 31 B 0.43087796255198 0.68087796255198 0.00000000000000 10.811 > 13 32 B 0.93087796255198 0.68087796255198 0.00000000000000 10.811 > 13 33 C 0.07991652091212 0.17008347908788 0.00000000000000 12.011 > 33 34 C 0.57991652091212 0.17008347908788 0.00000000000000 12.011 > 33 35 C 0.07991652091212 0.67008347908788 0.00000000000000 12.011 > 33 36 C 0.57991652091212 0.67008347908788 0.00000000000000 12.011 > 33 37 C 0.42008347908788 0.17008347908788 0.50000000000000 12.011 > 37 38 C 0.92008347908788 0.17008347908788 0.50000000000000 12.011 > 37 39 C 0.42008347908788 0.67008347908788 0.50000000000000 12.011 > 37 40 C 0.92008347908788 0.67008347908788 0.50000000000000 12.011 > 37 41 C 0.17008347908788 0.07991652091212 0.50000000000000 12.011 > 41 42 C 0.67008347908788 0.07991652091212 0.50000000000000 12.011 > 41 43 C 0.17008347908788 0.57991652091212 0.50000000000000 12.011 > 41 44 C 0.67008347908788 0.57991652091212 0.50000000000000 12.011 > 41 45 C 0.32991652091212 0.07991652091212 0.00000000000000 12.011 > 45 46 C 0.82991652091212 0.07991652091212 0.00000000000000 12.011 > 45 47 C 0.32991652091212 0.57991652091212 0.00000000000000 12.011 > 45 48 C 0.82991652091212 0.57991652091212 0.00000000000000 12.011 > 45 49 C 0.32991652091212 0.42008347908788 0.50000000000000 12.011 > 33 50 C 0.82991652091212 0.42008347908788 0.50000000000000 12.011 > 33 51 C 0.32991652091212 0.92008347908788 0.50000000000000 12.011 > 33 52 C 0.82991652091212 0.92008347908788 0.50000000000000 12.011 > 33 53 C 0.17008347908788 0.42008347908788 0.00000000000000 12.011 > 37 54 C 0.67008347908788 0.42008347908788 0.00000000000000 12.011 > 37 55 C 0.17008347908788 0.92008347908788 0.00000000000000 12.011 > 37 56 C 0.67008347908788 0.92008347908788 0.00000000000000 12.011 > 37 57 C 0.42008347908788 0.32991652091212 0.00000000000000 12.011 > 41 58 C 0.92008347908788 0.32991652091212 0.00000000000000 12.011 > 41 59 C 0.42008347908788 0.82991652091212 0.00000000000000 12.011 > 41 60 C 0.92008347908788 0.82991652091212 0.00000000000000 12.011 > 41 61 C 0.07991652091212 0.32991652091212 0.50000000000000 12.011 > 45 62 C 0.57991652091212 0.32991652091212 0.50000000000000 12.011 > 45 63 C 0.07991652091212 0.82991652091212 0.50000000000000 12.011 > 45 64 C 0.57991652091212 0.82991652091212 0.50000000000000 12.011 > 45 65 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 65 66 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 65 67 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 65 68 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 65 69 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 69 70 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 69 71 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 69 72 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 69 73 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 65 74 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 65 75 Ca 0.25000000000000 0.75000000000000 0.25000000000000 40.078 > 65 76 Ca 0.75000000000000 0.75000000000000 0.25000000000000 40.078 > 65 77 Ca 0.25000000000000 0.25000000000000 0.75000000000000 40.078 > 69 78 Ca 0.75000000000000 0.25000000000000 0.75000000000000 40.078 > 69 79 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 69 80 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.2247212 0.0000000 0.0000000 0.0000000 17.2247212 0.0000000 0.0000000 0.0000000 11.1071035 -------------------------- Born effective charges -------------------------- 1 B 3.5988996 1.1384499 0.0000000 1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 2 B 3.5988996 -1.1384499 0.0000000 -1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 3 B 3.5988996 -1.1384499 0.0000000 -1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 4 B 3.5988996 1.1384499 0.0000000 1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 5 C -4.4312979 1.2581495 0.0000000 1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 6 C -4.4312979 -1.2581495 0.0000000 -1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 7 C -4.4312979 1.2581495 0.0000000 1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 8 C -4.4312979 -1.2581495 0.0000000 -1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 9 Ca 1.6647967 0.0000000 0.0000000 0.0000000 1.6647967 0.0000000 0.0000000 0.0000000 2.9026232 10 Ca 1.6647967 0.0000000 0.0000000 0.0000000 1.6647967 0.0000000 0.0000000 0.0000000 2.9026232 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): 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 2026-01-07 23:40:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:11]------------------------- 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): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.673557489999999 2.673557489999999 3.620772815000000 b 2.673557489999999 -2.673557489999999 3.620772815000000 c 2.673557489999999 2.673557489999999 -3.620772815000000 Atomic positions (fractional): 1 B 0.63824407489605 0.13824407489605 0.77648814979209 10.811 2 B 0.13824407489605 0.36175592510395 0.50000000000000 10.811 3 B 0.86175592510395 0.63824407489605 0.50000000000000 10.811 4 B 0.36175592510395 0.86175592510395 0.22351185020791 10.811 5 C 0.34016695817576 0.15983304182424 0.50000000000000 12.011 6 C 0.84016695817576 0.34016695817576 0.18033391635152 12.011 7 C 0.65983304182424 0.84016695817576 0.50000000000000 12.011 8 C 0.15983304182424 0.65983304182424 0.81966608364848 12.011 9 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 10 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.694229959999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.694229959999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.241545630000000 Atomic positions (fractional): 1 B 0.06912203744802 0.31912203744802 0.00000000000000 10.811 > 1 2 B 0.56912203744802 0.31912203744802 0.00000000000000 10.811 > 1 3 B 0.06912203744802 0.81912203744802 0.00000000000000 10.811 > 1 4 B 0.56912203744802 0.81912203744802 0.00000000000000 10.811 > 1 5 B 0.18087796255198 0.06912203744802 0.00000000000000 10.811 > 5 6 B 0.68087796255198 0.06912203744802 0.00000000000000 10.811 > 5 7 B 0.18087796255198 0.56912203744802 0.00000000000000 10.811 > 5 8 B 0.68087796255198 0.56912203744802 0.00000000000000 10.811 > 5 9 B 0.06912203744802 0.18087796255198 0.50000000000000 10.811 > 9 10 B 0.56912203744802 0.18087796255198 0.50000000000000 10.811 > 9 11 B 0.06912203744802 0.68087796255198 0.50000000000000 10.811 > 9 12 B 0.56912203744802 0.68087796255198 0.50000000000000 10.811 > 9 13 B 0.18087796255198 0.43087796255198 0.50000000000000 10.811 > 13 14 B 0.68087796255198 0.43087796255198 0.50000000000000 10.811 > 13 15 B 0.18087796255198 0.93087796255198 0.50000000000000 10.811 > 13 16 B 0.68087796255198 0.93087796255198 0.50000000000000 10.811 > 13 17 B 0.31912203744802 0.06912203744802 0.50000000000000 10.811 > 1 18 B 0.81912203744802 0.06912203744802 0.50000000000000 10.811 > 1 19 B 0.31912203744802 0.56912203744802 0.50000000000000 10.811 > 1 20 B 0.81912203744802 0.56912203744802 0.50000000000000 10.811 > 1 21 B 0.43087796255198 0.31912203744802 0.50000000000000 10.811 > 5 22 B 0.93087796255198 0.31912203744802 0.50000000000000 10.811 > 5 23 B 0.43087796255198 0.81912203744802 0.50000000000000 10.811 > 5 24 B 0.93087796255198 0.81912203744802 0.50000000000000 10.811 > 5 25 B 0.31912203744802 0.43087796255198 0.00000000000000 10.811 > 9 26 B 0.81912203744802 0.43087796255198 0.00000000000000 10.811 > 9 27 B 0.31912203744802 0.93087796255198 0.00000000000000 10.811 > 9 28 B 0.81912203744802 0.93087796255198 0.00000000000000 10.811 > 9 29 B 0.43087796255198 0.18087796255198 0.00000000000000 10.811 > 13 30 B 0.93087796255198 0.18087796255198 0.00000000000000 10.811 > 13 31 B 0.43087796255198 0.68087796255198 0.00000000000000 10.811 > 13 32 B 0.93087796255198 0.68087796255198 0.00000000000000 10.811 > 13 33 C 0.07991652091212 0.17008347908788 0.00000000000000 12.011 > 33 34 C 0.57991652091212 0.17008347908788 0.00000000000000 12.011 > 33 35 C 0.07991652091212 0.67008347908788 0.00000000000000 12.011 > 33 36 C 0.57991652091212 0.67008347908788 0.00000000000000 12.011 > 33 37 C 0.42008347908788 0.17008347908788 0.50000000000000 12.011 > 37 38 C 0.92008347908788 0.17008347908788 0.50000000000000 12.011 > 37 39 C 0.42008347908788 0.67008347908788 0.50000000000000 12.011 > 37 40 C 0.92008347908788 0.67008347908788 0.50000000000000 12.011 > 37 41 C 0.17008347908788 0.07991652091212 0.50000000000000 12.011 > 41 42 C 0.67008347908788 0.07991652091212 0.50000000000000 12.011 > 41 43 C 0.17008347908788 0.57991652091212 0.50000000000000 12.011 > 41 44 C 0.67008347908788 0.57991652091212 0.50000000000000 12.011 > 41 45 C 0.32991652091212 0.07991652091212 0.00000000000000 12.011 > 45 46 C 0.82991652091212 0.07991652091212 0.00000000000000 12.011 > 45 47 C 0.32991652091212 0.57991652091212 0.00000000000000 12.011 > 45 48 C 0.82991652091212 0.57991652091212 0.00000000000000 12.011 > 45 49 C 0.32991652091212 0.42008347908788 0.50000000000000 12.011 > 33 50 C 0.82991652091212 0.42008347908788 0.50000000000000 12.011 > 33 51 C 0.32991652091212 0.92008347908788 0.50000000000000 12.011 > 33 52 C 0.82991652091212 0.92008347908788 0.50000000000000 12.011 > 33 53 C 0.17008347908788 0.42008347908788 0.00000000000000 12.011 > 37 54 C 0.67008347908788 0.42008347908788 0.00000000000000 12.011 > 37 55 C 0.17008347908788 0.92008347908788 0.00000000000000 12.011 > 37 56 C 0.67008347908788 0.92008347908788 0.00000000000000 12.011 > 37 57 C 0.42008347908788 0.32991652091212 0.00000000000000 12.011 > 41 58 C 0.92008347908788 0.32991652091212 0.00000000000000 12.011 > 41 59 C 0.42008347908788 0.82991652091212 0.00000000000000 12.011 > 41 60 C 0.92008347908788 0.82991652091212 0.00000000000000 12.011 > 41 61 C 0.07991652091212 0.32991652091212 0.50000000000000 12.011 > 45 62 C 0.57991652091212 0.32991652091212 0.50000000000000 12.011 > 45 63 C 0.07991652091212 0.82991652091212 0.50000000000000 12.011 > 45 64 C 0.57991652091212 0.82991652091212 0.50000000000000 12.011 > 45 65 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 65 66 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 65 67 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 65 68 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 65 69 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 69 70 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 69 71 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 69 72 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 69 73 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 65 74 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 65 75 Ca 0.25000000000000 0.75000000000000 0.25000000000000 40.078 > 65 76 Ca 0.75000000000000 0.75000000000000 0.25000000000000 40.078 > 65 77 Ca 0.25000000000000 0.25000000000000 0.75000000000000 40.078 > 69 78 Ca 0.75000000000000 0.25000000000000 0.75000000000000 40.078 > 69 79 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 69 80 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 17.2247212 0.0000000 0.0000000 0.0000000 17.2247212 0.0000000 0.0000000 0.0000000 11.1071035 -------------------------- Born effective charges -------------------------- 1 B 3.5988996 1.1384499 0.0000000 1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 2 B 3.5988996 -1.1384499 0.0000000 -1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 3 B 3.5988996 -1.1384499 0.0000000 -1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 4 B 3.5988996 1.1384499 0.0000000 1.1384499 3.5988996 0.0000000 0.0000000 0.0000000 0.5721152 5 C -4.4312979 1.2581495 0.0000000 1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 6 C -4.4312979 -1.2581495 0.0000000 -1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 7 C -4.4312979 1.2581495 0.0000000 1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 8 C -4.4312979 -1.2581495 0.0000000 -1.2581495 -4.4312979 0.0000000 0.0000000 0.0000000 -2.0234268 9 Ca 1.6647967 0.0000000 0.0000000 0.0000000 1.6647967 0.0000000 0.0000000 0.0000000 2.9026232 10 Ca 1.6647967 0.0000000 0.0000000 0.0000000 1.6647967 0.0000000 0.0000000 0.0000000 2.9026232 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy) 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 ... Generalized regular grid: [ 1 9 126 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 7 7 0 ] 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: 0.88, Number of G-points: 315, Lambda: 0.36 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 120 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 6.203 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 17.535 ( 0.000 0.000 0.000) 0.000 17.535 ( 0.000 0.000 0.000) 0.000 19.058 ( 0.000 0.000 0.000) 0.000 20.107 ( 0.000 0.000 0.000) 0.000 20.943 ( 0.000 0.000 0.000) 0.000 23.584 ( 0.000 0.000 0.000) 0.000 23.978 ( 0.000 0.000 0.000) 0.000 23.978 ( 0.000 0.000 0.000) 0.000 26.316 ( 0.000 0.000 0.000) 0.000 27.101 ( 0.000 0.000 0.000) 0.000 28.683 ( 0.000 0.000 0.000) 0.000 28.683 ( 0.000 0.000 0.000) 0.000 29.120 ( 0.000 0.000 0.000) 0.000 33.913 ( 0.000 0.000 0.000) 0.000 33.913 ( 0.000 0.000 0.000) 0.000 35.319 ( 0.000 0.000 0.000) 0.000 39.312 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 31.940 31.940 0.000) 45.171 1.711 ( 42.739 42.739 0.000) 60.442 3.814 ( 75.735 75.735 0.000) 107.105 5.923 ( -12.024 -12.024 0.000) 17.004 6.127 ( -3.465 -3.465 0.000) 4.900 6.777 ( -0.216 -0.216 0.000) 0.305 7.316 ( -4.993 -4.993 0.000) 7.061 7.684 ( 6.095 6.095 0.000) 8.620 8.006 ( 2.345 2.345 0.000) 3.316 9.037 ( 40.938 40.938 0.000) 57.895 9.708 ( -0.420 -0.420 0.000) 0.594 9.848 ( 3.965 3.965 0.000) 5.607 10.829 ( 33.743 33.743 0.000) 47.720 17.380 ( -5.643 -5.643 0.000) 7.980 17.638 ( 4.848 4.848 0.000) 6.856 18.122 ( -43.283 -43.283 0.000) 61.212 20.290 ( 7.780 7.780 0.000) 11.002 20.946 ( 0.235 0.235 0.000) 0.332 22.884 ( -30.518 -30.518 0.000) 43.158 23.575 ( -19.878 -19.878 0.000) 28.111 23.750 ( -9.117 -9.117 0.000) 12.894 26.345 ( 2.078 2.078 0.000) 2.938 26.947 ( -3.395 -3.395 0.000) 4.801 28.237 ( -24.965 -24.965 0.000) 35.306 29.401 ( 27.079 27.079 0.000) 38.295 29.858 ( 29.044 29.044 0.000) 41.074 33.931 ( 0.670 0.670 0.000) 0.947 35.467 ( 4.824 4.824 0.000) 6.823 38.134 ( 5.418 5.418 0.000) 7.663 39.137 ( -7.518 -7.518 0.000) 10.632 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 28.849 28.849 0.000) 40.799 3.489 ( 40.775 40.775 0.000) 57.664 5.331 ( -15.224 -15.224 0.000) 21.531 5.947 ( -4.701 -4.701 0.000) 6.648 5.956 ( 31.138 31.138 0.000) 44.036 6.783 ( 0.687 0.687 0.000) 0.971 7.077 ( -6.228 -6.228 0.000) 8.808 7.937 ( 5.239 5.239 0.000) 7.409 8.258 ( 11.419 11.419 0.000) 16.149 9.648 ( -2.816 -2.816 0.000) 3.983 9.770 ( -10.291 -10.291 0.000) 14.553 11.726 ( 82.067 82.067 0.000) 116.060 12.630 ( 49.931 49.931 0.000) 70.613 15.739 ( -67.120 -67.120 0.000) 94.922 17.267 ( 2.094 2.094 0.000) 2.962 17.918 ( 8.175 8.175 0.000) 11.561 20.649 ( 8.081 8.081 0.000) 11.429 20.976 ( 1.687 1.687 0.000) 2.385 21.267 ( -45.021 -45.021 0.000) 63.669 22.446 ( -32.910 -32.910 0.000) 46.541 23.420 ( -6.370 -6.370 0.000) 9.009 26.481 ( 3.831 3.831 0.000) 5.419 26.882 ( -0.369 -0.369 0.000) 0.521 26.903 ( -37.577 -37.577 0.000) 53.142 30.545 ( 25.804 25.804 0.000) 36.493 31.125 ( 28.199 28.199 0.000) 39.879 33.950 ( 0.060 0.060 0.000) 0.085 35.470 ( -7.010 -7.010 0.000) 9.913 38.449 ( 8.957 8.957 0.000) 12.667 38.843 ( -4.079 -4.079 0.000) 5.768 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 27.578 27.578 0.000) 39.001 4.734 ( -12.694 -12.694 0.000) 17.951 4.876 ( 23.882 23.882 0.000) 33.775 5.780 ( -2.938 -2.938 0.000) 4.155 6.798 ( -7.159 -7.159 0.000) 10.124 6.835 ( 1.618 1.618 0.000) 2.288 6.838 ( 14.258 14.258 0.000) 20.164 8.096 ( 2.499 2.499 0.000) 3.534 8.964 ( -26.364 -26.364 0.000) 37.284 9.075 ( 27.702 27.702 0.000) 39.177 9.474 ( -5.105 -5.105 0.000) 7.219 12.881 ( -63.905 -63.905 0.000) 90.375 14.788 ( 52.258 52.258 0.000) 73.904 15.269 ( 81.373 81.373 0.000) 115.078 17.562 ( 10.434 10.434 0.000) 14.756 18.268 ( 7.928 7.928 0.000) 11.212 19.320 ( -46.248 -46.248 0.000) 65.405 20.824 ( 0.468 0.468 0.000) 0.662 20.919 ( -39.923 -39.923 0.000) 56.459 21.162 ( 6.538 6.538 0.000) 9.246 23.208 ( -3.994 -3.994 0.000) 5.648 25.212 ( -42.828 -42.828 0.000) 60.567 26.622 ( 2.654 2.654 0.000) 3.753 26.881 ( 0.151 0.151 0.000) 0.214 31.446 ( 16.935 16.935 0.000) 23.950 32.004 ( 13.064 13.064 0.000) 18.475 33.930 ( -0.908 -0.908 0.000) 1.284 34.903 ( -17.226 -17.226 0.000) 24.361 38.708 ( 3.444 3.444 0.000) 4.871 38.992 ( 9.623 9.623 0.000) 13.608 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( -5.158 -5.158 0.000) 7.294 4.871 ( 18.746 18.746 0.000) 26.510 5.473 ( 6.243 6.243 0.000) 8.829 5.709 ( -0.653 -0.653 0.000) 0.923 6.501 ( -6.430 -6.430 0.000) 9.094 6.894 ( 0.887 0.887 0.000) 1.255 7.237 ( 5.064 5.064 0.000) 7.162 7.915 ( -18.099 -18.099 0.000) 25.595 8.160 ( 0.699 0.699 0.000) 0.989 9.289 ( -2.852 -2.852 0.000) 4.033 10.227 ( 20.252 20.252 0.000) 28.641 10.823 ( -28.882 -28.882 0.000) 40.845 16.839 ( 43.088 43.088 0.000) 60.935 17.736 ( -24.180 -24.180 0.000) 34.195 17.944 ( 5.826 5.826 0.000) 8.239 18.110 ( 46.421 46.421 0.000) 65.649 18.515 ( 3.316 3.316 0.000) 4.690 19.217 ( -38.876 -38.876 0.000) 54.979 20.800 ( -0.761 -0.761 0.000) 1.076 21.380 ( 3.041 3.041 0.000) 4.301 23.091 ( -1.518 -1.518 0.000) 2.147 23.541 ( -31.072 -31.072 0.000) 43.943 26.693 ( 0.782 0.782 0.000) 1.106 26.888 ( 0.155 0.155 0.000) 0.219 31.922 ( 5.803 5.803 0.000) 8.207 32.246 ( 0.724 0.724 0.000) 1.024 33.893 ( -0.608 -0.608 0.000) 0.859 34.346 ( -7.241 -7.241 0.000) 10.241 38.826 ( 1.758 1.758 0.000) 2.486 39.337 ( 5.101 5.101 0.000) 7.214 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.44 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.514 ( 0.000 18.735 16.429) 24.918 5.048 ( -0.000 -15.125 -3.094) 15.438 5.706 ( 0.000 20.277 5.543) 21.020 6.050 ( -0.000 -8.166 -0.407) 8.176 6.393 ( 0.000 4.334 8.521) 9.560 6.551 ( -0.000 4.765 -9.898) 10.985 7.531 ( 0.000 -9.314 12.601) 15.670 7.632 ( -0.000 2.112 -8.286) 8.551 9.770 ( -0.000 6.705 -2.938) 7.321 9.866 ( -0.000 -3.234 -0.576) 3.285 10.265 ( 0.000 59.611 -3.896) 59.738 11.335 ( -0.000 -40.609 1.902) 40.653 14.063 ( 0.000 123.810 -0.588) 123.811 16.690 ( -0.000 -125.818 -0.308) 125.819 17.277 ( 0.000 0.719 -0.154) 0.735 17.325 ( -0.000 -2.409 -1.314) 2.744 17.973 ( 0.000 55.628 -0.104) 55.628 19.367 ( -0.000 -74.190 0.394) 74.191 20.934 ( -0.000 14.674 -6.736) 16.146 21.055 ( 0.000 -11.150 8.219) 13.852 25.988 ( 0.000 -0.159 0.971) 0.984 26.086 ( -0.000 -6.515 -2.134) 6.855 27.068 ( 0.000 37.667 -1.821) 37.711 27.719 ( -0.000 -28.639 2.079) 28.714 30.087 ( 0.000 13.235 0.903) 13.265 30.300 ( -0.000 -4.985 -0.825) 5.053 35.753 ( 0.000 22.680 11.333) 25.354 36.381 ( -0.000 -10.616 -16.931) 19.984 37.154 ( 0.000 30.058 1.993) 30.124 37.821 ( -0.000 -29.477 -2.291) 29.566 ======================= Grid point 10 (7/120) ======================= q-point: (-0.56 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.793 ( 1.032 -9.824 -8.839) 13.256 4.981 ( 4.237 21.229 6.791) 22.688 5.736 ( -6.482 -14.619 -6.062) 17.102 5.954 ( -6.751 12.793 1.622) 14.556 6.424 ( 0.594 -5.020 2.858) 5.807 6.653 ( 2.661 2.301 -11.385) 11.916 7.446 ( 2.153 -0.963 11.711) 11.946 7.722 ( -0.586 6.820 -7.451) 10.118 9.492 ( -18.509 -13.134 5.855) 23.439 9.808 ( -8.354 7.091 -4.871) 11.992 10.055 ( -10.084 -71.385 4.033) 72.207 11.488 ( 8.719 54.841 -1.669) 55.555 14.437 ( 35.091 -107.812 -0.082) 113.379 16.248 ( -28.778 44.220 0.336) 52.761 17.373 ( 10.122 -6.261 -1.232) 11.966 17.439 ( 11.867 3.548 2.579) 12.652 18.469 ( 35.606 12.872 0.201) 37.862 19.299 ( -7.406 66.168 -0.309) 66.581 20.818 ( 1.846 -12.954 6.721) 14.710 21.221 ( 0.455 11.791 -7.739) 14.112 25.662 ( -34.490 -15.237 -0.489) 37.709 25.916 ( -14.844 13.150 1.734) 19.907 26.860 ( -9.842 -22.566 0.278) 24.621 27.318 ( -31.449 19.162 -0.494) 36.830 30.550 ( 34.321 -9.216 -0.558) 35.542 30.673 ( 32.023 2.798 0.484) 32.148 35.432 ( -36.355 -19.488 1.079) 41.263 35.731 ( -31.104 5.582 -1.231) 31.625 37.630 ( 31.238 -23.303 3.367) 39.117 38.112 ( 24.668 19.407 -1.604) 31.428 ======================= Grid point 11 (8/120) ======================= q-point: (-0.56 -0.01 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( 2.764 -3.548 -14.108) 14.808 5.183 ( 2.945 -22.187 -12.191) 25.486 5.604 ( 6.029 18.811 -0.291) 19.755 6.013 ( -8.469 7.250 -3.797) 11.777 6.191 ( -9.338 -6.220 1.927) 11.384 6.729 ( 4.122 -2.150 -12.013) 12.881 7.502 ( 2.500 -0.079 5.655) 6.183 7.869 ( -3.756 9.669 -2.601) 10.694 8.385 ( 2.541 -51.382 8.562) 52.152 8.949 ( -15.188 -6.854 13.184) 21.248 9.774 ( -10.972 9.720 -6.847) 16.178 12.978 ( 49.384 26.072 -0.271) 55.844 13.614 ( 73.358 -86.611 0.040) 113.502 14.981 ( -65.627 -18.473 0.012) 68.178 17.442 ( 12.836 -10.775 -1.535) 16.829 17.756 ( 12.518 -2.061 4.680) 13.523 20.163 ( -33.181 58.776 0.163) 67.495 20.628 ( 6.232 -10.851 5.482) 13.661 20.890 ( 31.431 87.124 0.118) 92.620 21.411 ( -2.345 7.615 -8.167) 11.409 23.986 ( -59.029 -35.717 -0.042) 68.993 26.003 ( -28.424 37.217 0.843) 46.837 26.581 ( 3.464 -7.454 -0.128) 8.220 26.874 ( -18.416 -2.248 1.727) 18.633 31.093 ( 33.891 -12.271 -0.616) 36.050 31.244 ( 26.980 -13.329 2.165) 30.171 34.376 ( -19.600 -13.801 -3.707) 24.256 35.240 ( -24.659 8.526 1.258) 26.122 37.824 ( 31.801 -25.489 8.627) 41.658 38.764 ( 10.909 5.717 -2.273) 12.524 ======================= Grid point 15 (9/120) ======================= q-point: ( 0.44 -0.01 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( -14.551 3.858 25.684) 29.771 4.964 ( -36.889 -7.468 13.845) 40.103 5.469 ( 18.331 0.294 5.012) 19.006 6.097 ( 1.317 -3.603 4.054) 5.581 6.321 ( -11.301 8.533 8.807) 16.676 6.440 ( -5.209 -1.294 -7.928) 9.574 7.576 ( 3.373 -3.552 -0.523) 4.926 7.838 ( 14.019 0.688 5.741) 15.165 8.749 ( -55.147 -17.655 -8.269) 58.492 9.480 ( -7.811 -12.011 -8.642) 16.732 9.856 ( 2.719 -5.326 1.260) 6.112 11.790 ( -60.139 55.137 -0.374) 81.590 12.493 ( -47.070 34.750 -1.019) 58.517 16.429 ( 9.405 -66.158 0.161) 66.824 17.259 ( -3.361 2.968 -0.375) 4.499 17.558 ( 1.593 13.529 -3.622) 14.095 19.934 ( 96.903 48.631 -0.527) 108.422 20.646 ( -14.516 2.971 -5.500) 15.804 20.739 ( 68.879 -16.392 0.514) 70.804 21.263 ( 8.764 -0.515 9.460) 12.906 25.233 ( -28.350 -54.775 -0.488) 61.679 26.277 ( 16.956 -1.764 -2.425) 17.219 26.476 ( -12.431 8.194 -0.430) 14.895 27.625 ( 11.648 -42.785 0.517) 44.345 30.282 ( -13.718 38.308 1.764) 40.729 30.657 ( -8.122 30.182 -1.965) 31.317 34.840 ( -26.417 -28.033 5.217) 38.870 35.804 ( -7.044 -26.694 -4.607) 27.989 37.291 ( -23.515 39.654 -12.989) 47.897 38.517 ( 19.455 9.141 -0.101) 21.496 ======================= Grid point 16 (10/120) ======================= q-point: ( 0.44 -0.01 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( -7.512 7.512 31.464) 33.210 4.220 ( -28.455 28.455 21.252) 45.509 5.811 ( 8.728 -8.728 14.459) 19.011 5.979 ( 5.862 -5.862 -0.719) 8.322 6.283 ( -17.832 17.832 11.927) 27.897 6.345 ( 0.911 -0.911 -11.333) 11.406 7.584 ( 3.809 -3.809 0.544) 5.415 7.906 ( -14.597 14.597 -11.478) 23.620 8.027 ( 9.943 -9.943 5.692) 15.170 9.219 ( 4.641 -4.641 -12.775) 14.363 9.826 ( 4.484 -4.484 2.912) 6.978 11.616 ( -87.945 87.945 -2.341) 124.395 12.620 ( -49.942 49.942 -0.261) 70.628 15.745 ( 67.242 -67.242 0.301) 95.095 17.257 ( -5.027 5.027 -0.274) 7.114 17.749 ( -7.669 7.669 -4.752) 11.841 20.507 ( -9.599 9.599 -4.871) 14.423 21.268 ( 45.261 -45.261 0.013) 64.009 21.354 ( 4.758 -4.758 9.915) 11.983 22.441 ( 33.075 -33.075 -0.137) 46.776 23.413 ( 6.126 -6.126 -0.219) 8.666 26.452 ( -5.313 5.313 -0.875) 7.564 26.794 ( -0.071 0.071 -2.525) 2.527 26.894 ( 37.652 -37.652 -0.008) 53.248 30.658 ( -26.110 26.110 3.279) 37.070 30.912 ( -26.736 26.736 -5.476) 38.204 34.128 ( 1.044 -1.044 5.148) 5.355 35.421 ( 6.734 -6.734 -1.366) 9.621 37.472 ( -32.904 32.904 -17.680) 49.779 38.830 ( 3.707 -3.707 0.903) 5.319 ======================= Grid point 18 (11/120) ======================= q-point: (-0.13 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.000 -28.659 -49.900) 57.544 1.994 ( -0.000 -73.957 -20.152) 76.654 2.727 ( -0.000 -102.698 -21.882) 105.004 6.057 ( 0.000 14.724 -2.686) 14.967 6.217 ( -0.000 0.796 -2.129) 2.273 6.726 ( 0.000 0.114 5.483) 5.484 7.612 ( -0.000 -3.608 -1.549) 3.926 7.949 ( -0.000 16.431 -30.345) 34.508 8.044 ( 0.000 -12.287 4.884) 13.222 8.535 ( -0.000 -1.408 -5.824) 5.991 9.690 ( 0.000 -1.413 3.592) 3.860 9.755 ( 0.000 -6.999 3.380) 7.772 10.463 ( -0.000 -35.040 0.386) 35.042 17.480 ( 0.000 3.237 1.778) 3.693 17.511 ( 0.000 0.556 1.823) 1.906 18.624 ( 0.000 37.179 0.133) 37.179 20.188 ( -0.000 -9.194 1.944) 9.397 21.209 ( -0.000 17.288 -19.948) 26.397 23.137 ( 0.000 51.033 0.062) 51.033 23.336 ( 0.000 47.834 -0.474) 47.836 24.403 ( -0.000 -35.446 0.485) 35.449 26.287 ( 0.000 2.352 1.359) 2.717 26.947 ( 0.000 12.009 1.377) 12.087 28.593 ( 0.000 5.884 -1.032) 5.974 28.964 ( -0.000 -16.167 1.361) 16.224 29.487 ( -0.000 -26.979 0.268) 26.981 34.055 ( -0.000 -10.854 -3.240) 11.328 35.488 ( -0.000 -15.454 -0.250) 15.456 36.596 ( 0.000 -84.411 90.602) 123.830 39.210 ( 0.000 9.767 0.060) 9.767 ======================= Grid point 20 (12/120) ======================= q-point: (-0.13 -0.02 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 32.155 14.142 -29.790) 46.059 3.212 ( 70.574 -6.490 -11.771) 71.843 5.236 ( 49.846 39.404 -5.757) 63.801 5.628 ( -18.014 -5.702 -4.835) 19.504 6.095 ( -1.768 -7.667 -1.651) 8.039 6.729 ( 1.130 -0.431 5.452) 5.585 7.386 ( -11.640 -8.881 -16.261) 21.881 7.814 ( 2.059 7.117 -2.238) 7.739 8.223 ( 23.924 -10.536 4.463) 26.520 9.677 ( 1.876 -4.046 4.397) 6.263 9.891 ( 2.554 -1.781 1.720) 3.557 10.184 ( 73.751 60.093 3.327) 95.191 11.715 ( 45.682 32.873 0.247) 56.281 17.094 ( -48.632 -56.068 0.002) 74.220 17.284 ( -2.469 -4.366 0.807) 5.080 17.685 ( 1.334 11.410 1.898) 11.644 20.496 ( 13.376 4.699 1.945) 14.310 21.024 ( -3.074 -0.100 -7.693) 8.285 21.887 ( -74.888 11.430 0.288) 75.756 22.097 ( -71.119 2.314 -0.399) 71.157 24.506 ( 41.152 -60.327 0.217) 73.027 26.364 ( 1.825 8.030 0.714) 8.266 26.729 ( -16.066 6.446 1.181) 17.351 27.839 ( -12.379 -43.627 0.156) 45.349 29.881 ( 18.969 37.263 -1.062) 41.827 30.421 ( 22.794 31.892 1.648) 39.235 34.176 ( 18.836 -16.127 -2.671) 24.940 35.671 ( 13.737 -13.935 1.084) 19.597 37.819 ( 9.817 28.376 28.931) 41.697 38.896 ( -14.225 -2.284 0.937) 14.438 ======================= Grid point 21 (13/120) ======================= q-point: (-0.13 -0.02 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 31.297 18.167 -15.628) 39.418 4.529 ( 45.019 10.762 -5.701) 46.637 5.081 ( -13.900 -11.361 -6.483) 19.087 5.880 ( -2.599 -6.944 -0.385) 7.425 6.465 ( 16.007 18.257 0.159) 24.281 6.768 ( 3.832 -0.647 5.971) 7.124 7.036 ( -7.123 -5.520 -9.634) 13.192 7.988 ( 0.687 5.835 1.569) 6.081 8.778 ( 43.289 -0.397 3.043) 43.397 9.485 ( -15.661 -19.179 -1.193) 24.790 9.586 ( 0.667 -11.227 4.834) 12.241 12.965 ( -27.666 50.066 -0.109) 57.202 13.642 ( 82.942 70.033 0.512) 108.555 14.986 ( 19.983 -64.800 0.082) 67.811 17.367 ( 6.646 8.260 -0.633) 10.621 17.998 ( 1.360 14.875 2.162) 15.093 20.169 ( -58.446 -33.258 0.037) 67.246 20.817 ( 2.413 3.233 -0.985) 4.153 20.902 ( -83.912 30.777 -0.157) 89.378 21.041 ( 2.921 4.224 -0.745) 5.189 23.983 ( 34.745 -59.906 -0.024) 69.253 26.045 ( -37.045 -31.469 0.368) 48.608 26.572 ( 5.269 2.499 -0.103) 5.833 26.965 ( 1.636 -14.938 0.829) 15.051 30.964 ( 13.940 30.975 -1.375) 33.995 31.474 ( 8.653 33.534 2.462) 34.719 34.171 ( 16.558 -19.957 -1.882) 26.000 35.339 ( -5.805 -25.430 1.089) 26.107 38.473 ( 3.999 20.062 6.284) 21.400 38.721 ( -5.023 9.460 2.357) 10.967 ======================= Grid point 22 (14/120) ======================= q-point: (-0.13 -0.02 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.505 ( 25.732 15.486 -8.285) 31.154 4.640 ( -2.655 -6.794 -8.913) 11.518 5.354 ( 17.816 5.704 -1.978) 18.811 5.731 ( -1.813 -2.611 0.665) 3.248 6.576 ( -8.297 -6.940 5.941) 12.341 6.834 ( 4.856 -1.953 6.733) 8.528 7.153 ( 7.014 9.608 -7.951) 14.308 8.080 ( -1.650 4.213 2.644) 5.240 8.492 ( -22.058 -28.497 -5.635) 36.474 9.384 ( 3.420 -11.640 6.339) 13.688 9.963 ( 57.054 4.755 0.376) 57.253 11.352 ( -75.645 -19.667 0.079) 78.160 16.073 ( 61.173 26.890 0.103) 66.823 16.659 ( 29.508 65.053 -0.159) 71.433 17.775 ( 7.563 11.956 -1.995) 14.288 18.302 ( -2.313 13.868 2.506) 14.282 18.563 ( -4.065 -29.137 0.110) 29.420 19.583 ( -74.471 3.495 0.065) 74.553 20.835 ( -2.969 0.399 -3.385) 4.520 21.284 ( 7.641 3.322 2.853) 8.807 23.577 ( 29.576 -42.692 -0.362) 51.937 24.364 ( -37.870 -46.279 0.422) 59.800 26.681 ( 2.050 0.712 -0.726) 2.288 26.870 ( -1.130 0.022 0.902) 1.446 31.688 ( 5.435 18.756 -1.673) 19.599 32.073 ( -1.491 16.485 1.988) 16.671 34.057 ( 8.994 -14.820 -1.650) 17.414 34.609 ( -10.119 -21.147 1.954) 23.525 38.721 ( -3.712 10.490 -1.872) 11.283 39.096 ( 4.745 14.939 3.715) 16.108 ======================= Grid point 23 (15/120) ======================= q-point: (-0.13 -0.02 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.432 ( 5.175 -5.175 -9.307) 11.840 5.207 ( 1.139 -1.139 -9.869) 10.000 5.582 ( 3.510 -3.510 -0.934) 5.051 5.692 ( -0.279 0.279 1.041) 1.113 6.293 ( 1.388 -1.388 13.071) 13.218 6.868 ( 4.007 -4.007 7.462) 9.369 7.360 ( -1.795 1.795 -7.997) 8.390 7.844 ( 3.695 -3.695 -8.711) 10.158 8.105 ( -3.113 3.113 2.826) 5.232 9.285 ( 8.366 -8.366 6.194) 13.355 10.246 ( -24.469 24.469 0.124) 34.605 10.766 ( 29.530 -29.530 -0.235) 41.763 16.855 ( -44.608 44.608 0.074) 63.085 17.691 ( 24.627 -24.627 -0.218) 34.829 18.004 ( -2.595 2.595 -2.493) 4.436 18.163 ( -45.605 45.605 0.581) 64.499 18.432 ( -8.948 8.948 2.416) 12.883 19.197 ( 40.027 -40.027 -0.105) 56.607 20.799 ( -2.359 2.359 -3.081) 4.541 21.406 ( 2.305 -2.305 3.065) 4.474 23.183 ( 0.622 -0.622 0.449) 0.987 23.443 ( 31.400 -31.400 -0.503) 44.409 26.705 ( -0.530 0.530 -0.961) 1.218 26.862 ( -1.764 1.764 0.874) 2.643 31.949 ( -4.951 4.951 -1.795) 7.228 32.186 ( -5.197 5.197 1.093) 7.431 34.006 ( 9.977 -9.977 -1.267) 14.167 34.251 ( 0.466 -0.466 2.378) 2.468 38.798 ( -6.951 6.951 -2.442) 10.129 39.318 ( -4.038 4.038 2.817) 6.367 ======================= Grid point 28 (16/120) ======================= q-point: ( 0.31 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( 0.000 26.079 28.805) 38.857 4.873 ( 0.000 42.351 9.421) 43.386 5.387 ( -0.000 -16.325 4.577) 16.954 5.846 ( 0.000 28.209 8.523) 29.469 6.195 ( 0.000 -2.538 3.003) 3.932 6.642 ( -0.000 4.196 -9.241) 10.149 7.533 ( 0.000 -17.589 16.720) 24.268 7.719 ( -0.000 1.665 -3.662) 4.022 9.164 ( 0.000 49.654 -5.842) 49.996 9.723 ( -0.000 5.352 -4.928) 7.275 9.949 ( -0.000 1.599 -2.587) 3.042 11.134 ( 0.000 82.207 -1.292) 82.217 12.155 ( 0.000 38.790 -1.075) 38.805 17.303 ( -0.000 -1.974 -1.396) 2.418 17.311 ( 0.000 3.205 0.058) 3.206 17.413 ( -0.000 -2.443 -1.926) 3.111 19.229 ( -0.000 -116.341 -0.324) 116.341 20.717 ( 0.000 16.562 -4.574) 17.182 20.903 ( -0.000 -72.256 0.498) 72.258 21.079 ( 0.000 -7.663 8.976) 11.802 26.046 ( -0.000 -5.319 -0.441) 5.337 26.230 ( 0.000 41.749 -1.145) 41.765 26.335 ( -0.000 -9.170 -2.278) 9.449 28.174 ( -0.000 -18.916 1.829) 19.004 29.740 ( 0.000 18.095 0.644) 18.106 30.300 ( 0.000 7.002 -0.632) 7.030 35.032 ( 0.000 27.374 7.362) 28.347 36.508 ( 0.000 29.017 1.077) 29.037 36.882 ( -0.000 2.131 -25.978) 26.066 38.438 ( -0.000 -25.338 -1.741) 25.397 ======================= Grid point 29 (17/120) ======================= q-point: ( 0.31 -0.02 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.224 ( 5.754 27.783 16.957) 33.053 5.055 ( -1.793 -10.130 1.717) 10.430 5.486 ( -8.029 27.075 5.357) 28.744 5.984 ( -6.847 -5.187 -0.367) 8.598 6.406 ( 9.538 5.832 1.299) 11.255 6.754 ( -0.861 7.215 -10.173) 12.501 7.228 ( -2.195 -5.325 13.921) 15.065 7.798 ( 4.107 -0.431 -4.310) 5.969 9.650 ( -16.549 -8.079 1.391) 18.468 9.778 ( -10.337 5.902 -6.025) 13.341 10.197 ( -10.886 65.807 -2.691) 66.756 11.425 ( 9.575 -57.431 1.298) 58.238 14.442 ( 33.717 105.821 -0.287) 111.063 16.264 ( -28.387 -43.551 -0.375) 51.987 17.327 ( 6.810 3.481 0.956) 7.707 17.538 ( 14.865 -5.769 -2.095) 16.082 18.477 ( 35.918 -13.341 -0.189) 38.316 19.288 ( -7.125 -65.791 0.241) 66.176 20.907 ( 0.381 -7.642 6.488) 10.032 21.079 ( 2.186 13.458 -5.051) 14.539 25.642 ( -33.603 12.808 0.468) 35.964 25.979 ( -16.673 -14.910 -1.259) 22.402 26.872 ( -13.561 22.871 -0.249) 26.590 27.301 ( -26.907 -18.911 0.312) 32.889 30.494 ( 33.321 9.158 1.518) 34.590 30.732 ( 33.848 -2.812 -1.688) 34.007 35.221 ( -27.865 18.089 6.436) 33.839 35.951 ( -42.485 -3.630 -6.748) 43.171 37.820 ( 36.866 9.739 -5.009) 38.459 38.106 ( 19.431 -20.002 -1.748) 27.941 ======================= Grid point 30 (18/120) ======================= q-point: ( 0.31 -0.02 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( -2.160 -0.696 1.679) 2.823 4.979 ( 9.071 24.082 8.279) 27.033 5.703 ( -5.486 -7.320 -4.043) 10.001 5.772 ( -5.821 14.458 2.225) 15.744 6.417 ( -5.434 -6.628 -5.940) 10.428 6.880 ( -3.158 8.395 -11.463) 14.555 7.292 ( 6.693 2.985 12.139) 14.180 7.856 ( 2.879 -0.728 -4.600) 5.475 8.854 ( -27.158 -15.048 8.385) 32.161 9.700 ( -13.503 6.763 -7.422) 16.827 9.817 ( -4.193 -77.637 2.475) 77.789 11.618 ( -2.201 80.700 -0.807) 80.734 15.422 ( 56.287 -71.461 -0.686) 90.969 15.824 ( -6.406 -32.166 0.377) 32.800 17.662 ( 14.135 3.228 3.251) 14.859 17.720 ( 18.129 -10.887 -2.500) 21.294 19.009 ( -10.860 41.100 0.247) 42.511 19.214 ( 22.864 60.950 -0.128) 65.097 20.751 ( 3.226 -9.952 5.387) 11.767 21.364 ( -0.006 10.456 -5.901) 12.006 24.689 ( -54.376 -31.570 -0.382) 62.878 25.285 ( -43.024 30.885 0.697) 52.967 26.760 ( -2.365 -7.716 -0.322) 8.077 26.835 ( -10.199 2.680 0.761) 10.572 31.226 ( 31.232 -3.761 2.905) 31.592 31.422 ( 32.455 -4.058 -2.670) 32.817 34.688 ( -27.586 -8.499 2.346) 28.961 35.069 ( -35.705 5.337 -3.266) 36.249 38.166 ( 26.205 -18.430 3.716) 32.252 38.692 ( 22.659 6.406 -3.795) 23.851 ======================= Grid point 31 (19/120) ======================= q-point: (-0.69 -0.02 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.804 ( -4.070 4.070 0.483) 5.776 5.430 ( 2.504 -2.504 2.444) 4.303 5.620 ( 0.401 -0.401 2.065) 2.141 5.867 ( -7.089 7.089 3.104) 10.495 6.143 ( -6.358 6.358 -16.887) 19.132 6.940 ( -6.575 6.575 -12.190) 15.332 7.429 ( 3.391 -3.391 9.492) 10.635 7.885 ( 1.114 -1.114 -3.437) 3.781 8.305 ( -4.021 4.021 12.323) 13.572 8.797 ( 36.058 -36.058 5.343) 51.273 9.660 ( -13.837 13.837 -8.023) 21.149 12.872 ( -65.061 65.061 -0.012) 92.010 14.772 ( 52.544 -52.544 0.151) 74.309 15.305 ( 82.930 -82.930 -0.720) 117.284 17.801 ( 16.071 -16.071 -2.708) 22.889 17.871 ( 6.648 -6.648 4.179) 10.289 19.301 ( -46.705 46.705 0.239) 66.052 20.670 ( 7.408 -7.408 4.769) 11.512 20.911 ( -39.744 39.744 0.046) 56.206 21.477 ( -4.834 4.834 -6.084) 9.151 23.236 ( -2.595 2.595 -0.282) 3.681 25.160 ( -44.045 44.045 0.520) 62.291 26.655 ( 4.090 -4.090 0.674) 5.824 26.747 ( 1.722 -1.722 0.521) 2.490 31.582 ( 15.736 -15.736 4.308) 22.667 31.695 ( 16.736 -16.736 -2.661) 23.818 34.239 ( -1.910 1.910 -3.779) 4.645 34.731 ( -20.212 20.212 1.640) 28.631 38.258 ( 22.536 -22.536 4.925) 32.248 39.005 ( 6.252 -6.252 -3.220) 9.410 ======================= Grid point 35 (20/120) ======================= q-point: ( 0.31 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -21.587 9.789 38.114) 44.883 3.549 ( -59.495 -6.676 22.427) 63.931 5.413 ( -41.483 32.102 12.351) 53.888 5.757 ( 16.537 -1.014 7.753) 18.293 6.143 ( 1.349 -8.791 3.198) 9.451 6.577 ( -1.158 -0.714 -9.612) 9.708 7.632 ( 5.047 -5.477 4.508) 8.706 7.966 ( 15.618 -2.214 14.336) 21.315 8.093 ( -25.065 -10.366 -8.540) 28.436 9.552 ( -2.535 -5.481 -8.106) 10.108 9.847 ( -7.963 3.685 -2.579) 9.146 10.098 ( -74.264 59.406 -5.002) 95.232 11.708 ( -45.533 33.092 -0.355) 56.289 17.094 ( 47.944 -55.486 0.048) 73.330 17.261 ( 2.176 -4.027 -1.448) 4.801 17.632 ( -1.564 10.925 -3.410) 11.551 20.439 ( -13.238 5.053 -3.799) 14.670 21.219 ( 7.173 -2.357 11.198) 13.505 21.879 ( 75.400 12.086 -0.526) 76.364 22.109 ( 70.713 1.350 0.725) 70.729 24.500 ( -40.922 -59.973 -0.374) 72.605 26.344 ( -2.491 8.423 -1.294) 8.879 26.695 ( 15.775 6.763 -2.149) 17.298 27.837 ( 11.821 -44.464 0.047) 46.009 29.911 ( -18.644 38.007 1.908) 42.377 30.378 ( -23.413 29.522 -2.568) 37.767 34.250 ( -18.759 -17.307 4.695) 25.952 35.636 ( -13.590 -12.818 -2.565) 18.856 37.181 ( -29.307 39.576 -31.377) 58.393 38.884 ( 14.848 -2.000 -0.287) 14.984 ======================= Grid point 37 (21/120) ======================= q-point: (-0.25 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -0.000 -22.458 -41.489) 47.177 3.790 ( -0.000 -60.004 -18.215) 62.708 4.913 ( -0.000 -63.067 -19.580) 66.037 5.773 ( 0.000 19.316 -5.394) 20.055 6.246 ( -0.000 2.016 -3.523) 4.059 6.585 ( 0.000 -1.421 9.355) 9.462 7.681 ( 0.000 -1.778 1.422) 2.277 8.006 ( -0.000 28.465 -23.078) 36.645 8.333 ( -0.000 -29.887 8.402) 31.045 9.256 ( -0.000 -72.424 8.887) 72.967 9.654 ( 0.000 -6.781 5.610) 8.800 9.845 ( 0.000 -7.964 4.078) 8.948 11.354 ( -0.000 -45.843 0.510) 45.846 17.360 ( 0.000 3.379 2.474) 4.188 17.445 ( 0.000 1.231 2.835) 3.090 17.763 ( 0.000 38.844 -0.151) 38.845 20.386 ( -0.000 -14.703 3.931) 15.219 21.249 ( -0.000 9.784 -12.236) 15.666 21.475 ( 0.000 97.902 0.231) 97.902 22.287 ( 0.000 59.325 -0.679) 59.328 25.275 ( -0.000 -46.350 0.784) 46.357 26.166 ( 0.000 5.577 1.627) 5.809 26.617 ( 0.000 14.810 2.424) 15.007 28.471 ( 0.000 9.978 -1.908) 10.159 29.342 ( -0.000 -19.707 -0.408) 19.711 30.007 ( -0.000 -21.073 0.608) 21.082 34.499 ( -0.000 -22.324 -6.509) 23.254 35.933 ( -0.000 -25.458 -0.694) 25.467 36.533 ( 0.000 -34.474 41.368) 53.850 38.904 ( 0.000 19.025 0.533) 19.032 ======================= Grid point 38 (22/120) ======================= q-point: (-0.25 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 28.452 -28.452 -31.249) 50.947 2.892 ( 13.212 -13.212 -49.976) 53.354 4.292 ( 60.888 -60.888 -24.986) 89.660 6.073 ( -9.347 9.347 -6.950) 14.934 6.184 ( -4.270 4.270 -2.396) 6.497 6.569 ( -0.125 0.125 9.740) 9.741 7.660 ( 0.346 -0.346 -1.280) 1.370 7.815 ( 2.678 -2.678 9.612) 10.331 8.387 ( -14.193 14.193 -23.343) 30.786 8.793 ( 35.931 -35.931 10.527) 51.893 9.541 ( -1.184 1.184 8.008) 8.181 9.764 ( 6.517 -6.517 3.909) 10.011 10.822 ( 33.897 -33.897 0.354) 47.938 17.325 ( -4.821 4.821 2.589) 7.293 17.564 ( 4.753 -4.753 3.527) 7.591 18.121 ( -43.004 43.004 0.034) 60.817 20.216 ( 7.736 -7.736 3.570) 11.508 21.400 ( -10.219 10.219 -13.992) 20.116 22.888 ( -30.569 30.569 -0.185) 43.231 23.582 ( -20.202 20.202 -0.343) 28.572 23.748 ( -9.185 9.185 0.072) 12.989 26.301 ( 2.724 -2.724 2.062) 4.370 26.896 ( -3.261 3.261 2.382) 5.191 28.202 ( -23.369 23.369 0.628) 33.055 29.447 ( 27.275 -27.275 -2.214) 38.637 29.796 ( 27.371 -27.371 2.280) 38.776 34.038 ( 0.227 -0.227 -5.072) 5.082 35.391 ( 8.757 -8.757 5.364) 13.496 36.311 ( 52.654 -52.654 38.112) 83.650 39.126 ( -8.157 8.157 -0.128) 11.536 ======================= Grid point 40 (23/120) ======================= q-point: (-0.25 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( 25.292 6.589 -27.331) 37.817 4.710 ( 47.219 -9.142 -11.273) 49.400 5.354 ( -16.574 -2.763 -5.935) 17.820 6.030 ( 6.556 2.913 -2.530) 7.607 6.170 ( 11.840 7.406 -5.966) 15.187 6.631 ( 4.287 -1.084 9.503) 10.481 7.418 ( -12.128 -7.732 -13.517) 19.738 7.819 ( -1.930 6.478 1.831) 7.003 8.894 ( 51.787 -17.262 6.241) 54.943 9.633 ( 5.219 -8.360 6.515) 11.814 9.848 ( -3.911 -9.629 0.502) 10.405 11.798 ( 54.689 53.764 0.404) 76.691 12.516 ( 49.176 34.894 1.209) 60.311 16.426 ( -9.067 -66.050 -0.104) 66.670 17.266 ( 1.965 1.432 0.316) 2.452 17.624 ( -2.314 14.645 2.918) 15.111 19.944 ( -97.079 48.914 0.460) 108.706 20.728 ( -62.414 -15.071 -0.038) 64.207 20.744 ( 8.720 1.103 3.634) 9.512 21.085 ( -6.520 0.621 -8.081) 10.402 25.242 ( 27.920 -55.361 0.395) 62.004 26.320 ( -17.574 -2.626 1.872) 17.867 26.483 ( 11.963 7.477 0.342) 14.112 27.617 ( -11.687 -40.759 -0.307) 42.402 30.248 ( 14.043 37.597 -1.528) 40.163 30.696 ( 7.553 32.180 1.877) 33.107 34.737 ( 25.837 -24.675 -4.908) 36.063 35.890 ( 9.078 -31.423 3.803) 32.928 37.594 ( 12.979 38.537 16.789) 43.994 38.526 ( -19.185 7.509 0.854) 20.620 ======================= Grid point 41 (24/120) ======================= q-point: (-0.25 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.409 ( 27.215 12.125 -14.509) 33.139 4.989 ( -9.870 -4.787 -7.109) 13.072 5.374 ( 25.001 -1.777 -5.116) 25.581 5.823 ( -4.315 -7.400 0.259) 8.570 6.541 ( -3.239 1.448 2.956) 4.618 6.714 ( 6.726 -2.990 10.584) 12.892 7.225 ( 2.092 3.110 -13.453) 13.965 7.898 ( -2.535 5.162 5.283) 7.809 9.196 ( -17.216 -25.586 -6.126) 31.441 9.502 ( 9.498 -14.983 9.668) 20.203 9.984 ( 71.284 -7.567 1.961) 71.711 11.563 ( -83.600 0.217 -0.747) 83.604 15.386 ( 70.236 54.749 -0.323) 89.054 15.856 ( 33.424 -6.054 0.518) 33.972 17.548 ( 7.275 13.349 -2.388) 15.389 17.895 ( -5.516 18.031 3.396) 19.159 19.025 ( -40.985 -13.303 0.191) 43.090 19.210 ( -61.874 25.963 0.019) 67.101 20.918 ( -4.814 0.664 -6.025) 7.741 21.137 ( 9.926 3.188 4.835) 11.492 24.661 ( 30.353 -55.095 -0.416) 62.905 25.331 ( -31.340 -43.771 0.632) 53.838 26.711 ( 6.738 -2.836 -0.847) 7.360 26.913 ( -4.550 -8.774 1.237) 9.961 31.204 ( 5.758 31.649 -2.647) 32.278 31.476 ( -1.061 33.638 3.305) 33.816 34.586 ( 15.490 -29.528 -3.999) 33.583 35.140 ( -8.936 -34.455 4.010) 35.820 38.437 ( -3.884 21.707 -0.563) 22.059 38.575 ( 0.812 23.883 5.343) 24.487 ======================= Grid point 42 (25/120) ======================= q-point: (-0.25 -0.03 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.764 ( -0.879 -5.106 -8.552) 9.999 5.239 ( 20.776 14.503 -9.428) 27.034 5.644 ( -3.509 -0.203 3.276) 4.805 5.680 ( 10.651 -3.210 -2.206) 11.341 6.211 ( -10.267 -13.685 10.159) 19.897 6.777 ( 8.047 -6.159 12.017) 15.719 7.443 ( 2.273 7.016 -10.629) 12.937 7.935 ( -3.209 4.420 5.726) 7.913 8.345 ( -9.038 -20.130 -12.950) 25.585 9.380 ( 11.857 -15.727 9.992) 22.086 9.878 ( -64.098 10.499 -1.162) 64.963 11.349 ( 73.804 -22.911 0.035) 77.279 16.059 ( -60.782 28.055 -0.150) 66.944 16.701 ( -28.077 64.672 0.667) 70.507 17.931 ( 1.041 10.704 -4.162) 11.531 18.092 ( -10.958 16.364 3.810) 20.059 18.546 ( 2.754 -29.231 -0.213) 29.361 19.576 ( 74.333 3.490 -0.042) 74.415 20.822 ( -6.703 3.399 -5.360) 9.232 21.354 ( 6.918 -1.052 5.722) 9.040 23.632 ( -30.715 -41.701 0.616) 51.795 24.299 ( 38.073 -47.183 -0.750) 60.633 26.720 ( -1.120 -0.096 -1.593) 1.949 26.798 ( -2.916 1.667 1.170) 3.557 31.761 ( -3.186 18.962 -3.556) 19.554 31.939 ( -6.928 16.756 2.688) 18.330 34.268 ( 0.948 -12.624 -0.405) 12.666 34.432 ( 5.028 -24.008 1.717) 24.588 38.620 ( -12.287 17.018 -4.367) 21.439 39.065 ( 0.327 13.193 4.447) 13.926 ======================= Grid point 46 (26/120) ======================= q-point: ( 0.18 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 36.088 32.485) 48.556 3.504 ( 0.000 67.889 10.203) 68.652 4.628 ( 0.000 73.531 9.422) 74.132 5.685 ( -0.000 -19.391 3.253) 19.662 6.191 ( 0.000 -1.657 2.025) 2.616 6.734 ( -0.000 1.233 -5.372) 5.511 7.523 ( 0.000 -16.907 22.716) 28.318 7.696 ( 0.000 3.993 -0.286) 4.003 8.459 ( 0.000 28.554 -4.331) 28.881 9.406 ( 0.000 68.441 -5.711) 68.679 9.738 ( -0.000 4.047 -2.856) 4.953 9.911 ( -0.000 6.732 -2.468) 7.171 11.364 ( 0.000 45.868 -0.385) 45.870 17.399 ( -0.000 -4.072 -1.380) 4.300 17.490 ( -0.000 -1.610 -1.586) 2.261 17.761 ( -0.000 -39.126 0.095) 39.126 20.447 ( 0.000 15.123 -2.187) 15.280 21.027 ( 0.000 -4.793 9.190) 10.364 21.478 ( -0.000 -97.836 -0.122) 97.836 22.277 ( -0.000 -59.175 0.372) 59.176 25.289 ( 0.000 46.635 -0.535) 46.638 26.192 ( -0.000 -6.359 -0.899) 6.422 26.654 ( -0.000 -14.875 -1.330) 14.934 28.442 ( -0.000 -9.972 1.055) 10.027 29.338 ( 0.000 19.194 -0.010) 19.194 30.017 ( 0.000 21.137 -0.338) 21.140 34.398 ( 0.000 21.764 3.610) 22.061 35.923 ( 0.000 25.232 0.352) 25.234 37.379 ( -0.000 9.809 -39.117) 40.328 38.919 ( -0.000 -17.966 -1.032) 17.995 ======================= Grid point 47 (27/120) ======================= q-point: ( 0.18 -0.04 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 9.047 35.664 18.584) 41.220 4.536 ( -10.065 53.421 6.177) 54.711 5.256 ( -5.299 -15.244 3.688) 16.555 6.000 ( 11.907 16.234 0.546) 20.139 6.079 ( 1.985 7.671 3.455) 8.644 6.784 ( -0.702 4.516 -5.594) 7.224 7.158 ( -5.594 -10.130 10.929) 15.917 7.850 ( 6.685 1.043 -1.074) 6.850 8.990 ( -17.128 49.902 -3.323) 52.864 9.727 ( -7.035 1.917 -2.947) 7.865 9.870 ( -11.542 -3.031 -1.348) 12.010 11.805 ( 52.716 50.472 -0.259) 72.983 12.537 ( 34.984 50.775 -0.862) 61.667 16.425 ( -65.955 -8.859 0.046) 66.547 17.271 ( 0.376 1.008 -0.181) 1.091 17.670 ( 15.439 -2.816 -1.624) 15.777 19.951 ( 49.145 -97.235 -0.279) 108.949 20.723 ( -16.330 -68.644 0.216) 70.560 20.793 ( 0.656 12.990 -0.931) 13.040 20.965 ( 2.947 -1.739 3.641) 4.997 25.248 ( -55.781 27.604 -0.220) 62.238 26.349 ( -3.227 -18.033 -1.009) 18.348 26.489 ( 6.948 11.670 -0.191) 13.583 27.613 ( -39.319 -11.797 0.125) 41.051 30.224 ( 36.866 14.240 0.859) 39.530 30.727 ( 33.856 7.090 -1.129) 34.609 34.658 ( -22.385 25.221 2.881) 33.845 35.947 ( -32.935 10.933 -1.901) 34.754 37.895 ( 33.971 0.034 -12.096) 36.060 38.551 ( 6.607 -18.567 -1.559) 19.770 ======================= Grid point 48 (28/120) ======================= q-point: ( 0.18 -0.04 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 14.301 32.755 10.032) 37.122 4.864 ( -10.113 -6.183 4.831) 12.800 5.295 ( -1.007 28.121 2.787) 28.276 5.829 ( -6.941 -2.565 -0.330) 7.407 6.628 ( 4.317 -0.390 -5.713) 7.171 6.882 ( -2.395 6.260 -4.875) 8.288 6.978 ( 4.479 3.585 10.151) 11.660 7.971 ( 5.938 -2.190 -2.173) 6.691 9.107 ( -28.973 -19.192 2.932) 34.876 9.656 ( -13.212 7.455 -5.593) 16.168 10.011 ( -8.222 70.859 -0.810) 71.339 11.551 ( 0.789 -84.337 0.399) 84.342 15.382 ( 54.328 69.761 0.122) 88.420 15.864 ( -5.986 33.810 -0.303) 34.338 17.511 ( 12.316 6.470 1.312) 13.974 17.948 ( 18.957 -6.044 -1.901) 19.988 19.028 ( -13.794 -40.940 -0.098) 43.201 19.211 ( 26.605 -62.125 -0.031) 67.582 20.820 ( 0.943 -5.025 3.594) 6.249 21.216 ( 3.156 11.604 -2.838) 12.356 24.655 ( -55.236 30.066 0.236) 62.890 25.341 ( -43.864 -31.438 -0.345) 53.968 26.698 ( -3.295 6.281 0.483) 7.110 26.932 ( -8.178 -4.741 -0.692) 9.478 31.163 ( 31.073 5.326 1.487) 31.561 31.528 ( 34.484 -1.380 -1.902) 34.564 34.522 ( -28.320 14.112 2.323) 31.726 35.206 ( -35.667 -6.713 -2.427) 36.374 38.416 ( 18.815 -9.706 0.990) 21.194 38.682 ( 24.713 1.847 -4.411) 25.171 ======================= Grid point 49 (29/120) ======================= q-point: ( 0.18 -0.04 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( -11.021 4.295 5.863) 13.202 5.053 ( 12.302 20.478 7.772) 25.122 5.646 ( -3.201 10.833 1.067) 11.346 5.695 ( -1.183 -1.584 -1.739) 2.633 6.426 ( -8.301 -4.555 -9.812) 13.636 6.968 ( -4.991 7.740 -6.395) 11.212 7.255 ( 7.427 2.593 7.514) 10.879 8.017 ( 5.024 -4.012 -2.515) 6.904 8.141 ( -23.312 -10.302 7.196) 26.484 9.534 ( -14.397 10.499 -5.404) 18.619 9.860 ( 11.814 -65.844 0.672) 66.899 11.349 ( -23.464 73.559 -0.027) 77.211 16.057 ( 28.261 -60.708 0.079) 66.964 16.712 ( 64.527 -27.717 -0.403) 70.229 17.866 ( 10.200 0.844 2.279) 10.486 18.152 ( 17.238 -11.684 -2.142) 20.935 18.542 ( -29.279 2.494 0.124) 29.385 19.576 ( 3.446 74.319 0.013) 74.399 20.737 ( 3.369 -6.150 3.012) 7.632 21.443 ( -1.174 7.200 -3.159) 7.949 23.641 ( -41.534 -30.920 -0.338) 51.781 24.288 ( -47.340 38.117 0.415) 60.780 26.694 ( -0.311 -1.058 0.936) 1.446 26.817 ( 2.057 -3.565 -0.692) 4.174 31.705 ( 18.968 -3.654 1.998) 19.420 31.981 ( 16.235 -7.406 -1.488) 17.907 34.250 ( -12.615 7.681 0.890) 14.797 34.472 ( -23.606 -0.975 -1.802) 23.694 38.554 ( 16.669 -12.641 2.260) 21.042 39.137 ( 13.516 -0.828 -2.598) 13.788 ======================= Grid point 54 (30/120) ======================= q-point: ( 0.18 -0.04 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -21.490 21.490 44.930) 54.243 1.925 ( -37.530 37.530 20.449) 56.878 3.931 ( -72.136 72.136 11.948) 102.712 5.964 ( 11.311 -11.311 3.983) 16.485 6.143 ( 3.666 -3.666 1.535) 5.408 6.723 ( 0.204 -0.204 -5.463) 5.470 7.595 ( 4.908 -4.908 9.442) 11.718 7.835 ( 7.553 -7.553 24.905) 27.099 7.958 ( -2.430 2.430 -4.859) 5.952 8.969 ( -40.373 40.373 -6.642) 57.482 9.665 ( 0.617 -0.617 -4.347) 4.433 9.826 ( -4.605 4.605 -2.203) 6.875 10.827 ( -33.783 33.783 -0.195) 47.777 17.365 ( 5.429 -5.429 -1.439) 7.812 17.619 ( -4.822 4.822 -1.963) 7.097 18.122 ( 43.212 -43.212 -0.046) 61.111 20.271 ( -7.800 7.800 -1.931) 11.199 21.108 ( 5.610 -5.610 14.046) 16.131 22.885 ( 30.532 -30.532 0.120) 43.178 23.577 ( 19.964 -19.964 0.181) 28.233 23.749 ( 9.111 -9.111 -0.063) 12.884 26.334 ( -2.249 2.249 -1.148) 3.382 26.933 ( 3.358 -3.358 -1.311) 4.927 28.222 ( 24.161 -24.161 -1.216) 34.190 29.413 ( -27.129 27.129 1.219) 38.386 29.838 ( -28.690 28.690 -1.815) 40.614 33.959 ( -0.551 0.551 2.811) 2.917 35.453 ( -5.167 5.167 -1.554) 7.470 37.355 ( -38.024 38.024 -61.419) 81.633 39.128 ( 7.796 -7.796 -0.323) 11.029 ======================= Grid point 55 (31/120) ======================= q-point: (-0.38 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( -0.000 -14.774 -27.165) 30.923 5.082 ( -0.000 -31.397 -11.185) 33.330 5.475 ( 0.000 16.079 -3.868) 16.538 6.056 ( -0.000 -15.663 -11.927) 19.687 6.275 ( -0.000 -0.155 -5.909) 5.911 6.454 ( 0.000 -4.010 8.873) 9.737 7.613 ( 0.000 -0.013 7.184) 7.184 7.835 ( -0.000 20.038 -12.897) 23.830 9.030 ( -0.000 -53.155 7.647) 53.702 9.618 ( 0.000 -7.515 5.418) 9.264 9.899 ( 0.000 -3.059 2.293) 3.823 11.107 ( -0.000 -88.572 1.350) 88.582 12.136 ( -0.000 -36.743 0.870) 36.754 17.272 ( 0.000 0.676 1.711) 1.840 17.311 ( -0.000 -3.039 0.101) 3.041 17.371 ( 0.000 1.490 2.237) 2.688 19.222 ( 0.000 116.378 0.391) 116.379 20.614 ( 0.000 -15.753 5.700) 16.753 20.915 ( 0.000 72.452 -0.628) 72.455 21.268 ( -0.000 9.747 -9.857) 13.862 26.036 ( 0.000 3.935 0.579) 3.977 26.205 ( -0.000 -41.285 1.311) 41.306 26.283 ( 0.000 8.746 2.910) 9.218 28.216 ( 0.000 19.068 -2.305) 19.207 29.757 ( -0.000 -18.115 -0.995) 18.143 30.286 ( -0.000 -7.013 0.812) 7.060 35.200 ( -0.000 -28.554 -9.296) 30.029 36.377 ( 0.000 -11.945 23.918) 26.735 36.534 ( -0.000 -29.494 -1.580) 29.537 38.409 ( 0.000 26.478 1.273) 26.509 ======================= Grid point 56 (32/120) ======================= q-point: (-0.38 -0.05 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 3.011 -30.579 -29.592) 42.659 4.104 ( -2.607 -29.834 -32.174) 43.955 5.726 ( 19.961 -25.828 -19.048) 37.794 5.906 ( 5.190 12.555 -6.369) 15.004 6.225 ( -9.045 0.072 -5.430) 10.550 6.375 ( -1.506 -1.064 9.546) 9.723 7.627 ( -0.717 1.987 3.256) 3.881 7.879 ( -10.241 -26.692 12.614) 31.249 8.251 ( -9.772 23.359 -11.273) 27.717 9.366 ( -8.076 -3.321 10.384) 13.568 9.795 ( 15.405 -20.972 2.523) 26.144 10.002 ( 54.737 -69.318 4.308) 88.429 11.701 ( 33.270 -45.470 0.344) 56.342 17.096 ( -54.158 46.592 -0.121) 71.441 17.228 ( -3.948 2.117 1.797) 4.827 17.555 ( 10.247 -1.891 4.231) 11.246 20.352 ( 5.180 -12.825 4.858) 14.660 21.440 ( -3.404 9.253 -10.797) 14.621 21.867 ( 12.786 75.950 0.666) 77.022 22.125 ( 0.191 70.269 -0.910) 70.275 24.492 ( -59.554 -40.579 0.444) 72.067 26.315 ( 8.954 -3.412 1.631) 9.720 26.646 ( 7.232 15.352 2.718) 17.187 27.842 ( -45.673 11.538 -0.498) 47.110 29.953 ( 38.837 -18.147 -2.277) 42.928 30.326 ( 26.589 -23.857 2.540) 35.813 34.354 ( -18.651 -18.329 -5.581) 26.739 35.571 ( -8.539 -13.890 3.861) 16.756 36.678 ( 41.675 -36.219 18.939) 58.372 38.882 ( -1.466 15.222 -0.102) 15.293 ======================= Grid point 59 (33/120) ======================= q-point: (-0.38 -0.05 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.552 ( 18.965 3.759 -15.183) 24.583 5.063 ( -15.296 1.516 1.480) 15.441 5.608 ( 21.225 -7.166 -6.661) 23.371 5.976 ( -8.757 -6.459 0.618) 10.899 6.472 ( 2.225 5.202 -5.260) 7.725 6.556 ( 5.377 -0.165 8.435) 10.004 7.491 ( -3.568 -2.340 -11.303) 12.081 7.678 ( -2.305 3.494 7.196) 8.325 9.618 ( 10.397 -13.353 6.186) 18.019 9.726 ( -8.473 -13.209 -2.695) 15.923 10.133 ( 67.967 -10.436 3.732) 68.865 11.454 ( -56.186 9.177 -1.646) 56.954 14.438 ( 106.873 34.384 0.135) 112.268 16.256 ( -43.926 -28.567 0.407) 52.400 17.349 ( 4.807 8.368 -1.211) 9.726 17.491 ( -4.715 13.428 2.598) 14.467 18.473 ( -13.095 35.764 0.219) 38.086 19.293 ( -65.972 -7.262 -0.304) 66.371 20.949 ( 13.669 1.384 5.949) 14.972 21.066 ( -10.195 1.019 -7.358) 12.614 25.652 ( 13.983 -34.035 -0.537) 36.800 25.950 ( -14.090 -15.803 1.647) 21.236 26.866 ( 22.720 -11.760 0.295) 25.585 27.309 ( -19.015 -29.073 -0.440) 34.742 30.526 ( 9.586 34.509 -1.626) 35.853 30.697 ( -3.188 32.219 1.702) 32.421 35.359 ( 21.062 -31.893 -6.780) 38.817 35.807 ( -7.173 -37.137 7.092) 38.483 37.715 ( 18.639 35.227 5.128) 40.183 38.092 ( -21.077 21.348 -0.274) 30.001 ======================= Grid point 60 (34/120) ======================= q-point: ( 0.62 -0.05 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( -10.281 2.802 4.252) 11.473 5.113 ( 21.471 8.513 -3.883) 23.421 5.608 ( -13.080 -4.619 5.500) 14.922 5.813 ( 12.037 -6.201 -1.436) 13.616 6.364 ( -9.374 -7.026 -1.663) 11.833 6.662 ( 7.291 -2.695 9.424) 12.216 7.523 ( -0.415 5.115 -9.929) 11.177 7.730 ( 2.825 1.842 7.295) 8.037 9.052 ( -13.408 -22.189 -11.299) 28.281 9.530 ( 12.109 -17.076 9.312) 22.911 9.875 ( -76.932 -5.156 -3.160) 77.170 11.600 ( 81.555 -1.445 0.998) 81.574 15.408 ( -71.214 55.854 0.729) 90.508 15.833 ( -32.472 -6.292 -0.532) 33.081 17.664 ( -9.728 16.567 3.074) 19.457 17.736 ( 3.951 15.342 -4.112) 16.368 19.015 ( 41.083 -11.657 -0.287) 42.706 19.212 ( 61.212 23.868 0.102) 65.701 20.871 ( -11.060 3.109 -6.518) 13.209 21.230 ( 9.893 0.238 7.414) 12.365 24.681 ( -31.191 -54.621 0.489) 62.901 25.300 ( 31.039 -43.326 -0.839) 53.304 26.748 ( -7.997 -1.746 0.826) 8.227 26.856 ( 3.861 -10.450 -1.357) 11.222 31.282 ( -5.857 32.925 -1.822) 33.491 31.374 ( -1.010 31.346 1.357) 31.392 34.715 ( -16.321 -30.159 0.343) 34.294 35.025 ( 12.111 -33.415 0.415) 35.544 38.258 ( -16.721 27.171 -5.606) 32.393 38.613 ( 8.873 21.501 3.976) 23.597 ======================= Grid point 61 (35/120) ======================= q-point: ( 0.62 -0.05 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.759 ( -4.672 4.672 5.857) 8.829 5.343 ( -10.478 10.478 7.875) 16.780 5.720 ( 3.741 -3.741 -3.791) 6.509 5.789 ( 7.592 -7.592 18.784) 21.636 6.016 ( 3.620 -3.620 -12.608) 13.608 6.714 ( 5.672 -5.672 9.486) 12.423 7.570 ( -4.256 4.256 -2.312) 6.448 7.821 ( 1.366 -1.366 0.911) 2.135 8.573 ( -2.747 2.747 -14.059) 14.586 8.917 ( -26.477 26.477 -6.813) 38.059 9.478 ( 16.238 -16.238 10.098) 25.087 12.872 ( 64.801 -64.801 -0.042) 91.642 14.776 ( -52.474 52.474 -0.199) 74.209 15.291 ( -82.707 82.707 0.721) 116.968 17.740 ( -14.666 14.666 3.322) 21.005 17.966 ( -6.922 6.922 -5.313) 11.138 19.306 ( 46.596 -46.596 -0.282) 65.897 20.776 ( -7.789 7.789 -5.678) 12.393 20.912 ( 39.776 -39.776 -0.079) 56.252 21.340 ( 4.375 -4.375 7.575) 9.781 23.229 ( 2.934 -2.934 0.368) 4.166 25.172 ( 43.696 -43.696 -0.673) 61.799 26.660 ( -4.447 4.447 0.195) 6.293 26.768 ( -0.592 0.592 -1.631) 1.833 31.635 ( -16.913 16.913 3.359) 24.153 31.680 ( -15.359 15.359 -5.570) 22.424 34.156 ( 1.819 -1.819 4.468) 5.155 34.770 ( 19.650 -19.650 -2.195) 27.875 38.380 ( -21.577 21.577 -7.365) 31.390 38.935 ( -5.142 5.142 3.637) 8.131 ======================= Grid point 64 (36/120) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 47.771 -0.000) 47.771 1.783 ( 0.000 83.295 -0.000) 83.295 2.515 ( 0.000 113.622 -0.000) 113.622 6.030 ( -0.000 -15.156 0.000) 15.156 6.194 ( -0.000 -0.815 0.000) 0.815 6.781 ( -0.000 -0.166 0.000) 0.166 7.384 ( -0.000 -3.986 0.000) 3.986 7.597 ( 0.000 4.533 -0.000) 4.533 8.092 ( 0.000 12.152 -0.000) 12.152 8.514 ( 0.000 26.277 -0.000) 26.277 9.725 ( 0.000 1.291 -0.000) 1.291 9.789 ( 0.000 6.595 -0.000) 6.595 10.468 ( 0.000 35.035 -0.000) 35.035 17.498 ( -0.000 -3.370 0.000) 3.370 17.529 ( -0.000 -0.642 0.000) 0.642 18.625 ( -0.000 -37.286 0.000) 37.286 20.207 ( 0.000 9.276 -0.000) 9.276 20.942 ( -0.000 -0.147 0.000) 0.147 23.138 ( -0.000 -50.808 0.000) 50.808 23.331 ( -0.000 -47.983 0.000) 47.983 24.409 ( 0.000 35.191 -0.000) 35.191 26.301 ( -0.000 -2.513 0.000) 2.513 26.961 ( -0.000 -12.038 0.000) 12.038 28.583 ( -0.000 -5.894 0.000) 5.894 28.983 ( 0.000 14.035 -0.000) 14.035 29.489 ( 0.000 27.005 -0.000) 27.005 34.023 ( 0.000 10.708 -0.000) 10.708 35.486 ( 0.000 15.429 -0.000) 15.429 37.972 ( -0.000 -4.724 0.000) 4.724 39.216 ( -0.000 -9.211 0.000) 9.211 ======================= Grid point 65 (37/120) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 16.991 39.961 -0.000) 43.423 3.094 ( -6.374 74.155 -0.000) 74.429 5.180 ( 41.980 52.731 -0.000) 67.401 5.579 ( -7.580 -18.678 0.000) 20.158 6.078 ( -7.202 -1.855 -0.000) 7.437 6.783 ( -0.361 1.154 -0.000) 1.209 7.197 ( -5.255 -6.557 0.000) 8.403 7.798 ( 7.379 4.402 0.000) 8.593 8.267 ( -10.606 23.569 -0.000) 25.845 9.721 ( -3.632 1.555 -0.000) 3.951 9.909 ( -3.362 1.113 -0.000) 3.541 10.218 ( 60.055 73.074 -0.000) 94.585 11.717 ( 32.764 45.762 -0.000) 56.282 17.094 ( -56.221 -48.848 -0.000) 74.477 17.292 ( -4.527 -2.608 -0.000) 5.225 17.704 ( 11.587 1.250 0.000) 11.654 20.515 ( 4.417 13.331 -0.000) 14.044 20.944 ( 1.324 -0.594 0.000) 1.451 21.890 ( 11.154 -74.677 0.000) 75.505 22.093 ( 2.698 -71.288 0.000) 71.339 24.508 ( -60.471 41.232 -0.000) 73.190 26.372 ( 7.885 1.582 0.000) 8.042 26.740 ( 6.335 -16.170 0.000) 17.367 27.841 ( -43.335 -12.684 -0.000) 45.153 29.870 ( 36.968 19.083 0.000) 41.603 30.438 ( 32.794 22.476 0.000) 39.757 34.149 ( -15.671 18.831 -0.000) 24.499 35.681 ( -14.041 13.848 -0.000) 19.720 38.136 ( 20.566 -3.847 0.000) 20.923 38.911 ( -2.320 -13.939 0.000) 14.131 ======================= Grid point 66 (38/120) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 20.032 34.786 -0.000) 40.142 4.472 ( 11.457 46.678 -0.000) 48.063 5.015 ( -12.819 -13.595 0.000) 18.685 5.877 ( -6.629 -2.435 -0.000) 7.062 6.469 ( 20.768 18.720 -0.000) 27.960 6.828 ( -0.408 3.990 -0.000) 4.010 6.934 ( -5.861 -7.575 0.000) 9.577 8.003 ( 6.148 1.180 0.000) 6.260 8.808 ( -0.700 42.750 -0.000) 42.756 9.472 ( -20.874 -17.038 -0.000) 26.944 9.636 ( -9.987 1.162 -0.000) 10.055 12.963 ( 50.132 -27.790 0.000) 57.319 13.647 ( 69.669 82.537 -0.000) 108.010 14.987 ( -64.725 20.066 -0.000) 67.764 17.361 ( 7.864 6.286 0.000) 10.068 18.020 ( 15.100 1.298 0.000) 15.155 20.170 ( -33.252 -58.417 0.000) 67.218 20.802 ( 1.090 4.251 -0.000) 4.388 20.900 ( 32.145 -88.225 0.000) 93.898 21.039 ( 5.391 6.102 -0.000) 8.143 23.983 ( -59.983 34.658 -0.000) 69.275 26.048 ( -31.671 -37.047 0.000) 48.739 26.571 ( 2.381 5.066 -0.000) 5.598 26.974 ( -14.683 1.573 -0.000) 14.767 30.950 ( 30.798 13.962 0.000) 33.815 31.499 ( 34.032 8.270 0.000) 35.022 34.152 ( -19.783 16.621 -0.000) 25.838 35.350 ( -25.632 -5.339 -0.000) 26.182 38.528 ( 15.837 -1.017 0.000) 15.870 38.757 ( 11.259 -3.490 0.000) 11.788 ======================= Grid point 67 (39/120) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( 16.897 27.588 -0.000) 32.352 4.549 ( -9.245 -2.791 -0.000) 9.657 5.334 ( 6.174 18.496 -0.000) 19.499 5.738 ( -2.537 -1.461 -0.000) 2.927 6.645 ( -6.755 -7.158 0.000) 9.842 6.897 ( -0.585 4.643 -0.000) 4.680 7.069 ( 10.451 8.000 0.000) 13.162 8.105 ( 4.328 -1.558 0.000) 4.599 8.436 ( -29.903 -23.019 -0.000) 37.737 9.448 ( -11.450 2.883 -0.000) 11.807 9.967 ( 4.547 56.931 -0.000) 57.112 11.353 ( -19.448 -75.794 0.000) 78.249 16.074 ( 26.812 61.195 -0.000) 66.811 16.658 ( 65.056 29.563 0.000) 71.459 17.755 ( 11.672 7.360 0.000) 13.799 18.327 ( 14.116 -2.412 0.000) 14.320 18.564 ( -29.140 -4.118 -0.000) 29.430 19.584 ( 3.477 -74.490 0.000) 74.572 20.801 ( 0.494 -2.845 0.000) 2.888 21.313 ( 3.350 7.867 -0.000) 8.550 23.573 ( -42.759 29.501 -0.000) 51.948 24.368 ( -46.220 -37.861 -0.000) 59.748 26.673 ( 0.623 1.906 -0.000) 2.005 26.879 ( 0.064 -1.180 0.000) 1.182 31.671 ( 18.759 5.314 0.000) 19.497 32.093 ( 16.255 -1.823 0.000) 16.357 34.041 ( -14.578 8.904 -0.000) 17.082 34.629 ( -21.167 -9.669 -0.000) 23.271 38.702 ( 10.202 -4.019 0.000) 10.965 39.134 ( 14.560 4.056 0.000) 15.114 ======================= Grid point 68 (40/120) ======================= q-point: ( 0.06 -0.06 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( -6.314 6.314 -0.000) 8.929 5.106 ( -1.581 1.581 -0.000) 2.235 5.573 ( -3.458 3.458 -0.000) 4.890 5.702 ( 0.071 -0.071 0.000) 0.100 6.435 ( -1.438 1.438 -0.000) 2.034 6.942 ( -3.583 3.583 -0.000) 5.067 7.271 ( 1.744 -1.744 0.000) 2.466 7.756 ( -3.833 3.833 -0.000) 5.420 8.133 ( 3.087 -3.087 0.000) 4.366 9.346 ( -8.062 8.062 -0.000) 11.401 10.247 ( 24.728 -24.728 0.000) 34.970 10.764 ( -29.566 29.566 -0.000) 41.813 16.855 ( 44.662 -44.662 0.000) 63.162 17.689 ( -24.645 24.645 -0.000) 34.853 17.979 ( 2.594 -2.594 0.000) 3.668 18.169 ( 45.908 -45.908 0.000) 64.924 18.456 ( 8.765 -8.765 0.000) 12.396 19.196 ( -40.102 40.102 -0.000) 56.713 20.768 ( 2.303 -2.303 0.000) 3.256 21.437 ( -2.357 2.357 -0.000) 3.333 23.187 ( -0.591 0.591 -0.000) 0.835 23.438 ( -31.405 31.405 -0.000) 44.414 26.695 ( 0.549 -0.549 0.000) 0.777 26.871 ( 1.823 -1.823 0.000) 2.578 31.931 ( 5.085 -5.085 0.000) 7.192 32.197 ( 5.120 -5.120 0.000) 7.241 33.993 ( -10.050 10.050 -0.000) 14.213 34.275 ( -0.409 0.409 -0.000) 0.578 38.774 ( 6.925 -6.925 0.000) 9.794 39.347 ( 4.160 -4.160 0.000) 5.883 ======================= Grid point 74 (41/120) ======================= q-point: (-0.51 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( -0.000 -9.832 -10.632) 14.482 4.937 ( 0.000 21.375 8.187) 22.889 5.817 ( -0.000 -14.299 -5.509) 15.323 6.041 ( 0.000 12.433 0.491) 12.442 6.399 ( 0.000 -2.580 4.941) 5.574 6.611 ( -0.000 -0.231 -13.289) 13.291 7.426 ( 0.000 -1.621 12.246) 12.353 7.732 ( -0.000 8.564 -7.333) 11.274 9.725 ( -0.000 -8.937 1.484) 9.059 9.869 ( -0.000 1.182 -0.849) 1.455 10.185 ( -0.000 -62.237 4.074) 62.370 11.374 ( 0.000 39.274 -1.943) 39.322 14.053 ( -0.000 -125.063 0.358) 125.063 16.685 ( 0.000 125.499 0.215) 125.499 17.273 ( -0.000 -2.198 0.152) 2.203 17.299 ( 0.000 1.082 1.318) 1.706 17.970 ( -0.000 -55.300 0.103) 55.300 19.375 ( 0.000 74.432 -0.395) 74.433 20.798 ( 0.000 -13.530 6.813) 15.149 21.216 ( -0.000 12.419 -7.864) 14.699 26.008 ( -0.000 -1.228 -0.928) 1.539 26.043 ( 0.000 5.592 2.195) 6.007 27.032 ( -0.000 -37.325 1.761) 37.366 27.762 ( 0.000 28.896 -2.118) 28.973 30.106 ( -0.000 -13.095 -0.955) 13.129 30.284 ( 0.000 5.028 0.836) 5.097 35.987 ( -0.000 -25.742 -11.895) 28.357 36.064 ( 0.000 5.855 14.660) 15.786 37.200 ( -0.000 -30.223 -2.554) 30.331 37.782 ( 0.000 30.178 1.661) 30.224 ======================= Grid point 75 (42/120) ======================= q-point: (-0.51 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( 1.267 -5.084 -18.495) 19.223 5.218 ( -4.118 -18.239 -10.210) 21.304 5.529 ( 0.837 12.720 -1.492) 12.834 6.162 ( -5.924 7.494 -1.319) 9.644 6.318 ( -2.546 -4.524 -0.384) 5.206 6.595 ( 7.083 -8.302 -16.013) 19.378 7.456 ( 1.803 1.985 9.461) 9.834 7.963 ( -4.407 15.825 -4.577) 17.053 8.577 ( -18.207 -60.223 8.922) 63.545 9.307 ( -16.959 -10.177 8.503) 21.529 9.896 ( -0.560 0.729 -2.700) 2.852 11.784 ( 56.482 -65.321 0.230) 86.354 12.477 ( 34.611 -45.147 0.612) 56.891 16.432 ( -66.252 9.817 -0.189) 66.976 17.252 ( 4.691 -4.927 0.352) 6.812 17.486 ( 12.331 0.795 3.601) 12.871 19.924 ( 48.345 96.713 0.489) 108.125 20.534 ( 3.239 -13.871 5.631) 15.317 20.750 ( -16.531 69.372 -0.535) 71.317 21.444 ( -0.992 9.806 -8.612) 13.088 25.224 ( -54.150 -28.796 0.485) 61.332 26.227 ( -0.833 16.325 2.520) 16.539 26.467 ( 8.941 -13.003 0.437) 15.786 27.637 ( -44.958 11.737 -0.646) 46.469 30.314 ( 38.219 -13.249 -1.375) 40.473 30.624 ( 28.986 -8.701 1.337) 30.293 34.928 ( -31.022 -25.692 -3.379) 40.421 35.726 ( -19.990 -6.570 2.780) 21.225 37.093 ( 36.466 -28.921 7.173) 47.092 38.520 ( 11.022 19.291 -0.388) 22.221 ======================= Grid point 76 (43/120) ======================= q-point: (-0.51 -0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( 21.507 -21.507 -22.871) 38.055 4.670 ( 0.494 -0.494 -22.344) 22.355 5.890 ( -3.875 3.875 9.130) 10.648 6.116 ( -7.121 7.121 -15.887) 18.810 6.186 ( -4.472 4.472 3.378) 7.170 6.573 ( 11.639 -11.639 -17.551) 24.062 7.517 ( -0.839 0.839 6.357) 6.466 7.652 ( 17.536 -17.536 14.008) 28.482 8.118 ( -13.467 13.467 -2.482) 19.206 8.954 ( -5.876 5.876 13.631) 15.964 9.897 ( -1.292 1.292 -4.066) 4.458 11.576 ( 90.503 -90.503 1.665) 128.001 12.615 ( 49.952 -49.952 0.252) 70.643 15.752 ( -67.277 67.277 -0.398) 95.145 17.252 ( 6.746 -6.746 0.249) 9.544 17.655 ( 7.414 -7.414 4.696) 11.488 20.408 ( 9.394 -9.394 5.053) 14.213 21.268 ( -45.383 45.383 0.021) 64.181 21.541 ( -5.454 5.454 -8.774) 11.682 22.438 ( -33.174 33.174 0.100) 46.916 23.408 ( -5.987 5.987 0.224) 8.470 26.434 ( 6.092 -6.092 0.942) 8.666 26.743 ( 0.373 -0.373 2.539) 2.593 26.896 ( -38.013 38.013 -0.219) 53.759 30.724 ( 26.276 -26.276 -3.336) 37.309 30.808 ( 25.608 -25.608 4.891) 36.543 34.232 ( -1.603 1.603 -5.238) 5.707 35.395 ( -6.622 6.622 1.179) 9.439 37.192 ( 35.077 -35.077 10.830) 50.775 38.852 ( -2.807 2.807 -1.220) 4.154 ======================= Grid point 80 (44/120) ======================= q-point: ( 0.49 -0.06 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( -13.145 8.523 21.489) 26.593 4.926 ( -32.817 5.730 13.087) 35.792 5.484 ( 18.171 0.347 10.618) 21.049 5.926 ( 2.673 -10.259 2.846) 10.977 6.363 ( -3.358 -3.485 -11.796) 12.750 6.554 ( -6.561 8.128 5.767) 11.932 7.487 ( 3.779 -3.848 7.476) 9.219 7.868 ( 5.773 1.861 -2.956) 6.748 8.551 ( -47.553 1.496 -7.981) 48.241 9.205 ( -4.234 -12.666 -12.438) 18.250 9.645 ( 12.313 -14.754 5.941) 20.115 12.972 ( 26.733 49.645 0.261) 56.386 13.618 ( -85.326 72.189 -0.417) 111.767 14.982 ( -19.169 -65.308 -0.069) 68.063 17.412 ( -9.129 11.006 1.489) 14.377 17.851 ( -1.782 13.411 -4.751) 14.339 20.166 ( 58.644 -33.242 -0.132) 67.411 20.734 ( -9.840 6.438 -4.954) 12.760 20.894 ( 85.289 31.154 -0.248) 90.801 21.244 ( 6.825 -1.391 8.332) 10.860 23.985 ( -35.336 -59.376 0.047) 69.095 26.020 ( 37.125 -29.806 -0.818) 47.617 26.578 ( -6.621 3.192 0.174) 7.352 26.909 ( -2.031 -16.935 -1.797) 17.150 31.054 ( -13.503 32.512 2.667) 35.305 31.317 ( -11.137 29.797 -4.575) 32.137 34.298 ( -15.488 -20.346 4.019) 25.884 35.271 ( 8.151 -24.450 -1.884) 25.842 38.029 ( -21.155 30.385 -12.008) 38.923 38.723 ( 6.715 9.365 1.742) 11.655 ======================= Grid point 83 (45/120) ======================= q-point: (-0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -0.000 0.000 -45.569) 45.569 0.903 ( -0.000 0.000 -45.569) 45.569 1.457 ( -0.000 0.000 -73.075) 73.075 6.224 ( -0.000 0.000 -2.072) 2.072 6.224 ( -0.000 0.000 -2.072) 2.072 6.729 ( 0.000 -0.000 5.559) 5.559 7.570 ( -0.000 0.000 -2.776) 2.776 7.920 ( 0.000 -0.000 5.016) 5.016 7.920 ( 0.000 -0.000 5.016) 5.016 9.454 ( 0.000 -0.000 0.518) 0.518 9.673 ( 0.000 -0.000 3.886) 3.886 9.673 ( 0.000 -0.000 3.886) 3.886 10.077 ( 0.000 -0.000 0.342) 0.342 17.516 ( 0.000 -0.000 1.917) 1.917 17.516 ( 0.000 -0.000 1.917) 1.917 19.056 ( 0.000 -0.000 0.267) 0.267 20.088 ( 0.000 -0.000 1.857) 1.857 21.864 ( -0.000 0.000 -1.145) 1.145 23.586 ( -0.000 0.000 -0.212) 0.212 23.981 ( -0.000 0.000 -0.304) 0.304 23.981 ( -0.000 0.000 -0.304) 0.304 26.301 ( 0.000 -0.000 1.541) 1.541 27.087 ( 0.000 -0.000 1.380) 1.380 28.695 ( -0.000 0.000 -1.121) 1.121 28.695 ( -0.000 0.000 -1.121) 1.121 29.117 ( 0.000 -0.000 0.346) 0.346 33.944 ( -0.000 0.000 -3.076) 3.076 33.944 ( -0.000 0.000 -3.076) 3.076 35.321 ( -0.000 0.000 -0.228) 0.228 39.315 ( -0.000 0.000 -0.250) 0.250 ======================= Grid point 85 (46/120) ======================= q-point: (-0.07 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 24.556 24.556 -23.335) 41.839 3.582 ( 39.063 39.063 -9.248) 56.013 5.392 ( -14.284 -14.284 -6.005) 21.074 5.953 ( -4.914 -4.914 -0.665) 6.981 5.989 ( 29.396 29.396 -3.453) 41.715 6.726 ( 0.553 0.553 5.680) 5.734 7.204 ( -8.532 -8.532 -11.676) 16.790 7.936 ( 4.344 4.344 -0.040) 6.144 8.218 ( 11.752 11.752 4.061) 17.109 9.595 ( -3.033 -3.033 5.285) 6.807 9.772 ( -9.580 -9.580 -0.269) 13.551 11.708 ( 82.949 82.949 1.679) 117.319 12.628 ( 49.931 49.931 0.121) 70.614 15.739 ( -67.138 -67.138 -0.019) 94.947 17.266 ( 2.463 2.463 0.136) 3.486 17.896 ( 8.106 8.106 2.154) 11.665 20.639 ( 8.719 8.719 1.269) 12.395 21.024 ( 0.035 0.035 -4.928) 4.928 21.267 ( -45.054 -45.054 -0.029) 63.715 22.446 ( -32.930 -32.930 0.086) 46.571 23.420 ( -6.339 -6.339 0.095) 8.966 26.478 ( 4.026 4.026 0.356) 5.705 26.871 ( -0.316 -0.316 1.097) 1.184 26.901 ( -37.533 -37.533 0.217) 53.080 30.559 ( 25.844 25.844 -1.421) 36.577 31.095 ( 28.068 28.068 2.900) 39.800 33.972 ( -0.090 -0.090 -2.226) 2.230 35.464 ( -6.996 -6.996 0.618) 9.914 38.279 ( 15.136 15.136 16.425) 26.981 38.825 ( -4.422 -4.422 0.956) 6.326 ======================= Grid point 86 (47/120) ======================= q-point: (-0.07 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 25.659 25.659 -11.698) 38.126 4.822 ( -12.096 -12.096 -8.771) 19.223 4.914 ( 22.879 22.879 -3.802) 32.579 5.778 ( -3.130 -3.130 0.187) 4.430 6.694 ( 0.532 0.532 5.118) 5.173 6.769 ( 1.346 1.346 6.587) 6.856 7.000 ( 4.805 4.805 -10.804) 12.763 8.075 ( 2.250 2.250 2.188) 3.861 8.999 ( -25.391 -25.391 -3.583) 36.087 9.052 ( 27.824 27.824 2.350) 39.420 9.418 ( -4.771 -4.771 5.622) 8.783 12.880 ( -63.983 -63.983 0.131) 90.485 14.787 ( 52.275 52.275 0.102) 73.928 15.269 ( 81.527 81.527 -0.048) 115.297 17.576 ( 10.774 10.774 -1.408) 15.302 18.243 ( 7.836 7.836 2.500) 11.360 19.319 ( -46.277 -46.277 0.104) 65.445 20.856 ( 0.849 0.849 -3.010) 3.241 20.918 ( -39.908 -39.908 0.061) 56.438 21.142 ( 5.793 5.793 1.765) 8.381 23.210 ( -3.907 -3.907 -0.179) 5.528 25.208 ( -42.885 -42.885 0.339) 60.649 26.626 ( 2.816 2.816 -0.398) 4.002 26.871 ( 0.163 0.163 0.961) 0.988 31.462 ( 16.962 16.962 -1.552) 24.039 31.977 ( 13.317 13.317 2.729) 19.030 33.947 ( -1.016 -1.016 -1.686) 2.215 34.892 ( -17.469 -17.469 1.168) 24.733 38.714 ( 4.650 4.650 -0.358) 6.585 38.939 ( 10.138 10.138 4.888) 15.148 ======================= Grid point 87 (48/120) ======================= q-point: (-0.07 -0.07 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( -4.820 -4.820 -10.220) 12.285 4.964 ( 19.208 19.208 -8.939) 28.597 5.485 ( 5.941 5.941 -1.113) 8.475 5.702 ( -0.725 -0.725 0.763) 1.278 6.398 ( -9.002 -9.002 9.469) 15.866 6.818 ( 0.724 0.724 7.622) 7.690 7.316 ( 5.502 5.502 -7.352) 10.705 7.997 ( -17.169 -17.169 -7.961) 25.553 8.133 ( 0.604 0.604 2.591) 2.728 9.224 ( -2.820 -2.820 6.565) 7.682 10.228 ( 20.422 20.422 -0.084) 28.881 10.820 ( -28.907 -28.907 0.358) 40.882 16.840 ( 43.189 43.189 -0.094) 61.078 17.734 ( -24.215 -24.215 0.245) 34.246 17.965 ( 6.921 6.921 -2.006) 9.991 18.116 ( 45.451 45.451 -0.631) 64.280 18.486 ( 3.220 3.220 2.824) 5.358 19.216 ( -38.891 -38.891 0.077) 55.000 20.832 ( -0.835 -0.835 -3.219) 3.429 21.350 ( 2.987 2.987 2.950) 5.152 23.096 ( -1.467 -1.467 -0.496) 2.134 23.536 ( -31.088 -31.088 0.509) 43.969 26.701 ( 0.840 0.840 -0.879) 1.477 26.879 ( 0.160 0.160 0.940) 0.967 31.939 ( 5.815 5.815 -1.625) 8.383 32.233 ( 1.012 1.012 1.323) 1.949 33.907 ( -0.646 -0.646 -1.392) 1.665 34.323 ( -7.438 -7.438 2.229) 10.753 38.849 ( 1.900 1.900 -2.321) 3.550 39.305 ( 5.315 5.315 3.142) 8.147 ======================= Grid point 92 (49/120) ======================= q-point: ( 0.37 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( 0.000 27.931 17.818) 33.131 5.072 ( -0.000 -10.118 0.083) 10.118 5.605 ( 0.000 25.815 4.447) 26.195 6.059 ( -0.000 -4.248 -0.574) 4.286 6.273 ( 0.000 8.517 3.916) 9.374 6.760 ( -0.000 6.846 -10.446) 12.489 7.260 ( 0.000 -8.692 13.997) 16.476 7.750 ( -0.000 1.611 -3.837) 4.161 9.832 ( -0.000 4.717 -3.098) 5.643 9.890 ( -0.000 -5.197 -1.660) 5.456 10.334 ( 0.000 57.775 -2.979) 57.852 11.301 ( -0.000 -41.819 1.491) 41.846 14.075 ( 0.000 122.461 -0.664) 122.463 16.696 ( -0.000 -126.086 -0.309) 126.086 17.279 ( -0.000 -0.581 -0.131) 0.595 17.349 ( -0.000 -3.592 -1.045) 3.741 17.974 ( 0.000 55.921 -0.084) 55.921 19.360 ( -0.000 -73.976 0.316) 73.977 20.903 ( 0.000 -9.588 6.883) 11.802 21.055 ( -0.000 15.587 -5.349) 16.479 25.971 ( 0.000 -1.421 0.813) 1.637 26.125 ( -0.000 -7.332 -1.671) 7.520 27.101 ( 0.000 37.947 -1.506) 37.977 27.682 ( -0.000 -28.397 1.641) 28.445 30.072 ( 0.000 13.282 0.674) 13.299 30.315 ( -0.000 -4.918 -0.647) 4.960 35.553 ( 0.000 20.619 8.662) 22.365 36.707 ( -0.000 -17.584 -15.322) 23.323 37.122 ( 0.000 30.038 1.293) 30.066 37.871 ( -0.000 -28.814 -2.705) 28.940 ======================= Grid point 93 (50/120) ======================= q-point: ( 0.37 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.790 ( 4.517 24.608 9.598) 26.797 4.930 ( -0.716 -0.471 -3.339) 3.447 5.840 ( -6.397 -8.864 -4.409) 11.787 5.919 ( -7.854 15.649 1.650) 17.587 6.431 ( 3.406 -1.640 -3.098) 4.887 6.904 ( 0.413 6.154 -13.099) 14.479 7.191 ( 2.786 0.849 13.408) 13.721 7.820 ( 0.711 3.653 -2.369) 4.411 9.399 ( -23.443 -14.444 3.473) 27.754 9.903 ( -4.692 3.863 -4.475) 7.548 9.980 ( -9.570 -74.030 3.315) 74.719 11.518 ( 8.287 53.673 -1.347) 54.326 14.440 ( 35.702 -108.490 -0.203) 114.213 16.243 ( -28.982 44.364 0.215) 52.992 17.393 ( 10.487 2.479 2.048) 10.968 17.396 ( 11.728 -7.533 -0.996) 13.974 18.465 ( 35.477 12.716 0.148) 37.688 19.305 ( -7.527 66.340 -0.253) 66.766 20.695 ( 1.957 -11.801 5.478) 13.157 21.359 ( 0.309 12.534 -6.034) 13.914 25.671 ( -34.876 -16.321 -0.358) 38.508 25.884 ( -13.989 12.276 1.452) 18.668 26.856 ( -8.187 -22.442 0.210) 23.890 27.327 ( -33.563 19.321 -0.433) 38.729 30.546 ( 31.486 -6.560 0.743) 32.171 30.680 ( 34.615 0.153 -0.908) 34.627 35.348 ( -33.156 -8.863 5.467) 34.753 35.823 ( -33.337 -5.179 -6.059) 34.277 37.581 ( 27.378 -25.254 1.673) 37.285 38.150 ( 27.713 16.525 -2.116) 32.335 ======================= Grid point 94 (51/120) ======================= q-point: (-0.63 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.891 ( -3.276 4.636 -6.667) 8.756 5.342 ( 4.051 1.012 -0.595) 4.218 5.571 ( 1.299 1.469 -1.429) 2.426 6.011 ( -7.275 9.125 0.928) 11.707 6.334 ( -7.877 0.074 -11.677) 14.086 7.008 ( 0.446 2.439 -15.259) 15.459 7.332 ( 5.144 1.235 10.289) 11.569 7.908 ( -3.186 6.247 -0.377) 7.023 8.230 ( 3.977 -57.042 6.708) 57.572 8.700 ( -18.373 -9.303 11.654) 23.663 9.901 ( -8.068 7.556 -5.783) 12.475 12.983 ( 49.149 25.465 -0.223) 55.355 13.616 ( 74.290 -87.640 -0.196) 114.890 14.982 ( -65.898 -17.778 -0.025) 68.254 17.470 ( 14.502 -12.266 -1.263) 19.036 17.672 ( 11.756 -2.318 3.702) 12.541 20.160 ( -33.092 58.896 0.154) 67.556 20.528 ( 6.053 -10.684 4.521) 13.085 20.889 ( 31.357 87.703 0.048) 93.140 21.556 ( -2.687 7.941 -6.289) 10.480 23.986 ( -58.717 -36.056 -0.030) 68.904 25.987 ( -26.961 37.283 0.711) 46.016 26.583 ( 3.486 -8.137 -0.062) 8.853 26.843 ( -19.775 -2.422 1.317) 19.967 31.069 ( 32.044 -11.277 2.369) 34.053 31.243 ( 27.538 -14.962 -1.380) 31.371 34.439 ( -18.045 -11.211 -2.620) 21.404 35.223 ( -25.783 7.685 0.404) 26.907 37.689 ( 31.719 -27.471 5.068) 42.266 38.808 ( 12.313 4.583 -2.102) 13.305 ======================= Grid point 99 (52/120) ======================= q-point: ( 0.37 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -15.932 15.932 33.530) 40.398 3.841 ( -34.555 34.555 16.637) 51.623 5.560 ( 11.649 -11.649 10.812) 19.705 5.970 ( 5.468 -5.468 0.922) 7.788 6.095 ( -24.426 24.426 7.311) 35.309 6.567 ( -0.127 0.127 -10.213) 10.214 7.459 ( 9.999 -9.999 11.682) 18.342 7.949 ( 0.050 -0.050 1.764) 1.765 8.099 ( -12.775 12.775 -7.982) 19.752 9.444 ( 3.663 -3.663 -9.786) 11.073 9.785 ( 7.517 -7.517 1.264) 10.706 11.665 ( -85.192 85.192 -2.503) 120.506 12.625 ( -49.934 49.934 -0.215) 70.618 15.741 ( 67.187 -67.187 0.138) 95.017 17.262 ( -3.503 3.503 -0.236) 4.960 17.836 ( -7.921 7.921 -3.852) 11.845 20.592 ( -9.470 9.470 -3.464) 13.834 21.164 ( 2.845 -2.845 8.834) 9.707 21.268 ( 45.142 -45.142 0.035) 63.840 22.443 ( 32.989 -32.989 -0.137) 46.654 23.417 ( 6.252 -6.252 -0.173) 8.843 26.468 ( -4.563 4.563 -0.664) 6.487 26.840 ( 0.165 -0.165 -2.000) 2.014 26.896 ( 37.502 -37.502 -0.215) 53.036 30.599 ( -25.955 25.955 2.589) 36.797 31.016 ( -27.603 27.603 -4.871) 39.339 34.035 ( 0.495 -0.495 4.060) 4.120 35.446 ( 6.912 -6.912 -1.140) 9.841 37.875 ( -25.993 25.993 -22.220) 42.954 38.819 ( 4.356 -4.356 0.210) 6.164 ======================= Grid point 101 (53/120) ======================= q-point: (-0.20 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -0.000 -57.401 -31.073) 65.272 2.594 ( -0.000 -34.202 -42.408) 54.482 3.405 ( -0.000 -64.868 -46.601) 79.872 6.131 ( -0.000 13.604 -4.573) 14.352 6.275 ( -0.000 0.767 -3.735) 3.813 6.572 ( 0.000 -0.167 9.874) 9.875 7.653 ( -0.000 -0.771 -2.426) 2.546 7.900 ( 0.000 -12.701 9.643) 15.947 8.101 ( -0.000 -31.202 6.982) 31.974 8.815 ( -0.000 41.165 -15.297) 43.916 9.585 ( 0.000 -1.854 6.907) 7.152 9.660 ( 0.000 -8.302 6.002) 10.245 10.454 ( -0.000 -35.060 0.562) 35.064 17.430 ( 0.000 2.864 3.195) 4.291 17.460 ( 0.000 0.314 3.288) 3.303 18.620 ( 0.000 36.882 0.223) 36.882 20.133 ( 0.000 -8.965 3.497) 9.622 21.548 ( -0.000 20.217 -13.480) 24.299 23.135 ( 0.000 51.623 0.131) 51.623 23.350 ( 0.000 47.448 -0.856) 47.456 24.396 ( -0.000 -35.108 0.209) 35.108 26.249 ( 0.000 1.913 2.436) 3.098 26.909 ( 0.000 11.977 2.467) 12.229 28.622 ( -0.000 5.844 -1.849) 6.130 28.950 ( -0.000 -17.076 -0.097) 17.076 29.479 ( -0.000 -26.900 0.468) 26.904 34.146 ( -0.000 -11.266 -5.828) 12.684 35.315 ( 0.000 -81.871 40.081) 91.155 35.495 ( -0.000 -15.532 -0.478) 15.539 39.213 ( 0.000 10.316 -0.253) 10.319 ======================= Grid point 104 (54/120) ======================= q-point: (-0.20 -0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 23.001 13.775 -23.279) 35.506 4.690 ( 40.284 8.746 -10.418) 42.519 5.258 ( -15.090 -6.982 -10.998) 19.935 5.893 ( -2.858 -8.038 -0.974) 8.586 6.475 ( 10.728 13.237 -1.395) 17.095 6.602 ( 3.855 -1.329 10.339) 11.114 7.270 ( -6.757 -5.628 -12.825) 15.550 7.939 ( -1.168 4.778 3.385) 5.971 8.689 ( 44.897 0.426 5.856) 45.280 9.424 ( 1.847 -10.470 9.165) 14.037 9.550 ( -14.185 -18.647 -3.280) 23.657 12.968 ( -27.300 49.889 -0.202) 56.870 13.629 ( 83.992 70.980 0.661) 109.969 14.984 ( 19.696 -65.009 0.106) 67.927 17.385 ( 7.657 9.377 -1.162) 12.162 17.937 ( 1.532 14.261 3.861) 14.853 20.168 ( -58.527 -33.263 0.083) 67.319 20.809 ( 3.956 6.595 2.230) 8.007 20.900 ( -79.893 29.856 0.375) 85.290 21.101 ( -4.372 0.826 -5.606) 7.157 23.984 ( 34.988 -59.690 -0.042) 69.188 26.034 ( -37.061 -30.850 0.655) 48.225 26.575 ( 5.831 2.811 -0.167) 6.475 26.942 ( 1.806 -15.706 1.476) 15.878 31.002 ( 13.843 31.512 -2.422) 34.503 31.407 ( 9.676 32.097 4.210) 33.787 34.224 ( 16.277 -20.300 -3.348) 26.234 35.309 ( -6.964 -24.913 1.821) 25.932 38.278 ( 13.769 26.579 12.404) 32.402 38.701 ( -6.977 8.273 -0.319) 10.827 ======================= Grid point 105 (55/120) ======================= q-point: (-0.20 -0.09 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.712 ( 22.392 14.145 -11.551) 28.895 4.878 ( -4.762 -2.573 -14.311) 15.300 5.409 ( 15.954 4.374 -3.550) 16.920 5.713 ( -2.775 -2.967 1.060) 4.198 6.451 ( -11.180 -9.422 5.696) 15.691 6.639 ( 4.775 -3.524 12.553) 13.885 7.350 ( 5.999 7.645 -11.294) 14.899 7.997 ( -2.175 3.990 5.699) 7.289 8.654 ( -19.536 -25.009 -10.489) 33.423 9.205 ( 4.550 -12.457 11.618) 17.632 9.951 ( 57.847 5.535 0.859) 58.118 11.350 ( -75.249 -20.277 0.097) 77.933 16.070 ( 61.110 27.107 0.180) 66.852 16.664 ( 29.326 65.032 -0.363) 71.340 17.831 ( 8.138 12.748 -3.629) 15.553 18.232 ( -2.054 13.219 4.443) 14.097 18.560 ( -3.882 -29.147 0.201) 29.405 19.581 ( -74.427 3.530 0.106) 74.511 20.929 ( -2.995 0.217 -5.863) 6.587 21.205 ( 6.715 3.183 5.023) 8.969 23.587 ( 29.784 -42.505 -0.646) 51.906 24.352 ( -37.898 -46.446 0.758) 59.950 26.701 ( 2.469 0.969 -1.287) 2.948 26.844 ( -0.999 -0.099 1.625) 1.910 31.735 ( 5.787 18.702 -2.951) 19.798 32.017 ( -0.605 17.050 3.576) 17.432 34.104 ( 9.264 -15.363 -3.071) 18.201 34.556 ( -11.369 -21.107 3.279) 24.197 38.774 ( -2.539 11.360 -3.406) 12.129 38.996 ( 6.111 15.667 6.021) 17.862 ======================= Grid point 106 (56/120) ======================= q-point: (-0.20 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( 1.640 -1.640 -15.693) 15.863 5.463 ( -0.865 0.865 -14.059) 14.112 5.619 ( 4.083 -4.083 -3.691) 6.853 5.665 ( -0.510 0.510 1.137) 1.346 5.966 ( 1.792 -1.792 19.363) 19.528 6.655 ( 4.854 -4.854 13.725) 15.346 7.545 ( -1.700 1.700 -10.046) 10.330 8.022 ( -3.244 3.244 5.618) 7.253 8.083 ( 3.375 -3.375 -14.979) 15.721 9.107 ( 9.278 -9.278 11.605) 17.517 10.243 ( -23.762 23.762 0.207) 33.606 10.773 ( 29.427 -29.427 -0.452) 41.619 16.853 ( -44.442 44.442 0.137) 62.850 17.698 ( 24.584 -24.584 -0.403) 34.769 18.075 ( -2.616 2.616 -4.561) 5.873 18.147 ( -44.340 44.340 1.089) 62.716 18.365 ( -9.878 9.878 4.213) 14.591 19.200 ( 39.819 -39.819 -0.197) 56.312 20.885 ( -2.522 2.522 -5.503) 6.558 21.320 ( 2.163 -2.163 5.549) 6.336 23.170 ( 0.727 -0.727 0.829) 1.320 23.457 ( 31.368 -31.368 -0.913) 44.371 26.732 ( -0.487 0.487 -1.720) 1.853 26.838 ( -1.590 1.590 1.570) 2.743 31.998 ( -4.527 4.527 -3.106) 7.115 32.154 ( -5.392 5.392 2.106) 7.911 34.043 ( 9.734 -9.734 -2.534) 13.997 34.186 ( 0.602 -0.602 4.010) 4.099 38.868 ( -6.983 6.983 -4.563) 10.879 39.240 ( -3.687 3.687 4.924) 7.172 ======================= Grid point 111 (57/120) ======================= q-point: ( 0.24 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 0.000 37.301 19.690) 42.179 4.725 ( 0.000 48.500 5.245) 48.783 5.310 ( -0.000 -15.504 2.882) 15.770 5.724 ( 0.000 34.549 3.971) 34.776 6.149 ( 0.000 -2.306 1.646) 2.833 6.792 ( -0.000 4.607 -5.513) 7.184 7.229 ( 0.000 -12.036 12.448) 17.315 7.765 ( -0.000 2.448 -1.282) 2.763 9.255 ( 0.000 47.730 -3.172) 47.836 9.802 ( -0.000 3.996 -2.865) 4.917 9.993 ( -0.000 0.593 -1.700) 1.801 11.155 ( 0.000 77.175 -0.797) 77.179 12.175 ( 0.000 40.425 -0.787) 40.433 17.310 ( 0.000 3.261 0.046) 3.262 17.325 ( -0.000 -2.870 -0.785) 2.975 17.444 ( -0.000 -3.052 -1.078) 3.236 19.234 ( -0.000 -116.299 -0.184) 116.299 20.789 ( 0.000 17.114 -2.540) 17.302 20.896 ( -0.000 -72.132 0.275) 72.133 20.931 ( 0.000 -5.201 5.509) 7.576 26.053 ( -0.000 -6.284 -0.235) 6.289 26.249 ( 0.000 42.014 -0.676) 42.020 26.370 ( -0.000 -9.450 -1.243) 9.532 28.146 ( -0.000 -18.806 1.007) 18.833 29.731 ( 0.000 17.974 0.286) 17.976 30.310 ( 0.000 6.985 -0.342) 6.994 34.918 ( 0.000 26.664 4.046) 26.969 36.492 ( 0.000 28.759 0.532) 28.764 37.333 ( -0.000 -11.527 -17.735) 21.151 38.476 ( -0.000 -24.372 -1.878) 24.445 ======================= Grid point 112 (58/120) ======================= q-point: ( 0.24 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 7.010 34.757 11.307) 37.216 5.017 ( -4.505 -6.930 1.738) 8.446 5.404 ( -8.537 30.978 2.884) 32.262 5.991 ( -7.213 -3.160 -0.264) 7.879 6.407 ( 13.486 11.050 -1.014) 17.464 6.922 ( -1.204 8.212 -6.033) 10.260 6.983 ( -2.564 -5.524 9.684) 11.440 7.851 ( 4.963 -0.903 -1.390) 5.233 9.630 ( -19.983 -10.869 0.556) 22.754 9.881 ( -7.178 5.253 -3.880) 9.704 10.237 ( -11.399 65.273 -1.314) 66.274 11.405 ( 9.844 -58.310 0.711) 59.139 14.448 ( 33.234 104.958 -0.237) 110.094 16.270 ( -28.268 -43.235 -0.226) 51.656 17.312 ( 5.742 2.557 0.525) 6.307 17.571 ( 15.876 -6.501 -1.166) 17.195 18.480 ( 36.033 -13.538 -0.111) 38.492 19.284 ( -7.026 -65.662 0.133) 66.037 20.802 ( 0.713 -7.194 3.828) 8.180 21.160 ( 2.011 14.812 -2.902) 15.227 25.634 ( -33.290 11.970 0.274) 35.377 25.999 ( -17.278 -15.461 -0.675) 23.195 26.876 ( -14.847 22.980 -0.143) 27.359 27.296 ( -25.396 -18.858 0.157) 31.632 30.470 ( 32.329 8.890 0.859) 33.540 30.759 ( 35.193 -2.601 -0.996) 35.303 35.120 ( -25.633 16.719 3.622) 30.817 36.056 ( -45.122 -1.305 -3.706) 45.293 37.894 ( 34.083 -1.169 -2.333) 34.182 38.156 ( 20.979 -16.429 -2.782) 26.792 ======================= Grid point 113 (59/120) ======================= q-point: ( 0.24 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.769 ( 6.235 19.354 5.753) 21.132 4.863 ( -4.156 11.620 2.917) 12.681 5.737 ( -5.963 15.644 1.106) 16.778 5.766 ( -5.810 -3.434 -2.189) 7.095 6.558 ( -3.458 -3.202 -7.631) 8.969 7.018 ( 3.464 5.952 4.759) 8.371 7.123 ( 1.353 8.833 -1.968) 9.150 7.910 ( 4.908 -3.128 -1.221) 5.947 8.730 ( -31.187 -16.221 4.142) 35.396 9.765 ( -3.105 -79.695 1.058) 79.762 9.829 ( -11.711 4.339 -3.748) 13.039 11.630 ( -2.715 80.161 -0.446) 80.208 15.433 ( 56.547 -71.556 -0.415) 91.203 15.818 ( -6.476 -32.020 0.189) 32.669 17.611 ( 13.321 2.744 1.787) 13.718 17.759 ( 19.226 -11.694 -1.401) 22.547 19.005 ( -10.322 41.099 0.143) 42.376 19.216 ( 22.185 60.790 -0.090) 64.712 20.666 ( 3.280 -9.199 3.025) 10.224 21.455 ( -0.111 10.806 -3.234) 11.280 24.695 ( -54.199 -31.827 -0.208) 62.854 25.274 ( -42.778 30.771 0.397) 52.697 26.762 ( -4.528 -6.006 0.096) 7.522 26.826 ( -8.324 0.359 0.152) 8.333 31.180 ( 30.300 -3.571 1.670) 30.555 31.466 ( 32.946 -4.876 -1.593) 33.343 34.645 ( -25.772 -3.625 1.739) 26.084 35.128 ( -37.310 1.185 -2.370) 37.404 38.112 ( 25.324 -19.203 1.786) 31.832 38.754 ( 23.289 4.384 -2.332) 23.812 ======================= Grid point 114 (60/120) ======================= q-point: ( 0.24 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( -10.036 10.036 1.759) 14.301 5.292 ( -2.669 2.669 7.138) 8.075 5.664 ( 1.169 -1.169 -3.140) 3.549 5.838 ( -8.106 8.106 0.629) 11.481 6.443 ( -5.733 5.733 -12.826) 15.174 7.125 ( -5.589 5.589 -2.804) 8.386 7.265 ( 0.559 -0.559 3.699) 3.783 7.930 ( 3.960 -3.960 -1.132) 5.713 8.110 ( -7.714 7.714 7.002) 12.962 8.711 ( 41.929 -41.929 3.136) 59.379 9.784 ( -12.341 12.341 -4.361) 17.989 12.872 ( -65.231 65.231 -0.020) 92.251 14.770 ( 52.594 -52.594 0.080) 74.379 15.317 ( 83.038 -83.038 -0.450) 117.435 17.806 ( 6.472 -6.472 2.289) 9.434 17.843 ( 17.048 -17.048 -1.519) 24.157 19.297 ( -46.778 46.778 0.138) 66.155 20.595 ( 7.115 -7.115 2.686) 10.414 20.911 ( -39.725 39.725 0.019) 56.180 21.572 ( -5.048 5.048 -3.344) 7.883 23.240 ( -2.363 2.363 -0.151) 3.345 25.152 ( -44.301 44.301 0.282) 62.652 26.640 ( 3.393 -3.393 0.707) 4.851 26.743 ( 2.964 -2.964 -0.028) 4.191 31.515 ( 15.899 -15.899 2.332) 22.605 31.737 ( 16.566 -16.566 -1.465) 23.474 34.299 ( -1.911 1.911 -2.172) 3.467 34.706 ( -20.546 20.546 0.866) 29.069 38.186 ( 22.760 -22.760 2.399) 32.277 39.056 ( 7.054 -7.054 -1.884) 10.152 ======================= Grid point 121 (61/120) ======================= q-point: (-0.33 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( -0.000 -14.857 -36.325) 39.246 4.202 ( -0.000 -49.661 -23.092) 54.767 5.400 ( -0.000 -45.604 -29.398) 54.258 5.875 ( 0.000 19.209 -3.796) 19.581 6.326 ( -0.000 2.518 -4.382) 5.054 6.393 ( 0.000 -1.879 8.860) 9.057 7.631 ( 0.000 2.018 3.802) 4.305 8.132 ( 0.000 -32.395 11.856) 34.497 8.356 ( -0.000 29.406 -11.297) 31.501 9.078 ( -0.000 -77.551 8.484) 78.014 9.527 ( 0.000 -10.153 6.851) 12.249 9.760 ( 0.000 -9.971 4.306) 10.860 11.345 ( -0.000 -45.898 0.440) 45.900 17.305 ( 0.000 2.371 3.062) 3.872 17.382 ( 0.000 0.570 3.500) 3.546 17.767 ( 0.000 38.564 -0.163) 38.565 20.297 ( 0.000 -14.099 4.884) 14.921 21.469 ( 0.000 97.980 0.307) 97.981 21.482 ( -0.000 11.425 -10.969) 15.838 22.303 ( 0.000 59.543 -0.862) 59.549 25.260 ( -0.000 -45.767 0.763) 45.773 26.129 ( 0.000 4.465 2.041) 4.909 26.562 ( 0.000 14.738 3.070) 15.054 28.514 ( 0.000 9.974 -2.391) 10.256 29.356 ( -0.000 -19.867 -1.028) 19.894 29.993 ( -0.000 -20.960 0.757) 20.974 34.646 ( -0.000 -23.175 -8.120) 24.556 35.850 ( 0.000 -39.145 27.352) 47.754 35.950 ( -0.000 -25.849 -0.978) 25.867 38.897 ( 0.000 19.941 0.254) 19.943 ======================= Grid point 122 (62/120) ======================= q-point: (-0.33 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 21.072 -21.072 -35.167) 46.095 3.788 ( 15.025 -15.025 -39.777) 45.096 4.923 ( 40.823 -40.823 -38.549) 69.419 6.207 ( -4.727 4.727 2.616) 7.179 6.231 ( -6.541 6.541 -8.790) 12.760 6.375 ( -0.386 0.386 7.097) 7.118 7.580 ( 3.068 -3.068 14.080) 14.734 7.671 ( -2.230 2.230 0.185) 3.159 8.512 ( 50.924 -50.924 12.365) 73.071 8.756 ( -22.027 22.027 -9.082) 32.448 9.358 ( -2.048 2.048 10.362) 10.759 9.682 ( 9.652 -9.652 4.053) 14.240 10.814 ( 34.066 -34.066 0.443) 48.178 17.267 ( -3.921 3.921 3.209) 6.407 17.484 ( 4.661 -4.661 4.379) 7.913 18.120 ( -42.682 42.682 0.023) 60.361 20.135 ( 7.542 -7.542 4.472) 11.566 21.638 ( -9.281 9.281 -10.131) 16.580 22.892 ( -30.615 30.615 -0.173) 43.296 23.590 ( -20.542 20.542 -0.460) 29.054 23.747 ( -9.408 9.408 0.055) 13.305 26.255 ( 3.393 -3.393 2.560) 5.439 26.842 ( -3.132 3.132 3.001) 5.350 28.201 ( -23.565 23.565 -0.533) 33.330 29.497 ( 27.499 -27.499 -2.791) 38.989 29.752 ( 25.558 -25.558 2.039) 36.202 34.152 ( -0.220 0.220 -6.335) 6.343 35.242 ( 19.851 -19.851 8.325) 29.282 35.861 ( 35.696 -35.696 10.819) 51.629 39.131 ( -8.342 8.342 -0.311) 11.801 ======================= Grid point 125 (63/120) ======================= q-point: (-0.33 -0.10 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 19.380 8.328 -11.426) 23.989 5.109 ( -15.640 2.735 -4.004) 16.375 5.489 ( 19.848 -3.135 -6.297) 21.058 5.822 ( -7.523 -7.455 -0.121) 10.592 6.482 ( 6.715 -4.477 7.997) 11.362 6.548 ( -4.952 -1.916 -0.530) 5.337 7.481 ( 2.686 2.050 -11.598) 12.080 7.763 ( -4.350 4.577 8.071) 10.247 9.280 ( 10.591 -17.756 10.348) 23.120 9.352 ( -13.931 -21.435 -7.305) 26.588 9.935 ( 73.648 -6.474 2.882) 73.989 11.580 ( -82.593 -0.584 -0.971) 82.601 15.395 ( 70.782 55.305 -0.568) 89.828 15.844 ( 32.927 -6.163 0.595) 33.504 17.603 ( 8.438 14.861 -3.023) 17.355 17.819 ( -4.766 16.732 4.177) 17.892 19.020 ( -41.041 -12.541 0.262) 42.915 19.210 ( -61.542 24.986 -0.037) 66.421 20.988 ( 10.474 2.295 3.653) 11.328 21.092 ( -7.316 1.275 -4.848) 8.869 24.671 ( 30.757 -54.878 -0.504) 62.912 25.317 ( -31.200 -43.591 0.811) 53.612 26.730 ( 7.397 -2.211 -0.990) 7.783 26.885 ( -4.279 -9.645 1.499) 10.658 31.261 ( 6.735 32.594 -2.833) 33.403 31.406 ( -0.984 32.248 3.488) 32.451 34.668 ( 17.694 -30.791 -3.885) 35.725 35.061 ( -12.284 -33.050 3.547) 35.437 38.379 ( 12.939 27.368 6.032) 30.868 38.546 ( -10.311 20.204 -2.270) 22.796 ======================= Grid point 126 (64/120) ======================= q-point: ( 0.67 -0.10 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( -9.781 4.474 -4.689) 11.733 5.335 ( 20.267 12.635 1.912) 23.959 5.567 ( -7.709 0.584 4.202) 8.799 5.703 ( 7.887 -4.529 0.636) 9.117 6.137 ( -11.947 -14.062 -5.198) 19.170 6.538 ( 9.812 -8.548 10.871) 16.956 7.644 ( -0.734 6.032 -8.440) 10.400 7.800 ( -0.553 4.415 6.923) 8.229 8.632 ( -7.429 -16.849 -15.585) 24.124 9.151 ( 13.968 -18.033 12.843) 26.177 9.904 ( -61.804 8.735 -1.366) 62.433 11.348 ( 74.210 -22.088 0.006) 77.427 16.062 ( -60.891 27.754 -0.200) 66.918 16.687 ( -28.547 64.839 0.719) 70.849 18.007 ( -9.985 15.165 4.667) 18.747 18.025 ( 1.337 11.468 -5.290) 12.700 18.550 ( 3.145 -29.199 -0.256) 29.369 19.577 ( 74.355 3.533 -0.082) 74.439 20.941 ( -7.612 3.453 -6.416) 10.537 21.225 ( 6.603 -0.832 7.050) 9.695 23.618 ( -30.417 -41.952 0.781) 51.824 24.316 ( 38.010 -46.950 -0.938) 60.415 26.747 ( -2.958 1.063 -0.438) 3.174 26.780 ( -0.239 0.267 -0.056) 0.363 31.836 ( -3.731 19.254 -3.029) 19.845 31.883 ( -4.918 16.887 2.041) 17.707 34.245 ( -8.303 -14.421 2.831) 16.880 34.431 ( 13.136 -22.523 -1.800) 26.136 38.723 ( -11.537 17.253 -5.931) 21.585 38.969 ( 1.902 12.559 5.032) 13.662 ======================= Grid point 130 (65/120) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 45.749 -0.000) 45.749 3.402 ( 0.000 70.945 -0.000) 70.945 4.536 ( 0.000 76.911 -0.000) 76.911 5.652 ( -0.000 -19.456 0.000) 19.456 6.170 ( -0.000 -1.508 0.000) 1.508 6.788 ( 0.000 1.223 -0.000) 1.223 7.267 ( -0.000 -7.149 0.000) 7.149 7.698 ( 0.000 4.694 -0.000) 4.694 8.502 ( 0.000 28.146 -0.000) 28.146 9.465 ( 0.000 67.558 -0.000) 67.558 9.766 ( 0.000 2.607 -0.000) 2.607 9.936 ( 0.000 6.328 -0.000) 6.328 11.368 ( 0.000 45.885 -0.000) 45.885 17.413 ( -0.000 -4.318 0.000) 4.318 17.506 ( -0.000 -1.714 0.000) 1.714 17.760 ( -0.000 -39.261 0.000) 39.261 20.469 ( 0.000 15.274 -0.000) 15.274 20.929 ( -0.000 -1.370 0.000) 1.370 21.479 ( -0.000 -97.811 0.000) 97.811 22.273 ( -0.000 -59.122 0.000) 59.122 25.294 ( 0.000 46.691 -0.000) 46.691 26.201 ( -0.000 -6.641 0.000) 6.641 26.668 ( -0.000 -14.901 0.000) 14.901 28.431 ( -0.000 -9.967 0.000) 9.967 29.339 ( 0.000 18.876 -0.000) 18.876 30.020 ( 0.000 21.157 -0.000) 21.157 34.362 ( 0.000 21.570 -0.000) 21.570 35.919 ( 0.000 25.159 -0.000) 25.159 37.815 ( -0.000 -10.656 0.000) 10.656 38.935 ( -0.000 -17.550 0.000) 17.550 ======================= Grid point 131 (66/120) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 10.159 40.431 -0.000) 41.688 4.474 ( -10.363 55.546 -0.000) 56.505 5.218 ( -6.272 -14.820 0.000) 16.093 6.000 ( 22.986 27.913 -0.000) 36.159 6.039 ( -7.767 -1.966 -0.000) 8.012 6.841 ( -0.613 4.695 -0.000) 4.735 7.043 ( -4.494 -8.117 0.000) 9.278 7.860 ( 6.749 1.600 0.000) 6.936 9.023 ( -17.112 49.298 -0.000) 52.184 9.755 ( -7.376 0.090 -0.000) 7.376 9.886 ( -11.410 -2.016 -0.000) 11.586 11.808 ( 52.323 48.884 -0.000) 71.605 12.546 ( 35.009 51.357 -0.000) 62.155 16.424 ( -65.915 -8.791 -0.000) 66.499 17.273 ( 0.000 0.669 -0.000) 0.669 17.686 ( 15.726 -2.995 0.000) 16.009 19.954 ( 49.243 -97.310 0.000) 109.061 20.721 ( -16.320 -68.722 0.000) 70.634 20.795 ( -0.596 9.479 -0.000) 9.498 20.936 ( 4.460 3.077 0.000) 5.418 25.251 ( -55.934 27.487 -0.000) 62.323 26.359 ( -3.440 -18.203 0.000) 18.525 26.491 ( 6.751 11.570 -0.000) 13.396 27.611 ( -38.798 -11.855 -0.000) 40.569 30.216 ( 36.572 14.307 0.000) 39.271 30.738 ( 34.495 6.908 0.000) 35.179 34.629 ( -21.591 24.991 -0.000) 33.027 35.965 ( -33.117 11.630 -0.000) 35.100 38.020 ( 31.174 -6.176 0.000) 31.780 38.571 ( 6.577 -18.310 0.000) 19.455 ======================= Grid point 132 (67/120) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 15.038 34.855 -0.000) 37.961 4.815 ( -11.954 -4.975 -0.000) 12.949 5.267 ( -0.763 29.213 -0.000) 29.223 5.833 ( -6.763 -1.976 -0.000) 7.046 6.759 ( 14.862 9.870 0.000) 17.841 6.773 ( -5.574 -7.345 0.000) 9.221 6.961 ( -1.093 8.811 -0.000) 8.878 7.991 ( 6.276 -2.218 0.000) 6.657 9.079 ( -30.172 -19.844 -0.000) 36.113 9.713 ( -12.683 6.001 -0.000) 14.032 10.019 ( -8.420 71.444 -0.000) 71.938 11.547 ( 0.998 -84.609 0.000) 84.615 15.380 ( 54.170 69.571 -0.000) 88.173 15.867 ( -5.964 33.956 -0.000) 34.476 17.498 ( 11.951 6.183 0.000) 13.455 17.967 ( 19.294 -6.234 0.000) 20.276 19.029 ( -13.959 -40.923 0.000) 43.238 19.211 ( 26.825 -62.219 0.000) 67.756 20.784 ( 1.059 -4.821 0.000) 4.936 21.244 ( 3.139 11.950 -0.000) 12.355 24.652 ( -55.285 29.962 -0.000) 62.882 25.345 ( -43.892 -31.474 -0.000) 54.010 26.693 ( -3.461 6.120 -0.000) 7.031 26.939 ( -7.969 -4.811 -0.000) 9.309 31.148 ( 30.869 5.198 0.000) 31.303 31.548 ( 34.778 -1.523 0.000) 34.811 34.498 ( -27.862 13.687 -0.000) 31.042 35.230 ( -36.101 -5.972 -0.000) 36.591 38.405 ( 18.181 -10.588 0.000) 21.040 38.728 ( 24.448 0.806 0.000) 24.461 ======================= Grid point 133 (68/120) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( -12.987 5.979 -0.000) 14.297 4.972 ( 11.461 20.514 -0.000) 23.498 5.636 ( -3.142 11.205 -0.000) 11.637 5.712 ( -1.525 -1.038 -0.000) 1.844 6.537 ( -6.514 -1.995 -0.000) 6.812 7.019 ( -2.251 6.295 -0.000) 6.686 7.182 ( 5.253 3.519 0.000) 6.323 8.033 ( 0.008 -5.564 0.000) 5.564 8.077 ( -19.270 -9.540 -0.000) 21.503 9.588 ( -13.982 10.048 -0.000) 17.217 9.853 ( 12.316 -66.521 0.000) 67.651 11.350 ( -23.657 73.480 -0.000) 77.194 16.056 ( 28.334 -60.683 0.000) 66.972 16.716 ( 64.470 -27.582 0.000) 70.123 17.843 ( 10.024 0.777 0.000) 10.054 18.173 ( 17.567 -11.961 0.000) 21.252 18.541 ( -29.307 2.409 -0.000) 29.406 19.576 ( 3.426 74.315 -0.000) 74.394 20.707 ( 3.360 -5.957 0.000) 6.839 21.475 ( -1.213 7.304 -0.000) 7.404 23.644 ( -41.476 -30.992 -0.000) 51.776 24.283 ( -47.395 38.133 -0.000) 60.831 26.685 ( -0.364 -1.091 0.000) 1.150 26.824 ( 2.174 -3.742 0.000) 4.328 31.685 ( 18.962 -3.824 0.000) 19.344 31.996 ( 16.015 -7.559 0.000) 17.710 34.241 ( -12.620 9.269 -0.000) 15.658 34.491 ( -23.417 -2.315 -0.000) 23.531 38.531 ( 16.512 -12.735 0.000) 20.852 39.163 ( 13.607 -1.262 0.000) 13.666 ======================= Grid point 139 (69/120) ======================= q-point: (-0.45 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.634 ( -0.000 -5.239 -19.731) 20.414 5.267 ( -0.000 -6.393 -5.325) 8.321 5.540 ( -0.000 2.831 -4.145) 5.019 6.230 ( -0.000 4.970 -4.889) 6.971 6.334 ( 0.000 -2.770 2.370) 3.645 6.506 ( -0.000 -9.510 -17.844) 20.220 7.436 ( 0.000 2.296 10.573) 10.819 8.015 ( 0.000 18.555 -4.981) 19.212 8.870 ( -0.000 -58.204 8.398) 58.807 9.523 ( 0.000 -10.156 4.003) 10.916 9.864 ( -0.000 -4.723 1.217) 4.878 11.082 ( -0.000 -94.582 1.110) 94.589 12.122 ( -0.000 -34.931 0.489) 34.934 17.238 ( 0.000 -0.766 1.681) 1.847 17.300 ( 0.000 -1.741 1.360) 2.209 17.336 ( 0.000 -0.669 0.980) 1.186 19.214 ( 0.000 116.390 0.372) 116.390 20.500 ( 0.000 -14.828 5.697) 15.885 20.927 ( 0.000 72.681 -0.636) 72.684 21.454 ( -0.000 10.737 -8.742) 13.846 26.024 ( 0.000 2.412 0.608) 2.488 26.180 ( -0.000 -40.613 1.202) 40.630 26.224 ( 0.000 8.179 2.986) 8.707 28.262 ( 0.000 19.228 -2.334) 19.370 29.778 ( -0.000 -17.979 -1.163) 18.017 30.269 ( -0.000 -7.012 0.834) 7.062 35.387 ( -0.000 -30.061 -9.398) 31.495 35.966 ( 0.000 -15.481 17.480) 23.350 36.569 ( -0.000 -30.207 -1.889) 30.266 38.388 ( 0.000 27.415 0.858) 27.429 ======================= Grid point 140 (70/120) ======================= q-point: (-0.45 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( -0.485 -29.035 -27.180) 39.775 4.695 ( -0.559 -13.413 -26.154) 29.398 5.873 ( 1.867 13.273 6.943) 15.095 6.188 ( 8.021 -13.342 -21.765) 26.759 6.275 ( -3.431 3.030 -0.075) 4.578 6.389 ( -0.157 -4.377 -13.142) 13.852 7.526 ( -0.084 4.102 7.001) 8.115 7.600 ( -10.503 -29.747 15.264) 35.046 8.376 ( -9.436 20.780 -1.363) 22.862 9.156 ( -11.750 -4.481 10.572) 16.429 9.750 ( 34.345 -44.175 2.014) 55.992 9.937 ( 43.077 -53.715 2.251) 68.891 11.695 ( 33.355 -45.543 0.275) 56.451 17.099 ( -51.553 44.134 -0.184) 67.865 17.192 ( -4.931 2.993 1.803) 6.043 17.470 ( 9.529 -2.250 4.209) 10.657 20.254 ( 5.158 -12.288 4.889) 14.195 21.634 ( -3.271 9.456 -8.644) 13.223 21.854 ( 13.274 76.231 0.667) 77.381 22.143 ( -0.867 69.924 -0.914) 69.935 24.483 ( -59.179 -40.192 0.428) 71.539 26.282 ( 9.495 -4.361 1.656) 10.579 26.591 ( 7.767 14.862 2.756) 16.994 27.856 ( -46.963 11.638 -0.842) 48.390 29.996 ( 39.118 -17.544 -1.943) 42.916 30.283 ( 24.341 -24.055 1.739) 34.265 34.462 ( -19.376 -17.200 -5.181) 26.421 35.497 ( -1.909 -14.495 3.220) 14.971 36.419 ( 36.167 -35.233 8.289) 51.168 38.887 ( -0.789 15.373 -0.317) 15.396 ======================= Grid point 145 (71/120) ======================= q-point: ( 0.55 -0.12 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( -13.491 13.491 14.148) 23.752 5.176 ( -15.720 15.720 8.536) 23.813 5.413 ( 8.827 -8.827 18.906) 22.655 5.760 ( 4.199 -4.199 -0.968) 6.016 6.306 ( 0.927 -0.927 -15.262) 15.318 6.598 ( 4.531 -4.531 2.179) 6.768 7.471 ( -2.826 2.826 10.154) 10.912 7.894 ( -0.136 0.136 -6.152) 6.155 8.825 ( -16.347 16.347 -10.554) 25.413 9.071 ( -10.175 10.175 -9.074) 17.012 9.278 ( 19.372 -19.372 9.805) 29.098 12.873 ( 64.492 -64.492 -0.125) 91.205 14.780 ( -52.395 52.395 -0.211) 74.098 15.278 ( -82.351 82.351 0.501) 116.463 17.674 ( -13.116 13.116 3.259) 18.833 18.074 ( -7.257 7.257 -5.430) 11.610 19.311 ( 46.471 -46.471 -0.263) 65.720 20.881 ( -7.786 7.786 -4.450) 11.876 20.914 ( 39.821 -39.821 -0.103) 56.315 21.193 ( 3.267 -3.267 6.670) 8.113 23.222 ( 3.316 -3.316 0.383) 4.705 25.186 ( 43.342 -43.342 -0.704) 61.299 26.651 ( -3.926 3.926 0.680) 5.594 26.806 ( -0.278 0.278 -2.051) 2.089 31.567 ( -17.011 17.011 3.408) 24.298 31.794 ( -14.730 14.730 -5.796) 21.622 34.069 ( 1.595 -1.595 4.197) 4.765 34.815 ( 18.902 -18.902 -2.364) 26.836 38.542 ( -19.126 19.126 -8.651) 28.398 38.869 ( -4.202 4.202 2.782) 6.562 ======================= Grid point 158 (72/120) ======================= q-point: ( 0.42 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.742 ( 0.000 27.004 10.643) 29.025 4.938 ( -0.000 -2.699 -5.278) 5.928 5.915 ( -0.000 -9.067 -4.343) 10.054 6.031 ( 0.000 15.881 0.522) 15.889 6.361 ( -0.000 0.759 -0.813) 1.112 6.893 ( -0.000 4.703 -14.516) 15.259 7.166 ( 0.000 -0.811 13.579) 13.603 7.815 ( 0.000 5.800 -1.236) 5.930 9.712 ( -0.000 -10.811 -0.128) 10.812 9.894 ( -0.000 -0.422 -1.506) 1.564 10.110 ( -0.000 -65.206 3.401) 65.294 11.409 ( 0.000 38.087 -1.580) 38.119 14.048 ( -0.000 -126.015 0.142) 126.015 16.681 ( 0.000 125.193 0.098) 125.193 17.271 ( -0.000 -3.573 0.126) 3.575 17.275 ( 0.000 -0.125 1.057) 1.065 17.969 ( -0.000 -55.000 0.083) 55.000 19.382 ( 0.000 74.656 -0.319) 74.656 20.674 ( 0.000 -12.374 5.523) 13.550 21.356 ( -0.000 13.220 -6.079) 14.551 26.003 ( 0.000 4.745 1.807) 5.077 26.024 ( -0.000 -2.465 -0.715) 2.566 27.000 ( -0.000 -36.990 1.371) 37.015 27.800 ( 0.000 29.117 -1.728) 29.168 30.124 ( -0.000 -12.900 -0.792) 12.924 30.268 ( 0.000 5.033 0.673) 5.078 35.816 ( 0.000 3.522 10.347) 10.930 36.205 ( -0.000 -29.210 -9.852) 30.827 37.252 ( -0.000 -30.656 -2.642) 30.769 37.756 ( 0.000 30.718 1.030) 30.735 ======================= Grid point 159 (73/120) ======================= q-point: (-0.58 -0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.932 ( -1.101 3.269 -10.859) 11.393 5.271 ( 2.729 13.830 4.423) 14.774 5.620 ( -4.769 -9.909 -8.213) 13.726 6.169 ( -7.729 8.894 -0.529) 11.795 6.413 ( 0.309 1.251 -7.412) 7.523 6.952 ( 3.671 -2.432 -19.233) 19.730 7.241 ( 3.179 4.143 11.808) 12.911 7.987 ( -3.640 11.675 2.283) 12.440 8.409 ( -18.483 -66.928 7.827) 69.873 9.159 ( -22.564 -12.170 6.327) 26.406 9.954 ( 3.343 -1.084 -2.925) 4.572 11.781 ( 57.582 -69.327 0.100) 90.122 12.469 ( 34.523 -43.824 0.268) 55.790 16.436 ( -66.324 10.213 -0.170) 67.106 17.246 ( 6.259 -6.355 0.265) 8.923 17.421 ( 11.292 0.076 2.872) 11.652 19.915 ( 48.106 96.552 0.364) 107.873 20.431 ( 3.301 -13.107 4.556) 14.264 20.759 ( -16.607 69.676 -0.438) 71.629 21.594 ( -1.118 10.067 -6.386) 11.974 25.215 ( -53.606 -29.174 0.388) 61.031 26.181 ( -0.026 15.797 2.087) 15.934 26.459 ( 9.577 -13.555 0.356) 16.601 27.649 ( -46.848 11.909 -0.599) 48.342 30.333 ( 36.698 -12.657 -0.591) 38.824 30.607 ( 29.496 -9.277 0.401) 30.924 34.968 ( -31.319 -22.534 -0.816) 38.592 35.702 ( -16.144 -8.712 -0.137) 18.345 36.995 ( 32.167 -30.986 3.167) 44.776 38.530 ( 12.783 18.854 -0.580) 22.786 ======================= Grid point 160 (74/120) ======================= q-point: (-0.58 -0.13 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( -5.056 5.056 -12.731) 14.601 5.098 ( 13.403 -13.403 -20.634) 28.018 5.677 ( -2.337 2.337 10.471) 10.980 6.174 ( -7.084 7.084 -0.844) 10.053 6.418 ( -5.867 5.867 -14.504) 16.710 6.963 ( 5.840 -5.840 -21.286) 22.833 7.358 ( -1.203 1.203 9.343) 9.496 7.365 ( 22.278 -22.278 14.663) 34.751 8.108 ( -11.554 11.554 3.612) 16.734 8.698 ( -7.265 7.265 11.826) 15.666 9.977 ( 1.246 -1.246 -3.773) 4.164 11.550 ( 92.557 -92.557 0.977) 130.898 12.611 ( 49.963 -49.963 0.195) 70.659 15.760 ( -67.288 67.288 -0.369) 95.161 17.247 ( 8.321 -8.321 0.181) 11.769 17.570 ( 7.205 -7.205 3.727) 10.849 20.316 ( 9.103 -9.103 4.105) 13.512 21.268 ( -45.482 45.482 0.043) 64.322 21.692 ( -5.410 5.410 -6.378) 9.961 22.437 ( -33.266 33.266 0.053) 47.046 23.404 ( -5.864 5.864 0.184) 8.295 26.416 ( 6.719 -6.719 0.820) 9.537 26.698 ( 0.709 -0.709 2.026) 2.261 26.901 ( -38.459 38.459 -0.304) 54.390 30.724 ( 24.524 -24.524 3.560) 34.865 30.785 ( 26.420 -26.420 -2.717) 37.462 34.327 ( -2.060 2.060 -4.263) 5.163 35.376 ( -6.737 6.737 0.749) 9.558 37.034 ( 34.930 -34.930 5.560) 49.711 38.876 ( -1.913 1.913 -1.158) 2.942 ======================= Grid point 167 (75/120) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.000 0.000 -44.618) 44.618 1.794 ( -0.000 0.000 -44.618) 44.618 2.868 ( -0.000 0.000 -69.540) 69.540 6.282 ( -0.000 0.000 -3.692) 3.692 6.282 ( -0.000 0.000 -3.692) 3.692 6.571 ( 0.000 -0.000 10.262) 10.262 7.647 ( -0.000 0.000 -4.924) 4.924 7.773 ( 0.000 -0.000 9.901) 9.901 7.773 ( 0.000 -0.000 9.901) 9.901 9.434 ( 0.000 -0.000 1.748) 1.748 9.563 ( 0.000 -0.000 7.158) 7.158 9.563 ( 0.000 -0.000 7.158) 7.158 10.068 ( 0.000 -0.000 0.618) 0.618 17.462 ( 0.000 -0.000 3.448) 3.448 17.462 ( 0.000 -0.000 3.448) 3.448 19.048 ( 0.000 -0.000 0.476) 0.476 20.036 ( 0.000 -0.000 3.342) 3.342 21.897 ( -0.000 0.000 -2.060) 2.060 23.592 ( -0.000 0.000 -0.354) 0.354 23.989 ( -0.000 0.000 -0.546) 0.546 23.989 ( -0.000 0.000 -0.546) 0.546 26.258 ( 0.000 -0.000 2.750) 2.750 27.048 ( 0.000 -0.000 2.490) 2.490 28.726 ( -0.000 0.000 -2.021) 2.021 28.726 ( -0.000 0.000 -2.021) 2.021 29.107 ( 0.000 -0.000 0.623) 0.623 34.031 ( -0.000 0.000 -5.531) 5.531 34.031 ( -0.000 0.000 -5.531) 5.531 35.328 ( -0.000 0.000 -0.430) 0.430 39.322 ( -0.000 0.000 -0.451) 0.451 ======================= Grid point 170 (76/120) ======================= q-point: (-0.14 -0.14 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.237 ( 20.621 20.621 -17.138) 33.826 5.021 ( 20.021 20.021 -6.873) 29.137 5.067 ( -10.534 -10.534 -15.554) 21.537 5.772 ( -3.640 -3.640 0.413) 5.164 6.582 ( 0.523 0.523 12.128) 12.151 6.612 ( -1.836 -1.836 2.947) 3.928 7.237 ( 3.150 3.150 -12.642) 13.404 8.007 ( 1.468 1.468 4.732) 5.167 8.978 ( 26.546 26.546 5.365) 37.923 9.107 ( -22.750 -22.750 -7.234) 32.977 9.263 ( -2.153 -2.153 9.541) 10.015 12.876 ( -64.196 -64.196 0.175) 90.787 14.784 ( 52.324 52.324 0.178) 73.998 15.271 ( 81.911 81.911 -0.223) 115.839 17.616 ( 11.729 11.729 -2.568) 16.785 18.173 ( 7.588 7.588 4.442) 11.614 19.316 ( -46.356 -46.356 0.197) 65.557 20.916 ( 4.062 4.062 -1.668) 5.982 20.916 ( -39.869 -39.869 0.099) 56.383 21.116 ( 1.639 1.639 -0.374) 2.348 23.215 ( -3.664 -3.664 -0.317) 5.191 25.199 ( -43.058 -43.058 0.591) 60.897 26.637 ( 3.274 3.274 -0.672) 4.679 26.844 ( 0.198 0.198 1.722) 1.745 31.505 ( 17.011 17.011 -2.770) 24.217 31.901 ( 13.962 13.962 4.810) 20.323 33.996 ( -1.286 -1.286 -3.172) 3.657 34.859 ( -18.102 -18.102 2.020) 25.680 38.688 ( 12.336 12.336 4.597) 18.041 38.850 ( 6.559 6.559 2.004) 9.490 ======================= Grid point 171 (77/120) ======================= q-point: (-0.14 -0.14 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( -3.839 -3.839 -17.805) 18.614 5.180 ( 20.808 20.808 -10.907) 31.383 5.516 ( 5.107 5.107 -1.999) 7.494 5.680 ( -0.922 -0.922 1.375) 1.895 6.184 ( -15.049 -15.049 10.253) 23.624 6.600 ( 0.233 0.233 14.212) 14.215 7.496 ( 5.587 5.587 -10.227) 12.924 8.047 ( 0.481 0.481 5.266) 5.310 8.223 ( -14.992 -14.992 -13.563) 25.169 9.035 ( -2.784 -2.784 12.315) 12.929 10.230 ( 20.940 20.940 -0.152) 29.615 10.810 ( -28.985 -28.985 0.605) 40.996 16.842 ( 43.460 43.460 -0.162) 61.462 17.727 ( -24.306 -24.306 0.436) 34.377 18.018 ( 12.281 12.281 -3.228) 17.665 18.137 ( 40.436 40.436 -1.624) 57.209 18.408 ( 3.012 3.012 4.965) 6.542 19.214 ( -38.988 -38.988 0.171) 55.137 20.922 ( -1.011 -1.011 -5.733) 5.909 21.267 ( 2.812 2.812 5.332) 6.652 23.110 ( -1.325 -1.325 -0.884) 2.072 23.522 ( -31.137 -31.137 0.919) 44.044 26.726 ( 1.006 1.006 -1.579) 2.126 26.852 ( 0.175 0.175 1.697) 1.715 31.983 ( 5.824 5.824 -2.777) 8.692 32.195 ( 1.785 1.785 2.511) 3.561 33.948 ( -0.727 -0.727 -2.774) 2.958 34.263 ( -7.964 -7.964 3.739) 11.867 38.915 ( 2.303 2.303 -4.302) 5.396 39.219 ( 5.807 5.807 5.427) 9.843 ======================= Grid point 176 (78/120) ======================= q-point: ( 0.29 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 0.000 35.391 11.783) 37.301 5.061 ( -0.000 -7.201 0.701) 7.235 5.536 ( 0.000 29.724 2.467) 29.826 6.072 ( -0.000 -2.683 -0.654) 2.761 6.225 ( 0.000 13.798 1.249) 13.854 6.934 ( -0.000 9.045 -6.589) 11.190 7.017 ( 0.000 -8.063 9.614) 12.548 7.794 ( -0.000 0.346 -0.942) 1.003 9.883 ( -0.000 3.408 -1.922) 3.912 9.922 ( -0.000 -6.628 -1.404) 6.775 10.380 ( 0.000 56.835 -1.587) 56.857 11.278 ( -0.000 -42.657 0.813) 42.664 14.087 ( 0.000 121.380 -0.451) 121.380 16.701 ( -0.000 -126.260 -0.194) 126.261 17.281 ( -0.000 -1.464 -0.076) 1.466 17.365 ( -0.000 -4.404 -0.575) 4.442 17.976 ( 0.000 56.123 -0.047) 56.123 19.355 ( -0.000 -73.831 0.175) 73.831 20.794 ( 0.000 -8.227 3.944) 9.124 21.138 ( 0.000 16.159 -2.949) 16.425 25.958 ( -0.000 -2.302 0.465) 2.348 26.150 ( -0.000 -7.890 -0.913) 7.943 27.125 ( 0.000 38.123 -0.853) 38.133 27.657 ( -0.000 -28.225 0.900) 28.239 30.061 ( 0.000 13.265 0.350) 13.269 30.325 ( -0.000 -4.858 -0.351) 4.871 35.421 ( 0.000 19.544 4.646) 20.088 36.954 ( -0.000 -24.215 -9.028) 25.843 37.103 ( 0.000 30.064 0.618) 30.070 37.922 ( -0.000 -28.589 -2.191) 28.673 ======================= Grid point 177 (79/120) ======================= q-point: ( 0.29 -0.15 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 5.489 29.789 7.162) 31.126 4.973 ( -3.463 2.703 -1.137) 4.538 5.894 ( -8.615 16.958 0.724) 19.035 5.908 ( -6.530 -4.265 -2.266) 8.122 6.529 ( 6.304 2.059 -6.452) 9.252 6.927 ( 2.043 1.356 11.874) 12.124 7.144 ( -0.911 11.072 -9.225) 14.440 7.827 ( 2.882 -0.662 1.103) 3.156 9.353 ( -26.871 -14.948 1.339) 30.778 9.922 ( -10.056 -76.932 1.860) 77.609 9.981 ( -1.610 2.163 -2.606) 3.750 11.539 ( 7.977 52.897 -0.747) 53.501 14.444 ( 36.114 -108.880 -0.161) 114.713 16.240 ( -29.132 44.390 0.097) 53.096 17.361 ( 9.552 1.777 1.134) 9.782 17.412 ( 12.849 -8.439 -0.560) 15.383 18.463 ( 35.395 12.633 0.077) 37.582 19.309 ( -7.608 66.458 -0.143) 66.892 20.609 ( 2.014 -10.954 3.067) 11.552 21.453 ( 0.256 12.922 -3.281) 13.334 25.676 ( -35.130 -17.042 -0.185) 39.046 25.861 ( -13.403 11.654 0.829) 17.781 26.852 ( -7.081 -22.365 0.112) 23.460 27.334 ( -35.009 19.443 -0.254) 40.046 30.530 ( 29.328 -4.759 0.669) 29.719 30.698 ( 36.665 -1.627 -0.800) 36.710 35.257 ( -30.161 -4.946 3.355) 30.748 35.926 ( -36.000 -9.065 -3.870) 37.325 37.559 ( 24.805 -25.863 0.616) 35.841 38.188 ( 29.729 13.768 -1.520) 32.798 ======================= Grid point 178 (80/120) ======================= q-point: ( 0.29 -0.15 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.972 ( -7.664 10.225 -2.098) 12.949 5.252 ( 4.359 13.690 5.521) 15.391 5.673 ( -2.954 -5.075 -5.477) 8.030 6.004 ( -8.207 10.478 0.049) 13.310 6.568 ( -4.277 4.603 -11.414) 13.029 7.105 ( 5.227 2.758 10.223) 11.808 7.309 ( -2.574 7.397 -12.120) 14.430 7.874 ( 1.034 0.783 3.447) 3.683 8.133 ( 7.076 -64.887 2.979) 65.340 8.507 ( -23.021 -9.183 7.407) 25.868 9.992 ( -6.321 6.136 -3.234) 9.384 12.986 ( 48.985 25.045 -0.126) 55.017 13.620 ( 74.880 -88.301 -0.185) 115.776 14.982 ( -66.073 -17.271 -0.026) 68.293 17.490 ( 15.664 -13.301 -0.713) 20.562 17.615 ( 11.251 -2.499 2.035) 11.704 20.157 ( -33.014 58.979 0.094) 67.590 20.457 ( 5.919 -10.402 2.533) 12.233 20.888 ( 31.233 87.910 0.013) 93.294 21.652 ( -2.757 8.029 -3.388) 9.140 23.987 ( -58.503 -36.289 -0.015) 68.844 25.976 ( -25.825 37.303 0.412) 45.372 26.584 ( 3.313 -8.554 -0.016) 9.173 26.823 ( -20.664 -2.540 0.699) 20.831 31.026 ( 30.025 -11.446 1.685) 32.176 31.272 ( 28.669 -15.126 -1.230) 32.438 34.477 ( -16.444 -8.669 -1.277) 18.633 35.221 ( -27.151 6.301 -0.053) 27.873 37.619 ( 31.211 -28.168 2.247) 42.102 38.842 ( 13.270 3.693 -1.266) 13.832 ======================= Grid point 185 (81/120) ======================= q-point: (-0.27 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -0.000 -43.789 -35.156) 56.155 3.344 ( -0.000 -42.585 -35.518) 55.453 4.448 ( -0.000 -31.259 -55.655) 63.833 6.209 ( 0.000 11.755 -0.420) 11.763 6.359 ( -0.000 0.728 -4.615) 4.672 6.370 ( 0.000 -0.528 7.541) 7.560 7.665 ( 0.000 -13.061 13.989) 19.138 7.701 ( -0.000 3.730 -2.064) 4.263 7.875 ( 0.000 -34.836 14.599) 37.772 9.015 ( 0.000 29.692 -5.114) 30.129 9.426 ( 0.000 -2.672 8.867) 9.261 9.527 ( 0.000 -10.710 7.211) 12.911 10.442 ( -0.000 -35.193 0.625) 35.198 17.358 ( 0.000 2.320 3.970) 4.598 17.386 ( 0.000 -0.030 4.090) 4.090 18.615 ( 0.000 36.449 0.272) 36.450 20.054 ( 0.000 -8.638 4.348) 9.671 21.755 ( -0.000 14.087 -8.149) 16.274 23.132 ( 0.000 52.384 0.198) 52.385 23.369 ( 0.000 46.956 -1.069) 46.968 24.395 ( -0.000 -34.292 -0.079) 34.293 26.195 ( 0.000 1.309 3.014) 3.286 26.853 ( 0.000 11.964 3.088) 12.356 28.663 ( -0.000 5.755 -2.284) 6.191 28.966 ( -0.000 -16.270 -1.436) 16.333 29.469 ( -0.000 -26.761 0.550) 26.766 34.278 ( -0.000 -11.866 -7.247) 13.904 34.830 ( -0.000 -52.657 13.176) 54.281 35.506 ( -0.000 -15.670 -0.646) 15.684 39.219 ( 0.000 10.718 -0.376) 10.725 ======================= Grid point 189 (82/120) ======================= q-point: (-0.27 -0.16 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.901 ( 18.944 13.099 -5.889) 23.772 5.163 ( -12.888 1.961 -13.382) 18.682 5.487 ( 12.916 2.422 -4.080) 13.760 5.696 ( -4.014 -4.161 0.457) 5.800 6.355 ( 4.713 -6.621 12.814) 15.174 6.408 ( -10.971 -11.171 -0.160) 15.658 7.573 ( 5.713 6.115 -10.671) 13.561 7.859 ( -3.340 4.298 8.010) 9.684 8.890 ( -16.325 -21.065 -12.818) 29.573 8.939 ( 5.594 -14.343 14.705) 21.290 9.930 ( 59.542 6.946 1.248) 59.958 11.349 ( -74.725 -21.145 0.053) 77.659 16.067 ( 61.010 27.416 0.213) 66.887 16.674 ( 28.996 64.967 -0.584) 71.146 17.914 ( 8.994 13.889 -4.591) 17.172 18.133 ( -1.705 12.355 5.420) 13.599 18.556 ( -3.558 -29.173 0.253) 29.390 19.579 ( -74.386 3.549 0.110) 74.470 21.036 ( 4.141 1.902 -1.197) 4.712 21.115 ( -1.735 1.093 0.352) 2.081 23.602 ( 30.085 -42.240 -0.794) 51.864 24.335 ( -37.947 -46.687 0.941) 60.170 26.729 ( 3.158 1.360 -1.480) 3.743 26.808 ( -0.877 -0.282 1.937) 2.144 31.800 ( 6.356 18.570 -3.477) 19.933 31.937 ( 0.530 17.586 4.357) 18.125 34.174 ( 9.594 -15.623 -3.836) 18.730 34.487 ( -13.043 -21.268 3.483) 25.191 38.828 ( 6.802 15.430 1.523) 16.931 38.894 ( -0.099 13.276 0.566) 13.288 ======================= Grid point 190 (83/120) ======================= q-point: ( 0.73 -0.16 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.015 ( -5.466 5.466 -16.349) 18.084 5.553 ( 2.859 -2.859 21.884) 22.255 5.596 ( -1.962 1.962 -0.708) 2.863 5.622 ( 0.165 -0.165 0.538) 0.586 5.890 ( 2.155 -2.155 -19.086) 19.328 6.354 ( 7.778 -7.778 15.740) 19.202 7.739 ( -1.913 1.913 -9.144) 9.536 7.887 ( -3.299 3.299 7.823) 9.109 8.410 ( 3.051 -3.051 -17.494) 18.018 8.838 ( 10.803 -10.803 15.276) 21.605 10.238 ( -22.787 22.787 0.231) 32.226 10.784 ( 29.277 -29.277 -0.619) 41.408 16.849 ( -44.169 44.169 0.179) 62.464 17.707 ( 24.516 -24.516 -0.518) 34.675 18.120 ( -40.253 40.253 1.617) 56.950 18.179 ( -2.686 2.686 -5.826) 6.954 18.273 ( -13.485 13.485 4.815) 19.670 19.205 ( 39.521 -39.521 -0.251) 55.892 21.008 ( -2.832 2.832 -6.703) 7.808 21.195 ( 2.026 -2.026 6.897) 7.468 23.151 ( 0.906 -0.906 1.061) 1.663 23.478 ( 31.300 -31.300 -1.145) 44.279 26.770 ( -0.562 0.562 -2.023) 2.173 26.803 ( -1.213 1.213 1.848) 2.522 32.066 ( -3.790 3.790 -3.636) 6.476 32.104 ( -5.613 5.613 2.887) 8.447 34.100 ( 0.730 -0.730 4.501) 4.618 34.105 ( 9.281 -9.281 -3.629) 13.618 38.973 ( -6.950 6.950 -5.951) 11.490 39.132 ( -3.118 3.118 5.826) 7.306 ======================= Grid point 194 (84/120) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 0.000 42.595 -0.000) 42.595 4.673 ( 0.000 50.583 -0.000) 50.583 5.281 ( -0.000 -15.182 0.000) 15.182 5.685 ( 0.000 36.683 -0.000) 36.683 6.132 ( -0.000 -2.150 0.000) 2.150 6.848 ( 0.000 4.841 -0.000) 4.841 7.098 ( -0.000 -8.809 0.000) 8.809 7.777 ( 0.000 2.633 -0.000) 2.633 9.286 ( 0.000 47.139 -0.000) 47.139 9.831 ( 0.000 3.536 -0.000) 3.536 10.011 ( 0.000 0.232 -0.000) 0.232 11.163 ( 0.000 75.248 -0.000) 75.248 12.183 ( 0.000 41.044 -0.000) 41.044 17.309 ( 0.000 3.279 -0.000) 3.279 17.333 ( -0.000 -3.189 0.000) 3.189 17.454 ( -0.000 -3.267 0.000) 3.267 19.236 ( -0.000 -116.280 0.000) 116.280 20.814 ( 0.000 17.319 -0.000) 17.319 20.875 ( -0.000 -4.045 0.000) 4.045 20.893 ( -0.000 -72.100 0.000) 72.100 26.055 ( -0.000 -6.630 0.000) 6.630 26.255 ( 0.000 42.097 -0.000) 42.097 26.383 ( -0.000 -9.549 0.000) 9.549 28.136 ( -0.000 -18.766 0.000) 18.766 29.728 ( 0.000 17.906 -0.000) 17.906 30.314 ( 0.000 6.977 -0.000) 6.977 34.878 ( 0.000 26.431 -0.000) 26.431 36.487 ( 0.000 28.679 -0.000) 28.679 37.516 ( -0.000 -18.397 0.000) 18.397 38.498 ( -0.000 -24.152 0.000) 24.152 ======================= Grid point 195 (85/120) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 7.462 37.532 -0.000) 38.267 4.998 ( -5.541 -5.849 0.000) 8.057 5.375 ( -8.695 32.337 -0.000) 33.486 5.994 ( -7.350 -2.523 -0.000) 7.771 6.423 ( 15.864 14.475 -0.000) 21.475 6.873 ( -3.818 -7.691 0.000) 8.587 6.989 ( -1.122 9.751 -0.000) 9.816 7.863 ( 5.362 -1.335 0.000) 5.526 9.625 ( -21.086 -11.450 -0.000) 23.994 9.921 ( -6.108 4.313 -0.000) 7.478 10.249 ( -11.668 65.455 -0.000) 66.487 11.398 ( 9.940 -58.627 0.000) 59.464 14.450 ( 33.058 104.619 -0.000) 109.718 16.272 ( -28.226 -43.111 0.000) 51.530 17.307 ( 5.363 2.226 0.000) 5.807 17.583 ( 16.240 -6.763 0.000) 17.592 18.481 ( 36.076 -13.614 0.000) 38.559 19.283 ( -6.990 -65.615 0.000) 65.987 20.763 ( 0.813 -6.789 0.000) 6.838 21.189 ( 1.978 15.094 -0.000) 15.223 25.632 ( -33.175 11.666 -0.000) 35.167 26.005 ( -17.494 -15.654 0.000) 23.475 26.877 ( -15.314 23.019 -0.000) 27.648 27.295 ( -24.855 -18.842 -0.000) 31.190 30.461 ( 31.963 8.806 0.000) 33.154 30.769 ( 35.693 -2.543 0.000) 35.783 35.084 ( -24.902 16.336 -0.000) 29.782 36.093 ( -45.825 -0.449 -0.000) 45.828 37.915 ( 31.974 -5.554 0.000) 32.452 38.188 ( 22.351 -15.155 0.000) 27.005 ======================= Grid point 196 (86/120) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( 8.708 24.396 -0.000) 25.904 4.836 ( -8.525 9.197 -0.000) 12.540 5.727 ( -5.997 16.517 -0.000) 17.572 5.788 ( -5.925 -2.461 -0.000) 6.416 6.663 ( -5.354 -2.193 -0.000) 5.786 6.908 ( 11.213 4.738 0.000) 12.172 7.181 ( -3.430 12.082 -0.000) 12.560 7.919 ( 5.959 -4.424 0.000) 7.422 8.689 ( -32.680 -16.608 -0.000) 36.658 9.752 ( -2.330 -85.389 0.000) 85.421 9.869 ( -11.501 8.359 -0.000) 14.218 11.635 ( -2.897 79.980 -0.000) 80.033 15.437 ( 56.631 -71.574 0.000) 91.269 15.817 ( -6.497 -31.983 0.000) 32.636 17.594 ( 13.035 2.572 0.000) 13.287 17.773 ( 19.620 -11.982 0.000) 22.990 19.004 ( -10.135 41.096 -0.000) 42.327 19.217 ( 21.948 60.738 -0.000) 64.582 20.636 ( 3.297 -8.930 0.000) 9.519 21.488 ( -0.140 10.921 -0.000) 10.922 24.697 ( -54.135 -31.918 -0.000) 62.844 25.270 ( -42.683 30.729 -0.000) 52.594 26.760 ( -5.667 -5.073 0.000) 7.606 26.825 ( -7.296 -0.789 -0.000) 7.338 31.163 ( 29.988 -3.578 0.000) 30.201 31.482 ( 33.093 -5.088 0.000) 33.482 34.627 ( -25.164 -2.218 -0.000) 25.261 35.153 ( -37.843 0.036 -0.000) 37.843 38.094 ( 24.977 -19.414 0.000) 31.635 38.778 ( 23.474 3.592 0.000) 23.747 ======================= Grid point 197 (87/120) ======================= q-point: ( 0.17 -0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.755 ( -12.099 12.099 -0.000) 17.111 5.217 ( -3.390 3.390 -0.000) 4.794 5.697 ( 0.133 -0.133 0.000) 0.188 5.832 ( -8.360 8.360 -0.000) 11.823 6.592 ( -6.373 6.373 -0.000) 9.012 7.078 ( 2.221 -2.221 0.000) 3.141 7.284 ( -7.602 7.602 -0.000) 10.751 7.939 ( 5.508 -5.508 0.000) 7.789 8.040 ( -9.071 9.071 -0.000) 12.828 8.679 ( 44.103 -44.103 0.000) 62.371 9.828 ( -11.832 11.832 -0.000) 16.733 12.872 ( -65.290 65.290 -0.000) 92.334 14.769 ( 52.611 -52.611 0.000) 74.403 15.322 ( 83.069 -83.069 0.000) 117.477 17.783 ( 6.412 -6.412 0.000) 9.067 17.859 ( 17.397 -17.397 0.000) 24.603 19.296 ( -46.804 46.804 -0.000) 66.190 20.568 ( 7.007 -7.007 0.000) 9.910 20.910 ( -39.719 39.719 -0.000) 56.171 21.605 ( -5.108 5.108 -0.000) 7.224 23.242 ( -2.281 2.281 -0.000) 3.226 25.149 ( -44.395 44.395 -0.000) 62.784 26.632 ( 3.171 -3.171 0.000) 4.485 26.744 ( 3.382 -3.382 0.000) 4.783 31.492 ( 15.938 -15.938 0.000) 22.540 31.751 ( 16.496 -16.496 0.000) 23.329 34.321 ( -1.898 1.898 -0.000) 2.685 34.698 ( -20.655 20.655 -0.000) 29.210 38.163 ( 22.771 -22.771 0.000) 32.203 39.075 ( 7.344 -7.344 0.000) 10.386 ======================= Grid point 204 (88/120) ======================= q-point: (-0.40 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.506 ( -0.000 -9.954 -27.648) 29.385 4.680 ( -0.000 -38.192 -24.749) 45.510 5.854 ( 0.000 14.498 6.791) 16.009 6.035 ( -0.000 -24.465 -33.212) 41.250 6.315 ( -0.000 1.611 -2.119) 2.662 6.419 ( -0.000 2.056 -5.425) 5.802 7.526 ( 0.000 6.518 6.892) 9.486 7.872 ( 0.000 -35.940 14.270) 38.669 8.429 ( 0.000 10.156 3.449) 10.726 8.946 ( -0.000 -68.901 4.933) 69.077 9.399 ( 0.000 -14.352 5.784) 15.473 9.683 ( -0.000 -12.404 3.308) 12.838 11.337 ( -0.000 -46.079 0.311) 46.080 17.244 ( 0.000 1.243 3.037) 3.282 17.312 ( 0.000 -0.220 3.472) 3.479 17.770 ( 0.000 38.321 -0.148) 38.322 20.200 ( 0.000 -13.435 4.863) 14.288 21.463 ( 0.000 98.046 0.327) 98.047 21.673 ( -0.000 10.555 -8.394) 13.486 22.320 ( 0.000 59.787 -0.878) 59.794 25.246 ( -0.000 -45.036 0.615) 45.040 26.088 ( 0.000 3.255 2.052) 3.848 26.499 ( 0.000 14.680 3.121) 15.008 28.563 ( 0.000 9.946 -2.403) 10.232 29.380 ( -0.000 -19.677 -1.395) 19.726 29.978 ( -0.000 -20.804 0.754) 20.818 34.809 ( -0.000 -24.166 -8.115) 25.492 35.440 ( 0.000 -33.758 14.968) 36.928 35.971 ( -0.000 -26.383 -1.114) 26.406 38.894 ( 0.000 20.661 0.086) 20.661 ======================= Grid point 205 (89/120) ======================= q-point: (-0.40 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 15.711 -15.711 -35.659) 42.015 4.471 ( 16.845 -16.845 -30.393) 38.616 5.753 ( 21.148 -21.148 -43.516) 52.802 6.017 ( -2.138 2.138 13.020) 13.367 6.362 ( -3.592 3.592 -2.400) 5.618 6.412 ( -3.067 3.067 -9.368) 10.323 7.263 ( 3.526 -3.526 17.924) 18.604 7.648 ( -5.927 5.927 2.194) 8.665 8.229 ( 52.342 -52.342 15.258) 75.579 8.850 ( -13.556 13.556 -0.148) 19.171 9.145 ( -3.085 3.085 10.888) 11.730 9.614 ( 13.434 -13.434 2.781) 19.201 10.805 ( 34.259 -34.259 0.442) 48.451 17.203 ( -2.899 2.899 3.185) 5.192 17.397 ( 4.567 -4.567 4.359) 7.792 18.120 ( -42.319 42.319 0.019) 59.849 20.045 ( 7.289 -7.289 4.468) 11.235 21.805 ( -6.951 6.951 -6.967) 12.048 22.895 ( -30.655 30.655 -0.107) 43.353 23.600 ( -20.912 20.912 -0.497) 29.578 23.746 ( -9.721 9.721 0.036) 13.748 26.204 ( 4.109 -4.109 2.546) 6.345 26.782 ( -3.003 3.003 3.032) 5.218 28.219 ( -24.155 24.155 -1.211) 34.182 29.554 ( 27.764 -27.764 -2.824) 39.365 29.716 ( 23.950 -23.950 1.637) 33.910 34.280 ( -0.688 0.688 -6.344) 6.418 35.117 ( 23.450 -23.450 3.973) 33.400 35.751 ( 23.814 -23.814 2.340) 33.759 39.138 ( -8.427 8.427 -0.385) 11.924 ======================= Grid point 222 (90/120) ======================= q-point: (-0.52 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( -0.000 2.485 -11.992) 12.246 5.241 ( 0.000 18.260 6.078) 19.245 5.685 ( -0.000 -12.224 -9.140) 15.263 6.293 ( 0.000 9.793 -2.105) 10.017 6.365 ( -0.000 0.957 -4.844) 4.938 6.905 ( -0.000 -3.987 -21.208) 21.579 7.208 ( 0.000 4.700 12.173) 13.049 8.029 ( 0.000 14.688 3.323) 15.059 8.708 ( -0.000 -64.348 7.688) 64.806 9.466 ( -0.000 -12.495 1.708) 12.611 9.850 ( -0.000 -6.265 0.232) 6.270 11.063 ( -0.000 -99.407 0.803) 99.410 12.116 ( -0.000 -33.674 0.188) 33.675 17.208 ( 0.000 -2.068 1.328) 2.458 17.264 ( 0.000 -1.018 1.829) 2.094 17.329 ( -0.000 -2.155 0.045) 2.155 19.208 ( 0.000 116.375 0.283) 116.376 20.397 ( 0.000 -13.974 4.567) 14.701 20.939 ( 0.000 72.897 -0.517) 72.898 21.605 ( -0.000 10.882 -6.390) 12.619 26.013 ( 0.000 1.051 0.508) 1.167 26.159 ( -0.000 -38.743 0.903) 38.754 26.170 ( 0.000 6.439 2.444) 6.887 28.305 ( 0.000 19.363 -1.894) 19.455 29.800 ( -0.000 -17.751 -1.027) 17.780 30.254 ( -0.000 -7.002 0.682) 7.035 35.558 ( -0.000 -31.564 -7.575) 32.460 35.689 ( 0.000 -15.282 10.774) 18.698 36.606 ( -0.000 -31.076 -1.788) 31.127 38.375 ( 0.000 28.083 0.497) 28.088 ======================= Grid point 223 (91/120) ======================= q-point: (-0.52 -0.19 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.923 ( -0.197 -14.433 -23.440) 27.528 5.128 ( -3.148 -9.395 -18.325) 20.832 5.682 ( 0.605 7.228 9.830) 12.217 6.314 ( -6.526 5.576 -2.634) 8.979 6.490 ( -0.248 4.746 -10.921) 11.910 6.822 ( 6.446 -8.996 -26.603) 28.813 7.265 ( -9.373 -34.481 16.993) 39.567 7.381 ( -1.739 7.005 8.611) 11.236 8.316 ( -6.122 14.993 7.018) 17.650 8.965 ( -16.295 -6.187 8.393) 19.345 9.720 ( 53.055 -68.409 0.975) 86.577 9.906 ( 30.486 -35.467 1.222) 46.785 11.691 ( 33.371 -45.695 0.186) 56.584 17.103 ( -46.731 39.754 -0.246) 61.353 17.159 ( -8.281 5.940 1.506) 10.302 17.394 ( 8.934 -2.579 3.364) 9.888 20.165 ( 5.077 -11.779 3.924) 13.413 21.777 ( -2.189 10.672 -5.822) 12.352 21.842 ( 13.051 74.507 0.434) 75.643 22.160 ( -1.681 69.719 -0.732) 69.743 24.475 ( -58.894 -39.841 0.336) 71.105 26.252 ( 9.934 -5.129 1.352) 11.262 26.541 ( 8.262 14.379 2.232) 16.733 27.873 ( -48.062 11.927 -0.854) 49.527 30.026 ( 37.953 -17.040 -1.033) 41.616 30.260 ( 24.046 -24.057 0.613) 34.019 34.551 ( -19.029 -15.358 -3.802) 24.748 35.452 ( 2.328 -14.854 1.329) 15.094 36.314 ( 30.354 -33.173 3.049) 45.068 38.894 ( -0.110 15.376 -0.373) 15.380 ======================= Grid point 241 (92/120) ======================= q-point: ( 0.35 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 0.000 30.914 7.357) 31.778 5.007 ( -0.000 1.828 -2.027) 2.729 5.983 ( -0.000 -5.463 -2.362) 5.952 6.022 ( 0.000 18.084 0.338) 18.087 6.415 ( -0.000 5.076 -4.023) 6.477 6.916 ( 0.000 -1.153 10.897) 10.957 7.151 ( -0.000 10.777 -10.643) 15.146 7.796 ( 0.000 0.900 2.418) 2.580 9.722 ( -0.000 -11.968 -0.609) 11.984 9.922 ( -0.000 -0.970 -1.116) 1.479 10.056 ( -0.000 -68.014 1.967) 68.043 11.434 ( 0.000 37.277 -0.883) 37.287 14.047 ( -0.000 -126.595 0.029) 126.595 16.680 ( 0.000 124.974 0.023) 124.974 17.258 ( 0.000 -0.968 0.586) 1.131 17.269 ( -0.000 -4.553 0.074) 4.554 17.967 ( -0.000 -54.791 0.046) 54.791 19.387 ( 0.000 74.814 -0.179) 74.814 20.588 ( -0.000 -11.499 3.089) 11.907 21.449 ( 0.000 13.616 -3.294) 14.009 25.974 ( 0.000 4.150 1.022) 4.274 26.035 ( -0.000 -3.315 -0.386) 3.337 26.979 ( -0.000 -36.745 0.746) 36.752 27.827 ( 0.000 29.264 -0.971) 29.280 30.136 ( -0.000 -12.731 -0.446) 12.739 30.258 ( 0.000 5.016 0.372) 5.030 35.661 ( 0.000 2.714 5.271) 5.929 36.360 ( -0.000 -31.924 -5.516) 32.397 37.298 ( -0.000 -31.295 -1.800) 31.347 37.741 ( 0.000 31.044 0.477) 31.048 ======================= Grid point 242 (93/120) ======================= q-point: ( 0.35 -0.21 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.075 ( -2.740 11.288 -3.215) 12.052 5.165 ( 3.427 17.284 3.696) 18.004 5.776 ( -5.587 -7.752 -6.327) 11.460 6.184 ( -8.953 10.861 -0.692) 14.092 6.580 ( 3.323 4.229 -9.318) 10.759 7.005 ( 3.345 6.005 11.742) 13.605 7.320 ( 0.780 3.979 -17.293) 17.762 7.879 ( -1.136 6.154 8.253) 10.357 8.281 ( -18.270 -73.792 4.737) 76.168 9.064 ( -27.211 -13.482 3.190) 30.535 10.003 ( 5.719 -2.270 -1.839) 6.422 11.780 ( 58.326 -71.832 0.034) 92.530 12.465 ( 34.485 -43.125 0.080) 55.218 16.439 ( -66.372 10.501 -0.101) 67.198 17.242 ( 7.354 -7.351 0.141) 10.399 17.376 ( 10.595 -0.421 1.588) 10.721 19.910 ( 47.963 96.477 0.188) 107.742 20.360 ( 3.286 -12.598 2.542) 13.266 20.766 ( -16.653 69.879 -0.246) 71.836 21.691 ( -1.103 9.996 -3.374) 10.608 25.209 ( -53.238 -29.423 0.215) 60.828 26.148 ( 0.511 15.449 1.182) 15.502 26.453 ( 10.000 -13.952 0.200) 17.167 27.659 ( -48.120 12.067 -0.359) 49.612 30.339 ( 34.646 -12.153 -0.075) 36.716 30.605 ( 30.938 -9.720 -0.087) 32.429 34.971 ( -29.587 -18.922 0.247) 35.121 35.718 ( -15.869 -11.530 -1.033) 19.642 36.956 ( 29.171 -31.660 1.087) 43.064 38.541 ( 14.047 18.398 -0.419) 23.151 ======================= Grid point 243 (94/120) ======================= q-point: (-0.65 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.190 ( -9.006 9.006 -5.614) 13.919 5.379 ( -0.004 0.004 -2.868) 2.868 5.582 ( 2.311 -2.311 -5.336) 6.257 6.194 ( -8.097 8.097 -0.901) 11.486 6.688 ( -4.097 4.097 -12.877) 14.121 7.099 ( 29.383 -29.383 11.294) 43.062 7.157 ( -2.622 2.622 10.748) 11.370 7.379 ( 0.747 -0.747 -19.860) 19.888 7.977 ( -8.006 8.006 9.640) 14.870 8.507 ( -8.539 8.539 7.049) 13.983 10.037 ( 2.737 -2.737 -2.205) 4.455 11.536 ( 93.970 -93.970 0.448) 132.894 12.608 ( 49.972 -49.972 0.106) 70.671 15.766 ( -67.289 67.289 -0.220) 95.161 17.245 ( 9.426 -9.426 0.094) 13.331 17.512 ( 7.071 -7.071 2.053) 10.209 20.251 ( 8.873 -8.873 2.289) 12.756 21.267 ( -45.545 45.545 0.033) 64.411 21.788 ( -5.158 5.158 -3.331) 8.018 22.436 ( -33.332 33.332 0.019) 47.138 23.401 ( -5.781 5.781 0.104) 8.176 26.403 ( 7.090 -7.090 0.486) 10.039 26.666 ( 0.997 -0.997 1.113) 1.796 26.907 ( -38.815 38.815 -0.209) 54.893 30.670 ( 23.766 -23.766 1.853) 33.662 30.828 ( 26.517 -26.517 -1.524) 37.532 34.394 ( -2.351 2.351 -2.389) 4.094 35.365 ( -6.979 6.979 0.331) 9.875 36.959 ( 34.328 -34.328 2.234) 48.598 38.895 ( -1.256 1.256 -0.708) 1.912 ======================= Grid point 250 (95/120) ======================= q-point: (-0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -0.000 0.000 -43.031) 43.031 2.659 ( -0.000 0.000 -43.031) 43.031 4.187 ( -0.000 0.000 -63.865) 63.865 6.335 ( 0.000 -0.000 13.280) 13.280 6.364 ( -0.000 0.000 -4.433) 4.433 6.364 ( -0.000 0.000 -4.433) 4.433 7.532 ( 0.000 -0.000 14.438) 14.438 7.532 ( 0.000 -0.000 14.438) 14.438 7.757 ( -0.000 0.000 -6.002) 6.002 9.377 ( 0.000 -0.000 4.215) 4.215 9.399 ( 0.000 -0.000 9.253) 9.253 9.399 ( 0.000 -0.000 9.253) 9.253 10.054 ( 0.000 -0.000 0.775) 0.775 17.385 ( 0.000 -0.000 4.289) 4.289 17.385 ( 0.000 -0.000 4.289) 4.289 19.038 ( 0.000 -0.000 0.583) 0.583 19.961 ( 0.000 -0.000 4.159) 4.159 21.943 ( -0.000 0.000 -2.563) 2.563 23.600 ( -0.000 0.000 -0.389) 0.389 24.002 ( -0.000 0.000 -0.678) 0.678 24.002 ( -0.000 0.000 -0.678) 0.678 26.196 ( 0.000 -0.000 3.378) 3.378 26.992 ( 0.000 -0.000 3.110) 3.110 28.772 ( -0.000 0.000 -2.524) 2.524 28.772 ( -0.000 0.000 -2.524) 2.524 29.093 ( 0.000 -0.000 0.776) 0.776 34.155 ( -0.000 0.000 -6.875) 6.875 34.155 ( -0.000 0.000 -6.875) 6.875 35.338 ( -0.000 0.000 -0.569) 0.569 39.332 ( -0.000 0.000 -0.564) 0.564 ======================= Grid point 254 (96/120) ======================= q-point: (-0.21 -0.21 0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.101 ( -0.595 -0.595 -20.095) 20.112 5.272 ( 14.508 14.508 3.440) 20.803 5.560 ( 3.973 3.973 -2.420) 6.117 5.649 ( -1.177 -1.177 1.728) 2.400 6.112 ( -15.616 -15.616 -5.618) 22.787 6.271 ( -0.613 -0.613 18.629) 18.649 7.699 ( 5.052 5.052 -9.881) 12.194 7.917 ( 0.731 0.731 7.661) 7.730 8.523 ( -12.884 -12.884 -16.171) 24.362 8.749 ( -2.843 -2.843 16.313) 16.801 10.234 ( 21.775 21.775 -0.205) 30.795 10.797 ( -29.116 -29.116 0.687) 41.182 16.846 ( 43.818 43.818 -0.190) 61.968 17.717 ( -24.419 -24.419 0.532) 34.537 18.079 ( 27.609 27.609 -2.643) 39.135 18.187 ( 25.596 25.596 -3.588) 36.376 18.298 ( 2.817 2.817 6.003) 7.205 19.210 ( -39.213 -39.213 0.243) 55.456 21.049 ( -0.842 -0.842 -6.690) 6.796 21.148 ( 2.160 2.160 6.339) 7.036 23.130 ( -1.123 -1.123 -1.085) 1.923 23.501 ( -31.213 -31.213 1.147) 44.157 26.761 ( 1.286 1.286 -1.928) 2.650 26.814 ( 0.170 0.170 2.088) 2.102 32.043 ( 5.768 5.768 -3.188) 8.759 32.136 ( 2.807 2.807 3.369) 5.206 34.015 ( -0.775 -0.775 -3.948) 4.098 34.183 ( -8.646 -8.646 4.168) 12.918 39.014 ( 3.116 3.116 -5.381) 6.955 39.101 ( 6.053 6.053 6.166) 10.549 ======================= Grid point 259 (97/120) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 0.000 38.396 -0.000) 38.396 5.053 ( -0.000 -6.268 0.000) 6.268 5.511 ( 0.000 31.133 -0.000) 31.133 6.080 ( -0.000 -2.972 0.000) 2.972 6.215 ( 0.000 17.155 -0.000) 17.155 6.917 ( -0.000 -8.106 0.000) 8.106 7.001 ( 0.000 10.116 -0.000) 10.116 7.801 ( -0.000 -0.414 0.000) 0.414 9.903 ( 0.000 2.958 -0.000) 2.958 9.937 ( -0.000 -7.164 0.000) 7.164 10.396 ( 0.000 56.578 -0.000) 56.578 11.270 ( -0.000 -42.955 0.000) 42.955 14.091 ( 0.000 120.960 -0.000) 120.960 16.703 ( -0.000 -126.321 0.000) 126.321 17.282 ( -0.000 -1.776 0.000) 1.776 17.371 ( -0.000 -4.693 0.000) 4.693 17.976 ( 0.000 56.195 -0.000) 56.195 19.353 ( -0.000 -73.780 0.000) 73.780 20.754 ( -0.000 -7.679 0.000) 7.679 21.168 ( 0.000 16.351 -0.000) 16.351 25.953 ( -0.000 -2.618 0.000) 2.618 26.160 ( -0.000 -8.088 0.000) 8.088 27.133 ( 0.000 38.183 -0.000) 38.183 27.648 ( -0.000 -28.162 0.000) 28.162 30.058 ( 0.000 13.248 -0.000) 13.248 30.329 ( -0.000 -4.834 0.000) 4.834 35.374 ( 0.000 19.223 -0.000) 19.223 37.045 ( -0.000 -26.910 0.000) 26.910 37.097 ( 0.000 30.079 -0.000) 30.079 37.946 ( -0.000 -28.692 0.000) 28.692 ======================= Grid point 260 (98/120) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( 5.645 31.231 -0.000) 31.737 4.983 ( -4.378 4.214 -0.000) 6.076 5.887 ( -8.930 18.482 -0.000) 20.526 5.931 ( -6.506 -3.623 -0.000) 7.447 6.646 ( 12.742 7.615 0.000) 14.844 6.754 ( -3.259 -2.778 -0.000) 4.282 7.244 ( -2.218 14.513 -0.000) 14.681 7.809 ( 4.246 -3.730 0.000) 5.652 9.341 ( -28.062 -15.004 -0.000) 31.821 9.903 ( -9.979 -79.777 0.000) 80.399 10.008 ( -0.814 3.224 -0.000) 3.325 11.547 ( 7.863 52.628 -0.000) 53.212 14.446 ( 36.259 -109.006 0.000) 114.878 16.239 ( -29.188 44.385 -0.000) 53.122 17.350 ( 9.220 1.519 0.000) 9.345 17.417 ( 13.253 -8.753 0.000) 15.882 18.462 ( 35.367 12.608 0.000) 37.547 19.310 ( -7.635 66.500 -0.000) 66.937 20.579 ( 2.033 -10.640 0.000) 10.833 21.485 ( 0.244 13.037 -0.000) 13.040 25.678 ( -35.218 -17.291 -0.000) 39.234 25.853 ( -13.196 11.428 -0.000) 17.456 26.851 ( -6.695 -22.340 0.000) 23.322 27.337 ( -35.522 19.489 -0.000) 40.517 30.523 ( 28.653 -4.283 0.000) 28.971 30.707 ( 37.313 -2.093 0.000) 37.372 35.223 ( -29.181 -3.972 -0.000) 29.450 35.966 ( -36.924 -9.981 -0.000) 38.249 37.554 ( 23.920 -25.973 0.000) 35.310 38.204 ( 30.416 12.612 0.000) 32.927 ======================= Grid point 261 (99/120) ======================= q-point: ( 0.22 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.990 ( -8.959 12.317 -0.000) 15.231 5.193 ( 3.483 14.244 -0.000) 14.663 5.731 ( -3.893 -2.821 -0.000) 4.808 6.004 ( -8.510 10.985 -0.000) 13.896 6.725 ( -5.334 8.435 -0.000) 9.980 6.957 ( 8.477 0.003 0.000) 8.477 7.453 ( -7.340 13.647 -0.000) 15.496 7.819 ( 5.593 -4.853 0.000) 7.405 8.106 ( 9.811 -69.972 0.000) 70.657 8.429 ( -26.386 -7.370 -0.000) 27.396 10.025 ( -5.746 5.640 -0.000) 8.051 12.987 ( 48.926 24.896 0.000) 54.896 13.622 ( 75.082 -88.529 0.000) 116.080 14.983 ( -66.132 -17.086 -0.000) 68.304 17.497 ( 16.081 -13.670 0.000) 21.106 17.594 ( 11.076 -2.565 0.000) 11.369 20.156 ( -32.983 59.009 -0.000) 67.601 20.431 ( 5.869 -10.285 0.000) 11.842 20.888 ( 31.179 87.964 -0.000) 93.326 21.686 ( -2.757 8.037 -0.000) 8.496 23.987 ( -58.427 -36.371 -0.000) 68.823 25.972 ( -25.395 37.302 -0.000) 45.126 26.584 ( 3.201 -8.687 0.000) 9.258 26.816 ( -20.957 -2.584 -0.000) 21.116 31.008 ( 29.416 -11.536 0.000) 31.597 31.284 ( 28.961 -15.135 0.000) 32.678 34.490 ( -15.776 -7.604 -0.000) 17.513 35.222 ( -27.752 5.638 -0.000) 28.319 37.597 ( 30.968 -28.318 0.000) 41.963 38.855 ( 13.607 3.355 0.000) 14.015 ======================= Grid point 268 (100/120) ======================= q-point: (-0.34 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( -0.000 -33.879 -35.733) 49.241 4.029 ( -0.000 -36.808 -34.131) 50.198 5.520 ( -0.000 -16.931 -51.954) 54.643 6.033 ( 0.000 3.603 13.107) 13.594 6.396 ( -0.000 4.549 -5.186) 6.899 6.451 ( -0.000 0.387 -4.523) 4.540 7.349 ( 0.000 -14.241 17.869) 22.849 7.547 ( 0.000 -35.714 18.407) 40.178 7.731 ( 0.000 10.687 -0.791) 10.716 9.026 ( 0.000 19.639 3.972) 20.037 9.254 ( 0.000 -3.931 8.123) 9.025 9.388 ( 0.000 -14.227 6.670) 15.712 10.430 ( -0.000 -35.438 0.591) 35.443 17.278 ( 0.000 1.709 3.955) 4.308 17.304 ( 0.000 -0.415 4.077) 4.098 18.610 ( 0.000 35.976 0.266) 35.977 19.967 ( 0.000 -8.282 4.333) 9.347 21.886 ( -0.000 9.106 -5.384) 10.578 23.128 ( 0.000 53.120 0.237) 53.121 23.390 ( 0.000 46.481 -1.069) 46.493 24.398 ( -0.000 -33.480 -0.204) 33.481 26.134 ( 0.000 0.684 2.985) 3.062 26.791 ( 0.000 11.972 3.110) 12.369 28.709 ( -0.000 5.600 -2.251) 6.035 29.001 ( -0.000 -15.389 -1.926) 15.509 29.458 ( -0.000 -26.560 0.504) 26.565 34.423 ( -0.000 -12.536 -7.223) 14.468 34.689 ( -0.000 -33.520 2.812) 33.638 35.520 ( -0.000 -15.863 -0.705) 15.879 39.227 ( 0.000 11.061 -0.407) 11.069 ======================= Grid point 287 (101/120) ======================= q-point: (-0.47 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.975 ( -0.000 -2.296 -19.924) 20.056 5.153 ( -0.000 -24.375 -22.171) 32.950 5.675 ( 0.000 8.090 9.014) 12.112 6.427 ( -0.000 4.404 -7.597) 8.781 6.450 ( -0.000 5.367 -5.388) 7.605 6.743 ( -0.000 -10.956 -29.631) 31.591 7.365 ( 0.000 7.725 9.082) 11.923 7.579 ( 0.000 -37.923 15.043) 40.798 8.274 ( 0.000 -13.757 10.825) 17.505 8.863 ( -0.000 -59.664 3.754) 59.782 9.299 ( -0.000 -17.137 4.685) 17.766 9.632 ( -0.000 -14.629 1.882) 14.749 11.332 ( -0.000 -46.327 0.187) 46.327 17.189 ( 0.000 0.219 2.419) 2.429 17.249 ( 0.000 -0.947 2.770) 2.927 17.772 ( 0.000 38.124 -0.114) 38.124 20.112 ( 0.000 -12.843 3.883) 13.417 21.457 ( 0.000 98.086 0.276) 98.086 21.812 ( -0.000 9.027 -5.618) 10.632 22.336 ( 0.000 60.007 -0.715) 60.011 25.236 ( -0.000 -44.363 0.423) 44.365 26.051 ( 0.000 2.187 1.653) 2.741 26.443 ( 0.000 14.646 2.537) 14.864 28.606 ( 0.000 9.898 -1.935) 10.085 29.408 ( -0.000 -19.369 -1.295) 19.412 29.965 ( -0.000 -20.636 0.600) 20.645 34.956 ( -0.000 -25.090 -6.495) 25.917 35.228 ( -0.000 -27.121 7.214) 28.064 35.992 ( -0.000 -26.971 -1.002) 26.990 38.893 ( 0.000 21.180 -0.013) 21.180 ======================= Grid point 288 (102/120) ======================= q-point: (-0.47 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.508 ( 11.634 -11.634 -34.225) 37.974 5.009 ( 11.012 -11.012 -24.190) 28.770 5.768 ( -1.749 1.749 11.528) 11.790 6.401 ( -3.408 3.408 -0.426) 4.838 6.532 ( 2.323 -2.323 -22.703) 22.939 6.634 ( 7.095 -7.095 -24.403) 26.385 6.886 ( 3.322 -3.322 19.543) 20.100 7.588 ( -8.013 8.013 3.586) 11.886 7.927 ( 55.549 -55.549 14.923) 79.963 8.776 ( -6.745 6.745 7.157) 11.925 8.943 ( -4.117 4.117 9.218) 10.903 9.570 ( 16.812 -16.812 1.731) 23.839 10.797 ( 34.436 -34.436 0.351) 48.701 17.145 ( -1.959 1.959 2.538) 3.757 17.318 ( 4.491 -4.491 3.481) 7.243 18.120 ( -41.999 41.999 0.015) 59.395 19.964 ( 7.048 -7.048 3.575) 10.589 21.917 ( -5.036 5.036 -4.477) 8.412 22.896 ( -30.680 30.680 -0.037) 43.388 23.609 ( -21.238 21.238 -0.426) 30.038 23.745 ( -10.029 10.029 0.022) 14.183 26.158 ( 4.729 -4.729 2.031) 6.990 26.727 ( -2.896 2.896 2.451) 4.773 28.244 ( -24.688 24.688 -1.232) 34.936 29.605 ( 28.018 -28.018 -2.288) 39.689 29.688 ( 22.787 -22.787 1.160) 32.247 34.394 ( -1.086 1.086 -5.093) 5.319 35.077 ( 21.750 -21.750 0.579) 30.764 35.729 ( 19.786 -19.786 0.392) 27.985 39.145 ( -8.441 8.441 -0.353) 11.942 ======================= Grid point 305 (103/120) ======================= q-point: ( 0.40 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.113 ( 0.000 21.689 5.499) 22.375 5.116 ( -0.000 7.906 -5.657) 9.721 5.844 ( -0.000 -8.020 -6.135) 10.098 6.322 ( 0.000 11.371 -0.924) 11.409 6.495 ( -0.000 3.979 -7.571) 8.553 6.974 ( 0.000 6.774 10.976) 12.899 7.307 ( -0.000 2.739 -18.983) 19.180 7.896 ( 0.000 9.684 9.829) 13.798 8.581 ( -0.000 -70.184 4.833) 70.350 9.449 ( -0.000 -13.820 0.280) 13.823 9.851 ( -0.000 -7.338 -0.131) 7.339 11.051 ( -0.000 -102.710 0.456) 102.711 12.114 ( -0.000 -32.983 0.041) 32.983 17.187 ( -0.000 -2.969 0.730) 3.057 17.235 ( 0.000 -1.342 1.071) 1.717 17.329 ( -0.000 -2.354 -0.032) 2.355 19.203 ( 0.000 116.356 0.150) 116.356 20.326 ( -0.000 -13.374 2.534) 13.612 20.947 ( 0.000 73.050 -0.289) 73.051 21.702 ( -0.000 10.707 -3.350) 11.219 26.005 ( 0.000 0.115 0.289) 0.311 26.131 ( 0.000 8.941 1.379) 9.047 26.146 ( -0.000 -41.143 0.477) 41.145 28.335 ( 0.000 19.451 -1.059) 19.480 29.817 ( -0.000 -17.548 -0.599) 17.558 30.243 ( -0.000 -6.991 0.382) 7.001 35.534 ( 0.000 -14.097 5.026) 14.966 35.676 ( -0.000 -32.652 -4.201) 32.921 36.636 ( -0.000 -31.855 -1.121) 31.875 38.368 ( 0.000 28.477 0.215) 28.478 ======================= Grid point 306 (104/120) ======================= q-point: (-0.60 -0.26 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.275 ( -0.655 6.755 -11.101) 13.011 5.397 ( -2.139 1.703 -3.932) 4.789 5.596 ( -3.133 -6.779 -6.540) 9.927 6.358 ( -8.368 4.950 -1.591) 9.852 6.677 ( 3.880 2.702 -7.817) 9.135 6.935 ( -10.274 -43.691 14.349) 47.120 7.209 ( -2.172 13.329 7.449) 15.423 7.332 ( 2.724 -2.657 -22.417) 22.737 8.119 ( -3.127 10.538 12.379) 16.555 8.836 ( -20.721 -7.793 4.523) 22.596 9.710 ( 68.352 -88.600 0.083) 111.902 9.884 ( 20.018 -20.016 0.968) 28.325 11.688 ( 33.359 -45.836 0.092) 56.690 17.109 ( -38.295 32.247 -0.354) 50.065 17.134 ( -15.735 12.468 1.037) 20.102 17.342 ( 8.587 -2.828 1.865) 9.231 20.104 ( 5.002 -11.420 2.176) 12.656 21.830 ( 13.795 75.857 0.134) 77.101 21.869 ( -2.284 8.704 -2.841) 9.437 22.171 ( -2.197 69.639 -0.404) 69.675 24.470 ( -58.717 -39.598 0.184) 70.821 26.231 ( 10.208 -5.597 0.762) 11.667 26.506 ( 8.617 14.006 1.244) 16.492 27.887 ( -48.788 12.190 -0.527) 50.290 30.038 ( 35.772 -16.862 -0.274) 39.547 30.255 ( 25.373 -23.862 -0.041) 34.831 34.609 ( -18.119 -13.533 -1.962) 22.700 35.439 ( 3.474 -15.133 0.180) 15.528 36.278 ( 27.088 -32.009 0.928) 41.943 38.900 ( 0.398 15.318 -0.250) 15.325 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.479 ( 0.000 32.365 -0.000) 32.365 5.026 ( 0.000 3.378 -0.000) 3.378 6.006 ( -0.000 -4.150 0.000) 4.150 6.019 ( 0.000 18.841 -0.000) 18.841 6.473 ( 0.000 8.735 -0.000) 8.735 6.789 ( -0.000 -3.209 0.000) 3.209 7.267 ( 0.000 15.231 -0.000) 15.231 7.761 ( -0.000 -3.192 0.000) 3.192 9.729 ( -0.000 -12.352 0.000) 12.352 9.933 ( -0.000 -0.607 0.000) 0.607 10.036 ( -0.000 -69.615 0.000) 69.615 11.443 ( 0.000 36.991 -0.000) 36.991 14.047 ( -0.000 -126.788 0.000) 126.788 16.680 ( 0.000 124.895 -0.000) 124.895 17.252 ( -0.000 -1.270 0.000) 1.270 17.268 ( -0.000 -4.910 0.000) 4.910 17.967 ( -0.000 -54.715 0.000) 54.715 19.389 ( 0.000 74.871 -0.000) 74.871 20.557 ( -0.000 -11.172 0.000) 11.172 21.482 ( 0.000 13.729 -0.000) 13.729 25.964 ( 0.000 3.936 -0.000) 3.936 26.039 ( -0.000 -3.617 0.000) 3.617 26.972 ( -0.000 -36.655 0.000) 36.655 27.837 ( 0.000 29.316 -0.000) 29.316 30.141 ( -0.000 -12.664 0.000) 12.664 30.254 ( 0.000 5.005 -0.000) 5.005 35.609 ( 0.000 2.556 -0.000) 2.556 36.415 ( -0.000 -32.923 0.000) 32.923 37.317 ( -0.000 -31.639 0.000) 31.639 37.736 ( 0.000 31.153 -0.000) 31.153 ======================= Grid point 324 (106/120) ======================= q-point: ( 0.28 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.075 ( 0.847 19.282 -0.000) 19.300 5.156 ( -0.981 11.914 -0.000) 11.954 5.842 ( -5.491 -4.814 -0.000) 7.302 6.191 ( -9.328 11.550 -0.000) 14.847 6.756 ( 10.238 3.165 0.000) 10.716 6.805 ( -2.489 8.699 -0.000) 9.048 7.568 ( -3.946 14.961 -0.000) 15.473 7.720 ( 3.609 -4.362 0.000) 5.661 8.233 ( -18.057 -77.054 0.000) 79.142 9.033 ( -29.012 -13.961 -0.000) 32.196 10.021 ( 6.492 -2.671 0.000) 7.020 11.779 ( 58.596 -72.692 0.000) 93.368 12.465 ( 34.476 -42.915 0.000) 55.048 16.440 ( -66.390 10.605 -0.000) 67.232 17.240 ( 7.747 -7.709 0.000) 10.929 17.360 ( 10.351 -0.599 0.000) 10.368 19.908 ( 47.920 96.469 -0.000) 107.715 20.335 ( 3.266 -12.434 0.000) 12.855 20.769 ( -16.669 69.951 -0.000) 71.910 21.725 ( -1.083 9.933 -0.000) 9.992 25.207 ( -53.108 -29.510 -0.000) 60.756 26.136 ( 0.699 15.328 -0.000) 15.344 26.451 ( 10.148 -14.096 0.000) 17.369 27.663 ( -48.568 12.130 -0.000) 50.059 30.339 ( 33.752 -11.966 0.000) 35.810 30.606 ( 31.631 -9.877 0.000) 33.138 34.968 ( -28.661 -17.471 -0.000) 33.567 35.729 ( -16.197 -12.670 -0.000) 20.564 36.946 ( 28.146 -31.816 0.000) 42.479 38.545 ( 14.507 18.204 -0.000) 23.277 ======================= Grid point 325 (107/120) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.244 ( -10.500 10.500 -0.000) 14.849 5.363 ( -3.443 3.443 -0.000) 4.870 5.691 ( 0.199 -0.199 0.000) 0.281 6.204 ( -8.484 8.484 -0.000) 11.998 6.912 ( 4.314 -4.314 0.000) 6.101 6.952 ( -10.870 10.870 -0.000) 15.373 6.974 ( 34.482 -34.482 0.000) 48.764 7.725 ( 4.271 -4.271 0.000) 6.040 7.734 ( -11.932 11.932 -0.000) 16.874 8.436 ( -9.096 9.096 -0.000) 12.864 10.059 ( 3.202 -3.202 0.000) 4.528 11.532 ( 94.497 -94.497 0.000) 133.639 12.607 ( 49.975 -49.975 0.000) 70.675 15.768 ( -67.288 67.288 -0.000) 95.160 17.244 ( 9.823 -9.823 0.000) 13.892 17.492 ( 7.026 -7.026 0.000) 9.936 20.228 ( 8.787 -8.787 0.000) 12.427 21.266 ( -45.567 45.567 -0.000) 64.441 21.821 ( -5.036 5.036 -0.000) 7.122 22.436 ( -33.356 33.356 -0.000) 47.172 23.400 ( -5.752 5.752 -0.000) 8.134 26.398 ( 7.207 -7.207 0.000) 10.192 26.655 ( 1.115 -1.115 0.000) 1.577 26.909 ( -38.950 38.950 -0.000) 55.084 30.652 ( 23.497 -23.497 0.000) 33.230 30.843 ( 26.552 -26.552 0.000) 37.550 34.418 ( -2.450 2.450 -0.000) 3.464 35.362 ( -7.099 7.099 -0.000) 10.039 36.938 ( 34.064 -34.064 0.000) 48.173 38.902 ( -1.015 1.015 -0.000) 1.436 ======================= Grid point 335 (108/120) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -0.000 0.000 -40.811) 40.811 3.487 ( -0.000 0.000 -40.811) 40.811 5.375 ( -0.000 0.000 -56.292) 56.292 6.063 ( 0.000 -0.000 13.886) 13.886 6.447 ( -0.000 0.000 -3.603) 3.603 6.447 ( -0.000 0.000 -3.603) 3.603 7.209 ( 0.000 -0.000 18.008) 18.008 7.209 ( 0.000 -0.000 18.008) 18.008 7.876 ( -0.000 0.000 -5.853) 5.853 9.209 ( 0.000 -0.000 9.697) 9.697 9.209 ( 0.000 -0.000 9.697) 9.697 9.258 ( 0.000 -0.000 8.099) 8.099 10.038 ( 0.000 -0.000 0.779) 0.779 17.299 ( 0.000 -0.000 4.277) 4.277 17.299 ( 0.000 -0.000 4.277) 4.277 19.026 ( 0.000 -0.000 0.572) 0.572 19.878 ( 0.000 -0.000 4.148) 4.148 21.994 ( -0.000 0.000 -2.557) 2.557 23.607 ( -0.000 0.000 -0.323) 0.323 24.015 ( -0.000 0.000 -0.675) 0.675 24.015 ( -0.000 0.000 -0.675) 0.675 26.129 ( 0.000 -0.000 3.313) 3.313 26.929 ( 0.000 -0.000 3.116) 3.116 28.822 ( -0.000 0.000 -2.527) 2.527 28.822 ( -0.000 0.000 -2.527) 2.527 29.077 ( 0.000 -0.000 0.776) 0.776 34.293 ( -0.000 0.000 -6.851) 6.851 34.293 ( -0.000 0.000 -6.851) 6.851 35.350 ( -0.000 0.000 -0.606) 0.606 39.343 ( -0.000 0.000 -0.566) 0.566 ======================= Grid point 353 (109/120) ======================= q-point: (-0.41 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( -0.000 -26.256 -34.295) 43.192 4.685 ( -0.000 -26.949 -32.011) 41.845 5.783 ( 0.000 2.566 11.506) 11.788 6.467 ( -0.000 -7.967 -42.368) 43.110 6.484 ( -0.000 0.082 -2.425) 2.426 6.531 ( -0.000 -3.098 -4.299) 5.299 6.975 ( 0.000 -13.979 19.093) 23.663 7.161 ( 0.000 -37.370 20.205) 42.483 7.730 ( 0.000 18.217 0.821) 18.236 8.874 ( 0.000 13.380 10.571) 17.051 9.110 ( 0.000 -5.519 6.801) 8.759 9.274 ( -0.000 -18.153 4.710) 18.754 10.419 ( -0.000 -35.711 0.460) 35.714 17.207 ( 0.000 1.152 3.161) 3.365 17.230 ( 0.000 -0.765 3.261) 3.349 18.605 ( 0.000 35.558 0.209) 35.559 19.889 ( 0.000 -7.966 3.464) 8.687 21.973 ( -0.000 6.061 -3.492) 6.995 23.123 ( 0.000 53.696 0.219) 53.696 23.410 ( 0.000 46.102 -0.856) 46.110 24.402 ( -0.000 -32.829 -0.204) 32.830 26.081 ( 0.000 0.166 2.370) 2.376 26.734 ( 0.000 11.999 2.510) 12.259 28.749 ( -0.000 5.394 -1.773) 5.678 29.037 ( -0.000 -14.785 -1.704) 14.883 29.450 ( -0.000 -26.323 0.363) 26.325 34.553 ( -0.000 -13.141 -5.774) 14.353 34.675 ( -0.000 -22.738 -0.647) 22.747 35.533 ( -0.000 -16.076 -0.609) 16.087 39.234 ( 0.000 11.322 -0.345) 11.327 ======================= Grid point 371 (110/120) ======================= q-point: (-0.54 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.285 ( -0.000 6.621 -11.142) 12.961 5.416 ( 0.000 6.060 0.098) 6.061 5.647 ( -0.000 -9.921 -10.346) 14.334 6.511 ( 0.000 7.014 -1.800) 7.241 6.577 ( -0.000 2.111 -6.850) 7.168 7.190 ( 0.000 -8.372 7.737) 11.400 7.287 ( -0.000 -3.182 -23.893) 24.104 7.301 ( 0.000 -25.732 12.196) 28.476 8.036 ( 0.000 -17.755 12.975) 21.991 8.806 ( -0.000 -71.113 1.659) 71.133 9.209 ( -0.000 -15.861 4.121) 16.388 9.607 ( -0.000 -16.101 0.749) 16.118 11.330 ( -0.000 -46.534 0.085) 46.534 17.151 ( 0.000 -0.494 1.337) 1.425 17.206 ( 0.000 -1.451 1.532) 2.111 17.774 ( 0.000 37.991 -0.062) 37.991 20.051 ( -0.000 -12.436 2.148) 12.620 21.452 ( 0.000 98.103 0.158) 98.103 21.895 ( -0.000 7.854 -2.818) 8.345 22.347 ( 0.000 60.158 -0.401) 60.160 25.229 ( -0.000 -43.899 0.215) 43.900 26.025 ( 0.000 1.460 0.920) 1.726 26.403 ( 0.000 14.631 1.421) 14.700 28.636 ( 0.000 9.851 -1.077) 9.909 29.429 ( -0.000 -19.125 -0.768) 19.140 29.955 ( -0.000 -20.504 0.331) 20.507 35.057 ( -0.000 -25.737 -3.596) 25.987 35.133 ( -0.000 -22.539 2.802) 22.713 36.009 ( -0.000 -27.449 -0.603) 27.456 38.894 ( 0.000 21.489 -0.035) 21.489 ======================= Grid point 372 (111/120) ======================= q-point: (-0.54 -0.32 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.154 ( 7.707 -7.707 -30.819) 32.690 5.407 ( 1.144 -1.144 -15.234) 15.320 5.586 ( -1.431 1.431 6.206) 6.528 6.265 ( 5.014 -5.014 17.696) 19.064 6.602 ( -3.634 3.634 5.571) 7.579 6.707 ( 2.134 -2.134 -5.061) 5.893 7.254 ( 2.869 -2.869 -25.884) 26.200 7.534 ( -4.482 4.482 0.409) 6.351 7.662 ( 55.017 -55.017 11.330) 78.626 8.588 ( 0.250 -0.250 10.974) 10.980 8.796 ( -4.909 4.909 5.347) 8.763 9.543 ( 19.107 -19.107 0.986) 27.040 10.791 ( 34.561 -34.561 0.193) 48.877 17.106 ( -1.299 1.299 1.403) 2.312 17.264 ( 4.444 -4.444 1.927) 6.573 18.119 ( -41.781 41.781 0.008) 59.087 19.909 ( 6.877 -6.877 1.980) 9.925 21.983 ( -3.888 3.888 -2.219) 5.930 22.896 ( -30.691 30.691 -0.001) 43.403 23.616 ( -21.460 21.460 -0.247) 30.350 23.745 ( -10.250 10.250 0.011) 14.495 26.126 ( 5.143 -5.143 1.123) 7.359 26.688 ( -2.827 2.827 1.367) 4.226 28.265 ( -25.024 25.024 -0.748) 35.397 29.641 ( 28.203 -28.203 -1.279) 39.905 29.671 ( 22.095 -22.095 0.606) 31.253 34.474 ( -1.348 1.348 -2.828) 3.410 35.078 ( 19.989 -19.989 -0.360) 28.270 35.726 ( 18.421 -18.421 -0.028) 26.051 39.151 ( -8.419 8.419 -0.213) 11.908 ======================= Grid point 389 (112/120) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.055 ( 0.000 22.201 -0.000) 22.201 5.172 ( 0.000 9.902 -0.000) 9.902 5.907 ( -0.000 -5.324 0.000) 5.324 6.331 ( 0.000 11.843 -0.000) 11.843 6.604 ( 0.000 4.292 -0.000) 4.292 6.831 ( 0.000 8.366 -0.000) 8.366 7.612 ( 0.000 16.989 -0.000) 16.989 7.681 ( -0.000 -4.092 0.000) 4.092 8.531 ( -0.000 -72.775 0.000) 72.775 9.447 ( -0.000 -14.177 0.000) 14.177 9.852 ( -0.000 -7.717 0.000) 7.717 11.046 ( -0.000 -103.940 0.000) 103.940 12.113 ( -0.000 -32.767 0.000) 32.767 17.180 ( -0.000 -3.290 0.000) 3.290 17.224 ( -0.000 -1.503 0.000) 1.503 17.329 ( -0.000 -2.379 0.000) 2.379 19.202 ( 0.000 116.347 -0.000) 116.347 20.300 ( -0.000 -13.159 0.000) 13.159 20.950 ( 0.000 73.106 -0.000) 73.106 21.735 ( 0.000 10.604 -0.000) 10.604 26.002 ( -0.000 -0.218 0.000) 0.218 26.117 ( 0.000 8.507 -0.000) 8.507 26.141 ( -0.000 -40.669 0.000) 40.669 28.345 ( 0.000 19.481 -0.000) 19.481 29.823 ( -0.000 -17.468 0.000) 17.468 30.240 ( -0.000 -6.986 0.000) 6.986 35.485 ( -0.000 -13.535 0.000) 13.535 35.718 ( -0.000 -33.042 0.000) 33.042 36.647 ( -0.000 -32.179 0.000) 32.179 38.366 ( 0.000 28.606 -0.000) 28.606 ======================= Grid point 390 (113/120) ======================= q-point: ( 0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.376 ( -2.385 11.953 -0.000) 12.189 5.390 ( -0.234 8.061 -0.000) 8.064 5.741 ( -4.071 -4.535 0.000) 6.094 6.373 ( -9.024 3.208 -0.000) 9.577 6.727 ( -5.395 -39.318 0.000) 39.686 6.811 ( 1.495 -14.983 0.000) 15.058 7.113 ( -4.525 19.377 -0.000) 19.898 7.645 ( 3.149 -2.540 0.000) 4.045 7.910 ( -3.225 11.123 -0.000) 11.582 8.791 ( -22.742 -8.382 -0.000) 24.238 9.711 ( 76.020 -98.765 0.000) 124.634 9.873 ( 14.425 -11.930 0.000) 18.720 11.687 ( 33.351 -45.892 0.000) 56.731 17.118 ( 1.989 -3.711 0.000) 4.211 17.118 ( -55.691 48.087 -0.000) 73.579 17.323 ( 8.490 -2.930 0.000) 8.981 20.082 ( 4.972 -11.292 0.000) 12.338 21.828 ( 14.149 77.537 -0.000) 78.817 21.898 ( -2.402 6.765 -0.000) 7.179 22.175 ( -2.375 69.627 -0.000) 69.667 24.468 ( -58.657 -39.511 -0.000) 70.723 26.223 ( 10.300 -5.749 0.000) 11.795 26.494 ( 8.747 13.863 -0.000) 16.392 27.893 ( -49.041 12.292 -0.000) 50.557 30.040 ( 34.718 -16.853 0.000) 38.592 30.256 ( 26.150 -23.736 0.000) 35.316 34.628 ( -17.658 -12.768 -0.000) 21.790 35.438 ( 3.531 -15.274 0.000) 15.677 36.270 ( 26.100 -31.668 0.000) 41.037 38.903 ( 0.587 15.286 -0.000) 15.297 ======================= Grid point 420 (114/120) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( -0.000 0.000 -37.976) 37.976 4.265 ( -0.000 0.000 -37.976) 37.976 5.806 ( 0.000 -0.000 11.635) 11.635 6.396 ( -0.000 0.000 -46.825) 46.825 6.468 ( 0.000 -0.000 3.998) 3.998 6.468 ( 0.000 -0.000 3.998) 3.998 6.855 ( 0.000 -0.000 15.409) 15.409 6.855 ( 0.000 -0.000 15.409) 15.409 7.980 ( -0.000 0.000 -4.589) 4.589 9.029 ( 0.000 -0.000 8.174) 8.174 9.029 ( 0.000 -0.000 8.174) 8.174 9.051 ( 0.000 -0.000 12.947) 12.947 10.024 ( 0.000 -0.000 0.628) 0.628 17.222 ( 0.000 -0.000 3.423) 3.423 17.222 ( 0.000 -0.000 3.423) 3.423 19.016 ( 0.000 -0.000 0.450) 0.450 19.803 ( 0.000 -0.000 3.318) 3.318 22.040 ( -0.000 0.000 -2.046) 2.046 23.612 ( -0.000 0.000 -0.206) 0.206 24.028 ( -0.000 0.000 -0.539) 0.539 24.028 ( -0.000 0.000 -0.539) 0.539 26.070 ( 0.000 -0.000 2.605) 2.605 26.873 ( 0.000 -0.000 2.503) 2.503 28.868 ( -0.000 0.000 -2.030) 2.030 28.868 ( -0.000 0.000 -2.030) 2.030 29.063 ( 0.000 -0.000 0.621) 0.621 34.417 ( -0.000 0.000 -5.477) 5.477 34.417 ( -0.000 0.000 -5.477) 5.477 35.361 ( -0.000 0.000 -0.513) 0.513 39.353 ( -0.000 0.000 -0.455) 0.455 ======================= Grid point 440 (115/120) ======================= q-point: (-0.48 -0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.218 ( -0.000 -18.376 -30.628) 35.718 5.270 ( -0.000 -12.328 -26.117) 28.880 5.602 ( 0.000 1.843 6.244) 6.510 6.360 ( 0.000 -18.704 17.997) 25.956 6.538 ( -0.000 -20.754 4.588) 21.255 6.722 ( 0.000 -2.139 3.457) 4.065 6.782 ( 0.000 -30.205 13.329) 33.015 7.228 ( -0.000 -2.814 -30.680) 30.809 7.707 ( 0.000 24.471 1.221) 24.501 8.633 ( 0.000 9.786 13.206) 16.437 8.989 ( 0.000 -7.609 4.834) 9.015 9.205 ( -0.000 -21.149 2.276) 21.271 10.412 ( -0.000 -35.922 0.251) 35.922 17.158 ( 0.000 0.764 1.751) 1.910 17.179 ( 0.000 -1.009 1.806) 2.069 18.602 ( 0.000 35.273 0.114) 35.273 19.835 ( -0.000 -7.751 1.918) 7.985 22.025 ( -0.000 4.459 -1.756) 4.793 23.120 ( 0.000 54.049 0.133) 54.049 23.423 ( 0.000 45.860 -0.474) 45.863 24.405 ( -0.000 -32.408 -0.122) 32.409 26.044 ( 0.000 -0.165 1.305) 1.316 26.695 ( 0.000 12.029 1.399) 12.110 28.777 ( 0.000 5.205 -0.969) 5.295 29.065 ( -0.000 -14.449 -0.982) 14.482 29.444 ( -0.000 -26.117 0.183) 26.118 34.643 ( -0.000 -13.557 -3.196) 13.929 34.694 ( -0.000 -17.263 -0.973) 17.291 35.543 ( -0.000 -16.247 -0.356) 16.250 39.240 ( 0.000 11.479 -0.199) 11.480 ======================= Grid point 458 (116/120) ======================= q-point: ( 0.39 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.386 ( 0.000 10.101 -0.000) 10.101 5.398 ( 0.000 10.874 -0.000) 10.874 5.794 ( -0.000 -5.258 0.000) 5.258 6.528 ( 0.000 7.388 -0.000) 7.388 6.655 ( -0.000 -0.443 0.000) 0.443 7.110 ( -0.000 -60.428 0.000) 60.428 7.157 ( 0.000 22.344 -0.000) 22.344 7.609 ( -0.000 -2.466 0.000) 2.466 7.822 ( -0.000 -13.546 0.000) 13.546 8.793 ( -0.000 -82.335 0.000) 82.335 9.162 ( -0.000 -12.795 0.000) 12.795 9.600 ( -0.000 -16.603 0.000) 16.603 11.329 ( -0.000 -46.614 0.000) 46.614 17.138 ( -0.000 -0.748 0.000) 0.748 17.191 ( -0.000 -1.631 0.000) 1.631 17.775 ( 0.000 37.944 -0.000) 37.944 20.030 ( -0.000 -12.291 0.000) 12.291 21.451 ( 0.000 98.107 -0.000) 98.107 21.923 ( 0.000 7.432 -0.000) 7.432 22.351 ( 0.000 60.212 -0.000) 60.212 25.227 ( -0.000 -43.735 0.000) 43.735 26.016 ( 0.000 1.203 -0.000) 1.203 26.389 ( 0.000 14.628 -0.000) 14.628 28.647 ( 0.000 9.830 -0.000) 9.830 29.436 ( -0.000 -19.034 0.000) 19.034 29.952 ( -0.000 -20.453 0.000) 20.453 35.093 ( -0.000 -25.968 0.000) 25.968 35.107 ( -0.000 -20.951 0.000) 20.951 36.015 ( -0.000 -27.636 0.000) 27.636 38.894 ( 0.000 21.590 -0.000) 21.590 ======================= Grid point 461 (117/120) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.491 ( -2.573 2.573 -0.000) 3.639 5.567 ( -4.767 4.767 -0.000) 6.741 5.677 ( 0.515 -0.515 0.000) 0.729 5.882 ( 15.011 -15.011 0.000) 21.229 6.570 ( -5.995 5.995 -0.000) 8.479 6.757 ( 3.272 -3.272 0.000) 4.627 7.490 ( -12.907 12.907 -0.000) 18.253 7.501 ( 65.415 -65.415 0.000) 92.511 7.630 ( -1.817 1.817 -0.000) 2.569 8.440 ( 6.264 -6.264 0.000) 8.858 8.741 ( -5.211 5.211 -0.000) 7.370 9.533 ( 19.903 -19.903 0.000) 28.146 10.790 ( 34.606 -34.606 0.000) 48.940 17.092 ( -1.062 1.062 -0.000) 1.502 17.244 ( 4.427 -4.427 0.000) 6.261 18.119 ( -41.704 41.704 -0.000) 58.979 19.889 ( 6.816 -6.816 0.000) 9.639 22.005 ( -3.511 3.511 -0.000) 4.966 22.896 ( -30.693 30.693 -0.000) 43.406 23.618 ( -21.539 21.539 -0.000) 30.460 23.745 ( -10.330 10.330 -0.000) 14.608 26.115 ( 5.287 -5.287 0.000) 7.477 26.675 ( -2.804 2.804 -0.000) 3.965 28.272 ( -25.137 25.137 -0.000) 35.549 29.654 ( 28.270 -28.270 0.000) 39.980 29.665 ( 21.866 -21.866 0.000) 30.923 34.502 ( -1.439 1.439 -0.000) 2.036 35.082 ( 19.342 -19.342 0.000) 27.354 35.727 ( 18.085 -18.085 0.000) 25.576 39.153 ( -8.405 8.405 -0.000) 11.887 ======================= Grid point 508 (118/120) ======================= q-point: (-0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.982 ( -0.000 0.000 -34.531) 34.531 4.982 ( -0.000 0.000 -34.531) 34.531 5.622 ( 0.000 -0.000 6.672) 6.672 6.172 ( 0.000 -0.000 23.877) 23.877 6.172 ( 0.000 -0.000 23.877) 23.877 6.715 ( 0.000 -0.000 1.016) 1.016 6.715 ( 0.000 -0.000 1.016) 1.016 7.199 ( -0.000 0.000 -33.389) 33.389 8.051 ( -0.000 0.000 -2.507) 2.507 8.757 ( 0.000 -0.000 15.904) 15.904 8.899 ( 0.000 -0.000 4.720) 4.720 8.899 ( 0.000 -0.000 4.720) 4.720 10.014 ( 0.000 -0.000 0.350) 0.350 17.168 ( 0.000 -0.000 1.897) 1.897 17.168 ( 0.000 -0.000 1.897) 1.897 19.009 ( 0.000 -0.000 0.246) 0.246 19.751 ( 0.000 -0.000 1.837) 1.837 22.072 ( -0.000 0.000 -1.134) 1.134 23.615 ( -0.000 0.000 -0.092) 0.092 24.036 ( -0.000 0.000 -0.298) 0.298 24.036 ( -0.000 0.000 -0.298) 0.298 26.029 ( 0.000 -0.000 1.424) 1.424 26.834 ( 0.000 -0.000 1.391) 1.391 28.900 ( -0.000 0.000 -1.128) 1.128 28.900 ( -0.000 0.000 -1.128) 1.128 29.054 ( 0.000 -0.000 0.345) 0.345 34.502 ( -0.000 0.000 -3.033) 3.033 34.502 ( -0.000 0.000 -3.033) 3.033 35.369 ( -0.000 0.000 -0.295) 0.295 39.360 ( -0.000 0.000 -0.253) 0.253 ======================= Grid point 530 (119/120) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.517 ( 0.000 3.542 -0.000) 3.542 5.587 ( 0.000 6.671 -0.000) 6.671 5.700 ( -0.000 -3.562 0.000) 3.562 6.004 ( -0.000 -37.731 0.000) 37.731 6.394 ( -0.000 -64.712 0.000) 64.712 6.689 ( -0.000 -3.674 0.000) 3.674 6.710 ( 0.000 0.105 -0.000) 0.105 7.583 ( -0.000 -0.217 0.000) 0.217 7.693 ( 0.000 26.969 -0.000) 26.969 8.454 ( 0.000 7.265 -0.000) 7.265 8.939 ( -0.000 -8.047 0.000) 8.047 9.183 ( -0.000 -22.231 0.000) 22.231 10.410 ( -0.000 -36.000 0.000) 36.000 17.140 ( 0.000 0.624 -0.000) 0.624 17.161 ( -0.000 -1.096 0.000) 1.096 18.601 ( 0.000 35.172 -0.000) 35.172 19.816 ( -0.000 -7.675 0.000) 7.675 22.042 ( 0.000 3.961 -0.000) 3.961 23.118 ( 0.000 54.167 -0.000) 54.167 23.428 ( 0.000 45.777 -0.000) 45.777 24.406 ( -0.000 -32.263 0.000) 32.263 26.031 ( -0.000 -0.277 0.000) 0.277 26.681 ( 0.000 12.042 -0.000) 12.042 28.786 ( 0.000 5.127 -0.000) 5.127 29.075 ( -0.000 -14.341 0.000) 14.341 29.442 ( -0.000 -26.034 0.000) 26.034 34.675 ( -0.000 -13.705 0.000) 13.705 34.705 ( -0.000 -15.582 0.000) 15.582 35.547 ( -0.000 -16.313 0.000) 16.313 39.242 ( 0.000 11.530 -0.000) 11.530 ======================= Grid point 599 (120/120) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.554 ( 0.000 -0.000 0.000) 0.000 5.593 ( 0.000 -0.000 0.000) 0.000 5.593 ( 0.000 -0.000 0.000) 0.000 5.658 ( -0.000 0.000 -0.000) 0.000 5.658 ( -0.000 0.000 -0.000) 0.000 6.713 ( 0.000 -0.000 0.000) 0.000 6.713 ( 0.000 -0.000 0.000) 0.000 7.585 ( 0.000 -0.000 0.000) 0.000 8.077 ( 0.000 -0.000 0.000) 0.000 8.545 ( 0.000 -0.000 0.000) 0.000 8.851 ( 0.000 -0.000 0.000) 0.000 8.851 ( 0.000 -0.000 0.000) 0.000 10.011 ( 0.000 -0.000 0.000) 0.000 17.149 ( 0.000 -0.000 0.000) 0.000 17.149 ( 0.000 -0.000 0.000) 0.000 19.006 ( 0.000 -0.000 0.000) 0.000 19.733 ( 0.000 -0.000 0.000) 0.000 22.084 ( 0.000 -0.000 0.000) 0.000 23.616 ( 0.000 -0.000 0.000) 0.000 24.039 ( 0.000 -0.000 0.000) 0.000 24.039 ( 0.000 -0.000 0.000) 0.000 26.015 ( 0.000 -0.000 0.000) 0.000 26.820 ( 0.000 -0.000 0.000) 0.000 28.911 ( 0.000 -0.000 0.000) 0.000 28.911 ( 0.000 -0.000 0.000) 0.000 29.050 ( 0.000 -0.000 0.000) 0.000 34.532 ( 0.000 -0.000 0.000) 0.000 34.532 ( 0.000 -0.000 0.000) 0.000 35.372 ( 0.000 -0.000 0.000) 0.000 39.363 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/34020 10.0 750.586 750.586 6831.837 -0.000 0.000 0.000 3/34020 20.0 1715.768 1715.768 3386.851 -0.000 0.000 0.000 3/34020 30.0 1016.828 1016.828 1057.090 -0.000 0.000 0.000 3/34020 40.0 472.935 472.935 521.451 -0.000 0.000 0.000 3/34020 50.0 254.117 254.117 272.220 -0.000 0.000 0.000 3/34020 60.0 165.155 165.155 164.827 -0.000 0.000 0.000 3/34020 70.0 122.787 122.787 113.740 -0.000 0.000 0.000 3/34020 80.0 99.968 99.968 86.033 -0.000 0.000 0.000 3/34020 90.0 86.454 86.454 69.243 -0.000 0.000 0.000 3/34020 100.0 77.777 77.777 58.141 -0.000 0.000 0.000 3/34020 110.0 71.791 71.791 50.284 -0.000 0.000 0.000 3/34020 120.0 67.394 67.394 44.424 -0.000 0.000 0.000 3/34020 130.0 63.990 63.990 39.871 -0.000 0.000 0.000 3/34020 140.0 61.241 61.241 36.219 -0.000 0.000 0.000 3/34020 150.0 58.945 58.945 33.215 -0.000 0.000 0.000 3/34020 160.0 56.975 56.975 30.695 -0.000 0.000 0.000 3/34020 170.0 55.248 55.248 28.546 -0.000 0.000 0.000 3/34020 180.0 53.704 53.704 26.689 -0.000 0.000 0.000 3/34020 190.0 52.304 52.304 25.066 -0.000 0.000 0.000 3/34020 200.0 51.018 51.018 23.635 -0.000 0.000 0.000 3/34020 210.0 49.823 49.823 22.363 -0.000 0.000 0.000 3/34020 220.0 48.704 48.704 21.224 -0.000 0.000 0.000 3/34020 230.0 47.646 47.646 20.198 -0.000 0.000 0.000 3/34020 240.0 46.642 46.642 19.269 -0.000 0.000 0.000 3/34020 250.0 45.684 45.684 18.423 -0.000 0.000 0.000 3/34020 260.0 44.765 44.765 17.650 -0.000 0.000 0.000 3/34020 270.0 43.882 43.882 16.941 -0.000 0.000 0.000 3/34020 280.0 43.032 43.032 16.288 -0.000 0.000 0.000 3/34020 290.0 42.211 42.211 15.684 -0.000 0.000 0.000 3/34020 300.0 41.417 41.417 15.125 -0.000 0.000 0.000 3/34020 310.0 40.648 40.648 14.605 -0.000 0.000 0.000 3/34020 320.0 39.904 39.904 14.121 -0.000 0.000 0.000 3/34020 330.0 39.183 39.183 13.669 -0.000 0.000 0.000 3/34020 340.0 38.483 38.483 13.245 -0.000 0.000 0.000 3/34020 350.0 37.804 37.804 12.848 -0.000 0.000 0.000 3/34020 360.0 37.145 37.145 12.475 -0.000 0.000 0.000 3/34020 370.0 36.506 36.506 12.123 -0.000 0.000 0.000 3/34020 380.0 35.884 35.884 11.791 -0.000 0.000 0.000 3/34020 390.0 35.280 35.280 11.478 -0.000 0.000 0.000 3/34020 400.0 34.694 34.694 11.181 -0.000 0.000 0.000 3/34020 410.0 34.124 34.124 10.900 -0.000 0.000 0.000 3/34020 420.0 33.570 33.570 10.633 -0.000 0.000 0.000 3/34020 430.0 33.031 33.031 10.379 -0.000 0.000 0.000 3/34020 440.0 32.507 32.507 10.137 -0.000 0.000 0.000 3/34020 450.0 31.998 31.998 9.907 -0.000 0.000 0.000 3/34020 460.0 31.502 31.502 9.687 -0.000 0.000 0.000 3/34020 470.0 31.020 31.020 9.478 -0.000 0.000 0.000 3/34020 480.0 30.551 30.551 9.277 -0.000 0.000 0.000 3/34020 490.0 30.094 30.094 9.085 -0.000 0.000 0.000 3/34020 500.0 29.649 29.649 8.901 -0.000 0.000 0.000 3/34020 510.0 29.216 29.216 8.724 -0.000 0.000 0.000 3/34020 520.0 28.794 28.794 8.555 -0.000 0.000 0.000 3/34020 530.0 28.383 28.383 8.392 -0.000 0.000 0.000 3/34020 540.0 27.983 27.983 8.235 -0.000 0.000 0.000 3/34020 550.0 27.592 27.592 8.085 -0.000 0.000 0.000 3/34020 560.0 27.212 27.212 7.940 -0.000 0.000 0.000 3/34020 570.0 26.841 26.841 7.800 -0.000 0.000 0.000 3/34020 580.0 26.479 26.479 7.665 -0.000 0.000 0.000 3/34020 590.0 26.126 26.126 7.535 -0.000 0.000 0.000 3/34020 600.0 25.782 25.782 7.409 -0.000 0.000 0.000 3/34020 610.0 25.446 25.446 7.288 -0.000 0.000 0.000 3/34020 620.0 25.118 25.118 7.170 -0.000 0.000 0.000 3/34020 630.0 24.798 24.798 7.057 -0.000 0.000 0.000 3/34020 640.0 24.485 24.485 6.947 -0.000 0.000 0.000 3/34020 650.0 24.180 24.180 6.840 -0.000 0.000 0.000 3/34020 660.0 23.882 23.882 6.737 -0.000 0.000 0.000 3/34020 670.0 23.590 23.590 6.637 -0.000 0.000 0.000 3/34020 680.0 23.305 23.305 6.540 -0.000 0.000 0.000 3/34020 690.0 23.027 23.027 6.446 -0.000 0.000 0.000 3/34020 700.0 22.754 22.754 6.354 -0.000 0.000 0.000 3/34020 710.0 22.488 22.488 6.265 -0.000 0.000 0.000 3/34020 720.0 22.228 22.228 6.179 -0.000 0.000 0.000 3/34020 730.0 21.973 21.973 6.095 -0.000 0.000 0.000 3/34020 740.0 21.724 21.724 6.013 -0.000 0.000 0.000 3/34020 750.0 21.480 21.480 5.934 -0.000 0.000 0.000 3/34020 760.0 21.241 21.241 5.856 -0.000 0.000 0.000 3/34020 770.0 21.007 21.007 5.781 -0.000 0.000 0.000 3/34020 780.0 20.778 20.778 5.708 -0.000 0.000 0.000 3/34020 790.0 20.554 20.554 5.636 -0.000 0.000 0.000 3/34020 800.0 20.334 20.334 5.566 -0.000 0.000 0.000 3/34020 810.0 20.119 20.119 5.498 -0.000 0.000 0.000 3/34020 820.0 19.908 19.908 5.432 -0.000 0.000 0.000 3/34020 830.0 19.701 19.701 5.367 -0.000 0.000 0.000 3/34020 840.0 19.499 19.499 5.304 -0.000 0.000 0.000 3/34020 850.0 19.300 19.300 5.243 -0.000 0.000 0.000 3/34020 860.0 19.105 19.105 5.182 -0.000 0.000 0.000 3/34020 870.0 18.914 18.914 5.124 -0.000 0.000 0.000 3/34020 880.0 18.727 18.727 5.066 -0.000 0.000 0.000 3/34020 890.0 18.543 18.543 5.010 -0.000 0.000 0.000 3/34020 900.0 18.362 18.362 4.955 -0.000 0.000 0.000 3/34020 910.0 18.185 18.185 4.901 -0.000 0.000 0.000 3/34020 920.0 18.012 18.012 4.848 -0.000 0.000 0.000 3/34020 930.0 17.841 17.841 4.797 -0.000 0.000 0.000 3/34020 940.0 17.673 17.673 4.747 -0.000 0.000 0.000 3/34020 950.0 17.509 17.509 4.697 -0.000 0.000 0.000 3/34020 960.0 17.347 17.347 4.649 -0.000 0.000 0.000 3/34020 970.0 17.189 17.189 4.602 -0.000 0.000 0.000 3/34020 980.0 17.033 17.033 4.555 -0.000 0.000 0.000 3/34020 990.0 16.880 16.880 4.510 -0.000 0.000 0.000 3/34020 1000.0 16.729 16.729 4.466 -0.000 0.000 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m19126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|