----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:34:19]------------------------- 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_1/amd (141) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.684606435000000 2.684606435000000 5.269445520000000 b 2.684606435000000 -2.684606435000000 5.269445520000000 c 2.684606435000000 2.684606435000000 -5.269445520000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 *3 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 4 Er 0.25000000000000 0.75000000000000 0.50000000000000 167.259 *5 F 0.60433709707479 0.62500000000000 0.47933709707479 18.998 6 F 0.14566290292521 0.12500000000000 0.52066290292521 18.998 7 F 0.87500000000000 0.85433709707479 0.47933709707479 18.998 8 F 0.87500000000000 0.39566290292521 0.02066290292521 18.998 9 F 0.60433709707479 0.12500000000000 0.97933709707479 18.998 10 F 0.37500000000000 0.39566290292521 0.52066290292521 18.998 11 F 0.37500000000000 0.85433709707479 0.97933709707479 18.998 12 F 0.14566290292521 0.62500000000000 0.02066290292521 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.369212870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.369212870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538891039999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 2 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 4 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 2 *5 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 > 3 6 Er 0.50000000000000 0.00000000000000 0.25000000000000 167.259 > 4 7 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 3 8 Er 0.00000000000000 0.50000000000000 0.75000000000000 167.259 > 4 *9 F 0.25000000000000 0.22933709707479 0.37500000000000 18.998 > 5 10 F 0.75000000000000 0.77066290292521 0.37500000000000 18.998 > 6 11 F 0.72933709707479 0.75000000000000 0.12500000000000 18.998 > 7 12 F 0.27066290292521 0.75000000000000 0.12500000000000 18.998 > 8 13 F 0.75000000000000 0.22933709707479 0.37500000000000 18.998 > 9 14 F 0.27066290292521 0.25000000000000 0.12500000000000 18.998 > 10 15 F 0.72933709707479 0.25000000000000 0.12500000000000 18.998 > 11 16 F 0.25000000000000 0.77066290292521 0.37500000000000 18.998 > 12 17 F 0.75000000000000 0.72933709707479 0.87500000000000 18.998 > 5 18 F 0.25000000000000 0.27066290292521 0.87500000000000 18.998 > 6 19 F 0.22933709707479 0.25000000000000 0.62500000000000 18.998 > 7 20 F 0.77066290292521 0.25000000000000 0.62500000000000 18.998 > 8 21 F 0.25000000000000 0.72933709707479 0.87500000000000 18.998 > 9 22 F 0.77066290292521 0.75000000000000 0.62500000000000 18.998 > 10 23 F 0.22933709707479 0.75000000000000 0.62500000000000 18.998 > 11 24 F 0.75000000000000 0.27066290292521 0.87500000000000 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.738425740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.738425740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538891039999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 2 6 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 2 7 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 2 8 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 2 9 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 1 10 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 11 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 12 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 1 13 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 2 14 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 2 15 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 2 16 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 2 *17 Er 0.25000000000000 0.25000000000000 0.00000000000000 167.259 > 3 18 Er 0.75000000000000 0.25000000000000 0.00000000000000 167.259 > 3 19 Er 0.25000000000000 0.75000000000000 0.00000000000000 167.259 > 3 20 Er 0.75000000000000 0.75000000000000 0.00000000000000 167.259 > 3 21 Er 0.25000000000000 0.00000000000000 0.25000000000000 167.259 > 4 22 Er 0.75000000000000 0.00000000000000 0.25000000000000 167.259 > 4 23 Er 0.25000000000000 0.50000000000000 0.25000000000000 167.259 > 4 24 Er 0.75000000000000 0.50000000000000 0.25000000000000 167.259 > 4 25 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 3 26 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 3 27 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 3 28 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 3 29 Er 0.00000000000000 0.25000000000000 0.75000000000000 167.259 > 4 30 Er 0.50000000000000 0.25000000000000 0.75000000000000 167.259 > 4 31 Er 0.00000000000000 0.75000000000000 0.75000000000000 167.259 > 4 32 Er 0.50000000000000 0.75000000000000 0.75000000000000 167.259 > 4 *33 F 0.12500000000000 0.11466854853739 0.37500000000000 18.998 > 5 34 F 0.62500000000000 0.11466854853739 0.37500000000000 18.998 > 5 35 F 0.12500000000000 0.61466854853739 0.37500000000000 18.998 > 5 36 F 0.62500000000000 0.61466854853739 0.37500000000000 18.998 > 5 37 F 0.37500000000000 0.38533145146261 0.37500000000000 18.998 > 6 38 F 0.87500000000000 0.38533145146261 0.37500000000000 18.998 > 6 39 F 0.37500000000000 0.88533145146261 0.37500000000000 18.998 > 6 40 F 0.87500000000000 0.88533145146261 0.37500000000000 18.998 > 6 41 F 0.36466854853739 0.37500000000000 0.12500000000000 18.998 > 7 42 F 0.86466854853739 0.37500000000000 0.12500000000000 18.998 > 7 43 F 0.36466854853739 0.87500000000000 0.12500000000000 18.998 > 7 44 F 0.86466854853739 0.87500000000000 0.12500000000000 18.998 > 7 45 F 0.13533145146261 0.37500000000000 0.12500000000000 18.998 > 8 46 F 0.63533145146261 0.37500000000000 0.12500000000000 18.998 > 8 47 F 0.13533145146261 0.87500000000000 0.12500000000000 18.998 > 8 48 F 0.63533145146261 0.87500000000000 0.12500000000000 18.998 > 8 49 F 0.37500000000000 0.11466854853739 0.37500000000000 18.998 > 9 50 F 0.87500000000000 0.11466854853739 0.37500000000000 18.998 > 9 51 F 0.37500000000000 0.61466854853739 0.37500000000000 18.998 > 9 52 F 0.87500000000000 0.61466854853739 0.37500000000000 18.998 > 9 53 F 0.13533145146261 0.12500000000000 0.12500000000000 18.998 > 10 54 F 0.63533145146261 0.12500000000000 0.12500000000000 18.998 > 10 55 F 0.13533145146261 0.62500000000000 0.12500000000000 18.998 > 10 56 F 0.63533145146261 0.62500000000000 0.12500000000000 18.998 > 10 57 F 0.36466854853739 0.12500000000000 0.12500000000000 18.998 > 11 58 F 0.86466854853739 0.12500000000000 0.12500000000000 18.998 > 11 59 F 0.36466854853739 0.62500000000000 0.12500000000000 18.998 > 11 60 F 0.86466854853739 0.62500000000000 0.12500000000000 18.998 > 11 61 F 0.12500000000000 0.38533145146261 0.37500000000000 18.998 > 12 62 F 0.62500000000000 0.38533145146261 0.37500000000000 18.998 > 12 63 F 0.12500000000000 0.88533145146261 0.37500000000000 18.998 > 12 64 F 0.62500000000000 0.88533145146261 0.37500000000000 18.998 > 12 65 F 0.37500000000000 0.36466854853739 0.87500000000000 18.998 > 5 66 F 0.87500000000000 0.36466854853739 0.87500000000000 18.998 > 5 67 F 0.37500000000000 0.86466854853739 0.87500000000000 18.998 > 5 68 F 0.87500000000000 0.86466854853739 0.87500000000000 18.998 > 5 69 F 0.12500000000000 0.13533145146261 0.87500000000000 18.998 > 6 70 F 0.62500000000000 0.13533145146261 0.87500000000000 18.998 > 6 71 F 0.12500000000000 0.63533145146261 0.87500000000000 18.998 > 6 72 F 0.62500000000000 0.63533145146261 0.87500000000000 18.998 > 6 73 F 0.11466854853739 0.12500000000000 0.62500000000000 18.998 > 7 74 F 0.61466854853739 0.12500000000000 0.62500000000000 18.998 > 7 75 F 0.11466854853739 0.62500000000000 0.62500000000000 18.998 > 7 76 F 0.61466854853739 0.62500000000000 0.62500000000000 18.998 > 7 77 F 0.38533145146261 0.12500000000000 0.62500000000000 18.998 > 8 78 F 0.88533145146261 0.12500000000000 0.62500000000000 18.998 > 8 79 F 0.38533145146261 0.62500000000000 0.62500000000000 18.998 > 8 80 F 0.88533145146261 0.62500000000000 0.62500000000000 18.998 > 8 81 F 0.12500000000000 0.36466854853739 0.87500000000000 18.998 > 9 82 F 0.62500000000000 0.36466854853739 0.87500000000000 18.998 > 9 83 F 0.12500000000000 0.86466854853739 0.87500000000000 18.998 > 9 84 F 0.62500000000000 0.86466854853739 0.87500000000000 18.998 > 9 85 F 0.38533145146261 0.37500000000000 0.62500000000000 18.998 > 10 86 F 0.88533145146261 0.37500000000000 0.62500000000000 18.998 > 10 87 F 0.38533145146261 0.87500000000000 0.62500000000000 18.998 > 10 88 F 0.88533145146261 0.87500000000000 0.62500000000000 18.998 > 10 89 F 0.11466854853739 0.37500000000000 0.62500000000000 18.998 > 11 90 F 0.61466854853739 0.37500000000000 0.62500000000000 18.998 > 11 91 F 0.11466854853739 0.87500000000000 0.62500000000000 18.998 > 11 92 F 0.61466854853739 0.87500000000000 0.62500000000000 18.998 > 11 93 F 0.37500000000000 0.13533145146261 0.87500000000000 18.998 > 12 94 F 0.87500000000000 0.13533145146261 0.87500000000000 18.998 > 12 95 F 0.37500000000000 0.63533145146261 0.87500000000000 18.998 > 12 96 F 0.87500000000000 0.63533145146261 0.87500000000000 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2545395 0.0000000 0.0000000 0.0000000 2.2545395 0.0000000 0.0000000 0.0000000 2.3337575 -------------------------- Born effective charges -------------------------- 1 Na 1.1317433 0.0000000 0.0000000 0.0000000 1.1317433 0.0000000 0.0000000 0.0000000 1.0241288 2 Na 1.1317433 0.0000000 0.0000000 0.0000000 1.1317433 0.0000000 0.0000000 0.0000000 1.0241288 3 Er 3.4632307 0.0000000 0.0000000 0.0000000 3.4632307 0.0000000 0.0000000 0.0000000 3.9068712 4 Er 3.4632307 0.0000000 0.0000000 0.0000000 3.4632307 0.0000000 0.0000000 0.0000000 3.9068712 5 F -1.2328860 0.0000000 0.4609150 0.0000000 -1.0646010 0.0000000 0.4372278 0.0000000 -1.2327500 6 F -1.2328860 0.0000000 -0.4609150 0.0000000 -1.0646010 0.0000000 -0.4372278 0.0000000 -1.2327500 7 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 -0.4609150 0.0000000 -0.4372278 -1.2327500 8 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 -0.4609150 0.0000000 -0.4372278 -1.2327500 9 F -1.2328860 0.0000000 -0.4609150 0.0000000 -1.0646010 0.0000000 -0.4372278 0.0000000 -1.2327500 10 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 0.4609150 0.0000000 0.4372278 -1.2327500 11 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 0.4609150 0.0000000 0.4372278 -1.2327500 12 F -1.2328860 0.0000000 0.4609150 0.0000000 -1.0646010 0.0000000 0.4372278 0.0000000 -1.2327500 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 385 Number of blocks in projector: 389 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 65 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (385, 376), data: False |-- (63, 63), data: True |-- (65, 62), data: True |-- (117, 113), data: True |-- (140, 138), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.268 Solver_block: 160 / 160 - Time: 0.171 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.447 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 385 Number of blocks in projector: 389 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: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 117 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 65 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (385, 376), data: False |-- (63, 63), data: True |-- (65, 62), data: True |-- (117, 113), data: True |-- (140, 138), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:34:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:34:26]------------------------- 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_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.684606435000000 2.684606435000000 5.269445520000000 b 2.684606435000000 -2.684606435000000 5.269445520000000 c 2.684606435000000 2.684606435000000 -5.269445520000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 3 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 4 Er 0.25000000000000 0.75000000000000 0.50000000000000 167.259 5 F 0.60433709707479 0.62500000000000 0.47933709707479 18.998 6 F 0.14566290292521 0.12500000000000 0.52066290292521 18.998 7 F 0.87500000000000 0.85433709707479 0.47933709707479 18.998 8 F 0.87500000000000 0.39566290292521 0.02066290292521 18.998 9 F 0.60433709707479 0.12500000000000 0.97933709707479 18.998 10 F 0.37500000000000 0.39566290292521 0.52066290292521 18.998 11 F 0.37500000000000 0.85433709707479 0.97933709707479 18.998 12 F 0.14566290292521 0.62500000000000 0.02066290292521 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.738425740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.738425740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538891039999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 5 6 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 5 7 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 5 8 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 5 9 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 1 10 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 11 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 12 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 1 13 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 5 14 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 5 15 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 5 16 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 5 17 Er 0.25000000000000 0.25000000000000 0.00000000000000 167.259 > 17 18 Er 0.75000000000000 0.25000000000000 0.00000000000000 167.259 > 17 19 Er 0.25000000000000 0.75000000000000 0.00000000000000 167.259 > 17 20 Er 0.75000000000000 0.75000000000000 0.00000000000000 167.259 > 17 21 Er 0.25000000000000 0.00000000000000 0.25000000000000 167.259 > 21 22 Er 0.75000000000000 0.00000000000000 0.25000000000000 167.259 > 21 23 Er 0.25000000000000 0.50000000000000 0.25000000000000 167.259 > 21 24 Er 0.75000000000000 0.50000000000000 0.25000000000000 167.259 > 21 25 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 17 26 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 17 27 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 17 28 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 17 29 Er 0.00000000000000 0.25000000000000 0.75000000000000 167.259 > 21 30 Er 0.50000000000000 0.25000000000000 0.75000000000000 167.259 > 21 31 Er 0.00000000000000 0.75000000000000 0.75000000000000 167.259 > 21 32 Er 0.50000000000000 0.75000000000000 0.75000000000000 167.259 > 21 33 F 0.12500000000000 0.11466854853739 0.37500000000000 18.998 > 33 34 F 0.62500000000000 0.11466854853739 0.37500000000000 18.998 > 33 35 F 0.12500000000000 0.61466854853739 0.37500000000000 18.998 > 33 36 F 0.62500000000000 0.61466854853739 0.37500000000000 18.998 > 33 37 F 0.37500000000000 0.38533145146261 0.37500000000000 18.998 > 37 38 F 0.87500000000000 0.38533145146261 0.37500000000000 18.998 > 37 39 F 0.37500000000000 0.88533145146261 0.37500000000000 18.998 > 37 40 F 0.87500000000000 0.88533145146261 0.37500000000000 18.998 > 37 41 F 0.36466854853739 0.37500000000000 0.12500000000000 18.998 > 41 42 F 0.86466854853739 0.37500000000000 0.12500000000000 18.998 > 41 43 F 0.36466854853739 0.87500000000000 0.12500000000000 18.998 > 41 44 F 0.86466854853739 0.87500000000000 0.12500000000000 18.998 > 41 45 F 0.13533145146261 0.37500000000000 0.12500000000000 18.998 > 45 46 F 0.63533145146261 0.37500000000000 0.12500000000000 18.998 > 45 47 F 0.13533145146261 0.87500000000000 0.12500000000000 18.998 > 45 48 F 0.63533145146261 0.87500000000000 0.12500000000000 18.998 > 45 49 F 0.37500000000000 0.11466854853739 0.37500000000000 18.998 > 49 50 F 0.87500000000000 0.11466854853739 0.37500000000000 18.998 > 49 51 F 0.37500000000000 0.61466854853739 0.37500000000000 18.998 > 49 52 F 0.87500000000000 0.61466854853739 0.37500000000000 18.998 > 49 53 F 0.13533145146261 0.12500000000000 0.12500000000000 18.998 > 53 54 F 0.63533145146261 0.12500000000000 0.12500000000000 18.998 > 53 55 F 0.13533145146261 0.62500000000000 0.12500000000000 18.998 > 53 56 F 0.63533145146261 0.62500000000000 0.12500000000000 18.998 > 53 57 F 0.36466854853739 0.12500000000000 0.12500000000000 18.998 > 57 58 F 0.86466854853739 0.12500000000000 0.12500000000000 18.998 > 57 59 F 0.36466854853739 0.62500000000000 0.12500000000000 18.998 > 57 60 F 0.86466854853739 0.62500000000000 0.12500000000000 18.998 > 57 61 F 0.12500000000000 0.38533145146261 0.37500000000000 18.998 > 61 62 F 0.62500000000000 0.38533145146261 0.37500000000000 18.998 > 61 63 F 0.12500000000000 0.88533145146261 0.37500000000000 18.998 > 61 64 F 0.62500000000000 0.88533145146261 0.37500000000000 18.998 > 61 65 F 0.37500000000000 0.36466854853739 0.87500000000000 18.998 > 33 66 F 0.87500000000000 0.36466854853739 0.87500000000000 18.998 > 33 67 F 0.37500000000000 0.86466854853739 0.87500000000000 18.998 > 33 68 F 0.87500000000000 0.86466854853739 0.87500000000000 18.998 > 33 69 F 0.12500000000000 0.13533145146261 0.87500000000000 18.998 > 37 70 F 0.62500000000000 0.13533145146261 0.87500000000000 18.998 > 37 71 F 0.12500000000000 0.63533145146261 0.87500000000000 18.998 > 37 72 F 0.62500000000000 0.63533145146261 0.87500000000000 18.998 > 37 73 F 0.11466854853739 0.12500000000000 0.62500000000000 18.998 > 41 74 F 0.61466854853739 0.12500000000000 0.62500000000000 18.998 > 41 75 F 0.11466854853739 0.62500000000000 0.62500000000000 18.998 > 41 76 F 0.61466854853739 0.62500000000000 0.62500000000000 18.998 > 41 77 F 0.38533145146261 0.12500000000000 0.62500000000000 18.998 > 45 78 F 0.88533145146261 0.12500000000000 0.62500000000000 18.998 > 45 79 F 0.38533145146261 0.62500000000000 0.62500000000000 18.998 > 45 80 F 0.88533145146261 0.62500000000000 0.62500000000000 18.998 > 45 81 F 0.12500000000000 0.36466854853739 0.87500000000000 18.998 > 49 82 F 0.62500000000000 0.36466854853739 0.87500000000000 18.998 > 49 83 F 0.12500000000000 0.86466854853739 0.87500000000000 18.998 > 49 84 F 0.62500000000000 0.86466854853739 0.87500000000000 18.998 > 49 85 F 0.38533145146261 0.37500000000000 0.62500000000000 18.998 > 53 86 F 0.88533145146261 0.37500000000000 0.62500000000000 18.998 > 53 87 F 0.38533145146261 0.87500000000000 0.62500000000000 18.998 > 53 88 F 0.88533145146261 0.87500000000000 0.62500000000000 18.998 > 53 89 F 0.11466854853739 0.37500000000000 0.62500000000000 18.998 > 57 90 F 0.61466854853739 0.37500000000000 0.62500000000000 18.998 > 57 91 F 0.11466854853739 0.87500000000000 0.62500000000000 18.998 > 57 92 F 0.61466854853739 0.87500000000000 0.62500000000000 18.998 > 57 93 F 0.37500000000000 0.13533145146261 0.87500000000000 18.998 > 61 94 F 0.87500000000000 0.13533145146261 0.87500000000000 18.998 > 61 95 F 0.37500000000000 0.63533145146261 0.87500000000000 18.998 > 61 96 F 0.87500000000000 0.63533145146261 0.87500000000000 18.998 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2545395 0.0000000 0.0000000 0.0000000 2.2545395 0.0000000 0.0000000 0.0000000 2.3337575 -------------------------- Born effective charges -------------------------- 1 Na 1.1317433 0.0000000 0.0000000 0.0000000 1.1317433 0.0000000 0.0000000 0.0000000 1.0241288 2 Na 1.1317433 0.0000000 0.0000000 0.0000000 1.1317433 0.0000000 0.0000000 0.0000000 1.0241288 3 Er 3.4632307 0.0000000 0.0000000 0.0000000 3.4632307 0.0000000 0.0000000 0.0000000 3.9068712 4 Er 3.4632307 0.0000000 0.0000000 0.0000000 3.4632307 0.0000000 0.0000000 0.0000000 3.9068712 5 F -1.2328860 0.0000000 0.4609150 0.0000000 -1.0646010 0.0000000 0.4372278 0.0000000 -1.2327500 6 F -1.2328860 0.0000000 -0.4609150 0.0000000 -1.0646010 0.0000000 -0.4372278 0.0000000 -1.2327500 7 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 -0.4609150 0.0000000 -0.4372278 -1.2327500 8 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 -0.4609150 0.0000000 -0.4372278 -1.2327500 9 F -1.2328860 0.0000000 -0.4609150 0.0000000 -1.0646010 0.0000000 -0.4372278 0.0000000 -1.2327500 10 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 0.4609150 0.0000000 0.4372278 -1.2327500 11 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 0.4609150 0.0000000 0.4372278 -1.2327500 12 F -1.2328860 0.0000000 0.4609150 0.0000000 -1.0646010 0.0000000 0.4372278 0.0000000 -1.2327500 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:34:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:34:32]------------------------- 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_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.684606435000000 2.684606435000000 5.269445520000000 b 2.684606435000000 -2.684606435000000 5.269445520000000 c 2.684606435000000 2.684606435000000 -5.269445520000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 3 Er 0.50000000000000 0.50000000000000 0.00000000000000 167.259 4 Er 0.25000000000000 0.75000000000000 0.50000000000000 167.259 5 F 0.60433709707479 0.62500000000000 0.47933709707479 18.998 6 F 0.14566290292521 0.12500000000000 0.52066290292521 18.998 7 F 0.87500000000000 0.85433709707479 0.47933709707479 18.998 8 F 0.87500000000000 0.39566290292521 0.02066290292521 18.998 9 F 0.60433709707479 0.12500000000000 0.97933709707479 18.998 10 F 0.37500000000000 0.39566290292521 0.52066290292521 18.998 11 F 0.37500000000000 0.85433709707479 0.97933709707479 18.998 12 F 0.14566290292521 0.62500000000000 0.02066290292521 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.738425740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.738425740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.538891039999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 5 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 5 6 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 5 7 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 5 8 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 5 9 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 1 10 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 11 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 12 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 1 13 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 5 14 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 5 15 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 5 16 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 5 17 Er 0.25000000000000 0.25000000000000 0.00000000000000 167.259 > 17 18 Er 0.75000000000000 0.25000000000000 0.00000000000000 167.259 > 17 19 Er 0.25000000000000 0.75000000000000 0.00000000000000 167.259 > 17 20 Er 0.75000000000000 0.75000000000000 0.00000000000000 167.259 > 17 21 Er 0.25000000000000 0.00000000000000 0.25000000000000 167.259 > 21 22 Er 0.75000000000000 0.00000000000000 0.25000000000000 167.259 > 21 23 Er 0.25000000000000 0.50000000000000 0.25000000000000 167.259 > 21 24 Er 0.75000000000000 0.50000000000000 0.25000000000000 167.259 > 21 25 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 17 26 Er 0.50000000000000 0.00000000000000 0.50000000000000 167.259 > 17 27 Er 0.00000000000000 0.50000000000000 0.50000000000000 167.259 > 17 28 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 > 17 29 Er 0.00000000000000 0.25000000000000 0.75000000000000 167.259 > 21 30 Er 0.50000000000000 0.25000000000000 0.75000000000000 167.259 > 21 31 Er 0.00000000000000 0.75000000000000 0.75000000000000 167.259 > 21 32 Er 0.50000000000000 0.75000000000000 0.75000000000000 167.259 > 21 33 F 0.12500000000000 0.11466854853739 0.37500000000000 18.998 > 33 34 F 0.62500000000000 0.11466854853739 0.37500000000000 18.998 > 33 35 F 0.12500000000000 0.61466854853739 0.37500000000000 18.998 > 33 36 F 0.62500000000000 0.61466854853739 0.37500000000000 18.998 > 33 37 F 0.37500000000000 0.38533145146261 0.37500000000000 18.998 > 37 38 F 0.87500000000000 0.38533145146261 0.37500000000000 18.998 > 37 39 F 0.37500000000000 0.88533145146261 0.37500000000000 18.998 > 37 40 F 0.87500000000000 0.88533145146261 0.37500000000000 18.998 > 37 41 F 0.36466854853739 0.37500000000000 0.12500000000000 18.998 > 41 42 F 0.86466854853739 0.37500000000000 0.12500000000000 18.998 > 41 43 F 0.36466854853739 0.87500000000000 0.12500000000000 18.998 > 41 44 F 0.86466854853739 0.87500000000000 0.12500000000000 18.998 > 41 45 F 0.13533145146261 0.37500000000000 0.12500000000000 18.998 > 45 46 F 0.63533145146261 0.37500000000000 0.12500000000000 18.998 > 45 47 F 0.13533145146261 0.87500000000000 0.12500000000000 18.998 > 45 48 F 0.63533145146261 0.87500000000000 0.12500000000000 18.998 > 45 49 F 0.37500000000000 0.11466854853739 0.37500000000000 18.998 > 49 50 F 0.87500000000000 0.11466854853739 0.37500000000000 18.998 > 49 51 F 0.37500000000000 0.61466854853739 0.37500000000000 18.998 > 49 52 F 0.87500000000000 0.61466854853739 0.37500000000000 18.998 > 49 53 F 0.13533145146261 0.12500000000000 0.12500000000000 18.998 > 53 54 F 0.63533145146261 0.12500000000000 0.12500000000000 18.998 > 53 55 F 0.13533145146261 0.62500000000000 0.12500000000000 18.998 > 53 56 F 0.63533145146261 0.62500000000000 0.12500000000000 18.998 > 53 57 F 0.36466854853739 0.12500000000000 0.12500000000000 18.998 > 57 58 F 0.86466854853739 0.12500000000000 0.12500000000000 18.998 > 57 59 F 0.36466854853739 0.62500000000000 0.12500000000000 18.998 > 57 60 F 0.86466854853739 0.62500000000000 0.12500000000000 18.998 > 57 61 F 0.12500000000000 0.38533145146261 0.37500000000000 18.998 > 61 62 F 0.62500000000000 0.38533145146261 0.37500000000000 18.998 > 61 63 F 0.12500000000000 0.88533145146261 0.37500000000000 18.998 > 61 64 F 0.62500000000000 0.88533145146261 0.37500000000000 18.998 > 61 65 F 0.37500000000000 0.36466854853739 0.87500000000000 18.998 > 33 66 F 0.87500000000000 0.36466854853739 0.87500000000000 18.998 > 33 67 F 0.37500000000000 0.86466854853739 0.87500000000000 18.998 > 33 68 F 0.87500000000000 0.86466854853739 0.87500000000000 18.998 > 33 69 F 0.12500000000000 0.13533145146261 0.87500000000000 18.998 > 37 70 F 0.62500000000000 0.13533145146261 0.87500000000000 18.998 > 37 71 F 0.12500000000000 0.63533145146261 0.87500000000000 18.998 > 37 72 F 0.62500000000000 0.63533145146261 0.87500000000000 18.998 > 37 73 F 0.11466854853739 0.12500000000000 0.62500000000000 18.998 > 41 74 F 0.61466854853739 0.12500000000000 0.62500000000000 18.998 > 41 75 F 0.11466854853739 0.62500000000000 0.62500000000000 18.998 > 41 76 F 0.61466854853739 0.62500000000000 0.62500000000000 18.998 > 41 77 F 0.38533145146261 0.12500000000000 0.62500000000000 18.998 > 45 78 F 0.88533145146261 0.12500000000000 0.62500000000000 18.998 > 45 79 F 0.38533145146261 0.62500000000000 0.62500000000000 18.998 > 45 80 F 0.88533145146261 0.62500000000000 0.62500000000000 18.998 > 45 81 F 0.12500000000000 0.36466854853739 0.87500000000000 18.998 > 49 82 F 0.62500000000000 0.36466854853739 0.87500000000000 18.998 > 49 83 F 0.12500000000000 0.86466854853739 0.87500000000000 18.998 > 49 84 F 0.62500000000000 0.86466854853739 0.87500000000000 18.998 > 49 85 F 0.38533145146261 0.37500000000000 0.62500000000000 18.998 > 53 86 F 0.88533145146261 0.37500000000000 0.62500000000000 18.998 > 53 87 F 0.38533145146261 0.87500000000000 0.62500000000000 18.998 > 53 88 F 0.88533145146261 0.87500000000000 0.62500000000000 18.998 > 53 89 F 0.11466854853739 0.37500000000000 0.62500000000000 18.998 > 57 90 F 0.61466854853739 0.37500000000000 0.62500000000000 18.998 > 57 91 F 0.11466854853739 0.87500000000000 0.62500000000000 18.998 > 57 92 F 0.61466854853739 0.87500000000000 0.62500000000000 18.998 > 57 93 F 0.37500000000000 0.13533145146261 0.87500000000000 18.998 > 61 94 F 0.87500000000000 0.13533145146261 0.87500000000000 18.998 > 61 95 F 0.37500000000000 0.63533145146261 0.87500000000000 18.998 > 61 96 F 0.87500000000000 0.63533145146261 0.87500000000000 18.998 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2545395 0.0000000 0.0000000 0.0000000 2.2545395 0.0000000 0.0000000 0.0000000 2.3337575 -------------------------- Born effective charges -------------------------- 1 Na 1.1317433 0.0000000 0.0000000 0.0000000 1.1317433 0.0000000 0.0000000 0.0000000 1.0241288 2 Na 1.1317433 0.0000000 0.0000000 0.0000000 1.1317433 0.0000000 0.0000000 0.0000000 1.0241288 3 Er 3.4632307 0.0000000 0.0000000 0.0000000 3.4632307 0.0000000 0.0000000 0.0000000 3.9068712 4 Er 3.4632307 0.0000000 0.0000000 0.0000000 3.4632307 0.0000000 0.0000000 0.0000000 3.9068712 5 F -1.2328860 0.0000000 0.4609150 0.0000000 -1.0646010 0.0000000 0.4372278 0.0000000 -1.2327500 6 F -1.2328860 0.0000000 -0.4609150 0.0000000 -1.0646010 0.0000000 -0.4372278 0.0000000 -1.2327500 7 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 -0.4609150 0.0000000 -0.4372278 -1.2327500 8 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 -0.4609150 0.0000000 -0.4372278 -1.2327500 9 F -1.2328860 0.0000000 -0.4609150 0.0000000 -1.0646010 0.0000000 -0.4372278 0.0000000 -1.2327500 10 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 0.4609150 0.0000000 0.4372278 -1.2327500 11 F -1.0646010 0.0000000 0.0000000 0.0000000 -1.2328860 0.4609150 0.0000000 0.4372278 -1.2327500 12 F -1.2328860 0.0000000 0.4609150 0.0000000 -1.0646010 0.0000000 0.4372278 0.0000000 -1.2327500 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (zzz) 0.00000007 (zzz) 0.00000007 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 90 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 5 5 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: 0.78, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 0.822 ( 0.000 0.000 -0.000) 0.000 4.079 ( -0.000 0.000 -0.000) 0.000 4.079 ( 0.000 0.000 -0.000) 0.000 4.259 ( 0.000 0.000 -0.000) 0.000 4.523 ( -0.000 0.000 0.000) 0.000 4.760 ( -0.000 0.000 0.000) 0.000 4.978 ( -0.000 0.000 0.000) 0.000 4.978 ( -0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 -0.000) 0.000 5.626 ( -0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 -0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.129 ( -0.000 0.000 -0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.199 ( -0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.812 ( -0.000 0.000 0.000) 0.000 7.518 ( -0.000 0.000 0.000) 0.000 7.518 ( -0.000 0.000 0.000) 0.000 7.569 ( -0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 -0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.380 ( -0.000 0.000 0.000) 0.000 10.106 ( -0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.581 ( -0.000 0.000 0.000) 0.000 10.646 ( -0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 -0.000) 0.000 12.593 ( -0.000 0.000 -0.000) 0.000 14.231 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 16.707 16.707 0.000) 23.627 0.810 ( 18.922 18.922 0.000) 26.760 1.269 ( 28.627 28.627 0.000) 40.485 1.430 ( 22.358 22.358 0.000) 31.620 3.897 ( -7.371 -7.371 -0.000) 10.425 4.136 ( 1.731 1.731 0.000) 2.448 4.307 ( -7.098 -7.098 -0.000) 10.038 4.409 ( 6.860 6.860 0.000) 9.701 4.739 ( -1.251 -1.251 -0.000) 1.770 5.096 ( 6.195 6.195 0.000) 8.762 5.193 ( 9.652 9.652 0.000) 13.650 5.735 ( 4.666 4.666 0.000) 6.598 5.789 ( 16.828 16.828 0.000) 23.798 5.951 ( -3.696 -3.696 -0.000) 5.227 6.227 ( 4.724 4.724 0.000) 6.681 6.280 ( 8.651 8.651 0.000) 12.235 6.292 ( -2.977 -2.977 -0.000) 4.210 6.403 ( 8.993 8.993 0.000) 12.719 6.497 ( 0.962 0.962 0.000) 1.361 6.685 ( -5.834 -5.834 -0.000) 8.251 7.610 ( 2.187 2.187 0.000) 3.093 7.611 ( 2.253 2.253 0.000) 3.187 7.641 ( 5.862 5.862 0.000) 8.290 9.258 ( 4.616 4.616 0.000) 6.529 9.365 ( -0.618 -0.618 -0.000) 0.874 10.020 ( -4.279 -4.279 -0.000) 6.051 10.508 ( -5.186 -5.186 -0.000) 7.334 10.527 ( -3.865 -3.865 -0.000) 5.467 10.574 ( -0.202 -0.202 -0.000) 0.286 11.086 ( -0.804 -0.804 -0.000) 1.136 11.550 ( -2.108 -2.108 -0.000) 2.981 11.580 ( -0.865 -0.865 -0.000) 1.224 11.946 ( -4.213 -4.213 -0.000) 5.958 12.480 ( -5.228 -5.228 -0.000) 7.394 12.981 ( -0.103 -0.103 -0.000) 0.145 14.157 ( -3.519 -3.519 -0.000) 4.977 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 15.929 15.929 0.000) 22.527 1.532 ( 15.537 15.537 0.000) 21.973 2.273 ( 18.640 18.640 0.000) 26.360 2.375 ( 22.009 22.009 0.000) 31.125 3.579 ( -7.084 -7.084 -0.000) 10.018 4.060 ( -4.462 -4.462 -0.000) 6.311 4.087 ( -5.543 -5.543 -0.000) 7.839 4.651 ( -2.964 -2.964 -0.000) 4.192 4.783 ( 10.744 10.744 0.000) 15.195 5.491 ( 12.448 12.448 0.000) 17.604 5.752 ( 16.046 16.046 0.000) 22.693 5.846 ( -0.282 -0.282 -0.000) 0.399 5.959 ( 5.524 5.524 0.000) 7.813 6.214 ( 1.232 1.232 0.000) 1.742 6.299 ( 5.726 5.726 0.000) 8.098 6.330 ( -3.193 -3.193 -0.000) 4.516 6.347 ( -8.697 -8.697 -0.000) 12.299 6.729 ( 18.695 18.695 0.000) 26.438 6.832 ( 9.346 9.346 0.000) 13.217 6.872 ( 12.024 12.024 0.000) 17.004 7.783 ( 6.789 6.789 0.000) 9.602 7.811 ( 8.808 8.808 0.000) 12.456 7.991 ( 10.778 10.778 0.000) 15.243 9.347 ( 0.140 0.140 0.000) 0.198 9.516 ( 7.357 7.357 0.000) 10.405 9.741 ( -9.240 -9.240 -0.000) 13.068 10.168 ( -10.237 -10.237 -0.000) 14.477 10.336 ( -5.972 -5.972 -0.000) 8.446 10.579 ( 0.650 0.650 0.000) 0.920 11.057 ( -0.463 -0.463 -0.000) 0.655 11.427 ( -3.721 -3.721 -0.000) 5.262 11.504 ( -2.981 -2.981 -0.000) 4.216 11.700 ( -7.421 -7.421 -0.000) 10.495 12.166 ( -9.987 -9.987 -0.000) 14.124 12.948 ( -1.367 -1.367 -0.000) 1.933 13.947 ( -6.511 -6.511 -0.000) 9.208 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 12.632 12.632 0.000) 17.865 2.061 ( 9.769 9.769 0.000) 13.815 2.761 ( 5.634 5.634 0.000) 7.968 3.182 ( 16.148 16.148 0.000) 22.837 3.364 ( -2.703 -2.703 -0.000) 3.823 3.682 ( -12.588 -12.588 -0.000) 17.802 3.940 ( -1.482 -1.482 -0.000) 2.096 4.498 ( -4.372 -4.372 -0.000) 6.184 5.274 ( 12.579 12.579 0.000) 17.790 5.906 ( -2.896 -2.896 -0.000) 4.095 5.919 ( 2.649 2.649 0.000) 3.747 6.101 ( 6.183 6.183 0.000) 8.744 6.109 ( -2.700 -2.700 -0.000) 3.818 6.193 ( 1.012 1.012 0.000) 1.431 6.202 ( 6.672 6.672 0.000) 9.436 6.531 ( 7.586 7.586 0.000) 10.728 6.714 ( 20.973 20.973 0.000) 29.660 7.011 ( -0.752 -0.752 -0.000) 1.064 7.236 ( 5.032 5.032 0.000) 7.117 7.494 ( 16.612 16.612 0.000) 23.493 8.170 ( 10.277 10.277 0.000) 14.534 8.399 ( 17.655 17.655 0.000) 24.968 8.473 ( 11.313 11.313 0.000) 15.998 9.270 ( -12.621 -12.621 -0.000) 17.849 9.426 ( 4.335 4.335 0.000) 6.130 9.695 ( -12.124 -12.124 -0.000) 17.146 9.814 ( 6.086 6.086 0.000) 8.607 10.053 ( -7.075 -7.075 -0.000) 10.005 10.644 ( 2.622 2.622 0.000) 3.708 11.040 ( -0.630 -0.630 -0.000) 0.890 11.252 ( -4.569 -4.569 -0.000) 6.462 11.327 ( -5.455 -5.455 -0.000) 7.715 11.358 ( -8.597 -8.597 -0.000) 12.158 11.662 ( -13.922 -13.922 -0.000) 19.689 12.906 ( 0.022 0.022 0.000) 0.032 13.633 ( -8.424 -8.424 -0.000) 11.914 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.584 3.584 0.000) 5.069 2.340 ( 4.055 4.055 0.000) 5.734 2.903 ( 3.600 3.600 0.000) 5.091 3.182 ( -10.162 -10.162 -0.000) 14.371 3.397 ( 4.146 4.146 0.000) 5.864 3.558 ( -0.100 -0.100 -0.000) 0.142 4.002 ( 6.009 6.009 0.000) 8.498 4.283 ( -6.153 -6.153 -0.000) 8.702 5.746 ( 9.014 9.014 0.000) 12.747 5.756 ( -0.316 -0.316 -0.000) 0.446 5.885 ( -5.478 -5.478 -0.000) 7.748 5.963 ( -1.512 -1.512 -0.000) 2.139 6.287 ( 1.552 1.552 0.000) 2.195 6.297 ( 1.421 1.421 0.000) 2.009 6.512 ( 8.210 8.210 0.000) 11.610 6.838 ( -6.795 -6.795 -0.000) 9.610 6.987 ( 11.521 11.521 0.000) 16.293 7.291 ( -2.645 -2.645 -0.000) 3.741 7.627 ( 21.930 21.930 0.000) 31.014 8.073 ( 11.513 11.513 0.000) 16.282 8.395 ( -1.892 -1.892 -0.000) 2.675 8.460 ( -17.035 -17.035 -0.000) 24.092 8.871 ( 8.385 8.385 0.000) 11.859 9.229 ( -9.654 -9.654 -0.000) 13.653 9.357 ( 17.308 17.308 0.000) 24.477 9.676 ( 5.858 5.858 0.000) 8.284 9.829 ( -3.174 -3.174 -0.000) 4.489 9.884 ( -5.053 -5.053 -0.000) 7.146 10.804 ( 5.160 5.160 0.000) 7.298 11.003 ( -0.534 -0.534 -0.000) 0.755 11.064 ( -4.159 -4.159 -0.000) 5.882 11.071 ( -3.663 -3.663 -0.000) 5.181 11.093 ( -4.757 -4.757 -0.000) 6.727 11.113 ( -10.762 -10.762 -0.000) 15.220 12.999 ( 4.730 4.730 0.000) 6.690 13.279 ( -8.223 -8.223 -0.000) 11.629 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.000 15.331 11.821) 19.358 1.217 ( -0.000 18.332 18.982) 26.389 1.986 ( -0.000 20.654 24.491) 32.037 2.075 ( -0.000 34.315 18.166) 38.827 3.797 ( 0.000 -7.308 -4.721) 8.701 3.908 ( 0.000 -2.585 -11.168) 11.463 4.232 ( 0.000 -5.817 -3.064) 6.575 4.308 ( -0.000 -1.899 3.054) 3.596 4.779 ( -0.000 0.909 1.148) 1.464 5.009 ( -0.000 11.254 -7.747) 13.663 5.627 ( -0.000 21.355 -6.917) 22.448 5.716 ( 0.000 1.558 -3.162) 3.525 6.003 ( -0.000 10.686 3.258) 11.172 6.071 ( -0.000 6.571 -3.493) 7.441 6.195 ( -0.000 14.987 5.212) 15.867 6.323 ( -0.000 7.593 2.222) 7.911 6.368 ( 0.000 1.485 -2.895) 3.254 6.537 ( 0.000 -9.528 -1.825) 9.701 6.643 ( -0.000 17.570 4.177) 18.060 6.880 ( -0.000 -6.846 24.525) 25.462 7.372 ( 0.000 -0.234 -9.314) 9.317 7.492 ( -0.000 -3.385 3.254) 4.696 7.758 ( -0.000 12.810 -5.015) 13.757 9.399 ( -0.000 -4.043 7.200) 8.258 9.546 ( -0.000 12.656 2.505) 12.902 9.895 ( 0.000 -7.315 -2.217) 7.644 10.276 ( 0.000 -1.061 -13.710) 13.751 10.351 ( 0.000 -11.289 3.471) 11.811 10.721 ( -0.000 5.128 2.025) 5.513 10.997 ( 0.000 -1.385 -8.939) 9.046 11.353 ( 0.000 -10.411 0.584) 10.428 11.714 ( -0.000 5.267 -0.650) 5.307 11.786 ( 0.000 -14.789 5.487) 15.774 12.431 ( 0.000 -5.742 -0.327) 5.752 13.171 ( -0.000 -2.124 6.703) 7.031 14.091 ( 0.000 -5.566 -0.627) 5.601 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.21 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 17.915 11.905 5.966) 22.322 1.662 ( 5.834 17.353 10.498) 21.104 2.551 ( 14.337 15.523 16.320) 26.700 2.703 ( 4.662 19.951 11.074) 23.289 3.574 ( -4.385 -5.553 1.202) 7.176 3.866 ( 0.516 -7.958 -7.709) 11.092 4.099 ( -2.768 -0.644 -1.044) 3.027 4.435 ( 15.453 -1.553 2.847) 15.790 4.767 ( -5.117 3.134 2.748) 6.599 5.435 ( 16.085 8.824 -7.468) 19.809 5.770 ( -3.376 2.423 -9.290) 10.177 5.857 ( 0.270 5.691 -5.109) 7.653 6.083 ( -4.688 2.425 0.751) 5.331 6.139 ( 1.505 6.226 1.489) 6.576 6.266 ( -1.426 -9.079 3.245) 9.746 6.435 ( -2.427 3.554 6.762) 8.016 6.625 ( 8.302 5.125 -5.752) 11.325 6.727 ( 1.169 7.516 3.588) 8.410 6.792 ( 8.757 9.438 -0.210) 12.876 7.024 ( 8.270 13.187 9.421) 18.194 7.599 ( 9.987 13.299 -6.001) 17.680 7.718 ( 17.682 5.735 1.745) 18.670 8.056 ( 1.050 14.490 -1.808) 14.640 9.277 ( -0.871 -6.736 2.169) 7.130 9.521 ( -3.136 -14.450 -5.799) 15.883 9.965 ( -3.848 17.247 3.520) 18.018 10.111 ( -1.103 -7.756 4.789) 9.182 10.163 ( -2.313 -6.436 -3.206) 7.553 10.788 ( -4.410 5.902 1.249) 7.473 10.944 ( 0.656 -4.066 -8.847) 9.759 11.157 ( 1.753 -9.751 1.875) 10.083 11.426 ( 1.229 -20.593 3.926) 20.999 11.774 ( -6.269 6.049 0.184) 8.713 12.229 ( -7.564 -6.227 -0.195) 9.799 13.106 ( -5.732 1.926 0.767) 6.095 13.918 ( -4.547 -6.272 -0.204) 7.750 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.21 -0.01 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 15.856 7.218 2.104) 17.548 2.114 ( 6.213 13.078 1.721) 14.581 2.860 ( -1.565 4.970 7.091) 8.800 3.320 ( 16.978 10.247 9.975) 22.198 3.429 ( 0.062 -4.046 7.810) 8.797 3.603 ( -5.297 -6.053 -1.334) 8.153 4.040 ( -4.809 0.536 -0.768) 4.899 4.625 ( -5.440 -0.170 2.263) 5.895 4.920 ( 20.164 4.286 3.208) 20.863 5.644 ( 0.027 -5.002 -12.392) 13.364 5.793 ( 10.078 -6.304 -4.908) 12.861 5.993 ( 3.396 -1.289 -1.913) 4.105 6.093 ( 2.063 -1.162 -3.839) 4.511 6.162 ( 4.465 -0.234 5.480) 7.073 6.240 ( -1.788 -4.602 9.649) 10.839 6.526 ( 12.482 11.428 -0.412) 16.928 6.662 ( 5.444 -10.416 -2.531) 12.022 7.018 ( 1.440 16.689 -8.623) 18.841 7.290 ( 13.263 12.381 3.881) 18.554 7.526 ( 14.480 7.517 4.036) 16.807 8.126 ( 10.994 8.720 -3.077) 14.366 8.353 ( 17.858 17.385 0.085) 24.923 8.385 ( 7.782 5.894 -3.328) 10.314 9.072 ( -2.526 -18.382 -4.376) 19.064 9.112 ( -0.234 -6.412 -3.220) 7.179 9.792 ( -8.906 -5.395 5.343) 11.703 9.976 ( -1.593 -6.997 5.186) 8.854 10.367 ( -8.124 20.838 2.741) 22.533 10.767 ( -3.636 -1.848 -1.943) 4.518 10.883 ( 3.194 -4.133 -6.506) 8.343 11.001 ( 1.382 -10.410 3.846) 11.184 11.075 ( 0.717 -7.565 1.308) 7.711 11.695 ( -12.961 5.123 -0.249) 13.939 11.875 ( -14.197 -5.179 0.745) 15.131 13.043 ( -5.699 4.375 -1.120) 7.272 13.657 ( -8.712 -5.287 0.154) 10.192 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.21 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 4.851 2.177 -2.015) 5.686 2.436 ( 4.955 5.425 -0.158) 7.349 2.892 ( 0.025 2.181 3.601) 4.210 3.096 ( -5.917 -9.821 0.741) 11.490 3.571 ( 2.581 6.524 8.346) 10.903 3.788 ( -5.181 0.258 10.874) 12.047 4.042 ( 7.428 8.609 0.484) 11.381 4.421 ( -10.629 -2.225 4.312) 11.684 5.432 ( 20.282 -0.765 -4.169) 20.720 5.599 ( 5.477 -1.654 -7.266) 9.248 5.776 ( 3.686 -11.728 -2.800) 12.608 5.998 ( 3.899 -7.386 3.417) 9.024 6.047 ( 6.834 -6.589 2.833) 9.907 6.093 ( 3.882 -5.067 -8.101) 10.313 6.316 ( 2.284 1.090 5.123) 5.714 6.456 ( 9.151 -17.414 6.852) 20.831 7.165 ( 4.838 14.612 -10.563) 18.668 7.393 ( 14.991 9.386 -6.968) 19.010 7.743 ( 2.165 9.543 6.410) 11.698 7.910 ( 18.240 -1.088 -0.062) 18.273 8.136 ( -5.336 -15.501 -2.145) 16.534 8.313 ( 0.517 -13.566 -0.133) 13.577 8.834 ( 6.859 -10.314 -15.899) 20.155 9.050 ( 11.069 16.765 -0.482) 20.095 9.300 ( 14.000 7.465 -0.076) 15.867 9.518 ( -8.064 -2.166 5.901) 10.225 9.798 ( -1.294 -9.225 10.172) 13.793 10.164 ( -8.919 -13.303 6.775) 17.390 10.724 ( -0.923 2.219 -6.147) 6.600 10.930 ( -0.069 -0.317 -0.675) 0.749 11.015 ( 1.570 8.795 0.527) 8.949 11.120 ( -1.735 10.418 0.560) 10.576 11.416 ( -16.347 0.866 -1.458) 16.434 11.532 ( -16.060 3.183 2.233) 16.524 13.083 ( -1.448 6.309 -3.428) 7.325 13.375 ( -10.562 -0.953 1.851) 10.765 ======================= Grid point 17 (10/90) ======================= q-point: ( 0.21 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -16.334 16.334 11.698) 25.892 0.931 ( -13.631 13.631 17.193) 25.831 1.580 ( -20.769 20.769 31.281) 42.909 1.771 ( -18.970 18.970 30.001) 40.246 3.813 ( 5.823 -5.823 -8.750) 12.016 4.023 ( -1.741 1.741 -11.142) 11.411 4.293 ( 6.339 -6.339 -1.613) 9.108 4.339 ( -7.516 7.516 -6.777) 12.606 4.763 ( 1.802 -1.802 1.369) 2.893 5.111 ( -8.456 8.456 -7.783) 14.268 5.124 ( -6.772 6.772 1.278) 9.662 5.773 ( -4.089 4.089 1.830) 6.065 5.816 ( -10.100 10.100 0.775) 14.305 5.900 ( -2.321 2.321 -0.688) 3.354 6.077 ( -5.125 5.125 -5.131) 8.880 6.277 ( -2.320 2.320 3.940) 5.127 6.403 ( -6.854 6.854 2.496) 10.009 6.430 ( -9.188 9.188 2.914) 13.316 6.646 ( 4.660 -4.660 -4.001) 7.710 6.930 ( 11.089 -11.089 29.594) 33.493 7.466 ( -2.404 2.404 -10.832) 11.353 7.516 ( -2.439 2.439 -8.276) 8.966 7.713 ( -5.733 5.733 4.489) 9.268 9.341 ( -3.031 3.031 7.479) 8.620 9.455 ( 1.217 -1.217 8.326) 8.502 9.980 ( 3.872 -3.872 -4.036) 6.802 10.240 ( -3.546 3.546 -20.307) 20.917 10.543 ( 3.015 -3.015 2.518) 4.952 10.597 ( 0.285 -0.285 2.488) 2.521 11.005 ( 0.591 -0.591 -8.608) 8.649 11.547 ( 2.103 -2.103 -0.276) 2.987 11.573 ( 0.713 -0.713 -0.350) 1.067 11.980 ( 4.180 -4.180 3.467) 6.853 12.483 ( 5.316 -5.316 -0.017) 7.518 13.193 ( 8.277 -8.277 15.274) 19.243 14.146 ( 3.532 -3.532 -1.211) 5.140 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.000 5.744 5.323) 7.831 2.042 ( -0.000 7.486 4.332) 8.650 2.721 ( -0.000 2.850 3.498) 4.512 3.172 ( -0.000 5.193 7.363) 9.010 3.627 ( 0.000 -3.052 -3.123) 4.367 3.632 ( -0.000 -1.821 13.209) 13.334 3.980 ( 0.000 0.824 -18.319) 18.338 4.456 ( -0.000 1.469 13.819) 13.897 5.072 ( -0.000 8.781 7.506) 11.552 5.234 ( 0.000 2.272 -6.946) 7.308 5.651 ( 0.000 -7.999 -8.476) 11.654 5.803 ( -0.000 7.518 -6.733) 10.092 6.120 ( 0.000 3.189 -3.878) 5.021 6.181 ( 0.000 -7.512 2.216) 7.832 6.187 ( -0.000 2.154 1.195) 2.463 6.321 ( 0.000 -9.071 -3.776) 9.825 6.743 ( -0.000 7.062 -0.549) 7.084 6.759 ( -0.000 3.595 7.695) 8.493 7.036 ( 0.000 -4.157 3.511) 5.441 7.042 ( -0.000 5.105 -0.772) 5.163 7.744 ( -0.000 10.698 -1.937) 10.872 7.928 ( -0.000 17.836 5.431) 18.644 8.344 ( -0.000 12.040 0.731) 12.062 9.038 ( 0.000 -12.673 -3.210) 13.073 9.134 ( 0.000 -13.010 -3.780) 13.548 10.037 ( 0.000 -1.425 -3.702) 3.967 10.122 ( -0.000 -3.331 10.266) 10.793 10.516 ( -0.000 23.317 -1.206) 23.348 10.634 ( 0.000 -4.312 -8.367) 9.413 10.914 ( 0.000 -7.549 3.667) 8.393 11.043 ( 0.000 -2.709 0.097) 2.711 11.082 ( 0.000 -13.003 2.387) 13.220 11.972 ( -0.000 5.371 0.290) 5.379 12.178 ( 0.000 -5.276 -0.109) 5.277 13.173 ( 0.000 0.211 -0.901) 0.925 13.879 ( 0.000 -2.592 0.238) 2.603 ======================= Grid point 19 (12/90) ======================= q-point: (-0.58 -0.02 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 13.631 -0.329 -0.999) 13.671 2.161 ( 2.175 1.450 -5.739) 6.306 3.040 ( 21.860 1.915 -0.173) 21.944 3.169 ( -2.384 -1.595 1.202) 3.110 3.443 ( -6.887 -2.913 7.970) 10.929 3.716 ( 6.240 2.034 12.448) 14.072 3.972 ( -1.531 -1.089 -16.562) 16.668 4.593 ( 9.197 -0.495 11.271) 14.556 5.144 ( -0.908 -1.376 -3.017) 3.438 5.314 ( 1.179 -1.075 3.323) 3.686 5.383 ( -2.084 -6.055 -6.051) 8.810 5.833 ( 6.752 -14.187 1.267) 15.763 5.955 ( -4.262 -4.487 3.132) 6.935 6.154 ( -0.808 0.755 2.546) 2.776 6.261 ( 4.564 -1.396 1.088) 4.895 6.353 ( 1.882 -1.145 6.739) 7.090 6.598 ( 3.973 0.230 2.428) 4.662 6.973 ( 14.665 -4.352 0.334) 15.301 7.110 ( 3.467 6.962 -8.535) 11.547 7.412 ( 9.108 9.079 -9.983) 16.280 7.861 ( 10.028 -9.239 -3.039) 13.970 8.142 ( 6.414 -6.732 -7.790) 12.131 8.340 ( -0.094 -14.430 -0.256) 14.432 8.967 ( -3.071 14.540 0.786) 14.881 9.080 ( 0.364 7.739 1.494) 7.891 9.940 ( -6.107 -1.324 -0.080) 6.249 10.103 ( 0.630 -0.633 13.189) 13.219 10.457 ( -1.241 -22.639 3.808) 22.991 10.628 ( 1.099 2.526 -6.393) 6.961 10.944 ( -3.570 6.343 -3.573) 8.108 11.031 ( -0.329 4.100 1.209) 4.288 11.113 ( 0.680 16.380 -0.444) 16.400 11.913 ( -6.701 -4.612 -0.766) 8.170 12.089 ( -7.076 4.163 1.422) 8.332 13.162 ( -3.668 2.802 -3.864) 6.019 13.799 ( -5.957 1.122 1.885) 6.348 ======================= Grid point 20 (13/90) ======================= q-point: (-0.58 -0.02 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 13.318 -3.297 -7.297) 15.540 2.191 ( 5.517 -6.195 -10.142) 13.103 2.930 ( -4.995 -5.706 -1.150) 7.670 3.355 ( -5.023 4.737 13.298) 14.983 3.582 ( 18.180 0.941 -3.946) 18.627 3.821 ( 3.186 -7.675 -8.490) 11.880 4.050 ( 10.239 7.266 4.808) 13.444 4.562 ( -6.024 -8.512 5.823) 11.944 5.012 ( 6.651 -13.707 -7.978) 17.197 5.249 ( 3.177 -1.586 7.940) 8.697 5.485 ( 16.218 -5.480 6.075) 18.165 5.701 ( 7.235 -10.659 7.107) 14.713 5.839 ( -0.301 -2.321 2.997) 3.803 5.947 ( -3.515 -12.512 10.841) 16.924 6.286 ( 1.728 -0.432 -0.066) 1.782 6.380 ( 1.671 1.042 1.973) 2.788 6.978 ( 15.099 6.516 -6.170) 17.565 7.151 ( 11.335 -6.308 -6.437) 14.482 7.329 ( 6.156 2.173 -14.776) 16.154 7.529 ( 6.787 -12.159 -4.467) 14.623 7.755 ( 8.060 -19.366 -1.192) 21.010 7.965 ( 7.067 -19.373 -10.961) 23.354 8.249 ( 10.668 -0.812 0.999) 10.745 9.275 ( -0.763 9.698 0.728) 9.755 9.362 ( 2.461 17.837 -0.017) 18.006 9.764 ( -8.375 0.325 3.229) 8.981 9.845 ( -8.376 -15.028 4.934) 17.898 10.224 ( 2.646 -1.860 16.769) 17.078 10.715 ( -0.049 3.268 -4.771) 5.783 10.857 ( -2.520 -2.473 -5.662) 6.673 11.212 ( 2.391 10.392 0.910) 10.702 11.476 ( -6.495 9.333 0.422) 11.378 11.681 ( -6.758 6.363 -2.688) 9.663 11.968 ( -14.282 5.390 0.851) 15.289 13.152 ( -4.908 4.829 -6.964) 9.793 13.704 ( -8.622 5.366 3.736) 10.821 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.42 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -9.026 15.116 8.613) 19.600 1.883 ( -10.932 3.802 12.086) 16.734 2.881 ( -8.374 13.813 16.098) 22.805 2.935 ( -11.815 4.991 10.172) 16.370 3.622 ( -2.798 -1.111 4.818) 5.681 3.681 ( 4.347 -1.474 -11.352) 12.245 4.035 ( 4.416 2.601 -5.842) 7.772 4.532 ( -2.856 9.015 6.474) 11.460 4.844 ( -7.213 -4.103 5.121) 9.751 5.258 ( -11.157 15.012 -9.908) 21.165 5.552 ( -2.128 -5.579 -12.794) 14.119 5.742 ( -5.902 3.092 -7.852) 10.298 6.011 ( 0.189 -6.230 -5.528) 8.331 6.206 ( -0.206 1.481 3.430) 3.742 6.263 ( -5.078 -1.537 -8.255) 9.813 6.370 ( -6.593 -0.560 -3.371) 7.426 6.628 ( 1.515 9.981 2.869) 10.495 6.778 ( -10.581 15.260 0.894) 18.591 7.001 ( 6.891 -4.747 18.187) 20.020 7.225 ( -9.285 6.228 12.209) 16.554 7.501 ( -17.223 9.467 -2.555) 19.818 7.759 ( -10.067 12.159 2.833) 16.038 8.036 ( -12.930 3.250 0.211) 13.334 9.320 ( 12.660 -1.079 2.177) 12.891 9.406 ( 13.560 -2.214 -5.949) 14.973 9.996 ( -1.544 -5.913 -3.368) 6.978 10.029 ( -14.702 -3.573 -3.138) 15.452 10.271 ( 6.322 2.959 5.184) 8.694 10.745 ( 3.033 0.832 -10.057) 10.538 10.841 ( -4.200 -3.826 3.952) 6.921 11.176 ( 9.104 1.660 0.169) 9.255 11.505 ( 20.324 -0.344 3.811) 20.681 11.784 ( -5.391 -5.727 0.980) 7.926 12.219 ( 5.745 -7.693 -0.915) 9.645 13.147 ( 2.517 -4.561 3.774) 6.432 13.904 ( 5.210 -5.219 -1.523) 7.530 ======================= Grid point 25 (15/90) ======================= q-point: ( 0.42 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -10.446 10.446 12.508) 19.357 1.757 ( -12.916 12.916 10.433) 21.036 2.685 ( -7.040 7.040 15.570) 18.481 3.119 ( -18.723 18.723 25.521) 36.775 3.553 ( -0.872 0.872 -0.099) 1.237 3.716 ( 4.338 -4.338 -13.578) 14.900 4.154 ( 0.030 -0.030 -0.774) 0.775 4.607 ( -8.586 8.586 -9.426) 15.372 4.694 ( -0.466 0.466 3.554) 3.614 5.351 ( -4.353 4.353 -6.924) 9.265 5.407 ( -15.726 15.726 -11.695) 25.128 5.822 ( -3.902 3.902 -7.686) 9.462 5.901 ( -4.974 4.974 -8.186) 10.794 5.983 ( 3.214 -3.214 -9.421) 10.460 6.227 ( -0.737 0.737 5.053) 5.160 6.394 ( 0.742 -0.742 1.124) 1.538 6.778 ( -10.201 10.201 9.394) 17.216 6.853 ( -11.945 11.945 1.065) 16.927 7.063 ( 6.254 -6.254 22.908) 24.556 7.095 ( -14.903 14.903 8.659) 22.785 7.527 ( -10.947 10.947 -4.601) 16.150 7.568 ( -8.064 8.064 -6.995) 13.378 8.128 ( -9.800 9.800 2.763) 14.132 9.443 ( 6.203 -6.203 2.126) 9.026 9.567 ( -2.023 2.023 1.303) 3.143 9.718 ( 4.240 -4.240 -1.451) 6.169 9.935 ( 3.736 -3.736 -9.272) 10.672 10.438 ( 3.194 -3.194 0.114) 4.518 10.678 ( -0.598 0.598 6.049) 6.107 10.796 ( 0.347 -0.347 -9.126) 9.139 11.416 ( 3.716 -3.716 -0.610) 5.290 11.509 ( 2.599 -2.599 -0.290) 3.687 11.820 ( 7.529 -7.529 4.964) 11.748 12.146 ( 10.325 -10.325 -0.978) 14.634 13.118 ( 5.390 -5.390 7.529) 10.714 13.898 ( 6.563 -6.563 -2.647) 9.652 ======================= Grid point 27 (16/90) ======================= q-point: (-0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 -10.259 -10.015) 14.337 1.845 ( 0.000 -11.352 -13.292) 17.480 2.640 ( 0.000 -5.601 -11.955) 13.202 2.958 ( 0.000 -15.991 -15.330) 22.152 3.650 ( 0.000 0.163 -1.063) 1.076 3.672 ( -0.000 0.898 8.649) 8.696 4.012 ( -0.000 4.638 9.840) 10.878 4.426 ( 0.000 -1.662 -10.270) 10.404 4.906 ( 0.000 -6.433 -6.034) 8.820 5.079 ( 0.000 -13.139 10.464) 16.797 5.635 ( -0.000 -5.344 10.394) 11.687 5.708 ( -0.000 -4.867 11.894) 12.851 6.096 ( -0.000 0.747 6.325) 6.369 6.172 ( 0.000 -0.439 -4.025) 4.048 6.290 ( -0.000 -1.124 7.405) 7.490 6.412 ( 0.000 -2.052 1.350) 2.456 6.482 ( 0.000 -9.549 0.362) 9.556 6.592 ( 0.000 -6.532 -1.236) 6.648 7.075 ( 0.000 -5.214 -9.128) 10.512 7.148 ( 0.000 8.155 -20.823) 22.363 7.401 ( 0.000 -17.186 1.954) 17.296 7.594 ( 0.000 -9.528 -6.665) 11.628 8.020 ( 0.000 -16.706 0.499) 16.713 9.333 ( -0.000 13.200 -1.988) 13.349 9.431 ( -0.000 13.063 6.441) 14.564 10.057 ( -0.000 -2.947 3.191) 4.343 10.068 ( 0.000 -15.264 3.468) 15.653 10.236 ( -0.000 7.598 -5.174) 9.193 10.736 ( -0.000 3.999 10.220) 10.974 10.884 ( 0.000 -4.434 -3.770) 5.821 11.157 ( -0.000 8.360 -0.073) 8.361 11.507 ( -0.000 21.004 -4.771) 21.539 11.844 ( 0.000 -6.200 -0.633) 6.233 12.298 ( -0.000 5.860 0.897) 5.928 13.199 ( 0.000 2.994 -3.139) 4.337 13.960 ( -0.000 4.921 1.189) 5.063 ======================= Grid point 28 (17/90) ======================= q-point: (-0.37 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 17.167 -9.031 -13.001) 23.351 1.612 ( 4.273 -15.661 -15.744) 22.614 2.578 ( 3.186 -16.988 -25.611) 30.898 2.693 ( 19.349 -14.058 -23.486) 33.520 3.576 ( -2.904 -0.992 6.335) 7.040 3.750 ( 1.793 2.035 14.484) 14.736 4.136 ( 0.217 4.802 3.347) 5.857 4.406 ( 7.382 -10.679 4.492) 13.737 4.754 ( -3.166 -0.740 -0.661) 3.318 5.025 ( 15.919 -7.619 9.640) 20.110 5.388 ( -4.053 -14.803 9.524) 18.063 5.670 ( 6.368 -0.316 9.302) 11.277 5.908 ( -2.238 -11.465 8.147) 14.242 6.095 ( -4.526 -0.343 0.475) 4.564 6.213 ( -0.502 -1.611 -2.754) 3.230 6.390 ( 1.899 0.606 -0.689) 2.109 6.561 ( 9.122 -5.974 -7.333) 13.141 6.580 ( 11.452 -8.119 -0.789) 14.060 6.854 ( 7.840 -17.762 -9.457) 21.596 7.198 ( -5.664 5.173 -17.362) 18.981 7.290 ( 7.975 -1.991 4.521) 9.381 7.556 ( -1.630 -9.954 2.605) 10.418 7.883 ( 12.259 -2.957 -5.488) 13.753 9.518 ( -1.785 5.173 -6.346) 8.379 9.556 ( -1.569 -0.484 0.429) 1.697 9.808 ( -2.632 0.220 3.341) 4.259 10.009 ( -2.712 -1.001 9.635) 10.059 10.439 ( 1.636 8.516 -0.267) 8.676 10.727 ( -3.645 -3.951 -2.085) 5.766 10.798 ( 0.162 0.065 7.410) 7.412 11.383 ( 2.424 9.803 0.362) 10.105 11.640 ( -5.578 -4.645 0.782) 7.301 11.896 ( -1.226 12.738 -5.800) 14.050 12.344 ( -7.192 6.524 0.899) 9.752 13.245 ( -5.916 7.176 -8.440) 12.558 14.016 ( -4.478 5.327 2.319) 7.335 ======================= Grid point 31 (18/90) ======================= q-point: (-0.37 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 5.276 13.800 -4.116) 15.337 2.070 ( 7.003 2.842 -3.866) 8.489 2.985 ( 3.324 21.688 -6.309) 22.830 3.123 ( 5.691 -3.237 -5.532) 8.571 3.559 ( -6.655 -4.760 2.199) 8.472 3.676 ( 1.735 2.023 -10.199) 10.542 3.985 ( -0.564 0.687 13.097) 13.127 4.578 ( 1.732 9.869 -11.452) 15.217 5.022 ( 9.232 -3.392 -7.712) 12.499 5.358 ( -0.587 9.852 6.821) 11.997 5.515 ( -5.641 -7.039 11.493) 14.610 5.903 ( 7.363 5.065 5.122) 10.301 6.009 ( -0.182 -5.635 3.342) 6.554 6.164 ( -4.347 0.517 -1.474) 4.619 6.275 ( 3.442 5.948 0.166) 6.874 6.427 ( -9.728 7.287 1.469) 12.243 6.646 ( 2.805 -4.140 -3.298) 5.991 6.894 ( 1.279 -0.495 -5.047) 5.230 7.021 ( 10.356 13.848 2.074) 17.416 7.287 ( -0.332 14.353 -3.625) 14.808 7.846 ( 11.449 9.342 1.595) 14.863 8.037 ( 14.412 10.504 -3.571) 18.188 8.333 ( 12.814 -0.817 -0.320) 12.844 9.013 ( -15.215 -2.114 3.789) 15.821 9.118 ( -11.084 -1.430 2.534) 11.460 9.969 ( -1.543 -6.276 3.066) 7.153 10.137 ( -2.958 1.103 -9.348) 9.867 10.493 ( 21.931 -2.414 0.710) 22.075 10.662 ( -2.569 2.431 8.565) 9.267 10.871 ( -7.202 -3.820 -3.488) 8.867 11.039 ( -4.180 -0.237 -0.434) 4.209 11.090 ( -12.717 0.703 -2.048) 12.900 11.902 ( 5.037 -6.756 -0.317) 8.433 12.104 ( -4.973 -7.180 0.130) 8.736 13.128 ( 0.476 -3.979 0.421) 4.029 13.817 ( -2.779 -5.768 -0.001) 6.403 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.63 -0.03 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -0.448 13.929 1.790) 14.051 2.236 ( 1.284 5.310 4.817) 7.283 3.052 ( -2.866 -5.902 -1.422) 6.713 3.292 ( -1.214 -7.204 -6.451) 9.747 3.550 ( 1.939 17.685 -1.588) 17.862 3.874 ( 7.278 11.292 -9.325) 16.353 3.936 ( -2.948 -1.606 8.105) 8.773 4.684 ( -2.913 -4.393 -4.745) 7.092 5.152 ( 1.776 4.554 -6.449) 8.092 5.321 ( -6.085 6.677 7.359) 11.652 5.527 ( -2.544 8.758 3.690) 9.838 5.917 ( -4.401 1.732 0.367) 4.744 5.953 ( -5.731 3.748 -0.709) 6.884 6.164 ( -10.721 0.754 -7.536) 13.126 6.362 ( -1.683 3.985 -5.002) 6.613 6.395 ( -7.463 5.239 -6.170) 11.009 6.774 ( 12.051 11.461 6.434) 17.831 7.064 ( 8.713 1.030 12.304) 15.112 7.432 ( -5.634 20.531 1.505) 21.343 7.652 ( 0.937 12.556 2.482) 12.833 8.119 ( -12.657 11.869 4.191) 17.850 8.226 ( -0.456 1.022 -2.498) 2.737 8.434 ( -21.174 9.539 6.027) 23.993 8.924 ( 21.589 0.691 -1.456) 21.649 9.104 ( 6.042 3.050 0.222) 6.772 9.768 ( -0.692 -10.008 -0.325) 10.037 10.089 ( -5.055 -2.708 -11.042) 12.442 10.412 ( -17.363 -3.361 -4.812) 18.328 10.646 ( 2.520 0.312 3.958) 4.702 10.866 ( 5.473 -2.865 4.994) 7.944 11.030 ( 6.003 0.414 -1.592) 6.225 11.129 ( 13.568 0.608 0.513) 13.592 11.708 ( -2.951 -12.926 0.817) 13.284 11.874 ( 3.232 -13.345 -1.123) 13.777 13.074 ( 2.813 -4.176 3.584) 6.180 13.630 ( 1.374 -9.903 -1.837) 10.165 ======================= Grid point 33 (20/90) ======================= q-point: ( 0.63 -0.03 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -5.012 5.012 4.997) 8.672 2.347 ( -6.745 6.745 7.258) 11.986 2.874 ( -0.453 0.453 1.601) 1.725 3.241 ( 5.847 -5.847 -11.568) 14.219 3.732 ( -0.542 0.542 4.804) 4.865 3.869 ( -1.269 1.269 -5.090) 5.397 4.308 ( -3.837 3.837 8.674) 10.232 4.395 ( 2.517 -2.517 -11.788) 12.314 5.223 ( -11.999 11.999 6.950) 18.337 5.340 ( -5.889 5.889 -1.011) 8.389 5.708 ( -0.891 0.891 -9.370) 9.454 5.879 ( -7.096 7.096 -5.744) 11.563 5.913 ( -5.197 5.197 -1.271) 7.459 5.955 ( -10.023 10.023 -3.790) 14.672 6.355 ( -6.095 6.095 -4.512) 9.730 6.410 ( -1.219 1.219 -3.772) 4.148 7.105 ( 5.611 -5.611 15.541) 17.450 7.341 ( -8.734 8.734 10.247) 16.049 7.446 ( -7.652 7.652 8.750) 13.917 7.783 ( -11.441 11.441 3.349) 16.523 7.936 ( -13.567 13.567 -4.490) 19.705 8.239 ( -16.643 16.643 8.014) 24.864 8.357 ( 1.032 -1.032 -6.420) 6.584 9.264 ( 0.376 -0.376 5.306) 5.332 9.412 ( 8.624 -8.624 -0.129) 12.197 9.591 ( -0.037 0.037 -1.546) 1.547 9.741 ( -1.928 1.928 -8.192) 8.634 10.261 ( -1.122 1.122 -13.611) 13.704 10.687 ( 2.124 -2.124 2.338) 3.806 10.846 ( -1.005 1.005 6.087) 6.251 11.229 ( 4.553 -4.553 -0.625) 6.469 11.296 ( 7.281 -7.281 -1.043) 10.350 11.529 ( 10.065 -10.065 2.502) 14.452 11.671 ( 10.453 -10.453 -0.687) 14.799 13.066 ( 3.152 -3.152 6.166) 7.609 13.526 ( 7.909 -7.909 -3.694) 11.779 ======================= Grid point 36 (21/90) ======================= q-point: (-0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 -12.240 -18.162) 21.901 0.829 ( 0.000 -20.645 -19.701) 28.537 1.373 ( 0.000 -28.796 -37.864) 47.570 1.544 ( 0.000 -19.992 -32.766) 38.384 3.921 ( -0.000 4.192 9.507) 10.390 3.946 ( -0.000 1.316 12.274) 12.344 4.250 ( -0.000 -6.450 6.551) 9.193 4.384 ( -0.000 8.186 2.396) 8.529 4.788 ( -0.000 1.637 -1.429) 2.173 4.900 ( -0.000 0.828 3.421) 3.520 5.179 ( 0.000 -19.374 4.912) 19.987 5.666 ( 0.000 -11.582 -8.427) 14.324 5.713 ( 0.000 -3.559 -4.769) 5.950 5.948 ( -0.000 -5.016 9.489) 10.733 5.976 ( 0.000 -8.452 4.237) 9.455 6.258 ( 0.000 -0.472 -6.665) 6.682 6.323 ( 0.000 -3.427 -2.703) 4.365 6.333 ( 0.000 -10.239 -2.760) 10.605 6.697 ( -0.000 5.507 5.077) 7.490 7.126 ( 0.000 18.629 -28.918) 34.399 7.403 ( -0.000 1.642 10.390) 10.518 7.550 ( -0.000 -6.572 5.940) 8.858 7.563 ( 0.000 2.780 -4.049) 4.912 9.346 ( 0.000 -4.676 -8.539) 9.735 9.461 ( 0.000 1.967 -9.020) 9.232 10.019 ( -0.000 3.881 4.605) 6.023 10.156 ( -0.000 -16.660 24.106) 29.303 10.538 ( -0.000 6.372 -2.585) 6.876 10.636 ( 0.000 -2.891 -2.447) 3.788 11.013 ( -0.000 0.357 9.228) 9.235 11.528 ( -0.000 6.039 0.123) 6.040 11.622 ( 0.000 -3.112 0.431) 3.142 12.011 ( -0.000 6.445 -4.143) 7.662 12.541 ( -0.000 4.483 0.159) 4.486 13.332 ( 0.000 16.085 -17.336) 23.649 14.185 ( -0.000 3.287 1.098) 3.466 ======================= Grid point 38 (22/90) ======================= q-point: (-0.16 -0.04 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 12.841 19.453 -8.615) 24.850 1.308 ( 16.906 9.030 -15.718) 24.787 2.134 ( 27.152 9.143 -18.717) 34.222 2.213 ( 23.016 16.543 -22.960) 36.477 3.692 ( -5.851 -6.372 4.542) 9.771 3.992 ( -4.204 2.255 10.358) 11.404 4.168 ( -5.271 -2.319 0.438) 5.775 4.459 ( 1.477 11.931 1.044) 12.067 4.735 ( -0.198 -3.410 -0.868) 3.524 5.192 ( 10.532 15.351 6.824) 19.828 5.535 ( 19.843 -5.329 5.784) 21.345 5.788 ( 0.324 5.982 2.749) 6.592 5.973 ( 5.911 -4.992 -0.382) 7.746 6.061 ( 4.376 4.469 -1.752) 6.496 6.234 ( 12.715 -1.318 4.508) 13.555 6.374 ( 5.727 7.006 -0.631) 9.071 6.508 ( -3.574 0.512 0.287) 3.622 6.563 ( 7.313 12.910 -1.877) 14.956 6.721 ( 12.830 5.731 -5.875) 15.230 6.765 ( -1.940 -6.170 -21.691) 22.635 7.458 ( 0.576 8.022 9.581) 12.509 7.652 ( 5.259 6.505 4.621) 9.556 7.807 ( 7.130 8.839 -1.984) 11.528 9.385 ( -3.525 -0.383 -6.601) 7.493 9.528 ( 11.480 -1.638 -2.475) 11.857 9.857 ( -7.308 -3.691 1.831) 8.390 10.232 ( -3.582 -4.400 11.509) 12.831 10.376 ( -10.850 1.923 -3.307) 11.504 10.668 ( 5.214 -4.581 -2.102) 7.252 10.990 ( -1.094 -0.491 8.299) 8.385 11.382 ( -10.528 2.673 -0.343) 10.867 11.652 ( 5.003 -5.900 0.475) 7.750 11.795 ( -13.690 0.079 -4.364) 14.369 12.356 ( -6.195 -7.180 0.382) 9.491 13.096 ( -1.386 -5.771 -6.726) 8.970 14.047 ( -5.795 -4.017 0.971) 7.118 ======================= Grid point 39 (23/90) ======================= q-point: (-0.16 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 13.691 13.463 -5.198) 19.892 1.851 ( 11.181 13.081 -6.552) 18.413 2.695 ( 11.660 3.577 -7.236) 14.181 3.019 ( 17.241 19.683 -18.867) 32.259 3.492 ( -2.938 -3.168 -4.342) 6.126 3.792 ( -8.795 -6.922 8.423) 14.008 4.060 ( -3.138 -2.383 -3.120) 5.026 4.628 ( -0.463 -6.279 -1.655) 6.510 4.850 ( 2.678 21.662 1.177) 21.858 5.660 ( 5.427 1.054 11.794) 13.025 5.876 ( -0.313 3.492 1.958) 4.015 5.906 ( 11.416 14.700 9.269) 20.793 6.052 ( 0.407 4.252 6.281) 7.596 6.172 ( 2.569 3.113 -4.379) 5.955 6.264 ( -0.959 0.525 -6.675) 6.764 6.373 ( 2.185 -3.099 -6.194) 7.262 6.613 ( 11.421 -2.815 -1.412) 11.848 6.870 ( 1.095 9.317 2.390) 9.680 7.069 ( 9.023 12.591 -0.766) 15.509 7.253 ( 16.520 13.626 -7.982) 22.854 7.868 ( 13.277 14.992 5.790) 20.846 8.011 ( 15.659 7.562 5.915) 18.368 8.232 ( 7.174 17.803 -3.498) 19.510 9.273 ( -7.498 0.002 0.551) 7.518 9.446 ( -15.522 -2.363 2.955) 15.976 9.828 ( 11.058 -10.104 0.006) 14.979 9.984 ( 0.784 -7.332 0.379) 7.384 10.186 ( -9.709 0.977 -6.687) 11.830 10.683 ( 5.817 -4.503 -1.645) 7.537 10.962 ( -1.985 0.885 7.967) 8.259 11.208 ( -11.751 3.062 -1.066) 12.190 11.440 ( -18.221 -0.517 -2.158) 18.356 11.588 ( 4.290 -11.177 -1.030) 12.017 11.993 ( -6.309 -14.994 0.297) 16.270 12.982 ( 1.308 -5.219 -1.824) 5.681 13.790 ( -7.136 -7.554 0.966) 10.437 ======================= Grid point 40 (24/90) ======================= q-point: (-0.16 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 5.556 7.310 -2.221) 9.446 2.271 ( 9.502 8.138 -2.540) 12.766 2.839 ( 2.787 0.180 -1.254) 3.061 3.340 ( -12.230 -6.982 1.219) 14.135 3.477 ( 2.137 -1.127 -7.333) 7.721 3.672 ( 10.542 9.081 -17.759) 22.560 3.955 ( 0.088 -2.099 0.129) 2.105 4.456 ( -1.750 -8.236 -2.878) 8.898 5.392 ( 4.596 19.972 3.352) 20.766 5.634 ( -2.410 -0.321 11.192) 11.453 5.948 ( -3.230 6.259 0.792) 7.087 6.086 ( -3.533 0.174 -2.521) 4.344 6.144 ( -3.616 3.742 -0.055) 5.204 6.214 ( -5.241 4.084 6.467) 9.272 6.277 ( 2.460 4.419 -5.747) 7.656 6.689 ( 9.863 -1.145 8.995) 13.398 6.912 ( -2.423 18.390 -4.378) 19.058 7.138 ( 15.274 13.436 4.588) 20.853 7.451 ( 13.954 0.991 -7.035) 15.659 7.824 ( 9.462 13.884 -2.828) 17.039 8.302 ( 2.599 6.590 2.969) 7.681 8.557 ( -0.547 5.156 5.694) 7.701 8.648 ( 7.868 5.954 5.269) 11.186 9.101 ( 0.685 9.658 -4.004) 10.477 9.219 ( -11.855 8.158 7.805) 16.371 9.583 ( -3.065 -6.604 -3.935) 8.276 9.940 ( -3.810 -3.146 -6.060) 7.819 10.166 ( 11.136 -10.588 -5.040) 16.172 10.727 ( 1.730 0.415 1.094) 2.089 10.935 ( -3.210 1.386 6.826) 7.669 11.037 ( -8.373 1.468 -1.889) 8.708 11.089 ( -10.783 0.919 -2.134) 11.031 11.380 ( 3.181 -16.824 0.495) 17.129 11.529 ( -2.679 -18.258 -1.936) 18.555 12.964 ( 4.442 -1.340 0.069) 4.640 13.460 ( -6.563 -9.881 0.738) 11.885 ======================= Grid point 41 (25/90) ======================= q-point: (-0.16 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -1.448 1.448 -0.570) 2.126 2.463 ( 2.370 -2.370 -3.613) 4.929 2.957 ( -1.638 1.638 1.997) 3.058 2.989 ( -0.012 0.012 -0.051) 0.054 3.626 ( 1.330 -1.330 -10.593) 10.759 3.650 ( 2.197 -2.197 -8.807) 9.339 4.159 ( 0.143 -0.143 -3.246) 3.252 4.235 ( 3.565 -3.565 -4.466) 6.736 5.640 ( -2.857 2.857 5.557) 6.870 5.683 ( -0.382 0.382 5.408) 5.435 5.911 ( -7.930 7.930 -2.396) 11.467 6.049 ( -0.710 0.710 -8.156) 8.218 6.160 ( -4.201 4.201 7.823) 9.823 6.208 ( -4.904 4.904 13.015) 14.748 6.396 ( -5.804 5.804 -3.069) 8.763 6.639 ( -5.683 5.683 -1.496) 8.176 7.145 ( -0.246 0.246 4.015) 4.031 7.569 ( 9.902 -9.902 -12.074) 18.490 7.911 ( -6.512 6.512 6.971) 11.550 7.954 ( -3.744 3.744 4.945) 7.245 8.230 ( -3.142 3.142 1.729) 4.769 8.272 ( -2.971 2.971 -1.028) 4.326 8.938 ( -2.331 2.331 10.066) 10.592 9.090 ( 6.811 -6.811 3.076) 10.112 9.493 ( -12.208 12.208 -2.273) 17.414 9.680 ( -5.476 5.476 -10.739) 13.240 9.772 ( -3.109 3.109 1.862) 4.775 9.990 ( 6.355 -6.355 -7.987) 12.024 10.744 ( -3.225 3.225 5.668) 7.275 10.939 ( 0.144 -0.144 1.440) 1.454 11.026 ( 3.216 -3.216 0.308) 4.559 11.036 ( 3.249 -3.249 -0.532) 4.625 11.136 ( 7.507 -7.507 -1.142) 10.677 11.256 ( 8.375 -8.375 -3.409) 12.325 13.090 ( 0.187 -0.187 3.175) 3.186 13.188 ( 4.691 -4.691 -1.714) 6.852 ======================= Grid point 46 (26/90) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -0.000 19.064 0.000) 19.064 0.493 ( -0.000 23.855 0.000) 23.855 1.004 ( -0.000 46.954 0.000) 46.954 1.157 ( -0.000 26.033 0.000) 26.033 4.012 ( 0.000 -6.235 -0.000) 6.235 4.075 ( 0.000 -0.573 -0.000) 0.573 4.305 ( -0.000 1.916 0.000) 1.916 4.407 ( 0.000 -8.092 -0.000) 8.092 4.757 ( 0.000 -0.058 -0.000) 0.058 4.927 ( -0.000 0.589 0.000) 0.589 5.227 ( -0.000 19.426 0.000) 19.426 5.573 ( -0.000 18.497 0.000) 18.497 5.672 ( -0.000 3.120 0.000) 3.120 6.072 ( -0.000 1.744 0.000) 1.744 6.108 ( -0.000 6.680 0.000) 6.680 6.113 ( 0.000 -1.353 -0.000) 1.353 6.308 ( -0.000 10.074 0.000) 10.074 6.404 ( -0.000 3.635 0.000) 3.635 6.493 ( 0.000 -1.152 -0.000) 1.152 6.752 ( 0.000 -5.680 -0.000) 5.680 7.497 ( 0.000 -1.961 -0.000) 1.961 7.543 ( 0.000 -2.360 -0.000) 2.360 7.633 ( -0.000 6.206 0.000) 6.206 9.249 ( -0.000 8.659 0.000) 8.659 9.364 ( 0.000 -1.514 -0.000) 1.514 10.063 ( 0.000 -4.281 -0.000) 4.281 10.513 ( 0.000 -6.521 -0.000) 6.521 10.582 ( 0.000 -5.703 -0.000) 5.703 10.614 ( -0.000 3.041 0.000) 3.041 11.101 ( 0.000 -0.481 -0.000) 0.481 11.529 ( 0.000 -6.253 -0.000) 6.253 11.631 ( -0.000 3.330 0.000) 3.330 11.957 ( 0.000 -7.514 -0.000) 7.514 12.541 ( 0.000 -4.375 -0.000) 4.375 13.017 ( -0.000 3.454 0.000) 3.454 14.195 ( 0.000 -3.446 -0.000) 3.446 ======================= Grid point 47 (27/90) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 10.113 21.126 0.000) 23.422 1.109 ( 23.857 12.997 0.000) 27.168 1.916 ( 16.632 25.052 0.000) 30.070 1.998 ( 10.406 33.543 0.000) 35.120 3.733 ( -7.462 -8.260 -0.000) 11.131 4.105 ( 3.092 -4.889 -0.000) 5.785 4.166 ( -5.089 -5.494 -0.000) 7.489 4.462 ( 15.344 -2.235 0.000) 15.506 4.725 ( -3.571 0.135 -0.000) 3.574 5.261 ( 13.922 13.605 0.000) 19.466 5.595 ( -4.148 22.433 0.000) 22.813 5.800 ( 5.265 2.055 0.000) 5.652 5.958 ( -6.800 3.014 -0.000) 7.438 6.060 ( 6.481 0.794 0.000) 6.530 6.322 ( 10.405 20.643 0.000) 23.117 6.369 ( 0.024 -0.434 -0.000) 0.435 6.417 ( -3.531 4.522 -0.000) 5.737 6.534 ( -4.630 -5.300 -0.000) 7.038 6.570 ( 12.301 6.771 0.000) 14.042 6.681 ( 6.937 14.970 0.000) 16.499 7.569 ( 7.707 -0.693 0.000) 7.739 7.682 ( 17.382 -0.511 0.000) 17.389 7.804 ( -1.132 11.830 0.000) 11.884 9.313 ( 0.352 -2.334 -0.000) 2.361 9.498 ( -1.473 16.018 0.000) 16.085 9.874 ( -4.068 -10.155 -0.000) 10.939 10.326 ( -1.680 -11.774 -0.000) 11.893 10.376 ( -3.213 -8.426 -0.000) 9.017 10.651 ( -4.679 5.486 -0.000) 7.210 11.071 ( -0.956 -0.761 -0.000) 1.222 11.377 ( 2.957 -11.249 -0.000) 11.631 11.657 ( -6.123 5.083 -0.000) 7.957 11.750 ( 1.014 -14.186 -0.000) 14.222 12.360 ( -7.138 -6.043 -0.000) 9.352 13.023 ( -5.262 3.354 -0.000) 6.240 14.056 ( -3.742 -6.069 -0.000) 7.130 ======================= Grid point 48 (28/90) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 10.996 17.936 0.000) 21.038 1.787 ( 17.347 10.282 0.000) 20.166 2.617 ( 7.683 12.730 0.000) 14.869 2.823 ( 17.618 20.370 0.000) 26.932 3.448 ( -5.180 -5.475 -0.000) 7.537 3.892 ( -6.657 -12.232 -0.000) 13.926 4.010 ( -4.737 0.031 -0.000) 4.737 4.611 ( -6.383 -1.013 -0.000) 6.463 4.867 ( 24.607 0.733 0.000) 24.618 5.831 ( 5.013 10.586 0.000) 11.713 5.872 ( 1.215 2.253 0.000) 2.559 6.055 ( 21.199 12.529 0.000) 24.625 6.059 ( 4.634 3.512 0.000) 5.815 6.112 ( -4.662 -8.985 -0.000) 10.123 6.182 ( 2.721 1.820 0.000) 3.274 6.245 ( -3.660 -4.883 -0.000) 6.102 6.647 ( -3.288 21.688 0.000) 21.935 6.929 ( 6.394 -2.848 0.000) 7.000 7.067 ( 12.176 7.596 0.000) 14.351 7.150 ( 16.007 20.707 0.000) 26.172 7.933 ( 13.642 11.711 0.000) 17.979 8.122 ( 6.155 16.369 0.000) 17.488 8.143 ( 20.787 5.898 0.000) 21.607 9.283 ( 4.706 -4.746 0.000) 6.684 9.475 ( -7.408 -16.460 -0.000) 18.050 9.845 ( -4.436 21.976 0.000) 22.419 9.944 ( -10.228 -11.454 -0.000) 15.356 10.135 ( -1.718 -10.849 -0.000) 10.984 10.671 ( -4.692 6.577 0.000) 8.079 11.044 ( 0.036 -1.117 -0.000) 1.117 11.192 ( 4.031 -13.305 -0.000) 13.902 11.415 ( 0.489 -19.112 -0.000) 19.118 11.580 ( -11.901 5.418 -0.000) 13.076 11.995 ( -15.047 -6.689 -0.000) 16.467 12.966 ( -5.499 2.832 -0.000) 6.185 13.799 ( -7.220 -7.473 -0.000) 10.391 ======================= Grid point 49 (29/90) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 7.923 6.715 0.000) 10.386 2.231 ( 6.229 11.154 0.000) 12.776 2.831 ( 3.211 1.531 0.000) 3.557 3.313 ( -0.969 -5.871 -0.000) 5.950 3.442 ( -9.529 -6.104 -0.000) 11.316 3.476 ( 8.857 11.870 0.000) 14.810 3.955 ( -1.916 2.818 0.000) 3.407 4.427 ( -7.760 -2.770 -0.000) 8.240 5.436 ( 21.948 4.670 0.000) 22.439 5.795 ( -2.909 -5.455 -0.000) 6.183 5.951 ( 1.759 -0.944 0.000) 1.996 5.993 ( -4.207 -6.450 -0.000) 7.700 6.108 ( 14.980 -2.493 0.000) 15.186 6.232 ( 3.349 1.364 0.000) 3.616 6.314 ( 6.407 -1.620 0.000) 6.609 6.813 ( 5.643 -17.769 -0.000) 18.643 6.837 ( 10.946 23.582 0.000) 25.998 7.208 ( 12.348 22.245 0.000) 25.442 7.364 ( -0.372 7.534 0.000) 7.543 7.794 ( 15.028 10.861 0.000) 18.542 8.332 ( 6.310 2.891 0.000) 6.941 8.627 ( 4.686 -4.817 0.000) 6.721 8.698 ( 11.119 12.950 0.000) 17.069 9.056 ( 5.279 -0.184 0.000) 5.282 9.355 ( 15.640 -7.880 0.000) 17.513 9.486 ( -13.049 -7.626 -0.000) 15.114 9.876 ( -1.970 -9.004 -0.000) 9.217 10.112 ( -12.126 15.151 -0.000) 19.406 10.750 ( -0.424 6.160 0.000) 6.175 11.001 ( 2.521 -8.177 -0.000) 8.557 11.021 ( 2.885 -8.712 -0.000) 9.178 11.053 ( -0.497 -9.563 -0.000) 9.576 11.392 ( -16.197 4.837 -0.000) 16.904 11.504 ( -19.865 -3.918 -0.000) 20.248 12.966 ( -1.630 5.531 0.000) 5.766 13.467 ( -9.508 -7.183 -0.000) 11.917 ======================= Grid point 50 (30/90) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -1.571 1.337 0.000) 2.063 2.393 ( -1.337 1.571 0.000) 2.063 2.986 ( -4.542 -8.233 -0.000) 9.403 2.986 ( 8.233 4.542 0.000) 9.403 3.523 ( -6.998 -2.173 -0.000) 7.327 3.523 ( 2.173 6.998 0.000) 7.327 4.165 ( -8.704 -5.051 -0.000) 10.063 4.165 ( 5.051 8.704 0.000) 10.063 5.761 ( 0.203 -5.461 -0.000) 5.465 5.761 ( 5.461 -0.203 0.000) 5.465 5.881 ( -1.796 -4.965 0.000) 5.280 5.881 ( 4.965 1.796 0.000) 5.280 6.279 ( 2.562 -2.690 0.000) 3.715 6.279 ( 2.690 -2.562 0.000) 3.715 6.499 ( 9.385 -18.349 0.000) 20.610 6.499 ( 18.349 -9.385 0.000) 20.610 7.328 ( -12.529 7.450 0.000) 14.577 7.328 ( -7.450 12.529 0.000) 14.577 7.993 ( -12.658 -25.107 -0.000) 28.118 7.993 ( 25.107 12.658 0.000) 28.118 8.255 ( -5.891 -12.177 -0.000) 13.527 8.255 ( 12.177 5.891 0.000) 13.527 9.098 ( -11.914 -2.294 -0.000) 12.133 9.098 ( 2.294 11.914 0.000) 12.133 9.502 ( 10.888 -11.662 0.000) 15.955 9.502 ( 11.662 -10.888 0.000) 15.955 9.848 ( -8.682 -5.885 -0.000) 10.489 9.848 ( 5.885 8.682 0.000) 10.489 10.871 ( 1.649 -3.377 0.000) 3.758 10.871 ( 3.377 -1.649 0.000) 3.758 11.032 ( -5.596 1.589 -0.000) 5.818 11.032 ( -1.589 5.596 0.000) 5.818 11.178 ( -9.492 8.903 0.000) 13.013 11.178 ( -8.903 9.492 0.000) 13.013 13.147 ( -8.558 -3.619 -0.000) 9.291 13.147 ( 3.619 8.558 0.000) 9.291 ======================= Grid point 56 (31/90) ======================= q-point: ( 0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 13.569 8.557) 16.042 1.602 ( -0.000 18.654 11.476) 21.902 2.360 ( -0.000 15.348 15.065) 21.506 2.676 ( -0.000 22.049 11.714) 24.968 3.636 ( 0.000 -8.012 0.673) 8.040 3.829 ( 0.000 -5.290 -7.578) 9.241 4.182 ( 0.000 1.938 -6.742) 7.015 4.226 ( -0.000 -4.291 8.898) 9.878 4.825 ( -0.000 3.545 2.577) 4.383 5.254 ( -0.000 9.488 -6.820) 11.685 5.783 ( 0.000 5.258 -5.053) 7.293 5.912 ( 0.000 3.476 -9.658) 10.265 6.087 ( -0.000 1.972 4.646) 5.048 6.177 ( -0.000 2.131 -1.320) 2.507 6.308 ( 0.000 -10.707 3.120) 11.152 6.463 ( -0.000 5.259 5.788) 7.820 6.475 ( -0.000 9.261 -3.997) 10.086 6.611 ( -0.000 12.124 -3.299) 12.565 6.849 ( -0.000 7.137 6.881) 9.914 6.905 ( -0.000 6.550 7.993) 10.334 7.469 ( -0.000 8.805 -0.074) 8.805 7.523 ( -0.000 11.947 -2.148) 12.138 8.053 ( -0.000 14.913 -2.317) 15.092 9.290 ( 0.000 -6.597 2.274) 6.978 9.554 ( 0.000 -14.142 -6.194) 15.439 10.005 ( -0.000 19.903 4.435) 20.391 10.094 ( 0.000 -12.820 7.046) 14.629 10.213 ( 0.000 -3.747 -6.904) 7.855 10.837 ( -0.000 5.666 1.139) 5.779 10.937 ( 0.000 -5.221 -9.239) 10.612 11.139 ( 0.000 -8.552 1.982) 8.778 11.410 ( 0.000 -20.691 4.798) 21.240 11.840 ( -0.000 6.321 0.006) 6.321 12.307 ( 0.000 -6.330 -0.043) 6.330 13.173 ( -0.000 1.573 -0.058) 1.574 13.967 ( 0.000 -5.997 0.234) 6.001 ======================= Grid point 57 (32/90) ======================= q-point: ( 0.27 -0.07 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 16.354 8.413 4.203) 18.865 2.011 ( 3.553 15.752 2.399) 16.325 2.812 ( 11.652 9.849 9.830) 18.149 2.990 ( 5.497 8.796 7.450) 12.770 3.454 ( -1.386 -6.384 5.854) 8.771 3.679 ( -1.411 -9.212 -3.131) 9.832 4.130 ( -3.558 2.507 0.013) 4.352 4.440 ( 13.238 1.667 -1.602) 13.439 4.867 ( -5.464 6.587 7.770) 11.559 5.482 ( 11.977 -2.834 -4.591) 13.136 5.726 ( -3.843 -7.002 -10.296) 13.031 5.985 ( 1.266 3.551 -3.038) 4.841 6.051 ( 0.955 -5.162 3.005) 6.049 6.114 ( -2.002 -0.116 0.981) 2.233 6.254 ( 2.360 -0.445 3.781) 4.479 6.400 ( -0.247 -4.026 3.991) 5.674 6.543 ( 5.384 -9.183 -0.724) 10.669 6.920 ( 10.983 9.676 -2.966) 14.935 7.049 ( 6.553 9.601 0.216) 11.626 7.270 ( 8.178 13.174 -1.410) 15.570 7.901 ( 8.856 10.491 -3.356) 14.133 7.994 ( 13.078 20.824 1.250) 24.622 8.332 ( 0.452 10.073 -0.193) 10.085 9.110 ( -1.676 -9.608 -6.286) 11.604 9.172 ( -3.027 -15.311 -2.754) 15.849 9.866 ( 0.187 -9.127 14.059) 16.763 10.063 ( -5.305 -3.866 -3.744) 7.557 10.484 ( -3.166 25.865 1.537) 26.104 10.821 ( 1.978 -6.026 -6.454) 9.049 10.841 ( -2.411 -9.362 -1.093) 9.729 10.997 ( -0.916 -6.573 4.250) 7.880 11.054 ( 1.257 -5.644 1.255) 5.917 11.901 ( -6.752 5.920 -0.115) 8.981 12.097 ( -7.122 -6.373 0.658) 9.579 13.165 ( -5.103 3.586 -2.649) 6.776 13.804 ( -5.163 -4.374 1.082) 6.852 ======================= Grid point 58 (33/90) ======================= q-point: ( 0.27 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 14.663 3.839 -0.913) 15.185 2.336 ( 3.521 7.437 -5.396) 9.840 2.936 ( -3.162 2.656 8.791) 9.712 3.211 ( -4.957 -10.627 2.743) 12.043 3.483 ( 9.829 3.687 3.206) 10.977 3.666 ( 12.444 9.061 11.491) 19.209 4.044 ( -6.586 -0.714 -3.587) 7.534 4.607 ( -3.385 -2.131 1.738) 4.361 5.001 ( 13.959 2.644 6.334) 15.555 5.507 ( 3.963 -7.706 -9.753) 13.046 5.645 ( 8.856 -8.027 -5.650) 13.221 5.889 ( 4.085 -8.132 4.471) 10.140 5.973 ( 3.878 -13.650 3.685) 14.661 6.035 ( -0.042 -9.169 -1.889) 9.362 6.273 ( 2.512 2.991 3.866) 5.496 6.307 ( 4.336 -9.325 3.456) 10.849 6.850 ( 16.572 12.327 -1.997) 20.750 7.292 ( 5.225 7.989 -10.225) 13.988 7.452 ( 20.544 0.273 -0.757) 20.560 7.672 ( 5.236 9.244 0.280) 10.628 8.156 ( 9.708 -5.456 0.615) 11.153 8.242 ( -1.105 -17.617 -2.880) 17.885 8.616 ( 13.079 -4.942 -11.940) 18.386 8.934 ( -0.708 14.962 -3.230) 15.323 9.106 ( 3.900 6.556 -0.552) 7.649 9.693 ( -4.843 -4.019 14.614) 15.911 9.861 ( -5.719 -4.414 4.312) 8.413 10.312 ( -5.139 -22.531 4.307) 23.508 10.762 ( -1.900 4.004 -6.474) 7.846 10.946 ( -1.667 1.128 -2.034) 2.861 10.987 ( 0.652 10.075 1.986) 10.290 11.129 ( 0.482 14.570 0.302) 14.582 11.727 ( -12.835 -3.565 -1.191) 13.374 11.846 ( -13.223 4.170 1.678) 13.966 13.154 ( -4.870 6.174 -4.195) 8.912 13.588 ( -9.577 -1.022 2.324) 9.908 ======================= Grid point 59 (34/90) ======================= q-point: (-0.73 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 1.357 -1.357 -6.637) 6.909 2.457 ( 3.807 -3.807 -3.388) 6.361 2.882 ( 1.533 -1.533 0.204) 2.177 3.030 ( -2.753 2.753 9.824) 10.567 3.716 ( -1.928 1.928 8.042) 8.492 3.751 ( -1.901 1.901 4.050) 4.861 4.215 ( -1.679 1.679 3.295) 4.061 4.354 ( 0.338 -0.338 2.744) 2.785 5.369 ( 10.990 -10.990 -6.986) 17.040 5.381 ( 13.160 -13.160 -4.377) 19.119 5.634 ( 3.211 -3.211 -0.204) 4.546 5.784 ( 11.647 -11.647 5.143) 17.255 5.890 ( 7.770 -7.770 1.363) 11.073 5.891 ( 11.248 -11.248 2.632) 16.123 6.278 ( 0.809 -0.809 2.488) 2.739 6.331 ( -0.453 0.453 3.977) 4.028 7.361 ( -0.865 0.865 -10.671) 10.741 7.483 ( 8.063 -8.063 -4.267) 12.175 7.624 ( 4.233 -4.233 -8.876) 10.706 7.795 ( 12.055 -12.055 1.625) 17.126 7.891 ( 12.461 -12.461 -0.638) 17.633 8.161 ( -1.194 1.194 9.171) 9.325 8.596 ( 9.781 -9.781 -23.252) 27.055 9.368 ( -1.595 1.595 -5.179) 5.649 9.413 ( -5.395 5.395 1.805) 7.841 9.521 ( -0.838 0.838 14.460) 14.508 9.579 ( 1.679 -1.679 -1.108) 2.621 9.933 ( 5.853 -5.853 17.420) 19.287 10.784 ( -2.897 2.897 -6.074) 7.326 10.922 ( -0.117 0.117 -1.152) 1.163 11.227 ( -4.554 4.554 -0.634) 6.472 11.274 ( -6.494 6.494 1.179) 9.259 11.569 ( -11.221 11.221 -1.917) 15.985 11.647 ( -10.504 10.504 1.766) 14.960 13.196 ( -4.592 4.592 -7.214) 9.707 13.442 ( -7.072 7.072 5.184) 11.266 ======================= Grid point 65 (35/90) ======================= q-point: (-0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 -0.663 0.115) 0.673 2.140 ( 0.000 1.697 -6.085) 6.317 2.772 ( 0.000 2.119 -2.446) 3.236 3.208 ( -0.000 -1.288 3.105) 3.362 3.563 ( -0.000 -2.847 3.615) 4.601 3.602 ( -0.000 -0.515 18.031) 18.038 3.990 ( 0.000 -0.442 -20.517) 20.521 4.476 ( -0.000 0.213 12.715) 12.717 5.182 ( 0.000 -1.199 -2.106) 2.423 5.220 ( 0.000 -3.481 -5.716) 6.692 5.510 ( -0.000 -2.831 4.547) 5.356 5.725 ( 0.000 -15.869 0.286) 15.871 6.022 ( -0.000 -6.274 6.085) 8.740 6.184 ( -0.000 0.611 2.587) 2.659 6.205 ( 0.000 -0.277 -0.759) 0.808 6.301 ( -0.000 7.972 -0.776) 8.010 6.604 ( -0.000 -10.560 12.607) 16.446 6.752 ( 0.000 -5.656 -1.536) 5.861 7.080 ( -0.000 7.871 -0.914) 7.924 7.321 ( 0.000 14.305 -19.381) 24.088 7.752 ( 0.000 -9.189 -2.838) 9.617 8.069 ( 0.000 -7.738 -9.606) 12.335 8.347 ( 0.000 -12.391 0.710) 12.412 9.007 ( -0.000 12.201 -0.065) 12.202 9.073 ( -0.000 8.298 2.438) 8.648 10.006 ( 0.000 -1.581 -0.631) 1.702 10.092 ( -0.000 0.173 13.980) 13.981 10.469 ( 0.000 -22.742 3.528) 23.014 10.615 ( 0.000 2.544 -6.766) 7.228 10.984 ( -0.000 5.918 -3.225) 6.740 11.036 ( -0.000 2.083 0.911) 2.274 11.106 ( -0.000 18.444 -0.261) 18.446 11.982 ( 0.000 -5.053 -0.733) 5.106 12.162 ( -0.000 4.427 1.514) 4.679 13.203 ( 0.000 2.741 -3.947) 4.806 13.863 ( -0.000 1.114 1.906) 2.208 ======================= Grid point 66 (36/90) ======================= q-point: (-0.52 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 14.492 -4.152 -6.836) 16.553 2.119 ( 1.936 -5.793 -12.933) 14.303 3.023 ( 4.554 -4.736 -0.106) 6.571 3.109 ( 13.296 -1.734 -7.214) 15.226 3.447 ( -3.903 1.887 12.916) 13.624 3.705 ( 7.318 -4.539 2.751) 9.040 3.973 ( -0.175 2.232 -5.865) 6.277 4.551 ( 5.827 -3.945 7.279) 10.124 4.949 ( 0.048 -16.135 -5.922) 17.188 5.160 ( 7.903 -14.638 -1.526) 16.705 5.317 ( -3.475 -1.262 10.986) 11.592 5.569 ( 5.779 -7.933 9.404) 13.593 5.893 ( -3.787 -1.337 7.296) 8.328 6.026 ( -3.818 -11.963 12.730) 17.882 6.261 ( 1.203 1.662 -2.241) 3.039 6.354 ( -0.185 2.567 0.307) 2.592 6.696 ( 12.477 5.109 -3.078) 13.829 6.802 ( 14.921 -8.711 -1.979) 17.391 7.236 ( 5.138 -2.526 -4.080) 7.030 7.477 ( -0.482 -1.900 -14.198) 14.333 7.591 ( 6.166 -12.577 -10.701) 17.627 7.869 ( 5.745 -16.731 -11.824) 21.278 8.063 ( 3.982 -6.730 -2.201) 8.124 9.298 ( -1.307 12.354 5.257) 13.489 9.355 ( -0.521 17.083 -1.271) 17.138 9.890 ( -4.318 -6.436 5.312) 9.396 10.000 ( -5.513 -10.714 2.108) 12.233 10.161 ( 2.982 -0.408 16.944) 17.209 10.700 ( 0.942 3.174 -5.708) 6.599 10.927 ( -3.322 -2.940 -4.523) 6.335 11.165 ( 1.915 8.810 1.313) 9.110 11.555 ( -1.942 18.136 -1.427) 18.296 11.812 ( -5.015 -2.228 -1.822) 5.782 12.197 ( -7.514 5.676 1.260) 9.501 13.249 ( -3.935 5.834 -6.751) 9.752 13.858 ( -5.644 4.210 3.330) 7.790 ======================= Grid point 67 (37/90) ======================= q-point: (-0.52 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 7.567 -7.567 -12.607) 16.536 1.971 ( 10.809 -10.809 -11.654) 19.221 2.875 ( -0.570 0.570 -3.095) 3.199 3.433 ( -0.825 0.825 14.797) 14.843 3.518 ( 13.917 -13.917 -14.545) 24.473 3.622 ( 4.981 -4.981 -7.732) 10.459 4.100 ( 3.341 -3.341 4.487) 6.516 4.387 ( 6.138 -6.138 13.143) 15.751 4.777 ( 6.126 -6.126 -4.050) 9.563 5.197 ( 4.013 -4.013 9.236) 10.840 5.221 ( 15.186 -15.186 5.957) 22.288 5.597 ( 4.666 -4.666 11.511) 13.268 5.733 ( 4.995 -4.995 8.925) 11.382 5.861 ( -4.430 4.430 6.421) 8.971 6.303 ( -0.762 0.762 -2.976) 3.166 6.400 ( -0.700 0.700 0.240) 1.018 6.898 ( 13.764 -13.764 -3.616) 19.798 6.981 ( 11.067 -11.067 -9.185) 18.147 7.213 ( 11.853 -11.853 -1.570) 16.836 7.341 ( 4.999 -4.999 -0.867) 7.123 7.574 ( -2.855 2.855 -12.582) 13.213 7.635 ( 11.472 -11.472 -19.505) 25.370 8.169 ( 7.299 -7.299 -1.656) 10.454 9.449 ( -6.420 6.420 1.411) 9.189 9.556 ( 1.549 -1.549 3.226) 3.899 9.705 ( -3.819 3.819 -0.466) 5.420 9.799 ( -4.239 4.239 4.186) 7.311 10.214 ( 0.161 -0.161 22.199) 22.200 10.772 ( -1.449 1.449 -4.871) 5.285 10.810 ( 0.700 -0.700 -7.124) 7.192 11.402 ( -3.642 3.642 0.827) 5.216 11.493 ( -2.476 2.476 1.445) 3.788 11.913 ( -8.029 8.029 -4.640) 12.267 12.124 ( -10.345 10.345 1.345) 14.692 13.274 ( -6.740 6.740 -8.754) 12.942 13.833 ( -6.621 6.621 4.247) 10.281 ======================= Grid point 71 (38/90) ======================= q-point: ( 0.48 -0.08 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -8.267 14.285 6.893) 17.886 2.007 ( -9.456 8.451 9.191) 15.663 2.847 ( -7.980 -2.806 7.331) 11.193 3.397 ( -7.873 22.040 16.227) 28.479 3.598 ( 6.143 -4.732 -9.152) 11.995 3.618 ( -4.540 -0.119 7.347) 8.638 4.097 ( 4.845 2.364 0.276) 5.398 4.642 ( -1.370 -4.005 -1.569) 4.514 4.870 ( -9.554 11.867 4.687) 15.940 5.437 ( -2.256 -0.723 -11.222) 11.469 5.686 ( -6.365 20.103 -12.812) 24.673 5.831 ( -2.585 5.212 -4.555) 7.388 5.909 ( -2.565 -1.854 -6.351) 7.095 6.163 ( -6.058 -5.197 -9.219) 12.194 6.283 ( -8.200 3.627 -0.748) 8.997 6.394 ( -2.725 2.084 1.045) 3.586 6.833 ( 8.100 5.022 11.523) 14.954 6.929 ( 1.012 3.255 12.001) 12.475 7.121 ( -11.785 14.163 5.412) 19.204 7.408 ( -13.318 11.750 7.936) 19.453 7.769 ( -16.328 15.143 -3.506) 22.543 7.917 ( -20.009 5.227 -3.178) 20.924 8.264 ( -3.873 16.031 0.110) 16.492 9.273 ( 9.702 -4.264 0.482) 10.609 9.387 ( 16.477 2.380 -2.567) 16.845 9.816 ( -2.689 -11.346 -2.005) 11.831 9.932 ( -10.605 -5.401 -3.931) 12.534 10.330 ( 5.062 1.810 5.331) 7.571 10.744 ( -4.175 -2.884 3.236) 6.018 10.775 ( 1.865 0.355 -8.456) 8.666 11.220 ( 10.707 2.424 0.090) 10.978 11.473 ( 13.844 -3.918 0.916) 14.417 11.625 ( 0.863 -8.471 2.785) 8.959 11.983 ( 5.654 -14.708 -0.702) 15.773 13.041 ( 1.929 -4.880 4.508) 6.918 13.760 ( 6.350 -8.181 -2.213) 10.590 ======================= Grid point 74 (39/90) ======================= q-point: (-0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 -10.677 -15.163) 18.545 1.568 ( 0.000 -15.861 -17.396) 23.541 2.460 ( 0.000 -12.218 -21.984) 25.151 2.552 ( 0.000 -20.859 -29.046) 35.760 3.662 ( -0.000 0.923 8.874) 8.921 3.665 ( -0.000 -1.057 13.706) 13.746 4.148 ( -0.000 7.657 5.523) 9.441 4.328 ( 0.000 -10.119 1.293) 10.202 4.814 ( -0.000 -7.723 12.452) 14.653 4.817 ( 0.000 -2.060 -3.301) 3.891 5.451 ( 0.000 -18.540 11.223) 21.673 5.595 ( -0.000 0.524 9.096) 9.111 5.943 ( 0.000 -11.693 9.922) 15.336 6.110 ( 0.000 -6.426 -6.789) 9.348 6.295 ( -0.000 4.750 6.370) 7.946 6.344 ( 0.000 -2.385 -4.765) 5.329 6.385 ( 0.000 -13.229 -9.422) 16.242 6.498 ( -0.000 3.482 1.150) 3.667 6.772 ( 0.000 -19.056 -9.900) 21.474 7.196 ( -0.000 -2.836 6.477) 7.070 7.285 ( 0.000 3.775 -13.163) 13.694 7.582 ( 0.000 4.392 -5.860) 7.323 7.722 ( 0.000 -10.182 -4.748) 11.235 9.546 ( 0.000 7.425 -7.350) 10.448 9.571 ( 0.000 -2.438 0.919) 2.605 9.832 ( -0.000 -0.890 4.751) 4.834 10.036 ( -0.000 -3.343 8.916) 9.523 10.417 ( -0.000 9.218 -0.837) 9.256 10.780 ( -0.000 0.603 11.438) 11.454 10.786 ( 0.000 -4.588 -4.708) 6.573 11.356 ( -0.000 9.667 0.332) 9.672 11.699 ( 0.000 -4.766 0.907) 4.851 11.905 ( -0.000 13.734 -6.555) 15.219 12.419 ( -0.000 5.894 0.929) 5.966 13.315 ( 0.000 8.691 -7.968) 11.790 14.066 ( -0.000 4.951 2.041) 5.355 ======================= Grid point 75 (40/90) ======================= q-point: (-0.31 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 12.170 -12.170 -16.676) 23.965 1.256 ( 12.133 -12.133 -17.344) 24.398 2.294 ( 9.162 -9.162 -39.737) 41.797 2.355 ( 16.321 -16.321 -28.201) 36.442 3.589 ( -2.210 2.210 13.754) 14.105 3.747 ( 2.541 -2.541 17.113) 17.486 4.163 ( 9.808 -9.808 11.561) 18.057 4.239 ( -5.300 5.300 4.265) 8.624 4.781 ( -1.927 1.927 -0.397) 2.754 4.927 ( 6.817 -6.817 10.493) 14.250 5.077 ( 8.650 -8.650 6.561) 13.881 5.690 ( 1.084 -1.084 10.170) 10.285 5.724 ( 2.852 -2.852 7.038) 8.112 6.087 ( 8.047 -8.047 -4.890) 12.386 6.095 ( 2.566 -2.566 -13.471) 13.951 6.342 ( 1.886 -1.886 -2.682) 3.782 6.438 ( 4.478 -4.478 -1.285) 6.462 6.533 ( 1.018 -1.018 -0.668) 1.587 6.559 ( 7.806 -7.806 -6.128) 12.626 7.238 ( 0.693 -0.693 3.453) 3.590 7.264 ( 3.202 -3.202 8.811) 9.906 7.502 ( -6.043 6.043 -14.088) 16.477 7.813 ( 5.038 -5.038 -5.998) 9.314 9.476 ( 0.861 -0.861 -5.042) 5.187 9.627 ( -2.789 2.789 -8.389) 9.270 9.878 ( -2.911 2.911 6.062) 7.328 9.949 ( 4.324 -4.324 8.961) 10.848 10.578 ( -3.343 3.343 2.868) 5.530 10.672 ( -0.142 0.142 -5.365) 5.369 10.791 ( 0.853 -0.853 10.134) 10.205 11.538 ( -2.079 2.079 0.696) 3.021 11.566 ( -0.677 0.677 0.554) 1.106 12.066 ( -4.170 4.170 -5.311) 7.937 12.476 ( -5.269 5.269 0.726) 7.487 13.434 ( -9.894 9.894 -10.216) 17.325 14.112 ( -3.604 3.604 2.419) 5.642 ======================= Grid point 78 (41/90) ======================= q-point: (-0.31 -0.09 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.596 15.059 -2.460) 15.936 2.160 ( 5.654 5.651 -3.167) 8.598 2.996 ( 6.079 -5.970 -6.110) 10.485 3.421 ( -7.798 -5.285 4.726) 10.540 3.508 ( 1.801 16.938 -5.009) 17.755 3.735 ( 5.937 6.133 -12.458) 15.102 4.002 ( -3.697 0.832 3.969) 5.488 4.687 ( 2.005 -4.455 -3.727) 6.144 5.045 ( 7.308 10.223 -9.696) 15.872 5.417 ( -3.178 0.149 10.992) 11.443 5.627 ( -6.028 12.407 11.624) 18.039 5.923 ( 3.172 0.055 1.914) 3.705 6.006 ( 0.225 3.063 4.348) 5.323 6.234 ( 3.777 4.536 -0.452) 5.920 6.400 ( 3.781 4.607 -2.566) 6.489 6.555 ( 4.871 -0.324 8.571) 9.864 6.600 ( -10.070 7.554 -9.546) 15.799 6.920 ( 2.908 5.143 -0.813) 5.964 7.375 ( 10.772 16.772 -4.446) 20.423 7.595 ( 4.126 14.810 -3.205) 15.705 8.081 ( 11.522 11.145 0.703) 16.046 8.300 ( -1.101 8.033 4.733) 9.389 8.368 ( 22.244 10.408 -1.637) 24.613 8.978 ( -21.399 0.091 4.184) 21.805 9.096 ( -5.653 0.350 -0.352) 5.675 9.793 ( -1.664 -10.178 2.134) 10.531 10.138 ( 0.346 -2.016 -6.297) 6.621 10.412 ( 16.071 -5.298 -2.320) 17.080 10.721 ( -0.963 2.974 9.290) 9.802 10.781 ( -5.489 -3.874 -3.203) 7.443 11.042 ( -5.839 0.600 -0.479) 5.890 11.107 ( -12.297 0.863 -1.736) 12.448 11.696 ( 3.782 -12.994 -0.382) 13.538 11.885 ( -3.793 -13.782 -0.066) 14.295 13.033 ( 0.990 -4.441 -0.587) 4.588 13.654 ( -3.491 -9.585 0.623) 10.220 ======================= Grid point 79 (42/90) ======================= q-point: ( 0.69 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -2.410 6.506 0.148) 6.939 2.394 ( 1.923 8.610 3.810) 9.609 2.937 ( -2.599 -4.316 0.459) 5.059 3.145 ( 0.950 -6.909 -5.153) 8.671 3.705 ( 2.733 2.053 -2.544) 4.261 3.889 ( -1.695 -2.701 -1.901) 3.712 4.163 ( 7.525 11.047 -6.595) 14.905 4.489 ( -2.737 -10.930 -2.112) 11.464 5.364 ( -2.509 13.929 2.423) 14.359 5.507 ( -4.267 9.297 3.495) 10.810 5.690 ( -2.913 6.304 1.215) 7.050 5.975 ( -3.870 0.830 1.834) 4.362 6.010 ( -1.770 4.109 -0.110) 4.476 6.171 ( -9.269 0.455 -6.826) 11.520 6.423 ( 0.254 2.473 -5.204) 5.767 6.543 ( -7.891 5.217 0.071) 9.459 6.971 ( 4.340 7.840 6.462) 11.048 7.256 ( 8.860 19.186 7.816) 22.532 7.757 ( -9.510 7.303 5.333) 13.123 7.915 ( -2.487 12.484 0.148) 12.730 8.137 ( -0.544 -2.887 -3.325) 4.437 8.332 ( -5.982 0.229 -2.858) 6.634 8.612 ( -16.975 8.693 7.062) 20.337 9.050 ( 18.524 8.438 -0.763) 20.370 9.270 ( 1.303 12.780 2.711) 13.129 9.581 ( 0.597 -4.152 -2.038) 4.663 9.984 ( -12.307 -7.030 -6.872) 15.751 10.298 ( -2.645 -7.816 -4.649) 9.471 10.654 ( -0.334 1.035 -0.673) 1.279 10.848 ( 3.303 0.746 6.002) 6.891 11.044 ( 5.540 0.577 -1.340) 5.729 11.127 ( 9.992 -1.313 -0.067) 10.078 11.400 ( 0.701 -15.560 0.556) 15.585 11.561 ( 2.372 -15.803 -0.714) 15.996 13.015 ( 2.129 -0.983 3.196) 3.963 13.410 ( 2.422 -10.796 -1.780) 11.207 ======================= Grid point 83 (43/90) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 -0.000 -24.250) 24.250 0.465 ( 0.000 -0.000 -24.250) 24.250 1.074 ( 0.000 -0.000 -55.646) 55.646 1.300 ( 0.000 -0.000 -37.724) 37.724 3.963 ( -0.000 0.000 11.623) 11.623 3.963 ( -0.000 0.000 11.623) 11.623 4.160 ( -0.000 0.000 9.878) 9.878 4.503 ( -0.000 0.000 2.018) 2.018 4.819 ( 0.000 -0.000 -0.072) 0.072 4.937 ( -0.000 0.000 4.631) 4.631 4.937 ( -0.000 0.000 4.631) 4.631 5.506 ( 0.000 -0.000 -17.175) 17.175 5.690 ( 0.000 -0.000 -6.180) 6.180 5.887 ( -0.000 0.000 10.196) 10.196 5.887 ( -0.000 0.000 10.196) 10.196 6.221 ( 0.000 -0.000 -2.482) 2.482 6.265 ( 0.000 -0.000 -7.143) 7.143 6.265 ( 0.000 -0.000 -7.143) 7.143 6.755 ( -0.000 0.000 6.018) 6.018 7.421 ( -0.000 0.000 10.563) 10.563 7.421 ( -0.000 0.000 10.563) 10.563 7.593 ( 0.000 -0.000 -4.361) 4.361 7.593 ( 0.000 -0.000 -4.361) 4.361 9.481 ( 0.000 -0.000 -9.451) 9.451 9.481 ( 0.000 -0.000 -9.451) 9.451 9.584 ( -0.000 0.000 1.255) 1.255 10.059 ( -0.000 0.000 4.731) 4.731 10.605 ( 0.000 -0.000 -2.553) 2.553 10.605 ( 0.000 -0.000 -2.553) 2.553 11.016 ( -0.000 0.000 9.531) 9.531 11.592 ( -0.000 0.000 0.292) 0.292 11.592 ( -0.000 0.000 0.292) 0.292 12.069 ( 0.000 -0.000 -3.407) 3.407 12.591 ( -0.000 0.000 0.238) 0.238 13.691 ( 0.000 -0.000 -1.714) 1.714 14.220 ( -0.000 0.000 1.171) 1.171 ======================= Grid point 85 (44/90) ======================= q-point: (-0.10 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.735 13.735 -11.010) 22.327 1.594 ( 14.755 14.755 -6.277) 21.791 2.394 ( 15.574 15.574 -12.357) 25.255 2.624 ( 20.592 20.592 -23.353) 37.328 3.572 ( -4.924 -4.924 0.896) 7.021 3.937 ( -5.615 -5.615 9.405) 12.310 4.139 ( -2.709 -2.709 -2.050) 4.346 4.654 ( -1.529 -1.529 -0.743) 2.286 4.740 ( 9.475 9.475 4.542) 14.148 5.454 ( 8.769 8.769 3.815) 12.974 5.623 ( 14.933 14.933 10.428) 23.553 5.859 ( 0.255 0.255 -0.810) 0.886 6.009 ( 7.449 7.449 0.869) 10.570 6.141 ( -0.011 -0.011 -0.962) 0.962 6.202 ( 4.354 4.354 10.031) 11.770 6.361 ( -5.268 -5.268 -1.696) 7.641 6.612 ( -5.427 -5.427 -21.861) 23.169 6.694 ( 13.087 13.087 0.222) 18.509 6.861 ( 12.206 12.206 0.794) 17.280 6.937 ( 13.588 13.588 -7.852) 20.759 7.681 ( 9.366 9.366 9.735) 16.438 7.712 ( 7.573 7.573 6.774) 12.673 8.061 ( 10.886 10.886 -4.367) 16.002 9.385 ( -2.247 -2.247 -3.317) 4.594 9.534 ( 5.224 5.224 -1.708) 7.583 9.739 ( -7.431 -7.431 0.460) 10.518 10.103 ( -7.384 -7.384 7.050) 12.600 10.368 ( -5.202 -5.202 -3.858) 8.307 10.598 ( 0.570 0.570 -2.312) 2.448 10.981 ( -0.398 -0.398 7.755) 7.776 11.424 ( -3.726 -3.726 0.265) 5.275 11.508 ( -2.827 -2.827 -0.261) 4.007 11.736 ( -7.395 -7.395 -3.539) 11.040 12.161 ( -10.106 -10.106 0.549) 14.303 12.997 ( -2.920 -2.920 -4.844) 6.365 13.935 ( -6.527 -6.527 1.281) 9.319 ======================= Grid point 86 (45/90) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 11.551 11.551 -4.894) 17.054 2.101 ( 9.457 9.457 -4.096) 13.987 2.772 ( 3.666 3.666 -1.527) 5.404 3.388 ( 15.308 15.308 -19.661) 29.244 3.450 ( -0.902 -0.902 -7.905) 8.008 3.609 ( -10.265 -10.265 6.773) 16.019 3.992 ( -3.248 -3.248 -4.510) 6.437 4.514 ( -4.176 -4.176 -1.558) 6.108 5.228 ( 12.513 12.513 4.074) 18.158 5.679 ( -0.777 -0.777 14.466) 14.508 5.921 ( 4.034 4.034 0.619) 5.739 6.103 ( 6.408 6.408 2.813) 9.489 6.158 ( 0.710 0.710 4.776) 4.880 6.255 ( -0.071 -0.071 -3.450) 3.451 6.267 ( -0.667 -0.667 -8.372) 8.425 6.423 ( 7.686 7.686 6.791) 12.816 6.715 ( 16.968 16.968 -1.137) 24.024 7.020 ( 3.269 3.269 -2.335) 5.179 7.249 ( 6.103 6.103 -1.679) 8.793 7.556 ( 14.870 14.870 -5.675) 21.782 8.133 ( 10.981 10.981 3.803) 15.989 8.267 ( 16.536 16.536 7.388) 24.525 8.556 ( 11.066 11.066 -1.937) 15.769 9.182 ( -7.841 -7.841 3.995) 11.786 9.534 ( 0.491 0.491 -6.358) 6.396 9.556 ( -7.785 -7.785 8.159) 13.704 9.882 ( -0.192 -0.192 -1.046) 1.080 10.145 ( -4.667 -4.667 -9.079) 11.225 10.657 ( 2.327 2.327 -1.812) 3.756 10.970 ( -0.373 -0.373 7.235) 7.254 11.249 ( -4.565 -4.565 0.271) 6.462 11.323 ( -6.143 -6.143 0.396) 8.697 11.395 ( -8.576 -8.576 -3.450) 12.609 11.667 ( -13.046 -13.046 -0.475) 18.455 12.920 ( -0.449 -0.449 -1.549) 1.674 13.621 ( -8.427 -8.427 1.312) 11.989 ======================= Grid point 87 (46/90) ======================= q-point: (-0.10 -0.10 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 3.568 3.568 -3.345) 6.054 2.374 ( 4.002 4.002 -2.960) 6.387 2.878 ( 3.529 3.529 1.640) 5.253 3.153 ( -9.693 -9.693 2.642) 13.960 3.513 ( 4.206 4.206 -9.965) 11.606 3.718 ( -2.998 -2.998 -13.815) 14.450 4.022 ( 7.310 7.310 -2.921) 10.742 4.310 ( -5.825 -5.825 -2.895) 8.732 5.640 ( 1.163 1.163 7.613) 7.788 5.650 ( 5.183 5.183 4.931) 8.834 6.020 ( -2.332 -2.332 -8.447) 9.069 6.041 ( 0.315 0.315 -4.476) 4.498 6.216 ( 0.857 0.857 7.672) 7.768 6.244 ( -0.634 -0.634 7.698) 7.750 6.455 ( 6.337 6.337 3.869) 9.761 6.633 ( -0.616 -0.616 10.995) 11.029 7.195 ( 6.341 6.341 -13.664) 16.344 7.361 ( 0.095 0.095 -6.504) 6.506 7.575 ( 20.646 20.646 5.140) 29.646 8.080 ( 10.257 10.257 -0.605) 14.518 8.379 ( -1.457 -1.457 1.558) 2.583 8.383 ( -16.291 -16.291 7.564) 24.249 8.810 ( 9.047 9.047 4.835) 13.677 9.158 ( -8.954 -8.954 5.916) 13.977 9.421 ( 16.647 16.647 -5.271) 24.125 9.711 ( 5.474 5.474 -2.944) 8.283 9.840 ( -1.754 -1.754 -1.722) 3.020 9.975 ( -7.143 -7.143 -7.107) 12.351 10.779 ( 3.284 3.284 1.499) 4.880 10.932 ( -2.289 -2.289 7.456) 8.128 11.030 ( -5.227 -5.227 0.895) 7.445 11.066 ( -3.931 -3.931 0.241) 5.565 11.114 ( -3.088 -3.088 -3.927) 5.873 11.214 ( -7.253 -7.253 -4.917) 11.376 12.997 ( 4.416 4.416 0.097) 6.246 13.268 ( -8.112 -8.112 1.075) 11.523 ======================= Grid point 92 (47/90) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 17.729 0.000) 17.729 0.987 ( -0.000 23.846 0.000) 23.846 1.714 ( -0.000 25.796 0.000) 25.796 1.905 ( -0.000 38.955 0.000) 38.955 3.839 ( 0.000 -9.853 -0.000) 9.853 4.038 ( 0.000 -3.457 -0.000) 3.457 4.256 ( 0.000 -5.884 -0.000) 5.884 4.261 ( 0.000 -4.986 -0.000) 4.986 4.767 ( -0.000 1.143 0.000) 1.143 5.088 ( -0.000 12.579 0.000) 12.579 5.696 ( -0.000 23.892 0.000) 23.892 5.735 ( -0.000 3.536 0.000) 3.536 5.982 ( -0.000 10.690 0.000) 10.690 6.098 ( -0.000 0.203 0.000) 0.203 6.150 ( -0.000 15.077 0.000) 15.077 6.297 ( -0.000 10.140 0.000) 10.140 6.453 ( 0.000 -2.912 -0.000) 2.912 6.486 ( -0.000 0.134 0.000) 0.134 6.603 ( -0.000 16.569 0.000) 16.569 6.613 ( 0.000 -3.012 -0.000) 3.012 7.446 ( 0.000 -2.518 -0.000) 2.518 7.489 ( 0.000 -1.723 -0.000) 1.723 7.818 ( -0.000 11.289 0.000) 11.289 9.321 ( 0.000 -2.569 -0.000) 2.569 9.516 ( -0.000 17.000 0.000) 17.000 9.916 ( 0.000 -10.272 -0.000) 10.272 10.317 ( 0.000 -12.203 -0.000) 12.203 10.434 ( 0.000 -7.764 -0.000) 7.764 10.704 ( -0.000 5.416 0.000) 5.416 11.086 ( 0.000 -1.017 -0.000) 1.017 11.344 ( 0.000 -11.253 -0.000) 11.253 11.722 ( -0.000 5.223 0.000) 5.223 11.726 ( 0.000 -14.695 -0.000) 14.695 12.434 ( 0.000 -5.758 -0.000) 5.758 13.097 ( -0.000 4.012 0.000) 4.012 14.095 ( 0.000 -5.917 -0.000) 5.917 ======================= Grid point 93 (48/90) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 20.287 12.231 0.000) 23.688 1.545 ( 6.480 21.784 0.000) 22.727 2.374 ( 14.845 19.321 0.000) 24.366 2.592 ( 3.809 21.872 0.000) 22.201 3.562 ( -5.217 -8.161 -0.000) 9.686 3.946 ( 0.757 -9.984 -0.000) 10.012 4.103 ( -3.372 -0.723 -0.000) 3.449 4.410 ( 16.527 -0.262 0.000) 16.529 4.741 ( -5.375 1.251 -0.000) 5.518 5.512 ( 17.365 7.097 0.000) 18.759 5.862 ( 1.279 3.776 0.000) 3.986 5.956 ( -4.793 7.740 0.000) 9.104 6.007 ( -1.741 1.145 -0.000) 2.084 6.130 ( 1.510 11.854 0.000) 11.950 6.233 ( -4.219 -13.582 -0.000) 14.222 6.313 ( -2.993 -4.466 -0.000) 5.376 6.713 ( -1.731 16.054 0.000) 16.147 6.724 ( 14.030 7.052 0.000) 15.703 6.854 ( 5.304 -0.980 0.000) 5.394 6.865 ( 9.654 26.028 0.000) 27.761 7.676 ( 9.461 12.118 0.000) 15.374 7.689 ( 20.138 3.859 0.000) 20.504 8.078 ( 0.145 13.948 0.000) 13.949 9.252 ( -0.549 -3.106 -0.000) 3.154 9.589 ( -3.746 -17.217 -0.000) 17.620 9.920 ( -2.441 24.033 0.000) 24.157 10.034 ( 0.420 -15.890 -0.000) 15.896 10.219 ( -5.695 -6.521 -0.000) 8.658 10.779 ( -4.512 6.671 0.000) 8.054 11.049 ( -0.605 -1.582 -0.000) 1.694 11.118 ( 2.822 -12.850 -0.000) 13.156 11.384 ( 2.003 -20.613 -0.000) 20.710 11.773 ( -6.438 6.014 -0.000) 8.811 12.230 ( -7.423 -6.525 -0.000) 9.883 13.102 ( -6.464 4.166 -0.000) 7.690 13.919 ( -4.132 -6.800 -0.000) 7.956 ======================= Grid point 94 (49/90) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 16.184 8.168 0.000) 18.128 2.096 ( 6.377 16.956 0.000) 18.116 2.781 ( 1.688 3.867 0.000) 4.219 3.203 ( 16.471 16.484 0.000) 23.303 3.345 ( -2.387 -5.244 -0.000) 5.761 3.629 ( -7.006 -11.764 -0.000) 13.692 4.047 ( -5.381 2.499 -0.000) 5.933 4.602 ( -8.937 -0.007 -0.000) 8.937 4.897 ( 26.171 2.461 0.000) 26.287 5.835 ( 13.487 -5.768 0.000) 14.668 5.865 ( -3.376 -11.245 -0.000) 11.741 5.900 ( 2.088 -0.680 0.000) 2.196 6.059 ( -1.143 -5.457 -0.000) 5.575 6.155 ( 7.570 2.529 0.000) 7.981 6.173 ( 1.355 0.157 0.000) 1.364 6.539 ( 11.846 19.172 0.000) 22.536 6.683 ( 6.189 -19.359 -0.000) 20.324 7.135 ( 0.427 24.562 0.000) 24.566 7.239 ( 11.773 8.855 0.000) 14.732 7.475 ( 14.659 8.094 0.000) 16.745 8.162 ( 10.557 7.072 0.000) 12.707 8.353 ( 20.162 16.422 0.000) 26.004 8.417 ( 8.311 8.698 0.000) 12.030 9.105 ( -5.307 -16.162 -0.000) 17.011 9.184 ( 1.793 -4.173 -0.000) 4.542 9.679 ( -4.064 -13.685 -0.000) 14.275 9.955 ( -6.664 -6.366 -0.000) 9.216 10.334 ( -8.836 21.652 0.000) 23.385 10.811 ( -4.687 5.746 -0.000) 7.415 10.930 ( 3.479 -16.559 -0.000) 16.921 10.959 ( 3.021 -6.913 -0.000) 7.544 11.060 ( 0.330 -5.113 -0.000) 5.123 11.699 ( -12.769 5.991 -0.000) 14.104 11.866 ( -14.438 -6.119 -0.000) 15.681 13.057 ( -6.504 5.805 -0.000) 8.718 13.654 ( -8.170 -6.103 -0.000) 10.198 ======================= Grid point 95 (50/90) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 6.032 5.339 0.000) 8.055 2.418 ( -0.235 6.215 0.000) 6.219 2.854 ( 3.983 1.352 0.000) 4.206 3.089 ( -5.038 -11.631 -0.000) 12.676 3.485 ( 0.908 6.437 0.000) 6.500 3.649 ( -2.755 4.248 0.000) 5.063 4.059 ( 3.743 7.550 0.000) 8.427 4.371 ( -10.647 -3.115 -0.000) 11.094 5.484 ( 23.862 -0.069 0.000) 23.862 5.711 ( 5.911 -2.581 0.000) 6.450 5.791 ( -1.289 -11.171 -0.000) 11.246 5.911 ( 0.579 -6.057 -0.000) 6.085 6.025 ( 15.794 -5.803 0.000) 16.826 6.230 ( 3.091 -5.058 -0.000) 5.928 6.263 ( 3.803 -1.476 0.000) 4.079 6.351 ( 6.714 -21.132 -0.000) 22.172 7.273 ( 16.307 16.283 0.000) 23.044 7.520 ( -1.630 6.571 0.000) 6.770 7.612 ( 3.770 15.812 0.000) 16.255 7.912 ( 20.453 1.688 0.000) 20.522 8.163 ( -4.245 -20.840 -0.000) 21.268 8.317 ( 0.313 -15.829 -0.000) 15.832 9.045 ( 6.335 19.573 0.000) 20.573 9.161 ( 10.326 1.705 0.000) 10.465 9.187 ( 12.207 -7.387 0.000) 14.268 9.410 ( -5.012 1.150 -0.000) 5.143 9.704 ( 0.471 -6.771 -0.000) 6.788 10.094 ( -10.950 -17.456 -0.000) 20.606 10.828 ( -0.219 2.164 0.000) 2.175 10.879 ( -0.883 0.485 -0.000) 1.008 11.026 ( 1.429 8.317 0.000) 8.438 11.113 ( -1.864 11.006 0.000) 11.163 11.444 ( -15.422 -1.084 -0.000) 15.461 11.497 ( -17.398 5.235 -0.000) 18.168 13.121 ( -1.643 9.112 0.000) 9.259 13.353 ( -10.445 -3.504 -0.000) 11.017 ======================= Grid point 101 (51/90) ======================= q-point: ( 0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 8.988 6.283) 10.966 1.974 ( -0.000 16.796 2.857) 17.037 2.628 ( -0.000 10.828 5.648) 12.213 2.973 ( -0.000 7.841 10.539) 13.136 3.471 ( 0.000 -7.749 4.741) 9.084 3.684 ( 0.000 -8.512 -2.852) 8.978 4.171 ( -0.000 -0.801 12.384) 12.410 4.295 ( 0.000 6.956 -13.833) 15.484 4.931 ( -0.000 6.815 6.867) 9.675 5.345 ( 0.000 -0.153 -3.501) 3.505 5.805 ( 0.000 -11.193 -7.648) 13.556 5.918 ( -0.000 5.690 -4.326) 7.148 6.084 ( 0.000 -9.792 6.086) 11.529 6.161 ( -0.000 5.828 1.374) 5.988 6.195 ( 0.000 -1.358 -2.556) 2.894 6.444 ( 0.000 -13.961 -7.716) 15.951 6.466 ( -0.000 -2.907 14.401) 14.691 6.766 ( -0.000 8.811 -1.658) 8.965 6.959 ( -0.000 -0.672 4.144) 4.198 7.204 ( -0.000 22.290 -8.357) 23.805 7.804 ( -0.000 9.770 -3.503) 10.379 7.856 ( -0.000 25.517 2.240) 25.615 8.330 ( -0.000 9.917 0.524) 9.931 9.130 ( 0.000 -8.110 -6.279) 10.257 9.205 ( 0.000 -16.630 -3.260) 16.947 9.858 ( -0.000 -9.155 14.630) 17.258 10.124 ( 0.000 -3.726 -4.549) 5.880 10.513 ( -0.000 26.591 1.275) 26.621 10.797 ( 0.000 -5.864 -7.038) 9.161 10.870 ( 0.000 -13.737 0.431) 13.744 11.016 ( 0.000 -5.871 4.262) 7.255 11.033 ( 0.000 -2.599 0.844) 2.733 11.971 ( -0.000 6.114 -0.095) 6.115 12.170 ( 0.000 -6.622 0.721) 6.661 13.222 ( 0.000 3.029 -3.379) 4.538 13.859 ( 0.000 -4.051 1.492) 4.317 ======================= Grid point 102 (52/90) ======================= q-point: ( 0.32 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 16.019 3.914 1.510) 16.559 2.284 ( 1.602 9.740 -6.836) 12.007 2.969 ( 3.977 5.368 8.236) 10.605 3.120 ( 13.604 4.540 1.657) 14.437 3.299 ( -2.933 -8.108 6.079) 10.550 3.537 ( 3.281 -3.551 6.171) 7.839 4.169 ( -3.722 0.805 1.893) 4.253 4.462 ( 9.192 -0.156 -7.043) 11.581 5.005 ( -6.564 5.046 12.159) 14.710 5.386 ( 7.409 -5.857 -5.038) 10.704 5.527 ( 1.041 -10.514 -6.831) 12.581 5.849 ( 3.038 -19.361 0.776) 19.614 5.878 ( 1.466 -11.361 2.738) 11.778 6.067 ( -1.898 -9.015 4.839) 10.407 6.248 ( 1.993 0.431 0.241) 2.053 6.257 ( -1.658 2.438 2.240) 3.703 6.575 ( 10.152 7.351 0.833) 12.562 6.987 ( 16.576 -4.995 -1.699) 17.395 7.183 ( 9.114 8.796 -0.436) 12.674 7.628 ( -0.233 16.018 -10.485) 19.146 7.927 ( 9.272 -6.962 -2.829) 11.935 8.278 ( -1.196 -9.330 -1.773) 9.572 8.387 ( 7.874 2.422 -8.141) 11.582 8.994 ( -3.513 6.437 -3.188) 7.996 9.073 ( 0.564 5.218 -2.264) 5.715 9.728 ( -0.040 -4.501 21.799) 22.259 9.992 ( -5.302 -3.086 -2.628) 6.674 10.380 ( -1.651 -24.612 3.779) 24.956 10.775 ( 0.495 2.861 -7.201) 7.764 10.994 ( -0.968 5.095 2.600) 5.801 10.997 ( -2.639 4.812 -1.955) 5.826 11.112 ( 0.949 19.344 0.428) 19.372 11.930 ( -6.630 -5.361 -0.983) 8.583 12.057 ( -6.937 4.986 1.656) 8.702 13.255 ( -4.112 5.207 -5.030) 8.326 13.751 ( -5.749 -0.538 2.798) 6.416 ======================= Grid point 103 (53/90) ======================= q-point: (-0.68 -0.12 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 14.698 1.442 -4.940) 15.573 2.386 ( 1.363 -3.555 -9.952) 10.655 2.910 ( -3.408 -4.891 2.507) 6.467 3.107 ( -4.076 1.243 11.690) 12.442 3.580 ( 11.373 6.145 2.831) 13.233 3.830 ( 10.046 3.629 7.125) 12.840 4.019 ( 2.411 0.088 -2.626) 3.566 4.494 ( -5.711 -10.643 0.131) 12.079 5.001 ( 12.697 -3.568 7.161) 15.007 5.266 ( 5.305 -17.510 -7.376) 19.727 5.456 ( 10.185 -9.372 -1.372) 13.908 5.604 ( 9.055 -12.754 2.617) 15.859 5.761 ( 3.921 -7.798 6.174) 10.691 5.780 ( -0.499 -10.194 5.669) 11.676 6.288 ( -0.797 2.993 -0.316) 3.114 6.340 ( -0.225 2.858 1.979) 3.483 7.064 ( 18.052 8.271 -2.690) 20.038 7.238 ( 20.223 -9.671 -3.699) 22.719 7.454 ( 11.900 -6.810 0.672) 13.727 7.680 ( -3.365 -13.866 -8.611) 16.665 7.801 ( 1.894 -11.187 -5.670) 12.684 8.115 ( 4.238 0.480 3.325) 5.407 8.438 ( 6.893 -7.921 -25.910) 27.957 9.249 ( 5.410 10.280 2.074) 11.800 9.370 ( 0.933 16.078 0.148) 16.106 9.613 ( -3.567 -3.639 15.889) 16.686 9.786 ( -10.788 -2.827 0.958) 11.194 9.883 ( -0.243 -15.423 12.994) 20.169 10.834 ( -1.555 2.750 -6.270) 7.021 10.937 ( -1.666 -0.684 -2.211) 2.852 11.191 ( 3.156 10.626 1.048) 11.134 11.465 ( -7.448 6.557 0.589) 9.940 11.720 ( -6.545 9.497 -1.437) 11.623 11.953 ( -14.110 5.503 0.611) 15.158 13.293 ( -4.901 7.127 -7.392) 11.377 13.620 ( -9.002 3.915 5.006) 11.019 ======================= Grid point 110 (54/90) ======================= q-point: (-0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 -4.862 -6.169) 7.855 2.101 ( 0.000 -5.775 -13.890) 15.043 2.800 ( 0.000 0.268 -6.055) 6.060 3.129 ( 0.000 -5.753 -1.050) 5.848 3.505 ( -0.000 -3.213 8.939) 9.499 3.596 ( -0.000 -1.167 10.756) 10.819 3.983 ( 0.000 0.975 -12.041) 12.080 4.464 ( -0.000 -1.381 9.180) 9.283 4.970 ( 0.000 -24.013 -1.704) 24.073 5.053 ( 0.000 -8.042 -9.255) 12.261 5.430 ( -0.000 -6.086 9.941) 11.656 5.459 ( -0.000 -6.071 14.240) 15.480 5.941 ( -0.000 -4.118 10.066) 10.876 6.080 ( -0.000 -7.159 12.109) 14.067 6.236 ( 0.000 1.926 -2.692) 3.310 6.412 ( 0.000 0.238 -0.449) 0.508 6.488 ( 0.000 -0.332 -0.228) 0.402 6.652 ( 0.000 -1.399 -4.593) 4.801 7.170 ( 0.000 -5.969 -0.565) 5.996 7.501 ( 0.000 -8.310 -10.491) 13.384 7.515 ( 0.000 2.080 -16.302) 16.434 7.786 ( 0.000 -13.911 -16.074) 21.258 8.041 ( 0.000 -12.186 -2.404) 12.421 9.314 ( -0.000 12.143 5.753) 13.437 9.361 ( -0.000 17.637 -0.934) 17.662 9.938 ( 0.000 -8.823 4.942) 10.112 10.061 ( 0.000 -11.599 0.916) 11.635 10.122 ( -0.000 2.651 18.091) 18.284 10.689 ( 0.000 3.230 -5.724) 6.572 10.966 ( 0.000 -3.146 -4.366) 5.382 11.142 ( -0.000 8.191 1.664) 8.358 11.574 ( -0.000 19.960 -2.161) 20.077 11.866 ( 0.000 -4.017 -1.549) 4.305 12.275 ( -0.000 5.769 1.419) 5.941 13.293 ( 0.000 6.208 -6.487) 8.979 13.919 ( -0.000 3.994 3.149) 5.086 ======================= Grid point 111 (55/90) ======================= q-point: (-0.47 -0.13 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 15.576 -4.734 -12.515) 20.534 1.908 ( 1.992 -14.513 -15.486) 21.317 2.927 ( -1.836 -2.825 -6.189) 7.047 3.047 ( 19.815 -6.247 -14.058) 25.086 3.462 ( 1.685 -1.528 14.135) 14.317 3.550 ( 3.245 -8.837 -4.935) 10.629 4.041 ( 0.231 3.530 5.607) 6.630 4.300 ( 2.919 -21.715 6.334) 22.808 4.671 ( 7.963 -3.446 10.223) 13.409 4.952 ( 5.590 -5.903 -4.363) 9.226 5.185 ( -1.349 -12.841 11.520) 17.304 5.477 ( 5.500 -0.720 9.681) 11.158 5.712 ( -0.778 -11.202 11.013) 15.728 5.993 ( -7.406 4.994 9.787) 13.251 6.288 ( 2.674 -0.374 -4.061) 4.876 6.400 ( 1.057 1.523 -0.395) 1.895 6.601 ( 11.418 -8.297 -1.412) 14.185 6.720 ( 10.519 -10.083 -6.791) 16.076 7.001 ( 8.237 -6.772 -0.822) 10.695 7.322 ( -1.228 -12.712 -5.477) 13.896 7.441 ( 6.005 -9.183 -19.139) 22.061 7.675 ( -3.258 2.668 -12.355) 13.053 8.000 ( 7.014 -2.441 -6.517) 9.881 9.498 ( -0.539 5.225 4.796) 7.112 9.599 ( -4.355 3.239 -1.040) 5.526 9.733 ( 0.578 2.063 2.962) 3.656 9.920 ( -4.911 -1.684 0.482) 5.214 10.204 ( 0.729 2.805 23.584) 23.761 10.750 ( 1.405 2.069 -5.738) 6.260 10.856 ( -2.708 -3.591 -5.790) 7.331 11.367 ( 2.541 9.654 1.299) 10.067 11.621 ( -5.467 -4.378 1.262) 7.117 12.003 ( -2.096 12.515 -5.265) 13.738 12.322 ( -7.086 6.548 1.384) 9.748 13.407 ( -5.372 9.255 -8.618) 13.740 13.958 ( -4.883 5.095 3.868) 8.047 ======================= Grid point 116 (56/90) ======================= q-point: ( 0.53 -0.13 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -8.843 8.843 4.664) 13.347 2.208 ( -8.501 8.501 6.872) 13.848 2.822 ( -0.915 0.915 3.335) 3.578 3.447 ( 8.107 -8.107 -9.909) 15.153 3.610 ( -1.085 1.085 7.842) 7.991 3.787 ( -11.854 11.854 16.454) 23.490 4.101 ( 2.295 -2.295 8.358) 8.966 4.531 ( 3.672 -3.672 -1.603) 5.434 5.163 ( -13.087 13.087 -1.214) 18.548 5.441 ( -0.749 0.749 -9.579) 9.637 5.896 ( -3.139 3.139 -3.233) 5.492 6.018 ( -4.527 4.527 -8.079) 10.308 6.030 ( -1.572 1.572 -16.104) 16.257 6.033 ( -6.561 6.561 -4.658) 10.382 6.394 ( -5.720 5.720 2.055) 8.346 6.444 ( -2.913 2.913 1.115) 4.268 6.825 ( -1.560 1.560 11.718) 11.924 7.136 ( -7.839 7.839 9.718) 14.742 7.312 ( -7.932 7.932 5.195) 12.362 7.679 ( -12.552 12.552 6.724) 18.982 8.038 ( -12.425 12.425 -5.712) 18.477 8.175 ( -17.748 17.748 -1.585) 25.149 8.503 ( -4.201 4.201 -6.619) 8.894 9.179 ( 2.981 -2.981 3.098) 5.231 9.443 ( 8.464 -8.464 -3.561) 12.488 9.605 ( 0.033 -0.033 1.002) 1.003 9.851 ( -0.477 0.477 -3.746) 3.806 10.315 ( 2.994 -2.994 6.461) 7.725 10.727 ( -1.681 1.681 5.551) 6.039 10.786 ( 0.011 -0.011 -10.747) 10.747 11.241 ( 4.557 -4.557 -0.571) 6.470 11.313 ( 7.075 -7.075 -0.739) 10.032 11.469 ( 8.949 -8.949 3.819) 13.220 11.675 ( 11.453 -11.453 0.199) 16.199 12.970 ( 1.662 -1.662 3.835) 4.498 13.584 ( 8.327 -8.327 -2.483) 12.035 ======================= Grid point 119 (57/90) ======================= q-point: (-0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -6.653 -20.452) 21.507 1.181 ( 0.000 -20.146 -18.579) 27.405 2.156 ( 0.000 -15.097 -28.562) 32.306 2.203 ( 0.000 -11.188 -45.105) 46.472 3.654 ( -0.000 0.336 17.710) 17.713 3.673 ( -0.000 -0.093 15.808) 15.808 4.059 ( -0.000 -12.265 12.897) 17.798 4.316 ( -0.000 8.571 4.735) 9.792 4.776 ( -0.000 1.274 9.631) 9.715 4.812 ( 0.000 1.017 -1.779) 2.049 5.040 ( 0.000 -18.676 9.491) 20.949 5.634 ( -0.000 3.028 7.769) 8.339 5.757 ( -0.000 -6.229 10.761) 12.434 5.951 ( 0.000 -7.769 -8.722) 11.681 6.075 ( 0.000 -12.539 -17.606) 21.615 6.353 ( 0.000 0.819 -3.111) 3.217 6.364 ( -0.000 1.080 -0.030) 1.081 6.451 ( 0.000 -10.667 -13.431) 17.152 6.556 ( -0.000 2.204 8.887) 9.156 7.190 ( -0.000 0.801 10.117) 10.149 7.260 ( -0.000 -4.550 7.089) 8.424 7.662 ( 0.000 2.822 -13.916) 14.200 7.674 ( 0.000 3.541 -7.088) 7.924 9.492 ( 0.000 -0.763 -4.809) 4.869 9.652 ( 0.000 3.129 -9.983) 10.462 9.865 ( -0.000 -5.148 7.010) 8.697 9.923 ( -0.000 -2.123 5.458) 5.856 10.589 ( -0.000 6.873 0.369) 6.883 10.707 ( 0.000 -2.794 -4.914) 5.653 10.772 ( -0.000 -1.268 13.093) 13.154 11.521 ( -0.000 5.755 0.654) 5.792 11.613 ( 0.000 -2.978 0.670) 3.052 12.104 ( 0.000 5.394 -5.504) 7.706 12.533 ( -0.000 4.465 0.781) 4.532 13.559 ( -0.000 13.581 -8.388) 15.962 14.152 ( -0.000 3.147 2.303) 3.899 ======================= Grid point 123 (58/90) ======================= q-point: (-0.26 -0.14 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 5.499 6.959 -1.346) 8.971 2.316 ( 2.895 9.973 -3.475) 10.950 2.888 ( 4.724 -3.819 -3.512) 7.017 3.262 ( -9.210 -8.318 5.971) 13.772 3.643 ( 2.531 1.119 -7.552) 8.043 3.928 ( 0.690 3.144 0.811) 3.319 4.055 ( 1.322 6.601 -16.373) 17.703 4.506 ( 0.154 -9.205 -1.107) 9.272 5.353 ( 4.545 15.732 0.532) 16.384 5.472 ( 2.903 4.603 3.805) 6.640 5.850 ( -8.935 8.783 13.292) 18.266 5.970 ( 2.877 3.467 1.857) 4.873 6.065 ( -2.187 1.996 4.974) 5.788 6.261 ( 5.286 -2.450 0.516) 5.849 6.416 ( -1.621 -0.854 -9.449) 9.625 6.528 ( 5.392 -0.795 6.441) 8.437 6.957 ( 5.871 22.989 1.360) 23.766 7.119 ( -2.063 13.798 -4.710) 14.724 7.606 ( 16.521 3.594 -8.961) 19.135 7.883 ( 6.266 12.465 -2.883) 14.246 8.226 ( 0.582 4.872 4.832) 6.886 8.433 ( -4.894 0.456 7.062) 8.604 8.564 ( 17.515 7.151 1.689) 18.994 9.091 ( -19.121 7.982 3.729) 21.053 9.202 ( 4.244 11.576 -4.193) 13.022 9.608 ( -2.401 -3.926 0.587) 4.639 10.032 ( 9.201 -7.785 -1.779) 12.183 10.274 ( 1.607 -7.959 -5.424) 9.765 10.748 ( -3.161 0.761 -3.403) 4.707 10.773 ( 0.016 1.822 9.174) 9.353 11.056 ( -5.615 0.342 -0.110) 5.626 11.120 ( -10.786 -0.038 -0.936) 10.826 11.386 ( 1.017 -15.793 -0.877) 15.850 11.558 ( -2.105 -16.602 -0.981) 16.764 12.973 ( 1.613 -0.915 -1.244) 2.233 13.440 ( -4.905 -10.548 1.330) 11.709 ======================= Grid point 124 (59/90) ======================= q-point: ( 0.74 -0.14 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -3.854 3.854 -1.897) 5.771 2.496 ( -0.222 0.222 0.643) 0.715 2.912 ( -1.399 1.399 2.668) 3.322 3.016 ( 4.176 -4.176 -3.037) 6.641 3.742 ( -0.848 0.848 -0.284) 1.232 3.818 ( 2.320 -2.320 -7.422) 8.114 4.298 ( 1.502 -1.502 -8.684) 8.940 4.304 ( 1.675 -1.675 -0.759) 2.487 5.591 ( -4.920 4.920 -0.648) 6.988 5.662 ( -2.446 2.446 -0.782) 3.547 5.798 ( -7.881 7.881 7.639) 13.512 5.987 ( -1.103 1.103 7.850) 8.004 6.089 ( -2.572 2.572 -0.194) 3.643 6.176 ( 0.323 -0.323 -4.128) 4.153 6.464 ( -1.049 1.049 -3.295) 3.614 6.547 ( 3.105 -3.105 8.108) 9.221 7.215 ( -14.872 14.872 -9.028) 22.888 7.678 ( -3.899 3.899 6.008) 8.155 7.745 ( -5.431 5.431 9.987) 12.599 7.920 ( 9.453 -9.453 -6.923) 15.056 8.196 ( -2.979 2.979 1.463) 4.459 8.300 ( -1.775 1.775 -1.956) 3.182 8.785 ( -6.935 6.935 5.311) 11.154 9.041 ( 7.705 -7.705 1.258) 10.969 9.530 ( -13.559 13.559 -0.835) 19.193 9.762 ( -5.640 5.640 -0.236) 7.980 9.838 ( -1.779 1.779 -5.077) 5.666 10.108 ( 10.417 -10.417 -3.224) 15.081 10.692 ( -3.031 3.031 -1.042) 4.411 10.856 ( 2.171 -2.171 5.235) 6.069 11.022 ( 3.266 -3.266 0.069) 4.620 11.049 ( 3.329 -3.329 -0.615) 4.748 11.180 ( 4.062 -4.062 -1.802) 6.021 11.298 ( 7.351 -7.351 -0.789) 10.426 13.035 ( -1.865 1.865 2.452) 3.601 13.216 ( 6.503 -6.503 -1.372) 9.298 ======================= Grid point 138 (60/90) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.000 14.759 0.000) 14.759 1.476 ( -0.000 23.280 0.000) 23.280 2.193 ( -0.000 20.412 0.000) 20.412 2.562 ( -0.000 23.294 0.000) 23.294 3.627 ( 0.000 -10.195 -0.000) 10.195 3.921 ( 0.000 -7.898 -0.000) 7.898 4.126 ( 0.000 -5.586 -0.000) 5.586 4.248 ( -0.000 4.741 0.000) 4.741 4.802 ( -0.000 2.077 0.000) 2.077 5.320 ( -0.000 7.694 0.000) 7.694 5.834 ( -0.000 5.945 0.000) 5.945 6.031 ( -0.000 2.361 0.000) 2.361 6.069 ( 0.000 -3.154 -0.000) 3.154 6.104 ( -0.000 11.814 0.000) 11.814 6.286 ( 0.000 -12.101 -0.000) 12.101 6.368 ( 0.000 -5.331 -0.000) 5.331 6.514 ( -0.000 10.932 0.000) 10.932 6.678 ( -0.000 24.218 0.000) 24.218 6.802 ( 0.000 -1.569 -0.000) 1.569 6.817 ( -0.000 18.415 0.000) 18.415 7.447 ( -0.000 5.959 0.000) 5.959 7.575 ( -0.000 11.825 0.000) 11.825 8.080 ( -0.000 13.321 0.000) 13.321 9.264 ( 0.000 -2.706 -0.000) 2.706 9.629 ( 0.000 -17.297 -0.000) 17.297 9.944 ( -0.000 24.097 0.000) 24.097 10.021 ( 0.000 -15.906 -0.000) 15.906 10.286 ( 0.000 -6.313 -0.000) 6.313 10.829 ( -0.000 6.424 0.000) 6.424 11.059 ( 0.000 -1.587 -0.000) 1.587 11.087 ( 0.000 -12.687 -0.000) 12.687 11.357 ( 0.000 -20.658 -0.000) 20.658 11.840 ( -0.000 6.141 0.000) 6.141 12.306 ( 0.000 -6.595 -0.000) 6.595 13.179 ( -0.000 3.900 0.000) 3.900 13.963 ( 0.000 -6.551 -0.000) 6.551 ======================= Grid point 139 (61/90) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 18.044 9.335 0.000) 20.316 1.986 ( 3.958 20.485 0.000) 20.864 2.703 ( 8.719 11.925 0.000) 14.773 2.906 ( 7.306 10.363 0.000) 12.679 3.399 ( -2.407 -7.668 -0.000) 8.037 3.712 ( -1.373 -12.031 -0.000) 12.109 4.101 ( 1.801 -0.021 0.000) 1.801 4.506 ( 9.185 8.466 0.000) 12.492 4.773 ( -6.771 1.724 -0.000) 6.987 5.525 ( 13.482 -3.759 0.000) 13.996 5.900 ( -2.277 -1.986 -0.000) 3.021 5.917 ( -1.390 -15.420 -0.000) 15.482 6.024 ( 3.146 0.857 0.000) 3.260 6.104 ( -1.937 7.347 0.000) 7.598 6.196 ( -2.393 -6.204 -0.000) 6.650 6.375 ( 5.172 9.720 0.000) 11.011 6.575 ( 3.879 -19.069 -0.000) 19.460 6.953 ( 13.457 10.436 0.000) 17.029 7.034 ( 9.465 7.548 0.000) 12.106 7.293 ( 2.001 19.641 0.000) 19.743 7.940 ( 8.838 9.021 0.000) 12.629 7.982 ( 13.640 24.158 0.000) 27.743 8.335 ( 1.263 8.743 0.000) 8.833 9.198 ( -1.690 -1.687 -0.000) 2.388 9.202 ( -3.505 -18.030 -0.000) 18.367 9.694 ( 0.855 -16.256 -0.000) 16.278 10.105 ( -6.170 -4.554 -0.000) 7.668 10.463 ( -3.545 27.152 0.000) 27.382 10.883 ( 0.775 -22.331 -0.000) 22.345 10.889 ( 0.359 -4.927 -0.000) 4.940 10.920 ( -1.942 3.653 0.000) 4.137 11.040 ( 1.357 -3.670 -0.000) 3.913 11.903 ( -6.710 6.476 -0.000) 9.325 12.089 ( -7.081 -7.106 -0.000) 10.031 13.196 ( -5.846 4.940 -0.000) 7.653 13.791 ( -4.721 -5.198 -0.000) 7.021 ======================= Grid point 140 (62/90) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 15.753 5.603 0.000) 16.720 2.403 ( 1.470 11.678 0.000) 11.771 2.826 ( -0.706 1.480 0.000) 1.640 3.180 ( -3.583 -10.672 -0.000) 11.258 3.484 ( -0.323 -1.371 -0.000) 1.408 3.510 ( 16.271 13.131 0.000) 20.908 4.078 ( -4.365 0.104 -0.000) 4.366 4.599 ( -11.037 -0.889 -0.000) 11.073 4.940 ( 23.463 0.704 0.000) 23.474 5.631 ( 2.686 -9.404 -0.000) 9.780 5.722 ( 14.188 -6.106 0.000) 15.446 5.790 ( 1.295 -11.757 -0.000) 11.828 5.900 ( -0.105 -7.973 -0.000) 7.974 6.117 ( 6.627 -20.026 -0.000) 21.094 6.213 ( 0.771 3.418 0.000) 3.504 6.276 ( 1.385 -4.750 -0.000) 4.948 6.865 ( 18.078 12.816 0.000) 22.160 7.415 ( 10.268 7.165 0.000) 12.520 7.444 ( 23.428 -3.394 0.000) 23.672 7.664 ( -4.297 19.395 0.000) 19.865 8.147 ( 7.637 -8.295 0.000) 11.275 8.270 ( 0.959 -21.438 -0.000) 21.459 8.748 ( 15.150 16.754 0.000) 22.588 9.013 ( 2.333 5.894 0.000) 6.338 9.157 ( -2.627 4.148 0.000) 4.910 9.418 ( 1.771 -10.714 -0.000) 10.860 9.853 ( -10.068 -3.947 -0.000) 10.814 10.269 ( -5.744 -23.688 -0.000) 24.375 10.857 ( -1.632 2.384 0.000) 2.889 10.906 ( -1.839 5.687 0.000) 5.977 10.997 ( 0.679 6.913 0.000) 6.946 11.124 ( 0.450 15.592 0.000) 15.598 11.743 ( -12.502 -5.394 -0.000) 13.616 11.825 ( -13.499 6.091 -0.000) 14.809 13.201 ( -5.404 8.042 0.000) 9.690 13.561 ( -9.239 -2.631 -0.000) 9.607 ======================= Grid point 141 (63/90) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -2.554 -3.514 -0.000) 4.344 2.446 ( 3.514 2.554 0.000) 4.344 2.901 ( -2.356 -4.492 -0.000) 5.073 2.901 ( 4.492 2.356 0.000) 5.073 3.655 ( -8.644 -2.603 -0.000) 9.027 3.655 ( 2.603 8.644 0.000) 9.027 4.262 ( -10.218 -7.353 -0.000) 12.589 4.262 ( 7.353 10.218 0.000) 12.589 5.444 ( 3.461 -25.000 -0.000) 25.239 5.444 ( 25.000 -3.461 0.000) 25.239 5.680 ( 1.778 -11.921 -0.000) 12.052 5.680 ( 11.921 -1.778 0.000) 12.052 5.869 ( 8.677 -14.311 -0.000) 16.737 5.869 ( 14.311 -8.677 0.000) 16.737 6.274 ( -1.586 1.121 0.000) 1.942 6.274 ( -1.121 1.586 0.000) 1.942 7.495 ( -4.309 -14.717 -0.000) 15.335 7.495 ( 14.717 4.309 0.000) 15.335 7.742 ( 2.853 -15.700 -0.000) 15.957 7.742 ( 15.700 -2.853 0.000) 15.957 7.986 ( -2.141 -7.935 -0.000) 8.219 7.986 ( 7.935 2.141 0.000) 8.219 9.080 ( 4.671 -5.153 0.000) 6.955 9.080 ( 5.153 -4.671 0.000) 6.955 9.433 ( -14.514 -0.666 -0.000) 14.529 9.433 ( 0.666 14.514 0.000) 14.529 9.673 ( -1.254 -14.158 -0.000) 14.213 9.673 ( 14.158 1.254 0.000) 14.213 10.887 ( -2.102 1.606 0.000) 2.645 10.887 ( -1.606 2.102 0.000) 2.645 11.250 ( -11.538 -1.217 -0.000) 11.602 11.250 ( 1.217 11.538 0.000) 11.602 11.608 ( -16.406 5.990 -0.000) 17.465 11.608 ( -5.990 16.406 0.000) 17.465 13.329 ( -8.693 3.143 0.000) 9.243 13.329 ( -3.143 8.693 0.000) 9.243 ======================= Grid point 148 (64/90) ======================= q-point: ( 0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -0.000 3.766 3.407) 5.078 2.268 ( -0.000 10.755 -6.931) 12.795 2.817 ( -0.000 7.363 -1.985) 7.626 3.065 ( -0.000 1.883 10.886) 11.048 3.333 ( -0.000 -4.574 8.664) 9.797 3.497 ( 0.000 -9.041 3.020) 9.533 4.182 ( -0.000 1.364 13.640) 13.708 4.387 ( 0.000 0.943 -20.007) 20.029 5.085 ( -0.000 6.668 10.909) 12.785 5.296 ( 0.000 -3.548 -1.270) 3.768 5.535 ( 0.000 -13.640 -5.409) 14.674 5.785 ( 0.000 -24.170 -4.693) 24.622 5.893 ( 0.000 -8.460 7.306) 11.178 6.091 ( 0.000 -8.942 5.573) 10.537 6.218 ( 0.000 -0.611 -0.557) 0.827 6.319 ( -0.000 7.862 -0.693) 7.892 6.439 ( -0.000 0.973 4.614) 4.715 6.796 ( 0.000 -4.635 -2.700) 5.364 7.073 ( -0.000 10.342 1.218) 10.414 7.637 ( -0.000 17.682 -12.889) 21.881 7.824 ( 0.000 -7.505 -3.668) 8.354 8.283 ( 0.000 9.824 -11.544) 15.158 8.312 ( 0.000 -13.146 2.668) 13.414 9.044 ( -0.000 3.600 0.748) 3.677 9.059 ( 0.000 5.679 -6.437) 8.584 9.726 ( -0.000 -3.998 22.130) 22.488 10.050 ( 0.000 -3.586 -3.296) 4.870 10.394 ( 0.000 -24.193 3.897) 24.504 10.766 ( 0.000 2.771 -7.274) 7.784 11.007 ( -0.000 0.405 2.022) 2.063 11.028 ( -0.000 5.392 -1.465) 5.588 11.100 ( -0.000 23.531 0.625) 23.540 11.999 ( 0.000 -5.784 -0.935) 5.859 12.129 ( -0.000 5.184 1.701) 5.456 13.301 ( 0.000 4.710 -5.362) 7.137 13.813 ( -0.000 -0.275 2.984) 2.996 ======================= Grid point 149 (65/90) ======================= q-point: (-0.62 -0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 16.337 1.008 -2.468) 16.553 2.372 ( 0.250 -2.215 -13.211) 13.398 2.980 ( -2.130 -4.308 4.490) 6.577 3.164 ( 8.063 -2.157 3.991) 9.252 3.240 ( 6.857 5.385 3.262) 9.309 3.533 ( 11.328 2.622 10.968) 15.985 4.141 ( -6.700 -4.031 -1.729) 8.008 4.435 ( 8.383 -2.229 -4.513) 9.778 4.958 ( -5.737 -17.650 8.862) 20.567 5.180 ( 3.175 -14.938 -1.228) 15.321 5.295 ( 4.753 -10.738 -8.480) 14.485 5.416 ( 8.428 -8.305 6.114) 13.319 5.728 ( -0.289 -6.729 9.411) 11.573 5.831 ( -3.319 -10.641 7.589) 13.485 6.295 ( 0.777 3.468 -1.377) 3.812 6.347 ( -1.574 3.790 0.469) 4.131 6.718 ( 15.830 3.558 0.186) 16.226 6.857 ( 12.446 -4.368 -2.936) 13.513 7.250 ( 7.804 -8.333 0.479) 11.426 7.714 ( 5.490 -5.516 -4.587) 9.034 7.732 ( -1.539 -12.440 -9.073) 15.474 8.078 ( -0.453 0.978 -0.793) 1.338 8.307 ( 4.872 -7.706 -29.535) 30.911 9.214 ( -0.407 10.737 3.358) 11.257 9.358 ( 0.283 17.556 2.146) 17.689 9.664 ( -1.365 -1.886 23.198) 23.315 9.868 ( -0.623 -14.448 4.145) 15.044 9.984 ( -5.645 -6.304 1.264) 8.556 10.842 ( 0.387 2.159 -7.495) 7.809 10.992 ( -3.030 -0.853 -1.826) 3.639 11.129 ( 2.637 8.597 2.184) 9.254 11.567 ( -2.845 15.015 -0.060) 15.282 11.845 ( -4.744 1.660 -1.400) 5.218 12.176 ( -7.219 5.846 0.840) 9.328 13.386 ( -3.610 7.587 -6.928) 10.890 13.781 ( -5.978 3.229 4.381) 8.084 ======================= Grid point 150 (66/90) ======================= q-point: (-0.62 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 8.851 -8.851 -8.991) 15.411 2.187 ( 6.040 -6.040 -9.654) 12.891 2.862 ( -0.643 0.643 1.477) 1.734 3.142 ( -0.849 0.849 14.549) 14.598 3.690 ( 5.261 -5.261 -3.436) 8.195 3.759 ( 1.562 -1.562 -3.276) 3.951 4.041 ( 10.723 -10.723 -0.043) 15.164 4.164 ( 6.811 -6.811 8.263) 12.691 4.806 ( 12.971 -12.971 0.086) 18.344 5.009 ( 6.332 -6.332 9.985) 13.412 5.247 ( 9.012 -9.012 -8.160) 15.134 5.456 ( 4.638 -4.638 3.339) 7.361 5.580 ( 5.953 -5.953 6.736) 10.782 5.703 ( 0.053 -0.053 10.127) 10.128 6.346 ( -1.988 1.988 -1.725) 3.299 6.391 ( -1.804 1.804 0.736) 2.656 6.977 ( 15.433 -15.433 -4.405) 22.266 7.083 ( 16.893 -16.893 -1.400) 23.931 7.209 ( 6.940 -6.940 -0.182) 9.816 7.291 ( 7.741 -7.741 3.185) 11.401 7.843 ( -3.842 3.842 -12.691) 13.805 8.070 ( 3.619 -3.619 -8.624) 10.028 8.299 ( 6.759 -6.759 -25.569) 27.297 9.419 ( -3.147 3.147 0.827) 4.527 9.440 ( -0.294 0.294 10.121) 10.130 9.711 ( 3.473 -3.473 27.270) 27.709 9.729 ( -5.256 5.256 -1.593) 7.601 9.765 ( -5.508 5.508 0.679) 7.819 10.879 ( -1.357 1.357 -5.203) 5.545 10.921 ( 0.309 -0.309 -3.994) 4.018 11.391 ( -3.352 3.352 -0.019) 4.741 11.455 ( -2.480 2.480 2.425) 4.264 11.992 ( -8.771 8.771 -3.662) 12.933 12.094 ( -10.044 10.044 1.848) 14.324 13.443 ( -7.063 7.063 -8.851) 13.346 13.735 ( -6.739 6.739 6.093) 11.311 ======================= Grid point 157 (67/90) ======================= q-point: (-0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 -5.293 -12.834) 13.882 1.888 ( 0.000 -14.825 -16.537) 22.209 2.766 ( 0.000 -4.249 -10.526) 11.352 3.010 ( 0.000 -4.582 -12.981) 13.766 3.411 ( -0.000 -5.878 12.503) 13.816 3.524 ( 0.000 -5.691 2.566) 6.243 4.057 ( -0.000 5.866 1.784) 6.132 4.269 ( 0.000 -25.255 4.242) 25.608 4.547 ( -0.000 -4.143 15.112) 15.670 4.919 ( 0.000 -4.244 -7.763) 8.847 5.216 ( 0.000 -16.645 13.116) 21.192 5.409 ( -0.000 1.554 9.498) 9.624 5.725 ( -0.000 -11.472 11.939) 16.557 6.105 ( -0.000 5.271 13.315) 14.321 6.225 ( 0.000 -4.642 -5.035) 6.848 6.370 ( 0.000 -0.416 -0.435) 0.602 6.501 ( 0.000 0.101 -0.997) 1.002 6.597 ( 0.000 -11.043 -8.780) 14.108 6.911 ( 0.000 -6.863 0.097) 6.863 7.345 ( 0.000 -10.724 -27.110) 29.154 7.372 ( 0.000 -12.383 -0.172) 12.384 7.702 ( 0.000 4.726 -6.748) 8.239 7.928 ( 0.000 -1.500 -12.619) 12.708 9.507 ( -0.000 4.450 4.973) 6.674 9.660 ( -0.000 10.757 -4.505) 11.662 9.713 ( -0.000 -5.315 6.561) 8.444 9.971 ( 0.000 -2.533 -0.381) 2.561 10.194 ( -0.000 3.944 23.622) 23.949 10.735 ( 0.000 1.647 -5.454) 5.697 10.887 ( 0.000 -4.060 -5.512) 6.845 11.339 ( -0.000 9.573 1.493) 9.689 11.679 ( 0.000 -4.391 1.249) 4.565 12.023 ( -0.000 13.193 -5.694) 14.370 12.396 ( -0.000 5.946 1.478) 6.126 13.467 ( -0.000 10.497 -8.035) 13.219 14.012 ( -0.000 4.668 3.595) 5.891 ======================= Grid point 158 (68/90) ======================= q-point: (-0.41 -0.19 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 9.104 -9.104 -16.678) 21.070 1.584 ( 9.955 -9.955 -16.733) 21.868 2.795 ( 15.551 -15.551 -18.417) 28.686 2.929 ( -1.993 1.993 -18.883) 19.092 3.390 ( 4.894 -4.894 -0.227) 6.925 3.404 ( 4.046 -4.046 18.220) 19.097 3.916 ( 12.373 -12.373 13.988) 22.402 4.130 ( -4.982 4.982 7.068) 9.980 4.652 ( 3.057 -3.057 12.083) 12.833 4.883 ( 1.332 -1.332 -5.575) 5.884 4.904 ( 9.441 -9.441 10.749) 17.141 5.484 ( 0.718 -0.718 10.526) 10.574 5.551 ( 3.369 -3.369 10.069) 11.139 6.114 ( -6.058 6.058 10.870) 13.841 6.200 ( 7.904 -7.904 -6.093) 12.730 6.386 ( 5.394 -5.394 -1.538) 7.781 6.458 ( 3.582 -3.582 -0.983) 5.160 6.479 ( 5.729 -5.729 0.170) 8.103 6.968 ( 2.232 -2.232 -16.336) 16.638 7.126 ( 3.933 -3.933 5.258) 7.654 7.249 ( 7.446 -7.446 -19.387) 22.062 7.773 ( -4.049 4.049 -12.050) 13.342 7.928 ( 3.654 -3.654 -5.738) 7.722 9.505 ( 0.062 -0.062 1.148) 1.152 9.685 ( -4.521 4.521 4.235) 7.669 9.831 ( -1.857 1.857 -3.289) 4.209 9.890 ( 0.099 -0.099 -1.062) 1.072 10.250 ( -1.393 1.393 26.897) 26.969 10.790 ( 0.292 -0.292 -6.564) 6.577 10.795 ( 0.207 -0.207 -5.419) 5.427 11.520 ( -2.007 2.007 1.126) 3.054 11.549 ( -0.672 0.672 1.315) 1.622 12.171 ( -4.286 4.286 -5.517) 8.195 12.454 ( -5.205 5.205 1.646) 7.542 13.602 ( -8.243 8.243 -7.899) 14.082 14.054 ( -3.834 3.834 3.659) 6.541 ======================= Grid point 166 (69/90) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 -0.000 -22.952) 22.952 0.915 ( 0.000 -0.000 -22.952) 22.952 1.970 ( 0.000 -0.000 -30.190) 30.190 2.093 ( 0.000 -0.000 -51.207) 51.207 3.668 ( -0.000 0.000 18.621) 18.621 3.668 ( -0.000 0.000 18.621) 18.621 3.915 ( -0.000 0.000 15.102) 15.102 4.448 ( -0.000 0.000 3.722) 3.722 4.796 ( -0.000 0.000 10.007) 10.007 4.796 ( -0.000 0.000 10.007) 10.007 4.829 ( 0.000 -0.000 -1.270) 1.270 5.690 ( -0.000 0.000 10.779) 10.779 5.690 ( -0.000 0.000 10.779) 10.779 5.833 ( 0.000 -0.000 -8.192) 8.192 5.947 ( 0.000 -0.000 -23.969) 23.969 6.340 ( 0.000 -0.000 -14.772) 14.772 6.363 ( 0.000 -0.000 -3.356) 3.356 6.363 ( 0.000 -0.000 -3.356) 3.356 6.582 ( -0.000 0.000 12.232) 12.232 7.201 ( -0.000 0.000 10.909) 10.909 7.201 ( -0.000 0.000 10.909) 10.909 7.712 ( 0.000 -0.000 -7.588) 7.588 7.712 ( 0.000 -0.000 -7.588) 7.588 9.554 ( -0.000 0.000 1.712) 1.712 9.684 ( 0.000 -0.000 -10.690) 10.690 9.684 ( 0.000 -0.000 -10.690) 10.690 9.939 ( -0.000 0.000 7.438) 7.438 10.677 ( 0.000 -0.000 -4.909) 4.909 10.677 ( 0.000 -0.000 -4.909) 4.909 10.743 ( -0.000 0.000 19.212) 19.212 11.582 ( -0.000 0.000 0.749) 0.749 11.582 ( -0.000 0.000 0.749) 0.749 12.154 ( 0.000 -0.000 -5.332) 5.332 12.582 ( -0.000 0.000 0.803) 0.803 13.738 ( 0.000 -0.000 -3.232) 3.232 14.187 ( -0.000 0.000 2.248) 2.248 ======================= Grid point 170 (70/90) ======================= q-point: (-0.20 -0.20 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 4.337 4.337 -0.794) 6.185 2.446 ( 2.833 2.833 -3.975) 5.644 2.870 ( 2.460 2.460 -1.107) 3.650 3.089 ( -7.975 -7.975 3.983) 11.962 3.682 ( 3.355 3.355 -6.385) 7.955 3.881 ( -5.004 -5.004 -1.166) 7.172 4.186 ( 5.143 5.143 -12.332) 14.317 4.370 ( -4.049 -4.049 -1.528) 5.926 5.569 ( 5.303 5.303 -1.857) 7.727 5.608 ( 6.478 6.478 0.122) 9.162 5.973 ( -0.614 -0.614 16.976) 16.998 5.983 ( -1.916 -1.916 8.340) 8.770 6.093 ( 2.006 2.006 -0.589) 2.897 6.189 ( -2.671 -2.671 -3.325) 5.032 6.432 ( 2.683 2.683 -2.426) 4.504 6.518 ( -0.260 -0.260 2.905) 2.929 7.397 ( 17.386 17.386 7.961) 25.845 7.460 ( 6.375 6.375 -13.795) 16.480 7.557 ( 4.739 4.739 -8.407) 10.751 8.071 ( 1.663 1.663 3.736) 4.415 8.222 ( -9.065 -9.065 6.529) 14.386 8.341 ( -0.067 -0.067 2.240) 2.242 8.745 ( 8.903 8.903 1.080) 12.637 9.060 ( -8.227 -8.227 3.447) 12.135 9.508 ( 15.383 15.383 -3.189) 21.987 9.756 ( 5.642 5.642 -1.328) 8.089 9.873 ( -0.028 -0.028 -0.832) 0.833 10.093 ( -9.798 -9.798 -4.311) 14.511 10.781 ( 0.145 0.145 -2.122) 2.132 10.782 ( -0.497 -0.497 7.417) 7.450 11.023 ( -3.780 -3.780 0.159) 5.348 11.059 ( -3.766 -3.766 0.458) 5.346 11.178 ( -2.982 -2.982 -2.092) 4.708 11.283 ( -6.859 -6.859 -2.299) 9.969 13.003 ( 3.452 3.452 -0.871) 4.960 13.243 ( -7.631 -7.631 1.456) 10.889 ======================= Grid point 184 (71/90) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -0.000 10.114 0.000) 10.114 1.943 ( -0.000 21.669 0.000) 21.669 2.562 ( -0.000 15.367 0.000) 15.367 2.862 ( -0.000 7.042 0.000) 7.042 3.427 ( 0.000 -9.082 -0.000) 9.082 3.718 ( 0.000 -11.363 -0.000) 11.363 4.048 ( 0.000 -1.837 -0.000) 1.837 4.447 ( -0.000 12.571 0.000) 12.571 4.849 ( -0.000 2.383 0.000) 2.383 5.375 ( 0.000 -1.682 -0.000) 1.682 5.930 ( 0.000 -16.156 -0.000) 16.156 5.959 ( -0.000 5.084 0.000) 5.084 5.966 ( 0.000 -6.748 -0.000) 6.748 6.145 ( -0.000 8.197 0.000) 8.197 6.230 ( 0.000 -8.091 -0.000) 8.091 6.315 ( -0.000 4.885 0.000) 4.885 6.533 ( 0.000 -18.142 -0.000) 18.142 6.789 ( -0.000 11.973 0.000) 11.973 6.908 ( 0.000 -0.322 -0.000) 0.322 7.286 ( -0.000 24.700 0.000) 24.700 7.836 ( -0.000 28.539 0.000) 28.539 7.844 ( -0.000 9.431 0.000) 9.431 8.325 ( -0.000 8.470 0.000) 8.470 9.220 ( 0.000 -1.153 -0.000) 1.153 9.239 ( 0.000 -18.255 -0.000) 18.255 9.682 ( 0.000 -16.266 -0.000) 16.266 10.173 ( 0.000 -4.639 -0.000) 4.639 10.494 ( -0.000 28.449 0.000) 28.449 10.869 ( 0.000 -6.867 -0.000) 6.867 10.883 ( 0.000 -24.878 -0.000) 24.878 10.956 ( -0.000 5.496 0.000) 5.496 11.021 ( 0.000 -2.051 -0.000) 2.051 11.973 ( -0.000 6.591 0.000) 6.591 12.161 ( 0.000 -7.285 -0.000) 7.285 13.262 ( -0.000 4.249 0.000) 4.249 13.841 ( 0.000 -4.830 -0.000) 4.830 ======================= Grid point 185 (72/90) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 17.590 5.459 0.000) 18.418 2.370 ( 1.454 15.606 0.000) 15.673 2.852 ( -1.030 3.343 0.000) 3.498 3.108 ( 18.131 9.705 0.000) 20.565 3.237 ( -1.901 -8.067 -0.000) 8.288 3.479 ( 0.832 -9.484 -0.000) 9.521 4.106 ( 3.183 0.440 0.000) 3.214 4.655 ( 3.365 3.656 0.000) 4.969 4.805 ( -8.094 0.956 -0.000) 8.150 5.432 ( 11.283 -4.310 0.000) 12.078 5.616 ( 0.286 -12.659 -0.000) 12.662 5.778 ( -0.632 -10.155 -0.000) 10.175 5.878 ( 2.756 -19.418 -0.000) 19.612 6.030 ( 1.006 -15.533 -0.000) 15.566 6.239 ( -3.310 5.559 0.000) 6.470 6.248 ( 1.593 -1.153 0.000) 1.967 6.565 ( 11.364 8.859 0.000) 14.409 7.011 ( 16.574 -5.762 0.000) 17.547 7.178 ( 10.509 10.000 0.000) 14.506 7.740 ( -2.741 20.667 0.000) 20.848 7.952 ( 8.230 -7.689 0.000) 11.263 8.273 ( -0.363 -16.691 -0.000) 16.695 8.500 ( 8.360 21.648 0.000) 23.206 9.019 ( -1.452 2.794 0.000) 3.149 9.217 ( -2.546 4.886 0.000) 5.509 9.385 ( 1.207 -13.247 -0.000) 13.302 10.027 ( -6.105 -3.138 -0.000) 6.864 10.338 ( -1.424 -25.998 -0.000) 26.037 10.862 ( 0.917 4.267 0.000) 4.364 10.951 ( -2.132 3.563 0.000) 4.152 11.017 ( -1.986 3.659 0.000) 4.163 11.106 ( 1.088 22.017 0.000) 22.044 11.942 ( -6.546 -6.780 -0.000) 9.424 12.038 ( -6.939 6.515 -0.000) 9.518 13.312 ( -4.494 6.405 0.000) 7.825 13.718 ( -5.515 -1.612 -0.000) 5.746 ======================= Grid point 186 (73/90) ======================= q-point: (-0.78 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 16.333 3.583 0.000) 16.722 2.510 ( -2.311 -3.334 -0.000) 4.056 2.864 ( -0.513 2.276 0.000) 2.333 2.983 ( -4.495 -6.335 -0.000) 7.768 3.547 ( 7.009 6.913 0.000) 9.845 3.731 ( 10.748 7.115 0.000) 12.889 4.053 ( 3.480 -1.603 0.000) 3.831 4.513 ( -12.352 -9.983 -0.000) 15.882 4.914 ( 21.662 -2.817 0.000) 21.845 5.349 ( 5.624 -28.613 -0.000) 29.160 5.484 ( 5.794 -4.731 0.000) 7.480 5.600 ( 12.629 -5.383 0.000) 13.728 5.665 ( 3.484 -16.170 -0.000) 16.541 5.725 ( 1.871 -9.486 -0.000) 9.669 6.297 ( -1.502 4.365 0.000) 4.616 6.314 ( -1.222 3.129 0.000) 3.359 7.087 ( 19.506 8.844 0.000) 21.417 7.282 ( 24.183 -10.244 0.000) 26.263 7.432 ( 8.876 -9.242 0.000) 12.813 7.738 ( -1.898 -27.287 -0.000) 27.353 7.969 ( 6.095 -3.166 0.000) 6.868 7.989 ( -4.565 9.586 0.000) 10.618 8.914 ( 7.771 2.656 0.000) 8.213 9.086 ( -2.298 -3.502 -0.000) 4.188 9.315 ( 9.981 3.474 0.000) 10.568 9.423 ( -0.317 17.224 0.000) 17.227 9.773 ( -4.374 -21.240 -0.000) 21.686 9.787 ( -11.922 -2.371 -0.000) 12.156 10.926 ( -2.828 2.606 -0.000) 3.846 10.929 ( -1.087 0.076 -0.000) 1.090 11.180 ( 4.027 10.789 0.000) 11.516 11.458 ( -7.709 5.364 -0.000) 9.392 11.734 ( -6.567 10.572 0.000) 12.445 11.947 ( -14.150 5.604 -0.000) 15.219 13.387 ( -3.934 9.908 0.000) 10.661 13.549 ( -10.101 1.323 -0.000) 10.188 ======================= Grid point 195 (74/90) ======================= q-point: (-0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 0.891 -0.895) 1.263 2.371 ( 0.000 -1.920 -14.021) 14.151 2.917 ( 0.000 1.865 -6.905) 7.152 3.045 ( -0.000 -3.159 8.165) 8.755 3.332 ( -0.000 -6.601 9.152) 11.284 3.346 ( -0.000 5.952 12.169) 13.547 4.215 ( -0.000 1.805 12.434) 12.564 4.332 ( 0.000 -5.825 -20.517) 21.328 5.048 ( 0.000 -35.746 -3.844) 35.952 5.142 ( -0.000 -2.421 12.878) 13.103 5.279 ( 0.000 -10.377 -8.124) 13.179 5.283 ( -0.000 -5.225 5.395) 7.511 5.737 ( -0.000 -7.707 10.538) 13.055 5.877 ( -0.000 -8.979 8.797) 12.570 6.274 ( -0.000 3.588 -1.276) 3.808 6.416 ( 0.000 -0.223 -0.027) 0.225 6.486 ( -0.000 2.744 0.277) 2.758 6.734 ( 0.000 0.594 -3.293) 3.346 7.164 ( 0.000 -8.008 0.445) 8.021 7.646 ( 0.000 -2.124 -4.407) 4.892 7.748 ( 0.000 -13.746 -8.285) 16.050 8.089 ( 0.000 1.215 -2.058) 2.390 8.256 ( 0.000 -7.526 -30.907) 31.810 9.223 ( -0.000 10.525 3.609) 11.126 9.355 ( -0.000 17.782 3.064) 18.044 9.676 ( -0.000 -0.901 25.082) 25.098 9.875 ( 0.000 -16.633 1.946) 16.747 10.044 ( 0.000 -4.956 0.689) 5.004 10.835 ( 0.000 2.073 -7.907) 8.174 11.034 ( 0.000 -1.694 -2.536) 3.050 11.094 ( -0.000 8.489 3.450) 9.164 11.595 ( -0.000 17.432 -0.348) 17.435 11.896 ( 0.000 -0.505 -1.375) 1.465 12.251 ( -0.000 5.899 0.987) 5.981 13.425 ( -0.000 7.559 -6.695) 10.098 13.846 ( -0.000 3.277 4.145) 5.284 ======================= Grid point 196 (75/90) ======================= q-point: (-0.57 -0.23 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 16.278 0.258 -7.494) 17.922 2.186 ( -0.065 -14.704 -12.823) 19.510 2.907 ( -2.723 -1.629 3.497) 4.722 3.105 ( 6.809 -3.400 9.331) 12.041 3.326 ( 16.513 -0.249 -2.881) 16.765 3.624 ( 9.561 5.648 2.222) 11.325 4.010 ( -8.868 -7.843 -2.332) 12.066 4.186 ( -1.055 -30.084 4.513) 30.439 4.513 ( 14.461 -4.795 3.306) 15.590 4.955 ( -0.359 -12.140 10.971) 16.366 5.135 ( 2.270 -5.617 -12.618) 13.997 5.337 ( 5.957 -1.144 4.695) 7.670 5.530 ( 0.250 -9.910 7.481) 12.419 5.753 ( -3.950 1.073 14.818) 15.373 6.352 ( 1.895 1.116 -2.565) 3.379 6.402 ( 1.113 1.649 0.237) 2.004 6.626 ( 12.879 -7.744 -0.971) 15.059 6.813 ( 8.806 -16.180 -3.528) 18.756 6.968 ( 9.267 -1.024 2.350) 9.615 7.335 ( -3.029 -17.790 0.254) 18.047 7.820 ( 4.595 7.583 -7.497) 11.611 8.064 ( -2.260 -4.676 -17.181) 17.949 8.167 ( 4.942 -5.770 -26.673) 27.734 9.407 ( -0.516 7.169 4.158) 8.303 9.545 ( -4.399 -1.571 9.143) 10.268 9.660 ( 1.979 -2.393 25.867) 26.053 9.736 ( 0.021 10.188 0.397) 10.196 9.935 ( -5.824 -1.165 -1.091) 6.039 10.870 ( 1.113 1.214 -5.592) 5.829 10.952 ( -2.152 -2.660 -3.818) 5.127 11.337 ( 3.051 10.073 1.596) 10.645 11.595 ( -5.648 -4.408 1.230) 7.270 12.088 ( -2.504 13.433 -3.506) 14.107 12.294 ( -7.024 5.687 1.421) 9.149 13.566 ( -4.422 9.451 -7.872) 13.071 13.871 ( -5.536 5.010 5.186) 9.091 ======================= Grid point 204 (76/90) ======================= q-point: (-0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 -2.936 -18.146) 18.382 1.534 ( 0.000 -16.956 -18.154) 24.841 2.592 ( 0.000 -11.748 -17.833) 21.355 2.969 ( 0.000 0.551 -29.586) 29.591 3.305 ( -0.000 -2.862 18.079) 18.304 3.383 ( -0.000 -7.117 9.382) 11.776 3.789 ( 0.000 -16.778 14.850) 22.406 4.209 ( -0.000 8.659 6.204) 10.652 4.556 ( -0.000 1.729 12.729) 12.846 4.837 ( 0.000 -17.984 11.105) 21.136 4.880 ( 0.000 -0.136 -5.861) 5.862 5.452 ( -0.000 2.158 10.180) 10.406 5.543 ( -0.000 -6.040 11.168) 12.697 6.085 ( 0.000 -7.580 -6.272) 9.838 6.218 ( -0.000 5.199 15.533) 16.380 6.289 ( 0.000 -12.086 -4.663) 12.954 6.391 ( 0.000 1.259 -1.402) 1.885 6.466 ( 0.000 -3.406 0.233) 3.414 6.919 ( 0.000 3.125 -15.377) 15.692 7.136 ( 0.000 -8.876 4.997) 10.186 7.143 ( 0.000 -7.909 -21.962) 23.342 7.812 ( 0.000 4.371 -6.987) 8.242 7.889 ( 0.000 -2.305 -9.679) 9.949 9.514 ( -0.000 0.111 0.997) 1.003 9.745 ( -0.000 3.755 6.998) 7.942 9.813 ( 0.000 4.491 -6.716) 8.079 9.909 ( 0.000 -3.418 -3.148) 4.647 10.263 ( -0.000 2.300 27.702) 27.798 10.767 ( 0.000 1.398 -5.890) 6.053 10.813 ( 0.000 -2.725 -5.930) 6.526 11.502 ( -0.000 5.713 1.311) 5.861 11.595 ( 0.000 -3.044 1.173) 3.262 12.212 ( 0.000 5.140 -5.648) 7.637 12.510 ( -0.000 4.430 1.690) 4.741 13.695 ( -0.000 10.001 -6.486) 11.920 14.098 ( -0.000 3.303 3.413) 4.749 ======================= Grid point 231 (77/90) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 5.440 0.000) 5.440 2.353 ( -0.000 16.995 0.000) 16.995 2.836 ( -0.000 11.264 0.000) 11.264 2.926 ( -0.000 0.514 0.000) 0.514 3.257 ( 0.000 -6.766 -0.000) 6.766 3.465 ( 0.000 -12.713 -0.000) 12.713 4.045 ( -0.000 1.257 0.000) 1.257 4.659 ( -0.000 5.424 0.000) 5.424 4.896 ( -0.000 1.997 0.000) 1.997 5.302 ( 0.000 -4.253 -0.000) 4.253 5.616 ( 0.000 -12.910 -0.000) 12.910 5.794 ( 0.000 -9.636 -0.000) 9.636 5.837 ( 0.000 -26.130 -0.000) 26.130 6.032 ( 0.000 -10.945 -0.000) 10.945 6.224 ( 0.000 -1.549 -0.000) 1.549 6.324 ( -0.000 7.916 0.000) 7.916 6.400 ( -0.000 3.895 0.000) 3.895 6.828 ( 0.000 -5.162 -0.000) 5.162 7.056 ( -0.000 12.140 0.000) 12.140 7.770 ( -0.000 20.887 0.000) 20.887 7.862 ( 0.000 -7.582 -0.000) 7.582 8.277 ( 0.000 -15.483 -0.000) 15.483 8.412 ( -0.000 23.684 0.000) 23.684 9.038 ( -0.000 1.592 0.000) 1.592 9.245 ( -0.000 4.789 0.000) 4.789 9.372 ( 0.000 -13.317 -0.000) 13.317 10.092 ( 0.000 -3.273 -0.000) 3.273 10.349 ( 0.000 -25.924 -0.000) 25.924 10.848 ( -0.000 4.932 0.000) 4.932 10.977 ( 0.000 -2.134 -0.000) 2.134 11.042 ( -0.000 2.556 0.000) 2.556 11.092 ( -0.000 28.324 0.000) 28.324 12.010 ( 0.000 -7.073 -0.000) 7.073 12.110 ( -0.000 6.593 0.000) 6.593 13.362 ( -0.000 5.615 0.000) 5.615 13.777 ( 0.000 -1.137 -0.000) 1.137 ======================= Grid point 232 (78/90) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 17.704 3.254 0.000) 18.001 2.543 ( -0.977 -1.501 -0.000) 1.791 2.887 ( -1.434 0.615 -0.000) 1.561 3.085 ( -5.415 -6.055 -0.000) 8.122 3.286 ( 22.251 6.943 0.000) 23.309 3.381 ( 8.527 1.945 0.000) 8.746 4.102 ( -1.096 -1.471 -0.000) 1.835 4.628 ( 5.081 -5.135 0.000) 7.224 4.758 ( -10.958 -9.821 -0.000) 14.715 5.210 ( 7.642 -32.375 -0.000) 33.265 5.352 ( 10.077 -3.826 0.000) 10.779 5.434 ( 0.363 -4.400 -0.000) 4.415 5.593 ( 1.647 -10.721 -0.000) 10.847 5.753 ( -2.336 -12.328 -0.000) 12.547 6.311 ( 1.429 4.023 0.000) 4.270 6.340 ( -2.848 4.054 0.000) 4.955 6.713 ( 16.420 3.249 0.000) 16.738 6.887 ( 12.219 -3.490 0.000) 12.707 7.244 ( 7.635 -8.875 0.000) 11.707 7.744 ( 3.188 -12.062 -0.000) 12.476 7.839 ( 2.865 -14.952 -0.000) 15.225 8.075 ( -3.127 10.389 0.000) 10.850 8.782 ( 4.570 6.483 0.000) 7.932 9.132 ( -1.146 -6.007 -0.000) 6.115 9.195 ( 2.090 5.855 0.000) 6.217 9.441 ( -1.046 15.266 0.000) 15.301 9.838 ( -1.924 -20.567 -0.000) 20.657 9.974 ( -6.074 -1.911 -0.000) 6.368 10.938 ( -0.023 -1.054 -0.000) 1.055 10.991 ( -3.041 3.683 -0.000) 4.776 11.103 ( 3.175 7.786 0.000) 8.409 11.566 ( -3.078 13.699 0.000) 14.040 11.859 ( -4.748 3.189 -0.000) 5.719 12.168 ( -7.088 5.927 -0.000) 9.240 13.467 ( -3.211 8.739 0.000) 9.310 13.726 ( -6.403 2.176 -0.000) 6.763 ======================= Grid point 234 (79/90) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -2.754 -16.734 -0.000) 16.959 2.278 ( 16.734 2.754 0.000) 16.959 2.915 ( -0.914 -0.177 0.000) 0.931 2.915 ( 0.177 0.914 0.000) 0.931 3.732 ( -7.654 -5.930 -0.000) 9.683 3.732 ( 5.930 7.654 0.000) 9.683 4.082 ( -3.909 -28.126 -0.000) 28.397 4.082 ( 28.126 3.909 0.000) 28.397 4.851 ( 4.195 -16.959 -0.000) 17.470 4.851 ( 16.959 -4.195 0.000) 17.470 5.424 ( 2.934 -5.695 0.000) 6.406 5.424 ( 5.695 -2.934 0.000) 6.406 5.519 ( 3.306 -8.524 -0.000) 9.143 5.519 ( 8.524 -3.306 0.000) 9.143 6.373 ( -2.344 2.339 0.000) 3.311 6.373 ( -2.339 2.344 0.000) 3.311 7.054 ( 11.935 -22.727 -0.000) 25.671 7.054 ( 22.727 -11.935 0.000) 25.671 7.238 ( -5.689 -18.908 -0.000) 19.745 7.238 ( 18.908 5.689 0.000) 19.745 8.031 ( -3.799 -2.610 0.000) 4.609 8.031 ( 2.610 3.799 0.000) 4.609 8.960 ( 1.860 -2.761 0.000) 3.329 8.960 ( 2.761 -1.860 0.000) 3.329 9.443 ( -5.438 -7.656 -0.000) 9.390 9.443 ( 7.656 5.438 0.000) 9.390 9.754 ( -12.473 -0.798 -0.000) 12.498 9.754 ( 0.798 12.473 0.000) 12.498 10.946 ( -1.215 0.102 0.000) 1.219 10.946 ( -0.102 1.215 0.000) 1.219 11.410 ( -10.168 -4.592 -0.000) 11.157 11.410 ( 4.592 10.168 0.000) 11.157 12.052 ( -13.991 4.994 -0.000) 14.856 12.052 ( -4.994 13.991 0.000) 14.856 13.603 ( -8.382 5.485 0.000) 10.017 13.603 ( -5.485 8.382 0.000) 10.017 ======================= Grid point 243 (80/90) ======================= q-point: (-0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 0.615 -6.485) 6.515 2.186 ( 0.000 -14.715 -14.060) 20.352 2.904 ( 0.000 -2.217 -5.428) 5.863 2.989 ( -0.000 -1.916 8.614) 8.824 3.205 ( -0.000 -6.807 9.194) 11.439 3.518 ( -0.000 9.016 2.562) 9.373 4.182 ( 0.000 -7.208 -13.619) 15.409 4.193 ( 0.000 -32.210 3.255) 32.374 4.284 ( -0.000 -5.188 11.157) 12.304 4.967 ( -0.000 -13.562 12.399) 18.376 5.123 ( 0.000 -4.859 -13.650) 14.489 5.262 ( -0.000 0.737 5.485) 5.534 5.531 ( 0.000 -10.213 7.702) 12.792 5.809 ( -0.000 0.873 17.256) 17.278 6.301 ( 0.000 -4.083 -3.013) 5.074 6.371 ( -0.000 0.669 0.342) 0.751 6.520 ( 0.000 -0.083 -0.781) 0.785 6.719 ( 0.000 -15.039 -4.633) 15.737 6.869 ( -0.000 -2.791 2.673) 3.865 7.368 ( 0.000 -17.909 0.161) 17.909 7.760 ( -0.000 8.387 -5.390) 9.970 8.090 ( 0.000 -7.431 -40.404) 41.081 8.119 ( 0.000 -2.071 -6.958) 7.260 9.417 ( -0.000 7.277 3.823) 8.220 9.615 ( 0.000 -5.869 3.513) 6.840 9.615 ( -0.000 3.644 31.141) 31.354 9.736 ( -0.000 9.199 1.351) 9.298 9.994 ( 0.000 -1.413 -1.320) 1.933 10.857 ( 0.000 0.742 -5.826) 5.873 10.978 ( 0.000 -3.298 -3.656) 4.924 11.303 ( -0.000 10.171 1.969) 10.360 11.655 ( 0.000 -4.274 1.112) 4.416 12.114 ( -0.000 13.746 -3.643) 14.221 12.367 ( -0.000 5.316 1.435) 5.506 13.613 ( -0.000 10.233 -7.045) 12.424 13.933 ( -0.000 4.690 4.551) 6.535 ======================= Grid point 244 (81/90) ======================= q-point: (-0.51 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 7.231 -7.231 -12.416) 16.086 1.862 ( 8.265 -8.265 -11.369) 16.306 2.908 ( -1.174 1.174 7.928) 8.100 3.010 ( 6.999 -6.999 4.966) 11.073 3.163 ( 13.104 -13.104 -3.969) 18.953 3.628 ( 11.786 -11.786 7.408) 18.240 3.696 ( 3.424 -3.424 -10.079) 11.182 3.989 ( -5.230 5.230 7.074) 10.235 4.473 ( 4.701 -4.701 4.521) 8.039 4.696 ( 8.834 -8.834 10.674) 16.432 5.071 ( 0.908 -0.908 -14.389) 14.446 5.327 ( 1.542 -1.542 5.425) 5.847 5.378 ( 3.581 -3.581 7.378) 8.949 5.809 ( -3.480 3.480 19.517) 20.128 6.302 ( 6.996 -6.996 -4.484) 10.862 6.395 ( 5.074 -5.074 0.517) 7.194 6.478 ( 3.991 -3.991 -1.044) 5.739 6.491 ( 6.401 -6.401 -0.611) 9.074 7.022 ( 2.919 -2.919 0.455) 4.153 7.053 ( 4.151 -4.151 2.532) 6.393 7.949 ( -1.348 1.348 -6.530) 6.803 7.958 ( 1.766 -1.766 -27.141) 27.255 8.050 ( 4.272 -4.272 -22.046) 22.859 9.481 ( -1.543 1.543 0.933) 2.374 9.579 ( -3.558 3.558 5.322) 7.323 9.642 ( 0.192 -0.192 36.179) 36.180 9.903 ( -2.853 2.853 -3.027) 5.044 9.925 ( -2.078 2.078 -1.559) 3.327 10.897 ( 0.218 -0.218 -4.531) 4.542 10.901 ( 0.547 -0.547 -4.571) 4.636 11.500 ( -1.814 1.814 0.879) 2.711 11.519 ( -0.906 0.906 1.652) 2.091 12.270 ( -4.516 4.516 -4.806) 7.993 12.413 ( -5.048 5.048 2.678) 7.625 13.743 ( -6.586 6.586 -7.010) 11.658 13.972 ( -4.356 4.356 4.929) 7.890 ======================= Grid point 252 (82/90) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 -0.000 -20.151) 20.151 1.327 ( 0.000 -0.000 -20.151) 20.151 2.431 ( 0.000 -0.000 -19.221) 19.221 2.991 ( 0.000 -0.000 -42.617) 42.617 3.290 ( -0.000 0.000 20.250) 20.250 3.290 ( -0.000 0.000 20.250) 20.250 3.610 ( -0.000 0.000 16.567) 16.567 4.364 ( -0.000 0.000 5.151) 5.151 4.577 ( -0.000 0.000 12.280) 12.280 4.577 ( -0.000 0.000 12.280) 12.280 4.886 ( 0.000 -0.000 -5.387) 5.387 5.479 ( -0.000 0.000 11.023) 11.023 5.479 ( -0.000 0.000 11.023) 11.023 5.983 ( 0.000 -0.000 -7.299) 7.299 6.172 ( 0.000 -0.000 -3.782) 3.782 6.291 ( -0.000 0.000 18.404) 18.404 6.406 ( 0.000 -0.000 -1.485) 1.485 6.406 ( 0.000 -0.000 -1.485) 1.485 6.974 ( 0.000 -0.000 -46.186) 46.186 7.040 ( -0.000 0.000 6.006) 6.006 7.040 ( -0.000 0.000 6.006) 6.006 7.859 ( 0.000 -0.000 -7.380) 7.380 7.859 ( 0.000 -0.000 -7.380) 7.380 9.527 ( -0.000 0.000 0.949) 0.949 9.792 ( -0.000 0.000 7.673) 7.673 9.858 ( 0.000 -0.000 -7.382) 7.382 9.858 ( 0.000 -0.000 -7.382) 7.382 10.286 ( -0.000 0.000 28.984) 28.984 10.784 ( 0.000 -0.000 -6.012) 6.012 10.784 ( 0.000 -0.000 -6.012) 6.012 11.563 ( -0.000 0.000 1.259) 1.259 11.563 ( -0.000 0.000 1.259) 1.259 12.261 ( 0.000 -0.000 -5.669) 5.669 12.558 ( -0.000 0.000 1.730) 1.730 13.811 ( 0.000 -0.000 -4.294) 4.294 14.136 ( -0.000 0.000 3.189) 3.189 ======================= Grid point 279 (83/90) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.000 3.337 0.000) 3.337 2.553 ( 0.000 -0.691 -0.000) 0.691 2.915 ( 0.000 -1.341 -0.000) 1.341 3.021 ( -0.000 6.253 0.000) 6.253 3.207 ( 0.000 -11.941 -0.000) 11.941 3.222 ( -0.000 5.914 0.000) 5.914 4.087 ( -0.000 2.696 0.000) 2.696 4.616 ( 0.000 -8.974 -0.000) 8.974 4.915 ( 0.000 -0.894 -0.000) 0.894 5.086 ( 0.000 -42.187 -0.000) 42.187 5.230 ( 0.000 -2.311 -0.000) 2.311 5.438 ( 0.000 -4.305 -0.000) 4.305 5.582 ( 0.000 -10.213 -0.000) 10.213 5.784 ( 0.000 -12.604 -0.000) 12.604 6.286 ( -0.000 4.152 0.000) 4.152 6.416 ( 0.000 -0.331 -0.000) 0.331 6.482 ( -0.000 3.708 0.000) 3.708 6.766 ( -0.000 0.555 0.000) 0.555 7.160 ( 0.000 -8.013 -0.000) 8.013 7.685 ( 0.000 -1.987 -0.000) 1.987 7.828 ( 0.000 -24.032 -0.000) 24.032 8.108 ( -0.000 10.748 0.000) 10.748 8.734 ( -0.000 7.834 0.000) 7.834 9.135 ( 0.000 -9.681 -0.000) 9.681 9.187 ( -0.000 9.625 0.000) 9.625 9.453 ( -0.000 14.340 0.000) 14.340 9.857 ( 0.000 -20.005 -0.000) 20.005 10.037 ( 0.000 -1.975 -0.000) 1.975 10.937 ( 0.000 -1.513 -0.000) 1.513 11.036 ( -0.000 11.763 0.000) 11.763 11.058 ( 0.000 -0.963 -0.000) 0.963 11.597 ( -0.000 16.229 0.000) 16.229 11.910 ( -0.000 1.030 0.000) 1.030 12.241 ( -0.000 5.950 0.000) 5.950 13.503 ( -0.000 8.194 0.000) 8.194 13.795 ( -0.000 2.670 0.000) 2.670 ======================= Grid point 281 (84/90) ======================= q-point: (-0.67 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 17.355 3.086 0.000) 17.627 2.328 ( -1.844 -16.466 -0.000) 16.569 2.884 ( 1.114 -0.885 0.000) 1.423 2.962 ( -1.899 -6.005 -0.000) 6.298 3.379 ( 25.891 1.901 0.000) 25.961 3.564 ( 7.781 13.334 0.000) 15.439 4.021 ( -9.937 -6.407 -0.000) 11.823 4.154 ( -2.168 -40.152 -0.000) 40.211 4.527 ( 12.762 -2.945 0.000) 13.098 4.816 ( 0.689 -12.766 -0.000) 12.785 5.295 ( 7.062 -1.247 0.000) 7.171 5.397 ( 0.716 -0.079 0.000) 0.720 5.409 ( 0.085 -6.185 -0.000) 6.185 5.519 ( -1.427 -9.540 -0.000) 9.646 6.385 ( 1.070 2.853 0.000) 3.047 6.391 ( 1.543 0.528 0.000) 1.631 6.635 ( 13.544 -7.168 0.000) 15.324 6.852 ( 7.442 -23.102 -0.000) 24.271 6.939 ( 9.991 4.963 0.000) 11.156 7.333 ( -3.205 -19.001 -0.000) 19.270 7.885 ( 7.077 7.520 0.000) 10.326 8.141 ( -4.102 -3.332 -0.000) 5.285 8.854 ( 3.619 1.603 0.000) 3.958 8.973 ( 0.157 -6.558 -0.000) 6.560 9.372 ( 0.070 7.969 0.000) 7.969 9.547 ( -3.432 -6.837 -0.000) 7.650 9.746 ( 0.046 12.443 0.000) 12.443 9.946 ( -6.029 -0.839 -0.000) 6.087 10.930 ( 0.908 0.271 0.000) 0.948 10.989 ( -2.092 -1.941 -0.000) 2.854 11.319 ( 3.500 10.540 0.000) 11.106 11.582 ( -5.829 -4.523 -0.000) 7.378 12.125 ( -2.483 14.607 0.000) 14.817 12.278 ( -7.138 4.555 -0.000) 8.468 13.670 ( -2.647 10.429 0.000) 10.760 13.793 ( -7.181 3.906 -0.000) 8.175 ======================= Grid point 292 (85/90) ======================= q-point: (-0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 0.846 -11.778) 11.808 1.845 ( 0.000 -15.655 -13.650) 20.771 2.847 ( 0.000 -4.229 -7.385) 8.510 2.957 ( -0.000 -1.302 12.644) 12.710 3.023 ( 0.000 -9.440 8.269) 12.549 3.518 ( 0.000 -22.565 12.953) 26.019 3.655 ( 0.000 3.075 -18.703) 18.954 4.117 ( -0.000 2.778 1.742) 3.279 4.334 ( -0.000 2.808 9.444) 9.853 4.637 ( 0.000 -16.791 9.278) 19.184 5.069 ( 0.000 -0.738 -14.621) 14.639 5.286 ( -0.000 1.219 6.519) 6.632 5.364 ( -0.000 -5.771 7.029) 9.095 5.856 ( -0.000 2.798 21.683) 21.863 6.184 ( 0.000 -5.679 -3.910) 6.895 6.333 ( 0.000 -13.111 -0.822) 13.136 6.415 ( 0.000 0.457 -1.044) 1.139 6.477 ( 0.000 -3.496 -0.734) 3.572 6.929 ( -0.000 3.157 1.744) 3.607 7.071 ( 0.000 -10.206 2.035) 10.406 7.903 ( 0.000 4.328 -14.454) 15.088 7.972 ( 0.000 -3.274 -37.930) 38.071 8.029 ( 0.000 -4.755 -5.028) 6.920 9.501 ( -0.000 2.058 -0.147) 2.063 9.621 ( -0.000 3.238 5.639) 6.503 9.641 ( -0.000 0.479 37.476) 37.479 9.906 ( -0.000 5.481 -3.099) 6.297 9.971 ( 0.000 -0.887 -2.569) 2.718 10.876 ( 0.000 0.948 -4.737) 4.831 10.914 ( 0.000 -2.450 -4.216) 4.876 11.475 ( -0.000 5.930 1.355) 6.083 11.571 ( 0.000 -3.130 1.151) 3.335 12.312 ( -0.000 5.408 -4.818) 7.243 12.468 ( -0.000 4.129 2.644) 4.903 13.813 ( -0.000 7.798 -5.873) 9.762 14.024 ( -0.000 3.712 4.346) 5.716 ======================= Grid point 328 (86/90) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.000 3.658 0.000) 3.658 2.348 ( 0.000 -16.109 -0.000) 16.109 2.874 ( 0.000 -2.597 -0.000) 2.597 2.984 ( 0.000 -9.263 -0.000) 9.263 3.085 ( -0.000 0.031 0.000) 0.031 3.473 ( -0.000 15.672 0.000) 15.672 4.157 ( -0.000 3.947 0.000) 3.947 4.174 ( 0.000 -44.081 -0.000) 44.081 4.369 ( 0.000 -12.864 -0.000) 12.864 4.812 ( 0.000 -9.995 -0.000) 9.995 5.209 ( -0.000 0.144 0.000) 0.144 5.401 ( 0.000 -0.047 -0.000) 0.047 5.410 ( 0.000 -5.926 -0.000) 5.926 5.542 ( 0.000 -9.665 -0.000) 9.665 6.335 ( 0.000 -5.818 -0.000) 5.818 6.363 ( -0.000 3.064 0.000) 3.064 6.528 ( -0.000 0.088 0.000) 0.088 6.773 ( 0.000 -23.054 -0.000) 23.054 6.833 ( -0.000 4.432 0.000) 4.432 7.367 ( 0.000 -19.408 -0.000) 19.408 7.804 ( -0.000 8.727 0.000) 8.727 8.185 ( 0.000 -2.782 -0.000) 2.782 8.816 ( -0.000 1.667 0.000) 1.667 8.969 ( 0.000 -6.329 -0.000) 6.329 9.379 ( -0.000 8.340 0.000) 8.340 9.582 ( 0.000 -6.161 -0.000) 6.161 9.747 ( -0.000 12.316 0.000) 12.316 10.008 ( 0.000 -0.925 -0.000) 0.925 10.919 ( 0.000 -0.242 -0.000) 0.242 11.014 ( 0.000 -2.866 -0.000) 2.866 11.280 ( -0.000 10.892 0.000) 10.892 11.643 ( 0.000 -4.289 -0.000) 4.289 12.151 ( -0.000 14.535 0.000) 14.535 12.351 ( -0.000 4.533 0.000) 4.533 13.699 ( -0.000 10.360 0.000) 10.360 13.872 ( -0.000 4.305 0.000) 4.305 ======================= Grid point 330 (87/90) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -2.396 -16.260 -0.000) 16.435 1.962 ( 16.260 2.396 0.000) 16.435 2.855 ( 2.459 -3.052 0.000) 3.920 2.855 ( 3.052 -2.459 0.000) 3.920 3.379 ( 4.971 -25.846 -0.000) 26.319 3.379 ( 25.846 -4.971 0.000) 26.319 3.876 ( -13.517 -4.950 -0.000) 14.395 3.876 ( 4.950 13.517 0.000) 14.395 4.515 ( 1.278 -13.400 -0.000) 13.461 4.515 ( 13.400 -1.278 0.000) 13.461 5.289 ( 0.022 -5.472 -0.000) 5.472 5.289 ( 5.472 -0.022 0.000) 5.472 5.416 ( -0.543 0.422 0.000) 0.688 5.416 ( -0.422 0.543 0.000) 0.688 6.367 ( 2.707 -9.036 -0.000) 9.432 6.367 ( 9.036 -2.707 0.000) 9.432 6.493 ( 4.576 -5.760 0.000) 7.356 6.493 ( 5.760 -4.576 0.000) 7.356 7.023 ( -2.788 -10.466 -0.000) 10.831 7.023 ( 10.466 2.788 0.000) 10.831 8.023 ( -4.897 -5.613 -0.000) 7.449 8.023 ( 5.613 4.897 0.000) 7.449 8.870 ( 1.495 -1.642 0.000) 2.220 8.870 ( 1.642 -1.495 0.000) 2.220 9.503 ( -3.689 1.457 0.000) 3.966 9.503 ( -1.457 3.689 0.000) 3.966 9.936 ( -5.840 -0.170 -0.000) 5.843 9.936 ( 0.170 5.840 0.000) 5.843 10.945 ( -0.945 -1.839 -0.000) 2.068 10.945 ( 1.839 0.945 0.000) 2.068 11.495 ( -5.995 -3.215 -0.000) 6.803 11.495 ( 3.215 5.995 0.000) 6.803 12.352 ( -6.015 3.578 0.000) 6.998 12.352 ( -3.578 6.015 0.000) 6.998 13.867 ( -6.166 4.374 0.000) 7.560 13.867 ( -4.374 6.166 0.000) 7.560 ======================= Grid point 342 (88/90) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 -0.000 -13.980) 13.980 1.659 ( 0.000 -0.000 -13.980) 13.980 2.741 ( 0.000 -0.000 -14.559) 14.559 2.941 ( -0.000 0.000 15.145) 15.145 2.941 ( -0.000 0.000 15.145) 15.145 3.300 ( -0.000 0.000 15.876) 15.876 3.672 ( 0.000 -0.000 -28.165) 28.165 4.248 ( -0.000 0.000 7.353) 7.353 4.366 ( -0.000 0.000 8.911) 8.911 4.366 ( -0.000 0.000 8.911) 8.911 5.068 ( 0.000 -0.000 -14.614) 14.614 5.301 ( -0.000 0.000 6.985) 6.985 5.301 ( -0.000 0.000 6.985) 6.985 5.891 ( -0.000 0.000 23.254) 23.254 6.102 ( 0.000 -0.000 -5.158) 5.158 6.202 ( -0.000 0.000 0.024) 0.024 6.428 ( 0.000 -0.000 -0.849) 0.849 6.428 ( 0.000 -0.000 -0.849) 0.849 6.963 ( -0.000 0.000 2.385) 2.385 6.963 ( -0.000 0.000 2.385) 2.385 7.912 ( 0.000 -0.000 -50.486) 50.486 7.974 ( 0.000 -0.000 -4.396) 4.396 7.974 ( 0.000 -0.000 -4.396) 4.396 9.526 ( 0.000 -0.000 -0.959) 0.959 9.646 ( -0.000 0.000 38.376) 38.376 9.660 ( -0.000 0.000 6.068) 6.068 9.961 ( 0.000 -0.000 -3.464) 3.464 9.961 ( 0.000 -0.000 -3.464) 3.464 10.887 ( 0.000 -0.000 -4.380) 4.380 10.887 ( 0.000 -0.000 -4.380) 4.380 11.538 ( -0.000 0.000 1.209) 1.209 11.538 ( -0.000 0.000 1.209) 1.209 12.363 ( 0.000 -0.000 -5.042) 5.042 12.515 ( -0.000 0.000 2.850) 2.850 13.897 ( 0.000 -0.000 -4.719) 4.719 14.067 ( -0.000 0.000 3.981) 3.981 ======================= Grid point 380 (89/90) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.000 3.293 0.000) 3.293 1.992 ( 0.000 -15.826 -0.000) 15.826 2.814 ( 0.000 -2.755 -0.000) 2.755 2.834 ( 0.000 -5.050 -0.000) 5.050 3.047 ( 0.000 -2.721 -0.000) 2.721 3.362 ( 0.000 -31.326 -0.000) 31.326 3.807 ( -0.000 15.907 0.000) 15.907 4.144 ( 0.000 -7.991 -0.000) 7.991 4.238 ( -0.000 3.369 0.000) 3.369 4.529 ( 0.000 -15.604 -0.000) 15.604 5.223 ( -0.000 0.809 0.000) 0.809 5.294 ( 0.000 -5.389 -0.000) 5.389 5.419 ( -0.000 1.392 0.000) 1.392 5.439 ( 0.000 -0.871 -0.000) 0.871 6.223 ( 0.000 -4.270 -0.000) 4.270 6.338 ( 0.000 -13.585 -0.000) 13.585 6.426 ( 0.000 -0.359 -0.000) 0.359 6.484 ( 0.000 -3.516 -0.000) 3.516 6.912 ( -0.000 2.796 0.000) 2.796 7.053 ( 0.000 -10.581 -0.000) 10.581 7.959 ( -0.000 5.526 0.000) 5.526 8.077 ( 0.000 -5.362 -0.000) 5.362 8.835 ( -0.000 0.433 0.000) 0.433 8.871 ( 0.000 -3.150 -0.000) 3.150 9.517 ( -0.000 4.771 0.000) 4.771 9.550 ( -0.000 1.059 0.000) 1.059 9.935 ( -0.000 5.792 0.000) 5.792 9.996 ( 0.000 -0.318 -0.000) 0.318 10.924 ( -0.000 0.564 0.000) 0.564 10.957 ( 0.000 -2.264 -0.000) 2.264 11.460 ( -0.000 6.123 0.000) 6.123 11.559 ( 0.000 -3.177 -0.000) 3.177 12.378 ( -0.000 7.097 0.000) 7.097 12.424 ( -0.000 2.446 0.000) 2.446 13.899 ( -0.000 7.873 0.000) 7.873 13.953 ( -0.000 3.066 0.000) 3.066 ======================= Grid point 431 (90/90) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 -0.000 -0.000) 0.000 1.806 ( 0.000 -0.000 -0.000) 0.000 2.781 ( 0.000 -0.000 -0.000) 0.000 2.781 ( 0.000 -0.000 -0.000) 0.000 3.012 ( 0.000 -0.000 -14.491) 14.491 3.012 ( -0.000 0.000 14.491) 14.491 4.059 ( 0.000 -0.000 -13.748) 13.748 4.059 ( -0.000 0.000 13.748) 13.748 4.276 ( 0.000 -0.000 -0.000) 0.000 4.276 ( 0.000 -0.000 -0.000) 0.000 5.232 ( 0.000 -0.000 -0.000) 0.000 5.232 ( 0.000 -0.000 -0.000) 0.000 5.438 ( 0.000 -0.000 -23.247) 23.247 5.438 ( -0.000 0.000 23.247) 23.247 6.176 ( 0.000 -0.000 -2.620) 2.620 6.176 ( -0.000 0.000 2.620) 2.620 6.436 ( 0.000 -0.000 -0.000) 0.000 6.436 ( 0.000 -0.000 -0.000) 0.000 6.941 ( 0.000 -0.000 -0.000) 0.000 6.941 ( 0.000 -0.000 -0.000) 0.000 8.017 ( 0.000 -0.000 -0.000) 0.000 8.017 ( 0.000 -0.000 -0.000) 0.000 8.839 ( 0.000 -0.000 -46.274) 46.274 8.839 ( -0.000 0.000 46.274) 46.274 9.568 ( 0.000 -0.000 -3.539) 3.539 9.568 ( -0.000 0.000 3.539) 3.539 9.993 ( 0.000 -0.000 -0.000) 0.000 9.993 ( 0.000 -0.000 -0.000) 0.000 10.932 ( 0.000 -0.000 -0.000) 0.000 10.932 ( 0.000 -0.000 -0.000) 0.000 11.525 ( 0.000 -0.000 -0.000) 0.000 11.525 ( 0.000 -0.000 -0.000) 0.000 12.450 ( 0.000 -0.000 -4.004) 4.004 12.450 ( -0.000 0.000 4.004) 4.004 13.986 ( 0.000 -0.000 -4.550) 4.550 13.986 ( -0.000 0.000 4.550) 4.550 =================== 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 3/29160 10.0 1928.914 1928.914 2900.204 0.000 -0.000 0.000 3/29160 20.0 490.701 490.701 715.375 0.000 -0.000 0.000 3/29160 30.0 182.132 182.132 254.750 0.000 -0.000 0.000 3/29160 40.0 84.015 84.015 120.096 0.000 -0.000 0.000 3/29160 50.0 46.634 46.634 67.728 0.000 -0.000 0.000 3/29160 60.0 29.757 29.757 43.179 0.000 -0.000 0.000 3/29160 70.0 20.980 20.980 30.116 0.000 -0.000 0.000 3/29160 80.0 15.886 15.886 22.469 0.000 -0.000 0.000 3/29160 90.0 12.669 12.669 17.641 0.000 -0.000 0.000 3/29160 100.0 10.499 10.499 14.401 0.000 -0.000 0.000 3/29160 110.0 8.956 8.956 12.116 0.000 -0.000 0.000 3/29160 120.0 7.811 7.811 10.437 0.000 -0.000 0.000 3/29160 130.0 6.932 6.932 9.160 0.000 -0.000 0.000 3/29160 140.0 6.237 6.237 8.161 0.000 -0.000 0.000 3/29160 150.0 5.675 5.675 7.361 0.000 -0.000 0.000 3/29160 160.0 5.210 5.210 6.706 0.000 -0.000 0.000 3/29160 170.0 4.820 4.820 6.162 0.000 -0.000 0.000 3/29160 180.0 4.487 4.487 5.702 0.000 -0.000 0.000 3/29160 190.0 4.200 4.200 5.308 0.000 -0.000 0.000 3/29160 200.0 3.950 3.950 4.967 0.000 -0.000 0.000 3/29160 210.0 3.729 3.729 4.669 0.000 -0.000 0.000 3/29160 220.0 3.533 3.533 4.406 0.000 -0.000 0.000 3/29160 230.0 3.357 3.357 4.173 0.000 -0.000 0.000 3/29160 240.0 3.199 3.199 3.964 0.000 -0.000 0.000 3/29160 250.0 3.056 3.056 3.776 0.000 -0.000 0.000 3/29160 260.0 2.926 2.926 3.605 0.000 -0.000 0.000 3/29160 270.0 2.807 2.807 3.450 0.000 -0.000 0.000 3/29160 280.0 2.697 2.697 3.309 0.000 -0.000 0.000 3/29160 290.0 2.596 2.596 3.179 0.000 -0.000 0.000 3/29160 300.0 2.503 2.503 3.059 0.000 -0.000 0.000 3/29160 310.0 2.416 2.416 2.948 0.000 -0.000 0.000 3/29160 320.0 2.336 2.336 2.845 0.000 -0.000 0.000 3/29160 330.0 2.260 2.260 2.750 0.000 -0.000 0.000 3/29160 340.0 2.190 2.190 2.661 0.000 -0.000 0.000 3/29160 350.0 2.124 2.124 2.577 0.000 -0.000 0.000 3/29160 360.0 2.062 2.062 2.499 0.000 -0.000 0.000 3/29160 370.0 2.003 2.003 2.426 0.000 -0.000 0.000 3/29160 380.0 1.948 1.948 2.357 0.000 -0.000 0.000 3/29160 390.0 1.896 1.896 2.291 0.000 -0.000 0.000 3/29160 400.0 1.846 1.846 2.230 0.000 -0.000 0.000 3/29160 410.0 1.799 1.799 2.172 0.000 -0.000 0.000 3/29160 420.0 1.755 1.755 2.117 0.000 -0.000 0.000 3/29160 430.0 1.713 1.713 2.064 0.000 -0.000 0.000 3/29160 440.0 1.672 1.672 2.014 0.000 -0.000 0.000 3/29160 450.0 1.634 1.634 1.967 0.000 -0.000 0.000 3/29160 460.0 1.597 1.597 1.922 0.000 -0.000 0.000 3/29160 470.0 1.562 1.562 1.879 0.000 -0.000 0.000 3/29160 480.0 1.529 1.529 1.838 0.000 -0.000 0.000 3/29160 490.0 1.497 1.497 1.798 0.000 -0.000 0.000 3/29160 500.0 1.466 1.466 1.761 0.000 -0.000 0.000 3/29160 510.0 1.437 1.437 1.725 0.000 -0.000 0.000 3/29160 520.0 1.408 1.408 1.690 0.000 -0.000 0.000 3/29160 530.0 1.381 1.381 1.657 0.000 -0.000 0.000 3/29160 540.0 1.355 1.355 1.625 0.000 -0.000 0.000 3/29160 550.0 1.330 1.330 1.594 0.000 -0.000 0.000 3/29160 560.0 1.306 1.306 1.565 0.000 -0.000 0.000 3/29160 570.0 1.282 1.282 1.536 0.000 -0.000 0.000 3/29160 580.0 1.260 1.260 1.509 0.000 -0.000 0.000 3/29160 590.0 1.238 1.238 1.482 0.000 -0.000 0.000 3/29160 600.0 1.217 1.217 1.457 0.000 -0.000 0.000 3/29160 610.0 1.197 1.197 1.432 0.000 -0.000 0.000 3/29160 620.0 1.177 1.177 1.408 0.000 -0.000 0.000 3/29160 630.0 1.158 1.158 1.385 0.000 -0.000 0.000 3/29160 640.0 1.140 1.140 1.363 0.000 -0.000 0.000 3/29160 650.0 1.122 1.122 1.341 0.000 -0.000 0.000 3/29160 660.0 1.105 1.105 1.321 0.000 -0.000 0.000 3/29160 670.0 1.088 1.088 1.300 0.000 -0.000 0.000 3/29160 680.0 1.072 1.072 1.281 0.000 -0.000 0.000 3/29160 690.0 1.056 1.056 1.262 0.000 -0.000 0.000 3/29160 700.0 1.041 1.041 1.243 0.000 -0.000 0.000 3/29160 710.0 1.026 1.026 1.225 0.000 -0.000 0.000 3/29160 720.0 1.012 1.012 1.208 0.000 -0.000 0.000 3/29160 730.0 0.998 0.998 1.191 0.000 -0.000 0.000 3/29160 740.0 0.984 0.984 1.175 0.000 -0.000 0.000 3/29160 750.0 0.971 0.971 1.159 0.000 -0.000 0.000 3/29160 760.0 0.958 0.958 1.143 0.000 -0.000 0.000 3/29160 770.0 0.945 0.945 1.128 0.000 -0.000 0.000 3/29160 780.0 0.933 0.933 1.113 0.000 -0.000 0.000 3/29160 790.0 0.921 0.921 1.099 0.000 -0.000 0.000 3/29160 800.0 0.909 0.909 1.085 0.000 -0.000 0.000 3/29160 810.0 0.898 0.898 1.071 0.000 -0.000 0.000 3/29160 820.0 0.887 0.887 1.058 0.000 -0.000 0.000 3/29160 830.0 0.876 0.876 1.045 0.000 -0.000 0.000 3/29160 840.0 0.866 0.866 1.032 0.000 -0.000 0.000 3/29160 850.0 0.855 0.855 1.020 0.000 -0.000 0.000 3/29160 860.0 0.845 0.845 1.008 0.000 -0.000 0.000 3/29160 870.0 0.836 0.836 0.996 0.000 -0.000 0.000 3/29160 880.0 0.826 0.826 0.985 0.000 -0.000 0.000 3/29160 890.0 0.817 0.817 0.973 0.000 -0.000 0.000 3/29160 900.0 0.808 0.808 0.962 0.000 -0.000 0.000 3/29160 910.0 0.799 0.799 0.952 0.000 -0.000 0.000 3/29160 920.0 0.790 0.790 0.941 0.000 -0.000 0.000 3/29160 930.0 0.781 0.781 0.931 0.000 -0.000 0.000 3/29160 940.0 0.773 0.773 0.921 0.000 -0.000 0.000 3/29160 950.0 0.765 0.765 0.911 0.000 -0.000 0.000 3/29160 960.0 0.757 0.757 0.902 0.000 -0.000 0.000 3/29160 970.0 0.749 0.749 0.892 0.000 -0.000 0.000 3/29160 980.0 0.741 0.741 0.883 0.000 -0.000 0.000 3/29160 990.0 0.734 0.734 0.874 0.000 -0.000 0.000 3/29160 1000.0 0.726 0.726 0.865 0.000 -0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m1990.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:35:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|