----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:54:19]------------------------- 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: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.680613310000000 -5.529447960000000 0.000000000000000 b 1.680613310000000 5.529447960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): *1 Ba 0.88693858329072 0.11306141670928 0.75000000000000 137.327 2 Ba 0.11306141670928 0.88693858329072 0.25000000000000 137.327 *3 Tm 0.63439870870655 0.36560129129345 0.93001383799191 168.934 4 Tm 0.63439870870655 0.36560129129345 0.56998616200809 168.934 5 Tm 0.36560129129345 0.63439870870655 0.06998616200809 168.934 6 Tm 0.36560129129345 0.63439870870655 0.43001383799191 168.934 *7 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 *9 O 0.56604720308072 0.43395279691928 0.75000000000000 15.999 *10 O 0.74005271623185 0.25994728376815 0.10079126494103 15.999 11 O 0.74005271623185 0.25994728376815 0.39920873505897 15.999 12 O 0.43395279691928 0.56604720308072 0.25000000000000 15.999 13 O 0.25994728376815 0.74005271623185 0.89920873505897 15.999 14 O 0.25994728376815 0.74005271623185 0.60079126494103 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.361226620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058895919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): *1 Ba 0.00000000000000 0.11306141670928 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.38693858329072 0.25000000000000 137.327 > 2 3 Ba 0.50000000000000 0.61306141670928 0.75000000000000 137.327 > 1 4 Ba 0.00000000000000 0.88693858329072 0.25000000000000 137.327 > 2 *5 Tm 0.00000000000000 0.36560129129345 0.93001383799191 168.934 > 3 6 Tm 0.00000000000000 0.36560129129345 0.56998616200809 168.934 > 4 7 Tm 0.50000000000000 0.13439870870655 0.06998616200809 168.934 > 5 8 Tm 0.50000000000000 0.13439870870655 0.43001383799191 168.934 > 6 9 Tm 0.50000000000000 0.86560129129345 0.93001383799191 168.934 > 3 10 Tm 0.50000000000000 0.86560129129345 0.56998616200809 168.934 > 4 11 Tm 0.00000000000000 0.63439870870655 0.06998616200809 168.934 > 5 12 Tm 0.00000000000000 0.63439870870655 0.43001383799191 168.934 > 6 *13 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 7 14 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 8 *15 O 0.00000000000000 0.43395279691928 0.75000000000000 15.999 > 9 *16 O 0.00000000000000 0.25994728376815 0.10079126494103 15.999 > 10 17 O 0.00000000000000 0.25994728376815 0.39920873505897 15.999 > 11 18 O 0.50000000000000 0.06604720308072 0.25000000000000 15.999 > 12 19 O 0.50000000000000 0.24005271623185 0.89920873505897 15.999 > 13 20 O 0.50000000000000 0.24005271623185 0.60079126494103 15.999 > 14 21 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 7 22 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 8 23 O 0.50000000000000 0.93395279691928 0.75000000000000 15.999 > 9 24 O 0.50000000000000 0.75994728376815 0.10079126494103 15.999 > 10 25 O 0.50000000000000 0.75994728376815 0.39920873505897 15.999 > 11 26 O 0.00000000000000 0.56604720308072 0.25000000000000 15.999 > 12 27 O 0.00000000000000 0.74005271623185 0.89920873505897 15.999 > 13 28 O 0.00000000000000 0.74005271623185 0.60079126494103 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.444906480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058895919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): *1 Ba 0.00000000000000 0.11306141670928 0.75000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11306141670928 0.75000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11306141670928 0.75000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11306141670928 0.75000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38693858329072 0.25000000000000 137.327 > 2 6 Ba 0.37500000000000 0.38693858329072 0.25000000000000 137.327 > 2 7 Ba 0.62500000000000 0.38693858329072 0.25000000000000 137.327 > 2 8 Ba 0.87500000000000 0.38693858329072 0.25000000000000 137.327 > 2 9 Ba 0.12500000000000 0.61306141670928 0.75000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61306141670928 0.75000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61306141670928 0.75000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61306141670928 0.75000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88693858329072 0.25000000000000 137.327 > 2 14 Ba 0.25000000000000 0.88693858329072 0.25000000000000 137.327 > 2 15 Ba 0.50000000000000 0.88693858329072 0.25000000000000 137.327 > 2 16 Ba 0.75000000000000 0.88693858329072 0.25000000000000 137.327 > 2 *17 Tm 0.00000000000000 0.36560129129345 0.93001383799191 168.934 > 3 18 Tm 0.25000000000000 0.36560129129345 0.93001383799191 168.934 > 3 19 Tm 0.50000000000000 0.36560129129345 0.93001383799191 168.934 > 3 20 Tm 0.75000000000000 0.36560129129345 0.93001383799191 168.934 > 3 21 Tm 0.00000000000000 0.36560129129345 0.56998616200809 168.934 > 4 22 Tm 0.25000000000000 0.36560129129345 0.56998616200809 168.934 > 4 23 Tm 0.50000000000000 0.36560129129345 0.56998616200809 168.934 > 4 24 Tm 0.75000000000000 0.36560129129345 0.56998616200809 168.934 > 4 25 Tm 0.12500000000000 0.13439870870655 0.06998616200809 168.934 > 5 26 Tm 0.37500000000000 0.13439870870655 0.06998616200809 168.934 > 5 27 Tm 0.62500000000000 0.13439870870655 0.06998616200809 168.934 > 5 28 Tm 0.87500000000000 0.13439870870655 0.06998616200809 168.934 > 5 29 Tm 0.12500000000000 0.13439870870655 0.43001383799191 168.934 > 6 30 Tm 0.37500000000000 0.13439870870655 0.43001383799191 168.934 > 6 31 Tm 0.62500000000000 0.13439870870655 0.43001383799191 168.934 > 6 32 Tm 0.87500000000000 0.13439870870655 0.43001383799191 168.934 > 6 33 Tm 0.12500000000000 0.86560129129345 0.93001383799191 168.934 > 3 34 Tm 0.37500000000000 0.86560129129345 0.93001383799191 168.934 > 3 35 Tm 0.62500000000000 0.86560129129345 0.93001383799191 168.934 > 3 36 Tm 0.87500000000000 0.86560129129345 0.93001383799191 168.934 > 3 37 Tm 0.12500000000000 0.86560129129345 0.56998616200809 168.934 > 4 38 Tm 0.37500000000000 0.86560129129345 0.56998616200809 168.934 > 4 39 Tm 0.62500000000000 0.86560129129345 0.56998616200809 168.934 > 4 40 Tm 0.87500000000000 0.86560129129345 0.56998616200809 168.934 > 4 41 Tm 0.00000000000000 0.63439870870655 0.06998616200809 168.934 > 5 42 Tm 0.25000000000000 0.63439870870655 0.06998616200809 168.934 > 5 43 Tm 0.50000000000000 0.63439870870655 0.06998616200809 168.934 > 5 44 Tm 0.75000000000000 0.63439870870655 0.06998616200809 168.934 > 5 45 Tm 0.00000000000000 0.63439870870655 0.43001383799191 168.934 > 6 46 Tm 0.25000000000000 0.63439870870655 0.43001383799191 168.934 > 6 47 Tm 0.50000000000000 0.63439870870655 0.43001383799191 168.934 > 6 48 Tm 0.75000000000000 0.63439870870655 0.43001383799191 168.934 > 6 *49 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 7 50 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 7 51 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 7 52 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 7 53 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 8 54 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 8 55 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 8 56 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 8 *57 O 0.00000000000000 0.43395279691928 0.75000000000000 15.999 > 9 58 O 0.25000000000000 0.43395279691928 0.75000000000000 15.999 > 9 59 O 0.50000000000000 0.43395279691928 0.75000000000000 15.999 > 9 60 O 0.75000000000000 0.43395279691928 0.75000000000000 15.999 > 9 *61 O 0.00000000000000 0.25994728376815 0.10079126494103 15.999 > 10 62 O 0.25000000000000 0.25994728376815 0.10079126494103 15.999 > 10 63 O 0.50000000000000 0.25994728376815 0.10079126494103 15.999 > 10 64 O 0.75000000000000 0.25994728376815 0.10079126494103 15.999 > 10 65 O 0.00000000000000 0.25994728376815 0.39920873505897 15.999 > 11 66 O 0.25000000000000 0.25994728376815 0.39920873505897 15.999 > 11 67 O 0.50000000000000 0.25994728376815 0.39920873505897 15.999 > 11 68 O 0.75000000000000 0.25994728376815 0.39920873505897 15.999 > 11 69 O 0.12500000000000 0.06604720308072 0.25000000000000 15.999 > 12 70 O 0.37500000000000 0.06604720308072 0.25000000000000 15.999 > 12 71 O 0.62500000000000 0.06604720308072 0.25000000000000 15.999 > 12 72 O 0.87500000000000 0.06604720308072 0.25000000000000 15.999 > 12 73 O 0.12500000000000 0.24005271623185 0.89920873505897 15.999 > 13 74 O 0.37500000000000 0.24005271623185 0.89920873505897 15.999 > 13 75 O 0.62500000000000 0.24005271623185 0.89920873505897 15.999 > 13 76 O 0.87500000000000 0.24005271623185 0.89920873505897 15.999 > 13 77 O 0.12500000000000 0.24005271623185 0.60079126494103 15.999 > 14 78 O 0.37500000000000 0.24005271623185 0.60079126494103 15.999 > 14 79 O 0.62500000000000 0.24005271623185 0.60079126494103 15.999 > 14 80 O 0.87500000000000 0.24005271623185 0.60079126494103 15.999 > 14 81 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 7 82 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 7 83 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 7 84 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 7 85 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 8 86 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 8 87 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 8 88 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 8 89 O 0.12500000000000 0.93395279691928 0.75000000000000 15.999 > 9 90 O 0.37500000000000 0.93395279691928 0.75000000000000 15.999 > 9 91 O 0.62500000000000 0.93395279691928 0.75000000000000 15.999 > 9 92 O 0.87500000000000 0.93395279691928 0.75000000000000 15.999 > 9 93 O 0.12500000000000 0.75994728376815 0.10079126494103 15.999 > 10 94 O 0.37500000000000 0.75994728376815 0.10079126494103 15.999 > 10 95 O 0.62500000000000 0.75994728376815 0.10079126494103 15.999 > 10 96 O 0.87500000000000 0.75994728376815 0.10079126494103 15.999 > 10 97 O 0.12500000000000 0.75994728376815 0.39920873505897 15.999 > 11 98 O 0.37500000000000 0.75994728376815 0.39920873505897 15.999 > 11 99 O 0.62500000000000 0.75994728376815 0.39920873505897 15.999 > 11 100 O 0.87500000000000 0.75994728376815 0.39920873505897 15.999 > 11 101 O 0.00000000000000 0.56604720308072 0.25000000000000 15.999 > 12 102 O 0.25000000000000 0.56604720308072 0.25000000000000 15.999 > 12 103 O 0.50000000000000 0.56604720308072 0.25000000000000 15.999 > 12 104 O 0.75000000000000 0.56604720308072 0.25000000000000 15.999 > 12 105 O 0.00000000000000 0.74005271623185 0.89920873505897 15.999 > 13 106 O 0.25000000000000 0.74005271623185 0.89920873505897 15.999 > 13 107 O 0.50000000000000 0.74005271623185 0.89920873505897 15.999 > 13 108 O 0.75000000000000 0.74005271623185 0.89920873505897 15.999 > 13 109 O 0.00000000000000 0.74005271623185 0.60079126494103 15.999 > 14 110 O 0.25000000000000 0.74005271623185 0.60079126494103 15.999 > 14 111 O 0.50000000000000 0.74005271623185 0.60079126494103 15.999 > 14 112 O 0.75000000000000 0.74005271623185 0.60079126494103 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5245267 0.0000000 0.0000000 0.0000000 4.3880247 0.0000000 0.0000000 0.0000000 4.1874920 -------------------------- Born effective charges -------------------------- 1 Ba 2.6901851 0.0000000 0.0000000 0.0000000 2.9100016 0.0000000 0.0000000 0.0000000 2.4739294 2 Ba 2.6901851 0.0000000 0.0000000 0.0000000 2.9100016 0.0000000 0.0000000 0.0000000 2.4739294 3 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 -0.3933790 0.0000000 -0.3811668 3.6519868 4 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 0.3933790 0.0000000 0.3811668 3.6519868 5 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 -0.3933790 0.0000000 -0.3811668 3.6519868 6 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 0.3933790 0.0000000 0.3811668 3.6519868 7 O -3.0116759 0.0000000 0.0000000 0.0000000 -2.6111692 0.4494591 0.0000000 0.4177918 -1.9669024 8 O -3.0116759 0.0000000 0.0000000 0.0000000 -2.6111692 -0.4494591 0.0000000 -0.4177918 -1.9669024 9 O -1.9456727 0.0000000 0.0000000 0.0000000 -2.5721235 0.0000000 0.0000000 0.0000000 -3.2966160 10 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 -0.1103527 0.0000000 -0.0130495 -2.2571923 11 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 0.1103527 0.0000000 0.0130495 -2.2571923 12 O -1.9456727 0.0000000 0.0000000 0.0000000 -2.5721235 0.0000000 0.0000000 0.0000000 -3.2966160 13 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 -0.1103527 0.0000000 -0.0130495 -2.2571923 14 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 0.1103527 0.0000000 0.0130495 -2.2571923 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1028 Number of blocks in projector: 1028 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (1028, 1007), data: False |-- (132, 132), data: True |-- (156, 156), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (230, 224), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.051 Solver_block: 200 / 240 - Time: 1.072 Solver_block: 240 / 240 - Time: 0.500 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.660 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1028 Number of blocks in projector: 1028 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (1028, 1007), data: False |-- (132, 132), data: True |-- (156, 156), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (230, 224), 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 22:54:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:54:32]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.680613310000000 -5.529447960000000 0.000000000000000 b 1.680613310000000 5.529447960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): 1 Ba 0.88693858329072 0.11306141670928 0.75000000000000 137.327 2 Ba 0.11306141670928 0.88693858329072 0.25000000000000 137.327 3 Tm 0.63439870870655 0.36560129129345 0.93001383799191 168.934 4 Tm 0.63439870870655 0.36560129129345 0.56998616200809 168.934 5 Tm 0.36560129129345 0.63439870870655 0.06998616200809 168.934 6 Tm 0.36560129129345 0.63439870870655 0.43001383799191 168.934 7 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 9 O 0.56604720308072 0.43395279691928 0.75000000000000 15.999 10 O 0.74005271623185 0.25994728376815 0.10079126494103 15.999 11 O 0.74005271623185 0.25994728376815 0.39920873505897 15.999 12 O 0.43395279691928 0.56604720308072 0.25000000000000 15.999 13 O 0.25994728376815 0.74005271623185 0.89920873505897 15.999 14 O 0.25994728376815 0.74005271623185 0.60079126494103 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.444906480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058895919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): 1 Ba 0.00000000000000 0.11306141670928 0.75000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11306141670928 0.75000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11306141670928 0.75000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11306141670928 0.75000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38693858329072 0.25000000000000 137.327 > 5 6 Ba 0.37500000000000 0.38693858329072 0.25000000000000 137.327 > 5 7 Ba 0.62500000000000 0.38693858329072 0.25000000000000 137.327 > 5 8 Ba 0.87500000000000 0.38693858329072 0.25000000000000 137.327 > 5 9 Ba 0.12500000000000 0.61306141670928 0.75000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61306141670928 0.75000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61306141670928 0.75000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61306141670928 0.75000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88693858329072 0.25000000000000 137.327 > 5 14 Ba 0.25000000000000 0.88693858329072 0.25000000000000 137.327 > 5 15 Ba 0.50000000000000 0.88693858329072 0.25000000000000 137.327 > 5 16 Ba 0.75000000000000 0.88693858329072 0.25000000000000 137.327 > 5 17 Tm 0.00000000000000 0.36560129129345 0.93001383799191 168.934 > 17 18 Tm 0.25000000000000 0.36560129129345 0.93001383799191 168.934 > 17 19 Tm 0.50000000000000 0.36560129129345 0.93001383799191 168.934 > 17 20 Tm 0.75000000000000 0.36560129129345 0.93001383799191 168.934 > 17 21 Tm 0.00000000000000 0.36560129129345 0.56998616200809 168.934 > 21 22 Tm 0.25000000000000 0.36560129129345 0.56998616200809 168.934 > 21 23 Tm 0.50000000000000 0.36560129129345 0.56998616200809 168.934 > 21 24 Tm 0.75000000000000 0.36560129129345 0.56998616200809 168.934 > 21 25 Tm 0.12500000000000 0.13439870870655 0.06998616200809 168.934 > 25 26 Tm 0.37500000000000 0.13439870870655 0.06998616200809 168.934 > 25 27 Tm 0.62500000000000 0.13439870870655 0.06998616200809 168.934 > 25 28 Tm 0.87500000000000 0.13439870870655 0.06998616200809 168.934 > 25 29 Tm 0.12500000000000 0.13439870870655 0.43001383799191 168.934 > 29 30 Tm 0.37500000000000 0.13439870870655 0.43001383799191 168.934 > 29 31 Tm 0.62500000000000 0.13439870870655 0.43001383799191 168.934 > 29 32 Tm 0.87500000000000 0.13439870870655 0.43001383799191 168.934 > 29 33 Tm 0.12500000000000 0.86560129129345 0.93001383799191 168.934 > 17 34 Tm 0.37500000000000 0.86560129129345 0.93001383799191 168.934 > 17 35 Tm 0.62500000000000 0.86560129129345 0.93001383799191 168.934 > 17 36 Tm 0.87500000000000 0.86560129129345 0.93001383799191 168.934 > 17 37 Tm 0.12500000000000 0.86560129129345 0.56998616200809 168.934 > 21 38 Tm 0.37500000000000 0.86560129129345 0.56998616200809 168.934 > 21 39 Tm 0.62500000000000 0.86560129129345 0.56998616200809 168.934 > 21 40 Tm 0.87500000000000 0.86560129129345 0.56998616200809 168.934 > 21 41 Tm 0.00000000000000 0.63439870870655 0.06998616200809 168.934 > 25 42 Tm 0.25000000000000 0.63439870870655 0.06998616200809 168.934 > 25 43 Tm 0.50000000000000 0.63439870870655 0.06998616200809 168.934 > 25 44 Tm 0.75000000000000 0.63439870870655 0.06998616200809 168.934 > 25 45 Tm 0.00000000000000 0.63439870870655 0.43001383799191 168.934 > 29 46 Tm 0.25000000000000 0.63439870870655 0.43001383799191 168.934 > 29 47 Tm 0.50000000000000 0.63439870870655 0.43001383799191 168.934 > 29 48 Tm 0.75000000000000 0.63439870870655 0.43001383799191 168.934 > 29 49 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 49 50 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 49 51 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 49 52 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 53 54 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 53 55 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 53 56 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 53 57 O 0.00000000000000 0.43395279691928 0.75000000000000 15.999 > 57 58 O 0.25000000000000 0.43395279691928 0.75000000000000 15.999 > 57 59 O 0.50000000000000 0.43395279691928 0.75000000000000 15.999 > 57 60 O 0.75000000000000 0.43395279691928 0.75000000000000 15.999 > 57 61 O 0.00000000000000 0.25994728376815 0.10079126494103 15.999 > 61 62 O 0.25000000000000 0.25994728376815 0.10079126494103 15.999 > 61 63 O 0.50000000000000 0.25994728376815 0.10079126494103 15.999 > 61 64 O 0.75000000000000 0.25994728376815 0.10079126494103 15.999 > 61 65 O 0.00000000000000 0.25994728376815 0.39920873505897 15.999 > 65 66 O 0.25000000000000 0.25994728376815 0.39920873505897 15.999 > 65 67 O 0.50000000000000 0.25994728376815 0.39920873505897 15.999 > 65 68 O 0.75000000000000 0.25994728376815 0.39920873505897 15.999 > 65 69 O 0.12500000000000 0.06604720308072 0.25000000000000 15.999 > 69 70 O 0.37500000000000 0.06604720308072 0.25000000000000 15.999 > 69 71 O 0.62500000000000 0.06604720308072 0.25000000000000 15.999 > 69 72 O 0.87500000000000 0.06604720308072 0.25000000000000 15.999 > 69 73 O 0.12500000000000 0.24005271623185 0.89920873505897 15.999 > 73 74 O 0.37500000000000 0.24005271623185 0.89920873505897 15.999 > 73 75 O 0.62500000000000 0.24005271623185 0.89920873505897 15.999 > 73 76 O 0.87500000000000 0.24005271623185 0.89920873505897 15.999 > 73 77 O 0.12500000000000 0.24005271623185 0.60079126494103 15.999 > 77 78 O 0.37500000000000 0.24005271623185 0.60079126494103 15.999 > 77 79 O 0.62500000000000 0.24005271623185 0.60079126494103 15.999 > 77 80 O 0.87500000000000 0.24005271623185 0.60079126494103 15.999 > 77 81 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 49 82 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 49 83 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 49 84 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 49 85 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 53 86 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 53 87 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 53 88 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 53 89 O 0.12500000000000 0.93395279691928 0.75000000000000 15.999 > 57 90 O 0.37500000000000 0.93395279691928 0.75000000000000 15.999 > 57 91 O 0.62500000000000 0.93395279691928 0.75000000000000 15.999 > 57 92 O 0.87500000000000 0.93395279691928 0.75000000000000 15.999 > 57 93 O 0.12500000000000 0.75994728376815 0.10079126494103 15.999 > 61 94 O 0.37500000000000 0.75994728376815 0.10079126494103 15.999 > 61 95 O 0.62500000000000 0.75994728376815 0.10079126494103 15.999 > 61 96 O 0.87500000000000 0.75994728376815 0.10079126494103 15.999 > 61 97 O 0.12500000000000 0.75994728376815 0.39920873505897 15.999 > 65 98 O 0.37500000000000 0.75994728376815 0.39920873505897 15.999 > 65 99 O 0.62500000000000 0.75994728376815 0.39920873505897 15.999 > 65 100 O 0.87500000000000 0.75994728376815 0.39920873505897 15.999 > 65 101 O 0.00000000000000 0.56604720308072 0.25000000000000 15.999 > 69 102 O 0.25000000000000 0.56604720308072 0.25000000000000 15.999 > 69 103 O 0.50000000000000 0.56604720308072 0.25000000000000 15.999 > 69 104 O 0.75000000000000 0.56604720308072 0.25000000000000 15.999 > 69 105 O 0.00000000000000 0.74005271623185 0.89920873505897 15.999 > 73 106 O 0.25000000000000 0.74005271623185 0.89920873505897 15.999 > 73 107 O 0.50000000000000 0.74005271623185 0.89920873505897 15.999 > 73 108 O 0.75000000000000 0.74005271623185 0.89920873505897 15.999 > 73 109 O 0.00000000000000 0.74005271623185 0.60079126494103 15.999 > 77 110 O 0.25000000000000 0.74005271623185 0.60079126494103 15.999 > 77 111 O 0.50000000000000 0.74005271623185 0.60079126494103 15.999 > 77 112 O 0.75000000000000 0.74005271623185 0.60079126494103 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5245267 0.0000000 0.0000000 0.0000000 4.3880247 0.0000000 0.0000000 0.0000000 4.1874920 -------------------------- Born effective charges -------------------------- 1 Ba 2.6901851 0.0000000 0.0000000 0.0000000 2.9100016 0.0000000 0.0000000 0.0000000 2.4739294 2 Ba 2.6901851 0.0000000 0.0000000 0.0000000 2.9100016 0.0000000 0.0000000 0.0000000 2.4739294 3 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 -0.3933790 0.0000000 -0.3811668 3.6519868 4 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 0.3933790 0.0000000 0.3811668 3.6519868 5 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 -0.3933790 0.0000000 -0.3811668 3.6519868 6 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 0.3933790 0.0000000 0.3811668 3.6519868 7 O -3.0116759 0.0000000 0.0000000 0.0000000 -2.6111692 0.4494591 0.0000000 0.4177918 -1.9669024 8 O -3.0116759 0.0000000 0.0000000 0.0000000 -2.6111692 -0.4494591 0.0000000 -0.4177918 -1.9669024 9 O -1.9456727 0.0000000 0.0000000 0.0000000 -2.5721235 0.0000000 0.0000000 0.0000000 -3.2966160 10 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 -0.1103527 0.0000000 -0.0130495 -2.2571923 11 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 0.1103527 0.0000000 0.0130495 -2.2571923 12 O -1.9456727 0.0000000 0.0000000 0.0000000 -2.5721235 0.0000000 0.0000000 0.0000000 -3.2966160 13 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 -0.1103527 0.0000000 -0.0130495 -2.2571923 14 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 0.1103527 0.0000000 0.0130495 -2.2571923 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzx) -0.00000001 (zzx) -0.00000001 (zxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 22:54:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:54:46]------------------------- 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): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.680613310000000 -5.529447960000000 0.000000000000000 b 1.680613310000000 5.529447960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): 1 Ba 0.88693858329072 0.11306141670928 0.75000000000000 137.327 2 Ba 0.11306141670928 0.88693858329072 0.25000000000000 137.327 3 Tm 0.63439870870655 0.36560129129345 0.93001383799191 168.934 4 Tm 0.63439870870655 0.36560129129345 0.56998616200809 168.934 5 Tm 0.36560129129345 0.63439870870655 0.06998616200809 168.934 6 Tm 0.36560129129345 0.63439870870655 0.43001383799191 168.934 7 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 8 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 9 O 0.56604720308072 0.43395279691928 0.75000000000000 15.999 10 O 0.74005271623185 0.25994728376815 0.10079126494103 15.999 11 O 0.74005271623185 0.25994728376815 0.39920873505897 15.999 12 O 0.43395279691928 0.56604720308072 0.25000000000000 15.999 13 O 0.25994728376815 0.74005271623185 0.89920873505897 15.999 14 O 0.25994728376815 0.74005271623185 0.60079126494103 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.444906480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058895919999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.268034620000002 Atomic positions (fractional): 1 Ba 0.00000000000000 0.11306141670928 0.75000000000000 137.327 > 1 2 Ba 0.25000000000000 0.11306141670928 0.75000000000000 137.327 > 1 3 Ba 0.50000000000000 0.11306141670928 0.75000000000000 137.327 > 1 4 Ba 0.75000000000000 0.11306141670928 0.75000000000000 137.327 > 1 5 Ba 0.12500000000000 0.38693858329072 0.25000000000000 137.327 > 5 6 Ba 0.37500000000000 0.38693858329072 0.25000000000000 137.327 > 5 7 Ba 0.62500000000000 0.38693858329072 0.25000000000000 137.327 > 5 8 Ba 0.87500000000000 0.38693858329072 0.25000000000000 137.327 > 5 9 Ba 0.12500000000000 0.61306141670928 0.75000000000000 137.327 > 1 10 Ba 0.37500000000000 0.61306141670928 0.75000000000000 137.327 > 1 11 Ba 0.62500000000000 0.61306141670928 0.75000000000000 137.327 > 1 12 Ba 0.87500000000000 0.61306141670928 0.75000000000000 137.327 > 1 13 Ba 0.00000000000000 0.88693858329072 0.25000000000000 137.327 > 5 14 Ba 0.25000000000000 0.88693858329072 0.25000000000000 137.327 > 5 15 Ba 0.50000000000000 0.88693858329072 0.25000000000000 137.327 > 5 16 Ba 0.75000000000000 0.88693858329072 0.25000000000000 137.327 > 5 17 Tm 0.00000000000000 0.36560129129345 0.93001383799191 168.934 > 17 18 Tm 0.25000000000000 0.36560129129345 0.93001383799191 168.934 > 17 19 Tm 0.50000000000000 0.36560129129345 0.93001383799191 168.934 > 17 20 Tm 0.75000000000000 0.36560129129345 0.93001383799191 168.934 > 17 21 Tm 0.00000000000000 0.36560129129345 0.56998616200809 168.934 > 21 22 Tm 0.25000000000000 0.36560129129345 0.56998616200809 168.934 > 21 23 Tm 0.50000000000000 0.36560129129345 0.56998616200809 168.934 > 21 24 Tm 0.75000000000000 0.36560129129345 0.56998616200809 168.934 > 21 25 Tm 0.12500000000000 0.13439870870655 0.06998616200809 168.934 > 25 26 Tm 0.37500000000000 0.13439870870655 0.06998616200809 168.934 > 25 27 Tm 0.62500000000000 0.13439870870655 0.06998616200809 168.934 > 25 28 Tm 0.87500000000000 0.13439870870655 0.06998616200809 168.934 > 25 29 Tm 0.12500000000000 0.13439870870655 0.43001383799191 168.934 > 29 30 Tm 0.37500000000000 0.13439870870655 0.43001383799191 168.934 > 29 31 Tm 0.62500000000000 0.13439870870655 0.43001383799191 168.934 > 29 32 Tm 0.87500000000000 0.13439870870655 0.43001383799191 168.934 > 29 33 Tm 0.12500000000000 0.86560129129345 0.93001383799191 168.934 > 17 34 Tm 0.37500000000000 0.86560129129345 0.93001383799191 168.934 > 17 35 Tm 0.62500000000000 0.86560129129345 0.93001383799191 168.934 > 17 36 Tm 0.87500000000000 0.86560129129345 0.93001383799191 168.934 > 17 37 Tm 0.12500000000000 0.86560129129345 0.56998616200809 168.934 > 21 38 Tm 0.37500000000000 0.86560129129345 0.56998616200809 168.934 > 21 39 Tm 0.62500000000000 0.86560129129345 0.56998616200809 168.934 > 21 40 Tm 0.87500000000000 0.86560129129345 0.56998616200809 168.934 > 21 41 Tm 0.00000000000000 0.63439870870655 0.06998616200809 168.934 > 25 42 Tm 0.25000000000000 0.63439870870655 0.06998616200809 168.934 > 25 43 Tm 0.50000000000000 0.63439870870655 0.06998616200809 168.934 > 25 44 Tm 0.75000000000000 0.63439870870655 0.06998616200809 168.934 > 25 45 Tm 0.00000000000000 0.63439870870655 0.43001383799191 168.934 > 29 46 Tm 0.25000000000000 0.63439870870655 0.43001383799191 168.934 > 29 47 Tm 0.50000000000000 0.63439870870655 0.43001383799191 168.934 > 29 48 Tm 0.75000000000000 0.63439870870655 0.43001383799191 168.934 > 29 49 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 49 50 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 49 51 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 49 52 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 53 54 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 53 55 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 53 56 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 53 57 O 0.00000000000000 0.43395279691928 0.75000000000000 15.999 > 57 58 O 0.25000000000000 0.43395279691928 0.75000000000000 15.999 > 57 59 O 0.50000000000000 0.43395279691928 0.75000000000000 15.999 > 57 60 O 0.75000000000000 0.43395279691928 0.75000000000000 15.999 > 57 61 O 0.00000000000000 0.25994728376815 0.10079126494103 15.999 > 61 62 O 0.25000000000000 0.25994728376815 0.10079126494103 15.999 > 61 63 O 0.50000000000000 0.25994728376815 0.10079126494103 15.999 > 61 64 O 0.75000000000000 0.25994728376815 0.10079126494103 15.999 > 61 65 O 0.00000000000000 0.25994728376815 0.39920873505897 15.999 > 65 66 O 0.25000000000000 0.25994728376815 0.39920873505897 15.999 > 65 67 O 0.50000000000000 0.25994728376815 0.39920873505897 15.999 > 65 68 O 0.75000000000000 0.25994728376815 0.39920873505897 15.999 > 65 69 O 0.12500000000000 0.06604720308072 0.25000000000000 15.999 > 69 70 O 0.37500000000000 0.06604720308072 0.25000000000000 15.999 > 69 71 O 0.62500000000000 0.06604720308072 0.25000000000000 15.999 > 69 72 O 0.87500000000000 0.06604720308072 0.25000000000000 15.999 > 69 73 O 0.12500000000000 0.24005271623185 0.89920873505897 15.999 > 73 74 O 0.37500000000000 0.24005271623185 0.89920873505897 15.999 > 73 75 O 0.62500000000000 0.24005271623185 0.89920873505897 15.999 > 73 76 O 0.87500000000000 0.24005271623185 0.89920873505897 15.999 > 73 77 O 0.12500000000000 0.24005271623185 0.60079126494103 15.999 > 77 78 O 0.37500000000000 0.24005271623185 0.60079126494103 15.999 > 77 79 O 0.62500000000000 0.24005271623185 0.60079126494103 15.999 > 77 80 O 0.87500000000000 0.24005271623185 0.60079126494103 15.999 > 77 81 O 0.12500000000000 0.50000000000000 0.50000000000000 15.999 > 49 82 O 0.37500000000000 0.50000000000000 0.50000000000000 15.999 > 49 83 O 0.62500000000000 0.50000000000000 0.50000000000000 15.999 > 49 84 O 0.87500000000000 0.50000000000000 0.50000000000000 15.999 > 49 85 O 0.12500000000000 0.50000000000000 0.00000000000000 15.999 > 53 86 O 0.37500000000000 0.50000000000000 0.00000000000000 15.999 > 53 87 O 0.62500000000000 0.50000000000000 0.00000000000000 15.999 > 53 88 O 0.87500000000000 0.50000000000000 0.00000000000000 15.999 > 53 89 O 0.12500000000000 0.93395279691928 0.75000000000000 15.999 > 57 90 O 0.37500000000000 0.93395279691928 0.75000000000000 15.999 > 57 91 O 0.62500000000000 0.93395279691928 0.75000000000000 15.999 > 57 92 O 0.87500000000000 0.93395279691928 0.75000000000000 15.999 > 57 93 O 0.12500000000000 0.75994728376815 0.10079126494103 15.999 > 61 94 O 0.37500000000000 0.75994728376815 0.10079126494103 15.999 > 61 95 O 0.62500000000000 0.75994728376815 0.10079126494103 15.999 > 61 96 O 0.87500000000000 0.75994728376815 0.10079126494103 15.999 > 61 97 O 0.12500000000000 0.75994728376815 0.39920873505897 15.999 > 65 98 O 0.37500000000000 0.75994728376815 0.39920873505897 15.999 > 65 99 O 0.62500000000000 0.75994728376815 0.39920873505897 15.999 > 65 100 O 0.87500000000000 0.75994728376815 0.39920873505897 15.999 > 65 101 O 0.00000000000000 0.56604720308072 0.25000000000000 15.999 > 69 102 O 0.25000000000000 0.56604720308072 0.25000000000000 15.999 > 69 103 O 0.50000000000000 0.56604720308072 0.25000000000000 15.999 > 69 104 O 0.75000000000000 0.56604720308072 0.25000000000000 15.999 > 69 105 O 0.00000000000000 0.74005271623185 0.89920873505897 15.999 > 73 106 O 0.25000000000000 0.74005271623185 0.89920873505897 15.999 > 73 107 O 0.50000000000000 0.74005271623185 0.89920873505897 15.999 > 73 108 O 0.75000000000000 0.74005271623185 0.89920873505897 15.999 > 73 109 O 0.00000000000000 0.74005271623185 0.60079126494103 15.999 > 77 110 O 0.25000000000000 0.74005271623185 0.60079126494103 15.999 > 77 111 O 0.50000000000000 0.74005271623185 0.60079126494103 15.999 > 77 112 O 0.75000000000000 0.74005271623185 0.60079126494103 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5245267 0.0000000 0.0000000 0.0000000 4.3880247 0.0000000 0.0000000 0.0000000 4.1874920 -------------------------- Born effective charges -------------------------- 1 Ba 2.6901851 0.0000000 0.0000000 0.0000000 2.9100016 0.0000000 0.0000000 0.0000000 2.4739294 2 Ba 2.6901851 0.0000000 0.0000000 0.0000000 2.9100016 0.0000000 0.0000000 0.0000000 2.4739294 3 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 -0.3933790 0.0000000 -0.3811668 3.6519868 4 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 0.3933790 0.0000000 0.3811668 3.6519868 5 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 -0.3933790 0.0000000 -0.3811668 3.6519868 6 Tm 4.0207757 0.0000000 0.0000000 0.0000000 3.6684340 0.3933790 0.0000000 0.3811668 3.6519868 7 O -3.0116759 0.0000000 0.0000000 0.0000000 -2.6111692 0.4494591 0.0000000 0.4177918 -1.9669024 8 O -3.0116759 0.0000000 0.0000000 0.0000000 -2.6111692 -0.4494591 0.0000000 -0.4177918 -1.9669024 9 O -1.9456727 0.0000000 0.0000000 0.0000000 -2.5721235 0.0000000 0.0000000 0.0000000 -3.2966160 10 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 -0.1103527 0.0000000 -0.0130495 -2.2571923 11 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 0.1103527 0.0000000 0.0130495 -2.2571923 12 O -1.9456727 0.0000000 0.0000000 0.0000000 -2.5721235 0.0000000 0.0000000 0.0000000 -3.2966160 13 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 -0.1103527 0.0000000 -0.0130495 -2.2571923 14 O -2.8871940 0.0000000 0.0000000 0.0000000 -2.5317885 0.1103527 0.0000000 0.0130495 -2.2571923 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzx) -0.00000001 (zzx) -0.00000001 (zxz) 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 ... [ 16 16 4 ] 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: 0.70, Number of G-points: 287, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/219) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 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 1.418 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.464 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.185 ( 0.000 0.000 0.000) 0.000 15.805 ( 0.000 0.000 0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 17.806 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/219) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 22.108 -12.119 0.000) 25.212 0.513 ( 23.096 -17.396 0.000) 28.915 1.071 ( 54.269 -6.582 0.000) 54.667 1.688 ( 25.625 0.081 0.000) 25.626 2.109 ( 2.921 -1.515 0.000) 3.290 2.329 ( 13.184 -0.089 0.000) 13.184 2.601 ( 16.137 -0.146 0.000) 16.138 2.634 ( 13.578 3.921 0.000) 14.133 2.683 ( 13.075 -3.917 0.000) 13.649 2.960 ( 1.670 10.087 0.000) 10.224 3.629 ( -1.050 1.139 0.000) 1.549 3.813 ( 6.163 -9.292 0.000) 11.150 3.863 ( -2.464 13.515 0.000) 13.738 4.066 ( -2.185 -12.161 0.000) 12.356 4.332 ( -3.226 7.800 0.000) 8.441 4.876 ( -2.948 -5.679 0.000) 6.399 5.680 ( -3.856 1.486 0.000) 4.133 6.240 ( -4.583 3.403 0.000) 5.708 6.905 ( 47.182 1.291 0.000) 47.200 7.411 ( -1.197 0.596 0.000) 1.337 7.536 ( 4.238 -8.770 0.000) 9.741 7.680 ( 18.020 30.939 0.000) 35.805 7.786 ( 13.031 -0.022 0.000) 13.031 8.120 ( 10.040 18.647 0.000) 21.178 8.956 ( -2.802 0.579 0.000) 2.861 9.765 ( 0.698 1.043 0.000) 1.255 9.856 ( -0.027 3.457 0.000) 3.457 10.162 ( -14.158 -30.050 0.000) 33.218 10.805 ( -1.523 5.573 0.000) 5.777 11.085 ( -4.958 1.819 0.000) 5.281 11.314 ( -1.873 1.322 0.000) 2.292 12.125 ( -5.980 -2.649 0.000) 6.540 12.151 ( -16.226 -2.117 0.000) 16.364 12.352 ( 4.590 -0.733 0.000) 4.649 12.485 ( 2.053 0.555 0.000) 2.126 12.639 ( -2.052 -2.193 0.000) 3.003 14.085 ( -10.495 -1.087 0.000) 10.551 14.173 ( 0.826 2.235 0.000) 2.382 15.720 ( 4.550 14.665 0.000) 15.354 16.068 ( -3.046 -8.104 0.000) 8.658 16.877 ( -4.444 -0.797 0.000) 4.515 17.756 ( -4.724 1.357 0.000) 4.915 ======================= Grid point 2 (3/219) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 21.602 -10.795 0.000) 24.149 1.048 ( 24.238 -14.250 0.000) 28.117 2.057 ( 46.594 -3.668 0.000) 46.738 2.174 ( 17.000 3.531 0.000) 17.362 2.281 ( 20.690 -5.128 0.000) 21.316 2.606 ( 15.476 1.970 0.000) 15.601 2.915 ( 8.217 3.942 0.000) 9.113 2.936 ( 19.689 4.936 0.000) 20.298 2.963 ( 21.329 1.189 0.000) 21.362 3.101 ( 21.168 -1.659 0.000) 21.232 3.596 ( -1.670 2.904 0.000) 3.350 3.770 ( 2.036 12.141 0.000) 12.310 4.048 ( 12.537 -10.335 0.000) 16.248 4.093 ( -2.078 -13.239 0.000) 13.401 4.195 ( -4.395 12.845 0.000) 13.576 4.841 ( -4.896 -8.058 0.000) 9.429 5.565 ( -7.056 2.685 0.000) 7.549 6.091 ( -8.500 5.630 0.000) 10.195 7.381 ( -2.037 -0.390 0.000) 2.074 7.547 ( 12.062 5.683 0.000) 13.334 7.892 ( 16.634 9.759 0.000) 19.285 8.030 ( 46.878 -10.440 0.000) 48.027 8.120 ( 21.784 -0.608 0.000) 21.792 8.237 ( 11.394 10.781 0.000) 15.686 8.908 ( -1.139 -1.432 0.000) 1.829 9.787 ( 2.966 2.285 0.000) 3.744 9.818 ( -1.538 5.454 0.000) 5.666 10.065 ( -6.162 -6.058 0.000) 8.641 10.709 ( -4.273 9.822 0.000) 10.711 10.959 ( -7.340 2.711 0.000) 7.825 11.272 ( -0.731 0.423 0.000) 0.844 11.778 ( -19.255 -0.935 0.000) 19.277 12.037 ( -9.584 -6.868 0.000) 11.791 12.406 ( -2.341 1.017 0.000) 2.552 12.526 ( 4.261 1.840 0.000) 4.641 12.657 ( 3.322 -5.202 0.000) 6.172 13.826 ( -17.859 -2.654 0.000) 18.055 14.109 ( -8.189 -0.644 0.000) 8.214 15.669 ( -5.466 1.031 0.000) 5.562 16.081 ( 2.963 3.936 0.000) 4.927 16.766 ( -7.987 -1.571 0.000) 8.141 17.630 ( -7.275 2.284 0.000) 7.625 ======================= Grid point 3 (4/219) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 19.882 -9.218 0.000) 21.915 1.550 ( 21.401 -11.175 0.000) 24.143 2.379 ( 10.956 2.696 0.000) 11.283 2.569 ( 10.140 12.670 0.000) 16.228 2.721 ( 17.250 -4.939 0.000) 17.943 3.040 ( 21.138 -12.326 0.000) 24.469 3.135 ( 26.260 6.873 0.000) 27.144 3.298 ( 20.969 2.509 0.000) 21.119 3.305 ( 16.653 8.528 0.000) 18.710 3.520 ( -3.111 5.883 0.000) 6.655 3.554 ( 22.760 -3.755 0.000) 23.067 3.858 ( 10.833 2.336 0.000) 11.082 4.037 ( -1.604 12.784 0.000) 12.884 4.184 ( 6.327 -12.897 0.000) 14.365 4.411 ( 19.041 -9.248 0.000) 21.168 4.786 ( -5.465 -7.133 0.000) 8.986 5.396 ( -8.807 3.405 0.000) 9.442 5.871 ( -11.127 6.206 0.000) 12.741 7.337 ( -3.278 -1.480 0.000) 3.596 7.647 ( 2.296 0.141 0.000) 2.300 8.165 ( 15.172 0.872 0.000) 15.197 8.412 ( 14.673 11.597 0.000) 18.702 8.569 ( 24.341 -1.456 0.000) 24.384 8.747 ( 20.991 8.678 0.000) 22.715 9.053 ( 18.060 -9.787 0.000) 20.542 9.753 ( -1.450 4.591 0.000) 4.815 9.856 ( 6.338 3.946 0.000) 7.466 10.016 ( -0.662 2.059 0.000) 2.163 10.548 ( -5.751 11.086 0.000) 12.489 10.770 ( -11.013 3.095 0.000) 11.439 11.334 ( 6.902 -2.515 0.000) 7.345 11.498 ( -10.525 1.253 0.000) 10.599 11.843 ( -15.980 -9.208 0.000) 18.443 12.255 ( -10.573 4.617 0.000) 11.537 12.615 ( 5.594 0.889 0.000) 5.665 12.804 ( 7.788 -5.237 0.000) 9.385 13.473 ( -20.931 -1.614 0.000) 20.993 13.861 ( -19.628 -3.660 0.000) 19.966 15.533 ( -7.414 1.563 0.000) 7.577 16.105 ( 2.039 6.258 0.000) 6.581 16.609 ( -9.764 -2.608 0.000) 10.107 17.473 ( -7.854 2.916 0.000) 8.378 ======================= Grid point 4 (5/219) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 16.078 -7.396 0.000) 17.698 1.948 ( 15.050 -8.235 0.000) 17.155 2.559 ( 10.334 4.333 0.000) 11.205 2.620 ( 5.707 11.878 0.000) 13.178 2.943 ( 4.511 -5.958 0.000) 7.474 3.253 ( 4.319 -1.073 0.000) 4.450 3.412 ( -1.123 7.942 0.000) 8.021 3.497 ( 10.112 5.190 0.000) 11.366 3.503 ( 6.909 7.866 0.000) 10.469 3.849 ( 19.573 5.794 0.000) 20.413 3.868 ( 25.945 -0.958 0.000) 25.962 4.056 ( 10.101 -2.232 0.000) 10.344 4.145 ( 15.637 -5.801 0.000) 16.679 4.513 ( 18.491 -11.127 0.000) 21.581 4.706 ( -3.152 -4.796 0.000) 5.739 4.865 ( 20.760 -6.292 0.000) 21.693 5.228 ( -5.527 3.849 0.000) 6.736 5.628 ( -10.751 4.765 0.000) 11.760 7.279 ( -4.298 -3.163 0.000) 5.336 7.648 ( -1.895 -0.553 0.000) 1.974 8.422 ( 11.472 -3.330 0.000) 11.946 8.654 ( 19.132 14.132 0.000) 23.785 8.956 ( 11.864 6.976 0.000) 13.763 8.996 ( 18.963 -1.927 0.000) 19.060 9.419 ( 12.729 -1.819 0.000) 12.858 9.719 ( -0.561 4.042 0.000) 4.081 9.979 ( 10.011 6.162 0.000) 11.755 10.009 ( 2.750 6.032 0.000) 6.629 10.417 ( -0.628 10.221 0.000) 10.240 10.550 ( -9.788 1.114 0.000) 9.851 11.347 ( -5.137 4.625 0.000) 6.912 11.495 ( 5.689 -4.090 0.000) 7.006 11.577 ( -17.905 -13.124 0.000) 22.199 11.992 ( -13.638 6.392 0.000) 15.061 12.735 ( 8.467 1.744 0.000) 8.645 12.960 ( 5.425 -3.849 0.000) 6.652 13.067 ( -22.872 2.521 0.000) 23.011 13.450 ( -26.311 -6.513 0.000) 27.106 15.397 ( -6.127 1.253 0.000) 6.254 16.077 ( -0.407 8.190 0.000) 8.200 16.445 ( -9.577 -3.857 0.000) 10.325 17.309 ( -7.735 3.356 0.000) 8.432 ======================= Grid point 5 (6/219) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 10.820 -5.663 0.000) 12.213 2.189 ( 7.042 -4.466 0.000) 8.339 2.675 ( 5.597 7.498 0.000) 9.357 2.698 ( 6.609 4.567 0.000) 8.033 3.023 ( 2.990 -2.396 0.000) 3.831 3.239 ( -0.093 10.508 0.000) 10.509 3.347 ( -0.992 5.360 0.000) 5.451 3.540 ( 0.427 1.373 0.000) 1.438 3.629 ( 5.290 -5.594 0.000) 7.699 4.007 ( 8.860 9.804 0.000) 13.214 4.240 ( 8.059 3.272 0.000) 8.698 4.416 ( 11.627 -4.579 0.000) 12.496 4.452 ( 18.794 -8.880 0.000) 20.786 4.711 ( 6.444 1.099 0.000) 6.537 4.801 ( 2.919 -10.354 0.000) 10.757 5.208 ( 5.612 -1.163 0.000) 5.731 5.279 ( 15.474 1.668 0.000) 15.563 5.528 ( 7.960 -2.656 0.000) 8.391 7.216 ( -4.887 -5.054 0.000) 7.030 7.600 ( -3.427 -1.116 0.000) 3.604 8.632 ( 9.653 0.058 0.000) 9.653 8.946 ( 19.841 12.820 0.000) 23.623 9.118 ( 9.176 10.752 0.000) 14.135 9.248 ( 6.349 -2.720 0.000) 6.907 9.561 ( 4.412 -0.666 0.000) 4.462 9.656 ( -1.586 9.888 0.000) 10.014 10.050 ( 3.346 2.714 0.000) 4.308 10.156 ( 12.998 7.884 0.000) 15.202 10.452 ( 0.505 -1.683 0.000) 1.757 10.452 ( 9.963 7.224 0.000) 12.307 11.228 ( -4.541 3.098 0.000) 5.497 11.384 ( -10.911 -13.466 0.000) 17.332 11.492 ( -9.458 0.100 0.000) 9.459 11.724 ( -10.453 2.652 0.000) 10.784 12.574 ( -27.563 5.804 0.000) 28.168 12.903 ( 10.061 1.811 0.000) 10.222 13.010 ( -24.342 -6.876 0.000) 25.294 13.031 ( 0.611 -0.948 0.000) 1.128 15.283 ( -5.881 0.935 0.000) 5.955 16.017 ( -0.505 8.019 0.000) 8.035 16.303 ( -8.144 -4.474 0.000) 9.292 17.151 ( -7.124 3.160 0.000) 7.794 ======================= Grid point 6 (7/219) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 6.539 -4.532 0.000) 7.956 2.286 ( 2.355 -2.175 0.000) 3.206 2.693 ( 0.091 7.691 0.000) 7.691 2.744 ( 1.057 2.943 0.000) 3.127 3.086 ( 3.309 3.256 0.000) 4.642 3.242 ( 6.348 4.769 0.000) 7.940 3.321 ( 0.661 3.804 0.000) 3.861 3.548 ( 0.704 -4.445 0.000) 4.500 3.748 ( 3.423 -6.300 0.000) 7.170 4.025 ( -0.305 12.440 0.000) 12.444 4.261 ( -2.999 4.672 0.000) 5.552 4.452 ( -3.841 -8.016 0.000) 8.888 4.840 ( 14.464 -4.764 0.000) 15.229 4.885 ( 3.892 -5.743 0.000) 6.937 4.912 ( 12.290 1.793 0.000) 12.420 5.173 ( -2.161 2.102 0.000) 3.015 5.634 ( 18.536 -1.870 0.000) 18.630 5.858 ( 17.596 -5.822 0.000) 18.534 7.155 ( -4.876 -5.735 0.000) 7.528 7.542 ( -3.310 -1.238 0.000) 3.533 8.714 ( 0.464 10.194 0.000) 10.205 9.122 ( -0.628 12.951 0.000) 12.966 9.214 ( 10.790 0.601 0.000) 10.807 9.350 ( 10.707 5.525 0.000) 12.049 9.594 ( 0.091 3.665 0.000) 3.666 9.707 ( 11.158 -3.225 0.000) 11.615 10.097 ( 3.272 1.236 0.000) 3.498 10.360 ( 13.412 7.852 0.000) 15.541 10.551 ( 8.014 -3.191 0.000) 8.626 10.678 ( 15.063 8.002 0.000) 17.057 11.189 ( 1.476 -1.510 0.000) 2.112 11.195 ( -18.000 4.434 0.000) 18.538 11.280 ( -8.542 -11.441 0.000) 14.278 11.542 ( -11.079 -1.838 0.000) 11.230 12.022 ( -26.235 5.724 0.000) 26.852 12.617 ( -21.460 -3.405 0.000) 21.728 12.995 ( -3.054 1.016 0.000) 3.219 13.068 ( 7.361 1.611 0.000) 7.535 15.158 ( -6.485 2.307 0.000) 6.883 15.987 ( 1.313 4.643 0.000) 4.825 16.193 ( -6.170 -3.684 0.000) 7.186 17.017 ( -5.441 2.043 0.000) 5.812 ======================= Grid point 7 (8/219) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.931 -1.820 0.000) 2.044 2.376 ( 3.566 -3.270 0.000) 4.838 2.622 ( -2.026 6.663 0.000) 6.964 2.726 ( -0.932 2.101 0.000) 2.298 3.104 ( 1.085 3.496 0.000) 3.661 3.309 ( -0.338 1.610 0.000) 1.645 3.401 ( 10.150 -2.849 0.000) 10.542 3.630 ( 4.579 -4.098 0.000) 6.145 3.798 ( -2.416 0.974 0.000) 2.605 3.903 ( -3.217 6.976 0.000) 7.682 4.137 ( -6.347 2.747 0.000) 6.916 4.425 ( -2.633 -4.672 0.000) 5.363 4.991 ( 4.015 -2.166 0.000) 4.562 5.023 ( 3.525 0.394 0.000) 3.547 5.079 ( 4.539 -5.925 0.000) 7.464 5.184 ( 5.151 4.918 0.000) 7.121 5.923 ( 10.611 -1.657 0.000) 10.739 6.156 ( 10.691 -3.437 0.000) 11.229 7.103 ( -3.505 -3.948 0.000) 5.279 7.497 ( -2.063 -0.757 0.000) 2.198 8.585 ( -5.271 8.881 0.000) 10.327 9.023 ( -2.368 7.321 0.000) 7.695 9.329 ( 2.761 -1.977 0.000) 3.396 9.561 ( 8.915 6.281 0.000) 10.905 9.655 ( 9.081 -0.407 0.000) 9.090 9.984 ( 15.655 -2.595 0.000) 15.869 10.169 ( 5.454 0.400 0.000) 5.468 10.543 ( 9.234 4.978 0.000) 10.490 10.747 ( 10.946 -1.296 0.000) 11.022 10.803 ( 1.155 4.938 0.000) 5.071 10.826 ( -18.216 3.804 0.000) 18.609 11.111 ( -12.212 -5.780 0.000) 13.510 11.319 ( -13.405 -2.036 0.000) 13.559 11.372 ( 12.313 -4.225 0.000) 13.018 11.632 ( -10.240 3.613 0.000) 10.859 12.243 ( -19.554 -0.094 0.000) 19.555 12.918 ( -3.440 1.537 0.000) 3.767 13.166 ( 3.655 0.716 0.000) 3.725 15.035 ( -4.595 2.373 0.000) 5.171 16.002 ( 1.641 1.457 0.000) 2.195 16.118 ( -3.491 -1.904 0.000) 3.976 16.932 ( -2.840 0.749 0.000) 2.937 ======================= Grid point 8 (9/219) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 -0.000 0.000) 0.000 2.421 ( 0.000 -0.000 0.000) 0.000 2.579 ( 0.000 -0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 -0.000 0.000) 0.000 3.300 ( -0.000 -0.000 0.000) 0.000 3.620 ( -0.002 0.001 0.000) 0.002 3.623 ( 0.002 -0.001 0.000) 0.002 3.701 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 -0.000 0.000) 0.000 4.055 ( 0.000 -0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 -0.000 0.000) 0.000 5.040 ( 0.000 -0.000 0.000) 0.000 5.142 ( -0.000 -0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 -0.000 0.000) 0.000 6.269 ( 0.000 -0.000 0.000) 0.000 7.079 ( 0.000 -0.000 0.000) 0.000 7.479 ( 0.000 -0.000 0.000) 0.000 8.502 ( 0.000 -0.000 0.000) 0.000 8.978 ( 0.000 -0.000 0.000) 0.000 9.358 ( 0.000 -0.000 0.000) 0.000 9.615 ( 0.000 -0.000 0.000) 0.000 9.774 ( 0.000 -0.000 0.000) 0.000 10.213 ( 0.000 -0.000 0.000) 0.000 10.258 ( 0.000 -0.000 0.000) 0.000 10.558 ( 0.000 -0.000 0.000) 0.000 10.632 ( 0.000 -0.000 0.000) 0.000 10.740 ( 0.000 -0.000 0.000) 0.000 10.906 ( 0.000 -0.000 0.000) 0.000 10.994 ( 0.000 -0.000 0.000) 0.000 11.144 ( -0.000 -0.000 0.000) 0.000 11.488 ( -0.000 -0.000 0.000) 0.000 11.644 ( 0.000 -0.000 0.000) 0.000 11.983 ( 0.000 -0.000 0.000) 0.000 12.878 ( 0.000 -0.000 0.000) 0.000 13.197 ( 0.000 -0.000 0.000) 0.000 14.983 ( 0.000 -0.000 0.000) 0.000 16.016 ( 0.000 -0.000 0.000) 0.000 16.090 ( 0.000 -0.000 0.000) 0.000 16.904 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 18 (10/219) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 23.626 0.000 0.000) 23.626 0.962 ( 27.335 0.000 0.000) 27.335 2.035 ( 49.120 0.000 0.000) 49.120 2.215 ( 8.760 0.000 0.000) 8.760 2.230 ( 29.136 0.000 0.000) 29.136 2.617 ( 16.056 0.000 0.000) 16.056 2.926 ( 9.295 0.000 0.000) 9.295 2.970 ( 22.280 0.000 0.000) 22.280 2.972 ( 19.708 0.000 0.000) 19.708 3.099 ( 16.150 0.000 0.000) 16.150 3.610 ( -1.316 -0.000 0.000) 1.316 3.884 ( 1.336 0.000 0.000) 1.336 3.974 ( -2.972 -0.000 0.000) 2.972 3.982 ( 14.673 0.000 0.000) 14.673 4.276 ( -5.306 -0.000 0.000) 5.306 4.788 ( -4.400 -0.000 0.000) 4.400 5.580 ( -7.146 -0.000 0.000) 7.146 6.123 ( -8.869 -0.000 0.000) 8.869 7.379 ( -2.271 -0.000 0.000) 2.271 7.589 ( 4.420 0.000 0.000) 4.420 7.942 ( 11.269 0.000 0.000) 11.269 7.958 ( 57.709 0.000 0.000) 57.709 8.117 ( 21.723 0.000 0.000) 21.723 8.321 ( 9.167 0.000 0.000) 9.167 8.901 ( -2.288 -0.000 0.000) 2.288 9.801 ( 3.107 0.000 0.000) 3.107 9.843 ( -2.392 -0.000 0.000) 2.392 10.025 ( -1.002 -0.000 0.000) 1.002 10.767 ( -4.789 -0.000 0.000) 4.789 10.974 ( -7.458 -0.000 0.000) 7.458 11.274 ( -1.552 -0.000 0.000) 1.552 11.774 ( -18.802 -0.000 0.000) 18.802 11.995 ( -9.425 -0.000 0.000) 9.425 12.412 ( -0.896 -0.000 0.000) 0.896 12.545 ( 3.858 0.000 0.000) 3.858 12.619 ( 3.055 0.000 0.000) 3.055 13.810 ( -17.614 -0.000 0.000) 17.614 14.106 ( -9.108 -0.000 0.000) 9.108 15.674 ( -6.213 -0.000 0.000) 6.213 16.105 ( 3.612 0.000 0.000) 3.612 16.757 ( -8.023 -0.000 0.000) 8.023 17.643 ( -7.386 -0.000 0.000) 7.386 ======================= Grid point 19 (11/219) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 21.756 -3.331 0.000) 22.009 1.461 ( 24.028 -4.126 0.000) 24.380 2.406 ( 11.670 1.588 0.000) 11.778 2.676 ( 16.417 -2.416 0.000) 16.594 2.698 ( 14.784 8.812 0.000) 17.211 2.915 ( 14.975 -8.621 0.000) 17.279 3.173 ( 28.439 0.883 0.000) 28.453 3.348 ( 21.009 4.292 0.000) 21.443 3.376 ( 20.292 3.485 0.000) 20.589 3.512 ( 23.023 -2.949 0.000) 23.211 3.565 ( -3.262 1.902 0.000) 3.776 3.905 ( 3.197 5.460 0.000) 6.327 4.051 ( 10.318 -9.483 0.000) 14.014 4.147 ( -5.922 5.561 0.000) 8.124 4.336 ( 21.332 -3.496 0.000) 21.616 4.720 ( -3.961 -3.722 0.000) 5.435 5.423 ( -9.015 1.203 0.000) 9.095 5.919 ( -12.013 2.202 0.000) 12.213 7.325 ( -3.675 -0.543 0.000) 3.715 7.650 ( 1.732 0.151 0.000) 1.738 8.165 ( 12.381 -0.218 0.000) 12.383 8.520 ( 14.571 5.781 0.000) 15.676 8.558 ( 24.105 -0.666 0.000) 24.114 8.843 ( 25.072 8.300 0.000) 26.410 8.946 ( 16.916 -8.969 0.000) 19.146 9.782 ( -3.028 0.852 0.000) 3.145 9.888 ( 6.837 1.554 0.000) 7.011 10.032 ( 1.323 0.696 0.000) 1.495 10.638 ( -6.639 4.300 0.000) 7.910 10.794 ( -11.588 1.113 0.000) 11.642 11.313 ( 5.955 -0.967 0.000) 6.034 11.511 ( -9.138 0.793 0.000) 9.172 11.766 ( -16.474 -3.859 0.000) 16.920 12.293 ( -9.876 1.864 0.000) 10.050 12.630 ( 6.059 1.363 0.000) 6.210 12.753 ( 8.224 -3.070 0.000) 8.779 13.461 ( -19.470 -0.524 0.000) 19.477 13.831 ( -20.551 -1.424 0.000) 20.600 15.545 ( -7.311 0.556 0.000) 7.332 16.153 ( 2.040 2.201 0.000) 3.001 16.589 ( -9.962 -0.924 0.000) 10.004 17.495 ( -7.985 1.017 0.000) 8.049 ======================= Grid point 20 (12/219) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 17.746 -3.969 0.000) 18.184 1.876 ( 17.456 -4.469 0.000) 18.019 2.612 ( 11.776 4.482 0.000) 12.600 2.750 ( 2.928 10.504 0.000) 10.905 2.875 ( 4.242 -5.474 0.000) 6.925 3.168 ( 7.490 -9.898 0.000) 12.413 3.478 ( -3.736 3.759 0.000) 5.300 3.586 ( 4.468 6.152 0.000) 7.603 3.625 ( 11.958 13.364 0.000) 17.933 3.842 ( 34.818 -1.260 0.000) 34.840 3.900 ( 15.260 0.278 0.000) 15.262 4.040 ( 13.244 -0.602 0.000) 13.258 4.081 ( 4.064 -4.862 0.000) 6.337 4.401 ( 18.500 -7.897 0.000) 20.115 4.672 ( 1.168 -0.797 0.000) 1.414 4.798 ( 21.358 -5.439 0.000) 22.039 5.262 ( -5.710 2.066 0.000) 6.072 5.671 ( -12.446 2.672 0.000) 12.729 7.250 ( -4.956 -1.768 0.000) 5.262 7.644 ( -2.117 -0.223 0.000) 2.129 8.392 ( 11.382 -1.865 0.000) 11.534 8.787 ( 18.440 8.810 0.000) 20.437 8.978 ( 18.726 -1.224 0.000) 18.766 9.017 ( 11.102 3.740 0.000) 11.715 9.399 ( 15.559 -1.546 0.000) 15.636 9.752 ( 0.956 1.819 0.000) 2.055 10.037 ( 10.714 3.801 0.000) 11.368 10.055 ( 1.945 2.292 0.000) 3.006 10.524 ( -0.904 7.857 0.000) 7.909 10.562 ( -11.365 0.773 0.000) 11.391 11.390 ( -4.381 2.770 0.000) 5.184 11.447 ( -19.994 -9.044 0.000) 21.944 11.457 ( 6.015 -2.472 0.000) 6.503 12.051 ( -14.059 3.753 0.000) 14.552 12.760 ( 9.160 2.546 0.000) 9.507 12.915 ( 6.393 -3.831 0.000) 7.453 13.098 ( -19.458 2.639 0.000) 19.636 13.384 ( -28.101 -4.778 0.000) 28.504 15.408 ( -6.704 0.656 0.000) 6.736 16.149 ( -0.558 4.332 0.000) 4.368 16.411 ( -9.772 -2.121 0.000) 9.999 17.339 ( -7.952 1.792 0.000) 8.152 ======================= Grid point 21 (13/219) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 12.101 -3.547 0.000) 12.611 2.149 ( 9.604 -2.669 0.000) 9.968 2.750 ( 2.327 5.733 0.000) 6.187 2.757 ( 5.726 5.777 0.000) 8.134 2.980 ( 5.687 -5.100 0.000) 7.639 3.302 ( 2.998 -0.276 0.000) 3.011 3.397 ( -2.447 3.361 0.000) 4.157 3.558 ( -3.137 1.644 0.000) 3.541 3.645 ( 2.457 9.053 0.000) 9.381 4.100 ( 9.829 6.533 0.000) 11.802 4.270 ( 4.747 -15.410 0.000) 16.124 4.293 ( 11.958 6.073 0.000) 13.412 4.421 ( 23.317 -1.773 0.000) 23.384 4.678 ( 3.962 -11.021 0.000) 11.712 4.732 ( 8.034 2.325 0.000) 8.364 5.199 ( 13.721 -0.625 0.000) 13.735 5.298 ( 12.785 1.454 0.000) 12.868 5.502 ( 0.266 -1.909 0.000) 1.927 7.167 ( -5.352 -3.432 0.000) 6.358 7.590 ( -3.591 -0.724 0.000) 3.663 8.620 ( 12.192 -1.475 0.000) 12.280 9.079 ( 17.098 10.014 0.000) 19.815 9.220 ( 12.185 7.186 0.000) 14.146 9.221 ( 7.129 -2.065 0.000) 7.422 9.551 ( 2.083 -1.073 0.000) 2.343 9.760 ( 0.187 7.841 0.000) 7.844 10.081 ( 2.656 2.616 0.000) 3.727 10.235 ( 13.206 5.930 0.000) 14.476 10.430 ( -1.524 -1.473 0.000) 2.119 10.543 ( 8.827 8.001 0.000) 11.914 11.178 ( -12.596 -12.286 0.000) 17.596 11.307 ( -4.960 0.780 0.000) 5.021 11.489 ( -4.990 -0.472 0.000) 5.012 11.752 ( -15.066 2.131 0.000) 15.216 12.648 ( -26.874 7.247 0.000) 27.833 12.927 ( -23.157 -7.713 0.000) 24.408 12.927 ( 9.526 2.385 0.000) 9.820 13.015 ( 2.416 -1.856 0.000) 3.047 15.292 ( -5.495 0.628 0.000) 5.531 16.092 ( -2.159 5.225 0.000) 5.653 16.260 ( -7.824 -3.041 0.000) 8.395 17.181 ( -7.716 2.072 0.000) 7.989 ======================= Grid point 22 (14/219) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 7.355 -3.073 0.000) 7.971 2.273 ( 3.582 -0.290 0.000) 3.594 2.753 ( -0.309 3.052 0.000) 3.068 2.774 ( -0.242 2.288 0.000) 2.300 3.120 ( 6.362 2.572 0.000) 6.863 3.310 ( 2.502 6.552 0.000) 7.014 3.357 ( -0.366 2.341 0.000) 2.370 3.502 ( -1.677 -3.295 0.000) 3.697 3.702 ( 4.928 -1.137 0.000) 5.057 4.152 ( -0.129 9.152 0.000) 9.153 4.320 ( -4.407 5.560 0.000) 7.095 4.352 ( -1.746 -8.621 0.000) 8.796 4.735 ( 8.062 -11.613 0.000) 14.137 4.814 ( 7.118 -6.561 0.000) 9.680 4.929 ( 10.490 1.201 0.000) 10.558 5.261 ( 5.455 11.301 0.000) 12.549 5.616 ( 17.821 -1.233 0.000) 17.863 5.778 ( 17.279 -8.273 0.000) 19.157 7.097 ( -4.362 -4.394 0.000) 6.191 7.530 ( -3.157 -0.974 0.000) 3.304 8.808 ( 5.533 6.483 0.000) 8.523 9.191 ( 0.867 -3.525 0.000) 3.630 9.259 ( -3.268 10.980 0.000) 11.456 9.432 ( 17.105 7.556 0.000) 18.699 9.649 ( -4.936 5.698 0.000) 7.539 9.666 ( 11.516 -4.010 0.000) 12.194 10.127 ( 4.090 4.432 0.000) 6.030 10.444 ( 12.416 6.550 0.000) 14.038 10.519 ( 8.599 -2.386 0.000) 8.924 10.759 ( 15.994 5.968 0.000) 17.071 11.104 ( -5.830 -12.631 0.000) 13.912 11.203 ( -4.603 -2.399 0.000) 5.191 11.252 ( -16.904 5.571 0.000) 17.798 11.510 ( -12.573 -3.750 0.000) 13.120 12.090 ( -26.515 5.985 0.000) 27.182 12.576 ( -19.202 -3.707 0.000) 19.557 13.005 ( -1.641 0.735 0.000) 1.798 13.085 ( 6.319 1.298 0.000) 6.451 15.187 ( -5.052 2.604 0.000) 5.684 16.030 ( -1.589 2.933 0.000) 3.335 16.157 ( -5.076 -2.718 0.000) 5.758 17.037 ( -6.435 1.395 0.000) 6.584 ======================= Grid point 23 (15/219) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 1.287 -0.154 0.000) 1.296 2.341 ( 4.522 -2.689 0.000) 5.261 2.691 ( -3.395 5.035 0.000) 6.073 2.745 ( -1.579 1.216 0.000) 1.993 3.152 ( 0.313 4.999 0.000) 5.009 3.327 ( -1.499 1.474 0.000) 2.102 3.378 ( 6.320 -1.021 0.000) 6.402 3.576 ( 5.535 -5.248 0.000) 7.628 3.789 ( 2.706 -0.428 0.000) 2.740 4.008 ( -7.709 9.545 0.000) 12.269 4.168 ( -7.603 2.554 0.000) 8.021 4.365 ( -0.403 -5.565 0.000) 5.579 4.900 ( 1.156 -16.993 0.000) 17.032 4.970 ( 6.063 -1.567 0.000) 6.262 5.033 ( 2.293 0.470 0.000) 2.340 5.350 ( 10.484 16.892 0.000) 19.881 5.902 ( 10.978 -1.909 0.000) 11.143 6.098 ( 11.396 -6.759 0.000) 13.250 7.062 ( -1.575 -3.242 0.000) 3.604 7.489 ( -1.651 -0.661 0.000) 1.779 8.688 ( -8.905 9.319 0.000) 12.890 9.096 ( -7.060 5.419 0.000) 8.900 9.300 ( 5.561 -3.538 0.000) 6.591 9.577 ( -0.745 -1.004 0.000) 1.250 9.702 ( 13.768 6.394 0.000) 15.180 9.959 ( 16.631 -1.828 0.000) 16.731 10.186 ( 5.081 2.618 0.000) 5.716 10.597 ( 6.543 4.287 0.000) 7.823 10.724 ( 9.617 -2.102 0.000) 9.845 10.849 ( -7.552 2.502 0.000) 7.956 10.887 ( -16.037 6.308 0.000) 17.233 11.036 ( -3.808 -6.605 0.000) 7.624 11.287 ( -13.372 -3.718 0.000) 13.879 11.321 ( 13.492 -4.654 0.000) 14.273 11.679 ( -12.661 4.476 0.000) 13.429 12.239 ( -18.189 -0.580 0.000) 18.198 12.941 ( -3.230 2.471 0.000) 4.067 13.168 ( 2.720 -0.287 0.000) 2.735 15.079 ( -3.880 4.963 0.000) 6.300 16.005 ( -0.713 -0.847 0.000) 1.107 16.101 ( -2.013 -1.057 0.000) 2.273 16.936 ( -3.774 0.059 0.000) 3.774 ======================= Grid point 24 (16/219) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.812 -0.807 0.000) 1.145 2.415 ( 1.981 -1.011 0.000) 2.224 2.600 ( -3.037 3.538 0.000) 4.663 2.710 ( -1.402 0.412 0.000) 1.462 3.112 ( -1.865 1.817 0.000) 2.603 3.302 ( -0.671 0.302 0.000) 0.736 3.534 ( 7.130 -7.992 0.000) 10.710 3.686 ( 2.164 -2.487 0.000) 3.297 3.695 ( -10.997 5.853 0.000) 12.458 3.905 ( 1.066 3.352 0.000) 3.517 4.059 ( -1.731 0.710 0.000) 1.871 4.405 ( 2.527 -1.328 0.000) 2.855 4.966 ( -3.892 -16.040 0.000) 16.505 5.042 ( 1.403 0.860 0.000) 1.646 5.050 ( -0.460 -1.070 0.000) 1.165 5.400 ( 4.949 18.116 0.000) 18.780 6.023 ( 0.837 -0.874 0.000) 1.210 6.248 ( 1.028 -3.707 0.000) 3.847 7.081 ( 2.692 0.240 0.000) 2.703 7.479 ( 0.472 0.012 0.000) 0.472 8.511 ( -5.193 1.696 0.000) 5.463 8.971 ( -4.826 -1.292 0.000) 4.996 9.364 ( 0.975 0.902 0.000) 1.328 9.576 ( -3.257 -5.580 0.000) 6.461 9.799 ( -1.171 3.318 0.000) 3.519 10.219 ( 4.052 0.977 0.000) 4.168 10.258 ( -0.676 0.073 0.000) 0.680 10.558 ( -4.134 0.099 0.000) 4.136 10.635 ( -3.322 0.461 0.000) 3.354 10.730 ( 1.393 -1.644 0.000) 2.155 10.904 ( -0.868 -0.413 0.000) 0.962 10.993 ( -0.899 -0.221 0.000) 0.926 11.142 ( 2.573 -0.292 0.000) 2.590 11.496 ( 0.717 1.376 0.000) 1.552 11.639 ( 2.594 -0.889 0.000) 2.742 11.980 ( -2.351 -0.397 0.000) 2.384 12.888 ( -0.593 1.777 0.000) 1.874 13.190 ( -0.813 -1.281 0.000) 1.517 15.009 ( -0.273 4.401 0.000) 4.410 15.998 ( -1.615 -3.035 0.000) 3.438 16.096 ( 1.429 0.947 0.000) 1.715 16.898 ( -0.664 -0.946 0.000) 1.156 ======================= Grid point 25 (17/219) ======================= q-point: (-0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.200 1.239 0.000) 1.255 2.412 ( -1.880 2.967 0.000) 3.513 2.558 ( -1.152 -3.550 0.000) 3.732 2.700 ( -0.139 -2.211 0.000) 2.216 3.075 ( -2.068 -1.591 0.000) 2.609 3.290 ( -1.281 -1.817 0.000) 2.223 3.438 ( -12.621 3.601 0.000) 13.125 3.667 ( -2.996 2.343 0.000) 3.803 3.714 ( 5.569 -11.465 0.000) 12.746 3.904 ( 0.581 4.703 0.000) 4.739 4.109 ( 5.293 -2.087 0.000) 5.690 4.467 ( 4.398 2.838 0.000) 5.234 4.947 ( -8.296 -15.754 0.000) 17.805 5.017 ( -3.791 -0.834 0.000) 3.882 5.017 ( -2.650 2.442 0.000) 3.604 5.333 ( -0.495 17.961 0.000) 17.968 5.938 ( -9.846 1.025 0.000) 9.900 6.175 ( -9.635 0.016 0.000) 9.635 7.149 ( 5.495 4.093 0.000) 6.852 7.505 ( 2.476 0.731 0.000) 2.582 8.492 ( 0.895 -7.391 0.000) 7.445 8.934 ( -2.078 -8.206 0.000) 8.465 9.353 ( -1.013 2.228 0.000) 2.447 9.459 ( -14.691 -10.138 0.000) 17.850 9.683 ( -6.673 2.984 0.000) 7.309 10.016 ( -15.441 3.003 0.000) 15.730 10.172 ( -5.044 0.724 0.000) 5.095 10.488 ( -11.855 -4.688 0.000) 12.748 10.733 ( -1.083 -3.310 0.000) 3.482 10.747 ( -6.008 -4.766 0.000) 7.669 10.820 ( 9.975 2.361 0.000) 10.251 11.160 ( 16.438 2.874 0.000) 16.687 11.333 ( 12.827 0.337 0.000) 12.832 11.412 ( -11.781 2.833 0.000) 12.116 11.602 ( 7.965 -1.567 0.000) 8.117 12.240 ( 20.855 -0.703 0.000) 20.867 12.908 ( 3.014 -0.233 0.000) 3.023 13.152 ( -4.208 -1.673 0.000) 4.528 15.030 ( 4.327 1.474 0.000) 4.571 15.971 ( -3.478 -4.097 0.000) 5.374 16.144 ( 4.810 2.677 0.000) 5.505 16.919 ( 2.077 -1.546 0.000) 2.589 ======================= Grid point 26 (18/219) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -5.395 5.652 0.000) 7.813 2.322 ( -1.255 3.928 0.000) 4.124 2.588 ( -0.853 -10.034 0.000) 10.070 2.708 ( -1.566 -3.358 0.000) 3.705 3.050 ( -2.178 -3.080 0.000) 3.772 3.209 ( -10.291 -1.024 0.000) 10.342 3.274 ( -2.067 -4.470 0.000) 4.925 3.596 ( -2.165 3.983 0.000) 4.534 3.817 ( -0.441 1.248 0.000) 1.324 3.892 ( -0.597 -6.685 0.000) 6.711 4.217 ( 3.266 -2.987 0.000) 4.426 4.525 ( 3.607 4.785 0.000) 5.992 4.806 ( -14.313 -8.475 0.000) 16.634 4.903 ( -9.966 -0.115 0.000) 9.967 4.941 ( -2.488 4.114 0.000) 4.808 5.235 ( 0.959 11.331 0.000) 11.372 5.658 ( -18.666 2.317 0.000) 18.809 5.909 ( -17.327 3.170 0.000) 17.614 7.224 ( 5.432 6.227 0.000) 8.263 7.557 ( 3.518 1.309 0.000) 3.754 8.582 ( 0.635 -12.822 0.000) 12.838 8.971 ( -1.479 -13.588 0.000) 13.669 9.162 ( -20.069 -7.608 0.000) 21.463 9.329 ( -1.045 1.134 0.000) 1.542 9.570 ( -4.652 -0.714 0.000) 4.707 9.737 ( -12.010 2.121 0.000) 12.196 10.093 ( -3.318 0.446 0.000) 3.348 10.273 ( -14.115 -7.376 0.000) 15.926 10.585 ( -14.714 -8.159 0.000) 16.825 10.588 ( -7.225 3.185 0.000) 7.896 11.155 ( 18.444 -2.565 0.000) 18.622 11.188 ( -5.830 -1.123 0.000) 5.937 11.405 ( 10.232 9.937 0.000) 14.263 11.551 ( 9.941 -0.253 0.000) 9.944 11.965 ( 26.404 -4.365 0.000) 26.763 12.651 ( 23.392 2.422 0.000) 23.517 12.982 ( 3.794 -1.207 0.000) 3.982 13.050 ( -7.792 -1.599 0.000) 7.954 15.140 ( 7.008 -0.837 0.000) 7.057 15.926 ( -3.992 -6.233 0.000) 7.401 16.238 ( 7.213 4.216 0.000) 8.355 16.991 ( 4.455 -2.545 0.000) 5.131 ======================= Grid point 27 (19/219) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -9.214 7.412 0.000) 11.826 2.249 ( -4.331 5.962 0.000) 7.369 2.580 ( -6.743 -9.326 0.000) 11.509 2.654 ( -6.439 -3.177 0.000) 7.180 3.031 ( -1.059 -1.103 0.000) 1.529 3.113 ( -2.825 -10.198 0.000) 10.582 3.280 ( -0.435 -6.356 0.000) 6.371 3.529 ( -4.906 -0.640 0.000) 4.947 3.724 ( -4.709 9.600 0.000) 10.692 3.882 ( -8.142 -12.011 0.000) 14.510 4.220 ( -4.193 -0.237 0.000) 4.200 4.418 ( -20.354 -1.080 0.000) 20.383 4.571 ( -11.234 9.122 0.000) 14.471 4.706 ( -3.293 0.079 0.000) 3.294 4.903 ( -0.038 7.352 0.000) 7.353 5.231 ( -1.647 3.315 0.000) 3.701 5.265 ( -19.592 -0.467 0.000) 19.598 5.559 ( -13.760 2.534 0.000) 13.991 7.279 ( 4.224 5.872 0.000) 7.233 7.615 ( 3.321 1.422 0.000) 3.612 8.592 ( -6.397 -8.322 0.000) 10.497 8.821 ( -20.905 -7.771 0.000) 22.302 8.982 ( -6.805 -13.059 0.000) 14.726 9.282 ( -6.126 3.306 0.000) 6.961 9.548 ( 1.312 -8.841 0.000) 8.938 9.563 ( -6.519 -0.433 0.000) 6.533 10.019 ( -6.406 -2.690 0.000) 6.948 10.064 ( -12.609 -7.928 0.000) 14.895 10.363 ( -11.105 -7.751 0.000) 13.542 10.484 ( -0.909 3.253 0.000) 3.378 11.175 ( 1.784 -5.670 0.000) 5.944 11.486 ( 14.225 -0.779 0.000) 14.246 11.540 ( 12.312 13.355 0.000) 18.165 11.694 ( 5.612 -2.668 0.000) 6.214 12.518 ( 28.850 -3.942 0.000) 29.118 12.887 ( -9.853 -1.003 0.000) 9.904 13.035 ( 0.752 -0.138 0.000) 0.765 13.081 ( 25.397 5.643 0.000) 26.016 15.272 ( 6.122 -1.033 0.000) 6.209 15.915 ( -1.653 -9.816 0.000) 9.954 16.359 ( 8.505 5.190 0.000) 9.964 17.111 ( 6.369 -3.837 0.000) 7.436 ======================= Grid point 28 (20/219) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -13.776 9.952 0.000) 16.995 2.057 ( -11.738 10.771 0.000) 15.931 2.488 ( -7.856 -11.342 0.000) 13.797 2.520 ( -9.149 -2.532 0.000) 9.493 3.000 ( -3.204 3.726 0.000) 4.914 3.158 ( -3.127 -13.875 0.000) 14.223 3.307 ( -4.009 -9.829 0.000) 10.615 3.415 ( -7.302 -7.740 0.000) 10.640 3.541 ( -9.798 8.702 0.000) 13.104 3.738 ( -13.641 -12.017 0.000) 18.179 3.910 ( -29.663 5.355 0.000) 30.143 4.090 ( -8.260 3.805 0.000) 9.094 4.208 ( -20.677 5.343 0.000) 21.356 4.641 ( -18.530 11.318 0.000) 21.713 4.763 ( 6.755 4.522 0.000) 8.129 4.941 ( -20.529 7.275 0.000) 21.780 5.176 ( 5.392 -5.133 0.000) 7.444 5.567 ( 8.041 -5.842 0.000) 9.939 7.320 ( 3.286 3.957 0.000) 5.143 7.657 ( 1.717 1.042 0.000) 2.008 8.464 ( -11.675 4.013 0.000) 12.346 8.481 ( -18.874 -15.943 0.000) 24.707 8.862 ( -12.115 -9.611 0.000) 15.464 9.021 ( -19.048 2.519 0.000) 19.214 9.435 ( -9.636 0.669 0.000) 9.659 9.661 ( 2.118 -6.143 0.000) 6.498 9.905 ( -8.919 -6.770 0.000) 11.197 9.918 ( -4.533 -9.648 0.000) 10.660 10.304 ( -1.375 -9.680 0.000) 9.777 10.540 ( 7.410 -0.620 0.000) 7.436 11.290 ( 6.771 -5.171 0.000) 8.520 11.545 ( -5.453 4.450 0.000) 7.038 11.731 ( 16.333 13.741 0.000) 21.344 11.914 ( 13.711 -7.168 0.000) 15.472 12.723 ( -7.527 -0.303 0.000) 7.533 12.997 ( -4.253 2.534 0.000) 4.951 13.046 ( 25.986 -1.152 0.000) 26.011 13.525 ( 25.371 6.514 0.000) 26.194 15.380 ( 5.308 -1.713 0.000) 5.577 15.967 ( 0.152 -11.115 0.000) 11.116 16.496 ( 9.312 4.947 0.000) 10.544 17.265 ( 7.396 -4.489 0.000) 8.652 ======================= Grid point 29 (21/219) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -16.914 13.319 0.000) 21.529 1.703 ( -17.594 15.462 0.000) 23.423 2.354 ( -9.837 -1.434 0.000) 9.940 2.421 ( -8.085 -13.242 0.000) 15.516 2.776 ( -19.147 4.276 0.000) 19.619 3.027 ( -21.636 -11.125 0.000) 24.329 3.185 ( -25.813 12.870 0.000) 28.844 3.196 ( -11.437 -10.262 0.000) 15.366 3.295 ( -21.897 1.086 0.000) 21.924 3.438 ( 1.632 -8.464 0.000) 8.620 3.581 ( -18.217 0.015 0.000) 18.217 3.848 ( -15.360 0.324 0.000) 15.364 3.890 ( -7.119 -11.326 0.000) 13.378 4.332 ( -5.337 12.896 0.000) 13.957 4.531 ( -16.568 11.287 0.000) 20.047 4.865 ( 6.946 6.423 0.000) 9.460 5.348 ( 8.440 -5.066 0.000) 9.843 5.783 ( 9.525 -9.123 0.000) 13.189 7.357 ( 2.535 2.040 0.000) 3.254 7.649 ( -2.855 0.508 0.000) 2.900 8.114 ( -22.795 -9.454 0.000) 24.678 8.313 ( -10.011 -3.827 0.000) 10.718 8.590 ( -24.523 2.238 0.000) 24.625 8.644 ( -19.223 -9.726 0.000) 21.543 9.162 ( -14.903 9.213 0.000) 17.521 9.675 ( -2.121 -8.993 0.000) 9.239 9.805 ( -5.479 -4.786 0.000) 7.275 9.980 ( 3.996 -4.762 0.000) 6.217 10.399 ( 3.626 -14.672 0.000) 15.114 10.727 ( 9.835 -4.307 0.000) 10.737 11.367 ( -8.358 3.258 0.000) 8.971 11.487 ( 13.200 -0.582 0.000) 13.212 11.962 ( 15.080 11.340 0.000) 18.868 12.197 ( 12.014 -5.278 0.000) 13.122 12.613 ( -4.776 0.580 0.000) 4.811 12.861 ( -7.273 4.745 0.000) 8.684 13.498 ( 23.096 2.726 0.000) 23.256 13.909 ( 18.173 4.651 0.000) 18.759 15.510 ( 7.545 -2.350 0.000) 7.902 16.015 ( -1.707 -9.411 0.000) 9.564 16.646 ( 9.409 3.864 0.000) 10.172 17.431 ( 7.630 -4.432 0.000) 8.824 ======================= Grid point 30 (22/219) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -17.326 17.597 0.000) 24.696 1.255 ( -18.794 21.103 0.000) 28.259 2.107 ( -37.445 4.401 0.000) 37.703 2.144 ( -17.379 -1.785 0.000) 17.470 2.335 ( -19.705 4.118 0.000) 20.131 2.571 ( -15.465 -4.349 0.000) 16.065 2.813 ( -15.884 -8.857 0.000) 18.187 2.920 ( -19.166 -0.235 0.000) 19.167 2.947 ( -18.805 -1.428 0.000) 18.859 3.139 ( -23.233 4.418 0.000) 23.649 3.528 ( 2.180 -9.718 0.000) 9.959 3.657 ( -5.606 -7.117 0.000) 9.059 3.992 ( 3.292 -19.580 0.000) 19.855 4.211 ( -9.670 15.119 0.000) 17.947 4.242 ( 1.730 13.049 0.000) 13.163 4.941 ( 5.695 8.784 0.000) 10.469 5.521 ( 6.816 -4.889 0.000) 8.388 6.000 ( 7.560 -10.095 0.000) 12.612 7.386 ( 1.117 0.405 0.000) 1.188 7.491 ( -18.366 -3.515 0.000) 18.699 7.723 ( -28.023 -17.872 0.000) 33.237 8.129 ( -21.092 0.817 0.000) 21.108 8.144 ( -31.667 8.058 0.000) 32.676 8.156 ( -10.529 -3.112 0.000) 10.979 8.945 ( -2.130 5.718 0.000) 6.102 9.717 ( -0.524 -11.919 0.000) 11.930 9.753 ( -2.617 -3.552 0.000) 4.412 10.119 ( 11.662 1.721 0.000) 11.789 10.564 ( 4.119 -14.850 0.000) 15.411 10.914 ( 6.944 -5.085 0.000) 8.607 11.267 ( -1.289 -0.360 0.000) 1.338 11.798 ( 20.380 2.550 0.000) 20.538 12.135 ( 9.617 9.852 0.000) 13.768 12.390 ( 5.420 -1.750 0.000) 5.695 12.517 ( -5.112 0.338 0.000) 5.123 12.719 ( -3.562 5.546 0.000) 6.592 13.867 ( 18.378 4.487 0.000) 18.918 14.120 ( 6.261 1.310 0.000) 6.396 15.649 ( 3.134 -2.610 0.000) 4.079 16.025 ( -0.033 -5.570 0.000) 5.570 16.791 ( 7.871 2.854 0.000) 8.372 17.593 ( 6.987 -4.202 0.000) 8.153 ======================= Grid point 31 (23/219) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -14.299 24.190 0.000) 28.100 0.788 ( -16.875 26.381 0.000) 31.316 1.223 ( -43.848 20.667 0.000) 48.474 1.687 ( -24.799 -0.106 0.000) 24.800 2.140 ( -3.043 3.809 0.000) 4.875 2.330 ( -12.732 0.073 0.000) 12.732 2.594 ( -13.397 -3.296 0.000) 13.797 2.605 ( -15.776 0.530 0.000) 15.785 2.707 ( -10.623 -3.762 0.000) 11.270 2.793 ( -8.341 -13.139 0.000) 15.563 3.600 ( 1.009 -4.385 0.000) 4.500 3.691 ( 1.000 -15.336 0.000) 15.369 3.980 ( -4.184 18.016 0.000) 18.495 4.177 ( 3.466 -18.376 0.000) 18.700 4.211 ( 2.240 12.729 0.000) 12.925 4.974 ( 3.550 10.215 0.000) 10.815 5.647 ( 3.792 -4.149 0.000) 5.620 6.167 ( 4.193 -9.234 0.000) 10.141 6.894 ( -39.619 0.214 0.000) 39.619 7.178 ( -48.837 -37.679 0.000) 61.682 7.421 ( -0.669 -0.851 0.000) 1.082 7.702 ( -7.050 18.558 0.000) 19.852 7.786 ( -13.362 -0.007 0.000) 13.362 8.020 ( -6.679 -2.354 0.000) 7.081 8.948 ( 2.067 -0.287 0.000) 2.087 9.743 ( -0.559 -2.652 0.000) 2.710 9.769 ( -0.872 -11.334 0.000) 11.368 10.439 ( 26.000 7.681 0.000) 27.111 10.719 ( 8.060 -5.479 0.000) 9.746 11.045 ( 4.203 -5.156 0.000) 6.652 11.287 ( 1.145 -3.150 0.000) 3.352 12.159 ( 16.615 3.095 0.000) 16.901 12.211 ( 5.446 8.045 0.000) 9.714 12.367 ( -4.274 1.982 0.000) 4.711 12.479 ( -0.747 -0.309 0.000) 0.808 12.680 ( 1.477 4.562 0.000) 4.795 14.095 ( 3.852 -0.283 0.000) 3.862 14.158 ( 2.338 1.525 0.000) 2.792 15.555 ( -18.014 -11.699 0.000) 21.480 16.143 ( 11.611 4.219 0.000) 12.353 16.894 ( 4.465 2.206 0.000) 4.980 17.726 ( 4.532 -3.805 0.000) 5.917 ======================= Grid point 32 (24/219) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 0.000 26.795 0.000) 26.795 0.372 ( 0.000 32.665 0.000) 32.665 0.540 ( 0.000 47.597 0.000) 47.597 1.421 ( 0.000 0.590 0.000) 0.590 2.106 ( 0.000 2.788 0.000) 2.788 2.192 ( -0.000 -0.062 0.000) 0.062 2.435 ( 0.000 0.612 0.000) 0.612 2.469 ( -0.000 -2.035 0.000) 2.035 2.558 ( 0.000 2.085 0.000) 2.085 2.860 ( -0.000 -19.116 0.000) 19.116 3.629 ( -0.000 -2.577 0.000) 2.577 3.803 ( -0.000 -16.794 0.000) 16.794 3.843 ( 0.000 16.540 0.000) 16.540 4.164 ( 0.000 13.040 0.000) 13.040 4.344 ( -0.000 -17.550 0.000) 17.550 4.959 ( 0.000 10.209 0.000) 10.209 5.704 ( -0.000 -2.924 0.000) 2.924 6.177 ( 0.000 4.982 0.000) 4.982 6.261 ( -0.000 -5.642 0.000) 5.642 6.436 ( 0.000 5.074 0.000) 5.074 7.426 ( -0.000 -0.274 0.000) 0.274 7.557 ( 0.000 13.494 0.000) 13.494 7.659 ( -0.000 -0.271 0.000) 0.271 7.951 ( 0.000 0.475 0.000) 0.475 8.978 ( -0.000 -1.384 0.000) 1.384 9.753 ( -0.000 -1.833 0.000) 1.833 9.817 ( -0.000 -8.394 0.000) 8.394 10.731 ( -0.000 -14.101 0.000) 14.101 11.118 ( -0.000 -4.449 0.000) 4.449 11.170 ( -0.000 -4.375 0.000) 4.375 11.317 ( -0.000 -2.949 0.000) 2.949 12.190 ( 0.000 6.164 0.000) 6.164 12.311 ( 0.000 1.695 0.000) 1.695 12.345 ( 0.000 1.698 0.000) 1.698 12.466 ( 0.000 0.384 0.000) 0.384 12.677 ( 0.000 3.411 0.000) 3.411 14.003 ( 0.000 0.271 0.000) 0.271 14.205 ( 0.000 3.311 0.000) 3.311 15.204 ( 0.000 0.870 0.000) 0.870 16.321 ( 0.000 0.140 0.000) 0.140 16.926 ( 0.000 1.577 0.000) 1.577 17.790 ( -0.000 -2.824 0.000) 2.824 ======================= Grid point 35 (25/219) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 18.360 0.000 0.000) 18.360 1.850 ( 18.346 0.000 0.000) 18.346 2.643 ( 13.078 0.000 0.000) 13.078 2.823 ( 0.253 0.000 0.000) 0.253 2.838 ( 3.284 0.000 0.000) 3.284 3.096 ( 10.065 0.000 0.000) 10.065 3.499 ( -4.148 -0.000 0.000) 4.148 3.624 ( 2.293 0.000 0.000) 2.293 3.727 ( 16.047 0.000 0.000) 16.047 3.832 ( 31.558 0.000 0.000) 31.558 3.882 ( 19.928 0.000 0.000) 19.928 4.038 ( 15.350 0.000 0.000) 15.350 4.052 ( -3.610 -0.000 0.000) 3.610 4.353 ( 18.394 0.000 0.000) 18.394 4.675 ( 0.852 0.000 0.000) 0.852 4.760 ( 23.982 0.000 0.000) 23.982 5.273 ( -5.789 -0.000 0.000) 5.789 5.686 ( -13.020 -0.000 0.000) 13.020 7.240 ( -5.184 -0.000 0.000) 5.184 7.643 ( -2.216 -0.000 0.000) 2.216 8.381 ( 11.328 0.000 0.000) 11.328 8.840 ( 18.097 0.000 0.000) 18.097 8.970 ( 18.514 0.000 0.000) 18.514 9.039 ( 10.625 0.000 0.000) 10.625 9.389 ( 16.790 0.000 0.000) 16.790 9.761 ( 1.687 0.000 0.000) 1.687 10.059 ( 10.959 0.000 0.000) 10.959 10.067 ( 1.662 0.000 0.000) 1.662 10.566 ( -11.914 -0.000 0.000) 11.914 10.573 ( -0.463 -0.000 0.000) 0.463 11.392 ( -21.500 -0.000 0.000) 21.500 11.406 ( -3.926 -0.000 0.000) 3.926 11.442 ( 6.150 0.000 0.000) 6.150 12.073 ( -14.290 -0.000 0.000) 14.290 12.779 ( 9.466 0.000 0.000) 9.466 12.888 ( 6.723 0.000 0.000) 6.723 13.116 ( -17.419 -0.000 0.000) 17.419 13.354 ( -29.527 -0.000 0.000) 29.527 15.412 ( -6.915 -0.000 0.000) 6.915 16.174 ( -0.609 -0.000 0.000) 0.609 16.399 ( -9.843 -0.000 0.000) 9.843 17.349 ( -8.027 -0.000 0.000) 8.027 ======================= Grid point 36 (26/219) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 12.821 -1.208 0.000) 12.878 2.129 ( 11.164 -0.879 0.000) 11.199 2.799 ( -1.076 2.433 0.000) 2.661 2.824 ( 2.308 5.592 0.000) 6.050 2.916 ( 10.013 -5.488 0.000) 11.419 3.275 ( 7.698 -2.226 0.000) 8.013 3.422 ( -3.424 1.090 0.000) 3.594 3.573 ( -4.858 0.748 0.000) 4.916 3.782 ( -1.945 11.447 0.000) 11.611 4.093 ( 3.477 -11.083 0.000) 11.616 4.163 ( 13.800 1.578 0.000) 13.890 4.366 ( 17.031 5.592 0.000) 17.925 4.401 ( 20.910 -1.226 0.000) 20.946 4.566 ( 1.396 -7.339 0.000) 7.471 4.755 ( 8.192 1.302 0.000) 8.294 5.193 ( 20.863 -0.360 0.000) 20.866 5.310 ( 11.532 0.552 0.000) 11.546 5.487 ( -5.649 -0.657 0.000) 5.687 7.141 ( -5.587 -1.217 0.000) 5.718 7.584 ( -3.704 -0.252 0.000) 3.713 8.607 ( 13.205 -0.671 0.000) 13.222 9.163 ( 12.105 4.795 0.000) 13.020 9.199 ( 10.771 -1.916 0.000) 10.940 9.276 ( 14.800 2.599 0.000) 15.026 9.540 ( 0.021 -0.573 0.000) 0.574 9.822 ( 1.611 2.853 0.000) 3.276 10.105 ( 4.379 1.355 0.000) 4.584 10.283 ( 13.292 2.270 0.000) 13.484 10.418 ( -2.324 -0.528 0.000) 2.383 10.622 ( 6.763 4.833 0.000) 8.312 11.051 ( -14.201 -7.481 0.000) 16.051 11.322 ( -5.545 0.910 0.000) 5.619 11.484 ( -2.524 -0.298 0.000) 2.542 11.769 ( -17.642 0.828 0.000) 17.661 12.733 ( -28.588 7.268 0.000) 29.497 12.839 ( -20.383 -7.379 0.000) 21.678 12.955 ( 8.846 2.290 0.000) 9.138 12.991 ( 3.806 -2.113 0.000) 4.353 15.297 ( -5.225 0.219 0.000) 5.230 16.132 ( -3.050 1.811 0.000) 3.547 16.237 ( -7.635 -1.079 0.000) 7.711 17.197 ( -8.040 0.721 0.000) 8.072 ======================= Grid point 37 (27/219) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 7.865 -1.532 0.000) 8.013 2.275 ( 4.765 0.465 0.000) 4.787 2.770 ( -1.376 0.297 0.000) 1.408 2.795 ( -1.825 1.308 0.000) 2.245 3.143 ( 10.487 1.422 0.000) 10.583 3.369 ( 2.288 3.263 0.000) 3.985 3.371 ( -1.400 0.211 0.000) 1.416 3.478 ( -4.197 -0.910 0.000) 4.295 3.729 ( 3.071 5.318 0.000) 6.141 4.163 ( -1.034 -7.559 0.000) 7.630 4.337 ( 4.225 7.036 0.000) 8.207 4.380 ( -7.928 4.604 0.000) 9.167 4.603 ( 2.090 -11.090 0.000) 11.285 4.745 ( 12.036 -5.244 0.000) 13.128 4.940 ( 9.169 0.675 0.000) 9.193 5.400 ( 10.422 12.656 0.000) 16.395 5.606 ( 17.049 -0.592 0.000) 17.060 5.672 ( 16.417 -10.339 0.000) 19.401 7.059 ( -3.991 -2.384 0.000) 4.649 7.521 ( -3.061 -0.539 0.000) 3.108 8.864 ( 12.473 3.431 0.000) 12.937 9.150 ( -5.472 -3.177 0.000) 6.328 9.365 ( -7.301 7.508 0.000) 10.472 9.501 ( 17.268 4.339 0.000) 17.805 9.619 ( 14.101 -3.895 0.000) 14.630 9.708 ( -8.438 3.969 0.000) 9.325 10.195 ( 5.306 6.737 0.000) 8.576 10.490 ( 8.806 -0.068 0.000) 8.806 10.511 ( 11.708 2.571 0.000) 11.987 10.793 ( 12.997 -0.948 0.000) 13.032 10.981 ( -1.269 -6.812 0.000) 6.929 11.182 ( -8.248 -1.590 0.000) 8.400 11.318 ( -14.783 5.909 0.000) 15.920 11.459 ( -14.857 -5.024 0.000) 15.684 12.150 ( -27.495 4.204 0.000) 27.815 12.538 ( -16.859 -2.770 0.000) 17.085 13.012 ( -0.383 0.389 0.000) 0.546 13.096 ( 5.365 0.719 0.000) 5.413 15.212 ( -3.557 1.690 0.000) 3.938 16.054 ( -3.892 1.373 0.000) 4.128 16.133 ( -4.241 -1.441 0.000) 4.479 17.049 ( -7.175 0.700 0.000) 7.209 ======================= Grid point 38 (28/219) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 4.989 -1.687 0.000) 5.267 2.320 ( 1.172 1.064 0.000) 1.583 2.728 ( -2.810 1.656 0.000) 3.261 2.754 ( -2.023 0.413 0.000) 2.065 3.214 ( -0.171 5.658 0.000) 5.661 3.340 ( -2.223 0.655 0.000) 2.317 3.378 ( 1.825 0.959 0.000) 2.062 3.516 ( 6.051 -5.170 0.000) 7.959 3.801 ( 4.986 2.452 0.000) 5.556 4.091 ( -9.160 3.692 0.000) 9.876 4.193 ( -8.843 1.707 0.000) 9.006 4.317 ( 0.597 -1.545 0.000) 1.656 4.720 ( 1.552 -14.405 0.000) 14.488 4.956 ( 8.224 -0.870 0.000) 8.270 5.038 ( 2.285 0.362 0.000) 2.314 5.539 ( 11.477 16.228 0.000) 19.876 5.882 ( 11.018 -1.546 0.000) 11.126 6.004 ( 11.745 -9.788 0.000) 15.289 7.031 ( -0.035 -2.113 0.000) 2.113 7.482 ( -1.317 -0.450 0.000) 1.392 8.790 ( -12.071 8.371 0.000) 14.689 9.144 ( -11.038 3.179 0.000) 11.487 9.247 ( 9.023 -5.698 0.000) 10.672 9.573 ( -4.087 0.515 0.000) 4.120 9.765 ( 12.451 4.398 0.000) 13.205 9.943 ( 17.834 -1.009 0.000) 17.863 10.228 ( 3.157 4.703 0.000) 5.664 10.638 ( 5.280 2.881 0.000) 6.015 10.704 ( 8.010 -1.473 0.000) 8.144 10.827 ( -15.174 -6.544 0.000) 16.525 10.962 ( -15.531 6.755 0.000) 16.936 11.001 ( 3.820 0.942 0.000) 3.934 11.237 ( -12.560 -4.878 0.000) 13.474 11.270 ( 15.492 -4.154 0.000) 16.039 11.726 ( -14.601 3.676 0.000) 15.056 12.231 ( -16.982 -0.677 0.000) 16.995 12.971 ( -2.525 2.532 0.000) 3.576 13.161 ( 1.576 -0.932 0.000) 1.831 15.138 ( -2.447 5.022 0.000) 5.586 15.988 ( -3.195 -1.867 0.000) 3.700 16.093 ( -0.688 -0.426 0.000) 0.809 16.935 ( -4.663 -0.249 0.000) 4.669 ======================= Grid point 39 (29/219) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.081 -0.559 0.000) 0.565 2.401 ( 3.197 -1.266 0.000) 3.439 2.649 ( -3.510 4.551 0.000) 5.748 2.714 ( -2.041 0.287 0.000) 2.061 3.143 ( -3.456 3.452 0.000) 4.885 3.304 ( -1.748 -0.181 0.000) 1.757 3.448 ( 3.536 -6.973 0.000) 7.818 3.651 ( 4.119 -3.486 0.000) 5.396 3.759 ( -10.605 5.667 0.000) 12.024 3.947 ( 0.901 3.325 0.000) 3.445 4.068 ( -2.832 0.834 0.000) 2.952 4.384 ( 4.566 -2.120 0.000) 5.034 4.792 ( -2.727 -13.901 0.000) 14.166 5.045 ( -0.968 -0.200 0.000) 0.988 5.054 ( 2.524 1.242 0.000) 2.813 5.601 ( 5.062 17.320 0.000) 18.045 6.010 ( 1.553 -1.265 0.000) 2.003 6.186 ( 2.058 -7.227 0.000) 7.514 7.084 ( 4.977 0.332 0.000) 4.988 7.479 ( 0.870 0.016 0.000) 0.871 8.537 ( -9.830 2.656 0.000) 10.182 8.952 ( -8.821 -1.782 0.000) 9.000 9.368 ( 1.692 -0.853 0.000) 1.895 9.518 ( -4.774 -3.631 0.000) 5.998 9.833 ( -3.245 2.460 0.000) 4.072 10.233 ( 7.671 1.318 0.000) 7.783 10.258 ( -1.619 -0.107 0.000) 1.623 10.560 ( -7.723 0.150 0.000) 7.725 10.642 ( -6.593 0.729 0.000) 6.633 10.707 ( 3.329 -2.267 0.000) 4.028 10.898 ( -1.253 -0.640 0.000) 1.407 10.989 ( -1.676 -0.334 0.000) 1.709 11.138 ( 4.669 -0.426 0.000) 4.688 11.517 ( 2.024 2.341 0.000) 3.095 11.625 ( 4.029 -1.556 0.000) 4.319 11.975 ( -4.519 -0.607 0.000) 4.560 12.915 ( -1.096 2.906 0.000) 3.105 13.170 ( -1.506 -2.204 0.000) 2.669 15.075 ( -0.287 6.803 0.000) 6.810 15.951 ( -3.161 -4.903 0.000) 5.834 16.110 ( 2.696 1.390 0.000) 3.033 16.884 ( -1.283 -1.387 0.000) 1.889 ======================= Grid point 40 (30/219) ======================= q-point: (-0.56 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.182 -2.719 0.000) 2.725 2.438 ( 0.394 1.616 0.000) 1.663 2.560 ( -3.203 3.805 0.000) 4.973 2.680 ( -1.534 -1.189 0.000) 1.941 3.069 ( -3.128 0.507 0.000) 3.169 3.266 ( -3.194 -2.521 0.000) 4.069 3.477 ( -13.367 2.502 0.000) 13.599 3.581 ( 2.988 -10.716 0.000) 11.125 3.683 ( -0.961 0.704 0.000) 1.192 3.966 ( 2.214 5.689 0.000) 6.105 4.092 ( 4.492 -0.979 0.000) 4.598 4.488 ( 5.732 0.899 0.000) 5.802 4.777 ( -7.036 -13.693 0.000) 15.395 5.008 ( -3.485 -0.646 0.000) 3.544 5.044 ( -2.077 2.265 0.000) 3.073 5.533 ( -1.454 17.180 0.000) 17.242 5.946 ( -8.814 0.365 0.000) 8.822 6.156 ( -8.290 -3.386 0.000) 8.955 7.193 ( 7.255 3.601 0.000) 8.099 7.513 ( 2.829 0.596 0.000) 2.892 8.420 ( -3.615 -5.188 0.000) 6.323 8.844 ( -5.666 -7.558 0.000) 9.446 9.333 ( -11.967 -8.881 0.000) 14.902 9.395 ( -4.259 2.346 0.000) 4.863 9.710 ( -6.912 1.605 0.000) 7.095 10.049 ( -16.130 2.794 0.000) 16.370 10.182 ( -4.384 0.881 0.000) 4.472 10.441 ( -13.758 -3.565 0.000) 14.212 10.693 ( 4.734 -3.479 0.000) 5.875 10.697 ( -9.209 -3.914 0.000) 10.006 10.857 ( 6.158 3.620 0.000) 7.144 11.180 ( 19.435 0.982 0.000) 19.460 11.328 ( 11.793 -0.966 0.000) 11.833 11.435 ( -12.841 1.207 0.000) 12.897 11.596 ( 6.826 0.464 0.000) 6.842 12.227 ( 21.904 -1.528 0.000) 21.958 12.912 ( 2.021 0.973 0.000) 2.243 13.129 ( -4.295 -2.319 0.000) 4.881 15.067 ( 3.297 4.878 0.000) 5.888 15.912 ( -4.663 -6.106 0.000) 7.683 16.177 ( 5.799 2.980 0.000) 6.520 16.898 ( 1.574 -2.040 0.000) 2.577 ======================= Grid point 41 (31/219) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.128 -0.480 0.000) 0.497 2.385 ( -3.780 5.973 0.000) 7.069 2.498 ( -2.907 -3.224 0.000) 4.341 2.670 ( -1.600 -3.280 0.000) 3.649 3.020 ( -2.508 -1.939 0.000) 3.171 3.214 ( -12.439 1.651 0.000) 12.548 3.221 ( -3.550 -4.987 0.000) 6.121 3.634 ( -3.108 2.635 0.000) 4.075 3.699 ( 0.522 -14.167 0.000) 14.176 3.945 ( -0.773 7.727 0.000) 7.765 4.194 ( 4.519 -1.100 0.000) 4.651 4.557 ( 0.174 0.592 0.000) 0.617 4.703 ( -6.246 -8.444 0.000) 10.503 4.902 ( -8.898 0.052 0.000) 8.898 4.978 ( -2.597 2.430 0.000) 3.557 5.385 ( -3.532 14.148 0.000) 14.582 5.685 ( -18.044 2.357 0.000) 18.198 5.929 ( -16.516 0.379 0.000) 16.520 7.293 ( 5.949 5.801 0.000) 8.309 7.571 ( 3.791 1.204 0.000) 3.978 8.437 ( -1.217 -12.386 0.000) 12.446 8.821 ( -3.268 -12.551 0.000) 12.970 9.066 ( -18.777 -8.752 0.000) 20.716 9.355 ( -0.215 3.106 0.000) 3.114 9.571 ( -7.364 0.653 0.000) 7.393 9.754 ( -13.672 0.779 0.000) 13.694 10.103 ( -3.799 1.055 0.000) 3.942 10.199 ( -14.364 -5.534 0.000) 15.393 10.497 ( -14.970 -7.306 0.000) 16.657 10.620 ( -5.982 2.411 0.000) 6.450 11.139 ( 18.315 -0.194 0.000) 18.316 11.169 ( -9.486 -2.016 0.000) 9.698 11.502 ( 12.437 7.292 0.000) 14.417 11.537 ( 9.003 -2.105 0.000) 9.245 11.925 ( 26.450 -2.754 0.000) 26.593 12.670 ( 25.006 1.048 0.000) 25.028 12.968 ( 3.308 -1.234 0.000) 3.531 13.033 ( -7.137 -1.322 0.000) 7.258 15.142 ( 6.263 1.265 0.000) 6.390 15.848 ( -5.884 -7.277 0.000) 9.358 16.287 ( 7.975 4.197 0.000) 9.012 16.961 ( 3.694 -2.745 0.000) 4.602 ======================= Grid point 42 (32/219) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -7.482 8.618 0.000) 11.412 2.318 ( -2.350 5.439 0.000) 5.924 2.469 ( -5.964 -9.571 0.000) 11.277 2.625 ( -5.359 -2.062 0.000) 5.742 3.003 ( -0.855 -3.473 0.000) 3.577 3.029 ( -7.140 -4.385 0.000) 8.379 3.206 ( -1.484 -6.706 0.000) 6.868 3.524 ( -8.706 -0.329 0.000) 8.712 3.723 ( -6.982 -13.211 0.000) 14.942 3.840 ( -5.930 7.707 0.000) 9.724 4.232 ( -0.606 2.263 0.000) 2.343 4.404 ( -16.129 -1.038 0.000) 16.163 4.648 ( -15.443 4.360 0.000) 16.047 4.711 ( 2.277 0.765 0.000) 2.402 4.959 ( 2.163 2.473 0.000) 3.285 5.275 ( -23.069 2.255 0.000) 23.179 5.285 ( -2.463 6.087 0.000) 6.566 5.583 ( -16.941 1.678 0.000) 17.024 7.346 ( 3.447 5.843 0.000) 6.784 7.632 ( 3.387 1.643 0.000) 3.764 8.452 ( -7.065 -14.738 0.000) 16.344 8.767 ( -16.517 -3.063 0.000) 16.799 8.829 ( -5.235 -13.604 0.000) 14.576 9.322 ( -5.849 3.787 0.000) 6.968 9.462 ( -1.329 -6.133 0.000) 6.276 9.549 ( -8.634 -2.142 0.000) 8.896 9.983 ( -12.021 -6.100 0.000) 13.480 9.991 ( -10.115 -2.204 0.000) 10.352 10.277 ( -10.724 -7.444 0.000) 13.055 10.523 ( -1.696 3.544 0.000) 3.929 11.107 ( 0.392 -6.126 0.000) 6.139 11.477 ( 17.094 -0.690 0.000) 17.108 11.663 ( 2.784 -2.797 0.000) 3.946 11.679 ( 13.350 11.292 0.000) 17.485 12.484 ( 30.299 -2.222 0.000) 30.380 12.881 ( -8.946 -0.092 0.000) 8.946 13.028 ( 1.422 -1.193 0.000) 1.856 13.136 ( 26.488 4.123 0.000) 26.807 15.261 ( 5.926 -0.815 0.000) 5.981 15.800 ( -3.916 -10.321 0.000) 11.038 16.418 ( 8.826 5.151 0.000) 10.219 17.066 ( 5.579 -3.992 0.000) 6.860 ======================= Grid point 43 (33/219) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -11.288 11.546 0.000) 16.148 2.185 ( -8.120 11.394 0.000) 13.992 2.365 ( -9.308 -10.255 0.000) 13.849 2.504 ( -7.810 -0.323 0.000) 7.817 3.001 ( -3.265 -12.596 0.000) 13.012 3.015 ( -0.574 -1.532 0.000) 1.636 3.207 ( -7.341 -7.375 0.000) 10.406 3.327 ( -10.034 -7.669 0.000) 12.629 3.587 ( -14.588 -13.201 0.000) 19.674 3.634 ( -12.289 5.708 0.000) 13.550 3.991 ( -24.916 9.041 0.000) 26.506 4.141 ( -7.562 5.139 0.000) 9.143 4.266 ( -21.572 4.807 0.000) 22.101 4.762 ( -18.898 9.880 0.000) 21.325 4.794 ( 5.744 0.707 0.000) 5.788 5.031 ( -17.719 8.447 0.000) 19.630 5.114 ( 5.525 -5.732 0.000) 7.961 5.500 ( 4.576 -5.769 0.000) 7.363 7.366 ( 2.052 4.123 0.000) 4.605 7.672 ( 1.715 1.635 0.000) 2.370 8.303 ( -18.210 -15.238 0.000) 23.745 8.509 ( -10.589 3.740 0.000) 11.231 8.743 ( -11.669 -11.138 0.000) 16.132 9.052 ( -18.977 2.974 0.000) 19.209 9.430 ( -7.114 -1.696 0.000) 7.314 9.582 ( 3.602 -7.749 0.000) 8.545 9.804 ( -8.181 -9.869 0.000) 12.819 9.832 ( -7.710 -5.779 0.000) 9.635 10.196 ( -4.351 -9.629 0.000) 10.566 10.539 ( 4.755 0.539 0.000) 4.785 11.234 ( 9.234 -4.673 0.000) 10.349 11.590 ( -5.788 3.200 0.000) 6.614 11.839 ( 14.978 -5.682 0.000) 16.020 11.881 ( 15.437 12.679 0.000) 19.977 12.728 ( -6.587 1.063 0.000) 6.673 13.016 ( -3.151 0.751 0.000) 3.239 13.042 ( 28.637 0.335 0.000) 28.639 13.594 ( 25.038 5.734 0.000) 25.687 15.360 ( 4.385 -1.934 0.000) 4.792 15.831 ( -0.231 -12.673 0.000) 12.675 16.554 ( 9.049 5.304 0.000) 10.489 17.210 ( 6.964 -5.034 0.000) 8.593 ======================= Grid point 44 (34/219) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -13.701 15.541 0.000) 20.718 1.887 ( -14.317 16.428 0.000) 21.791 2.276 ( -7.759 -12.244 0.000) 14.496 2.351 ( -8.523 0.904 0.000) 8.571 2.808 ( -22.682 1.021 0.000) 22.705 2.903 ( -17.493 -10.163 0.000) 20.231 3.083 ( -5.502 -9.264 0.000) 10.775 3.299 ( -26.745 1.283 0.000) 26.776 3.317 ( -18.818 5.418 0.000) 19.583 3.334 ( 0.057 -9.673 0.000) 9.673 3.543 ( -12.863 -3.679 0.000) 13.379 3.824 ( -20.953 -0.094 0.000) 20.953 3.860 ( -18.903 1.534 0.000) 18.966 4.472 ( -4.807 11.807 0.000) 12.748 4.655 ( -13.614 10.238 0.000) 17.034 4.926 ( 7.324 4.270 0.000) 8.478 5.284 ( 7.967 -6.042 0.000) 9.999 5.671 ( 7.450 -10.487 0.000) 12.864 7.381 ( 1.546 2.179 0.000) 2.672 7.661 ( -2.896 1.571 0.000) 3.295 7.978 ( -24.538 -12.795 0.000) 27.673 8.313 ( -9.275 2.309 0.000) 9.558 8.527 ( -18.372 -10.758 0.000) 21.290 8.620 ( -24.728 2.914 0.000) 24.899 9.254 ( -10.064 6.810 0.000) 12.151 9.560 ( -5.840 -10.934 0.000) 12.396 9.753 ( -4.403 -4.329 0.000) 6.175 9.904 ( 6.662 -8.575 0.000) 10.859 10.225 ( 0.611 -15.864 0.000) 15.876 10.677 ( 8.018 -4.266 0.000) 9.082 11.405 ( -9.474 3.390 0.000) 10.062 11.486 ( 16.456 0.388 0.000) 16.461 12.092 ( 13.972 11.477 0.000) 18.082 12.142 ( 13.712 -4.317 0.000) 14.375 12.626 ( -4.109 1.651 0.000) 4.428 12.907 ( -6.571 3.299 0.000) 7.353 13.534 ( 25.255 3.675 0.000) 25.521 13.962 ( 16.581 4.644 0.000) 17.219 15.480 ( 7.486 -2.929 0.000) 8.039 15.897 ( -0.690 -11.295 0.000) 11.316 16.695 ( 8.963 4.554 0.000) 10.054 17.375 ( 7.368 -5.375 0.000) 9.120 ======================= Grid point 45 (35/219) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -13.105 20.525 0.000) 24.352 1.497 ( -15.835 20.770 0.000) 26.118 2.126 ( -20.216 -2.500 0.000) 20.370 2.135 ( -18.136 0.149 0.000) 18.136 2.370 ( -17.864 1.938 0.000) 17.969 2.515 ( -19.678 -4.185 0.000) 20.118 2.773 ( -22.938 2.570 0.000) 23.082 2.921 ( -21.097 0.355 0.000) 21.100 2.934 ( -15.398 -0.760 0.000) 15.417 3.191 ( -23.678 4.535 0.000) 24.108 3.392 ( -0.472 -13.252 0.000) 13.261 3.595 ( -7.537 -4.788 0.000) 8.929 3.750 ( 0.872 -22.592 0.000) 22.608 4.386 ( 1.294 12.319 0.000) 12.387 4.390 ( -7.117 15.874 0.000) 17.397 5.027 ( 6.215 5.980 0.000) 8.625 5.457 ( 6.489 -6.354 0.000) 9.082 5.869 ( 6.401 -12.749 0.000) 14.266 7.386 ( -2.579 -0.717 0.000) 2.677 7.474 ( -19.669 0.487 0.000) 19.675 7.543 ( -28.573 -12.448 0.000) 31.167 8.133 ( -12.758 0.278 0.000) 12.761 8.152 ( -18.936 1.431 0.000) 18.990 8.185 ( -19.843 -1.133 0.000) 19.876 9.045 ( -4.620 11.705 0.000) 12.584 9.561 ( -2.535 -14.986 0.000) 15.199 9.712 ( -2.234 -3.556 0.000) 4.199 10.079 ( 8.295 -9.247 0.000) 12.422 10.398 ( 8.354 -13.474 0.000) 15.853 10.847 ( 6.164 -6.620 0.000) 9.045 11.268 ( -3.447 0.730 0.000) 3.524 11.834 ( 21.565 3.657 0.000) 21.873 12.250 ( 9.185 10.217 0.000) 13.739 12.370 ( 8.210 -1.636 0.000) 8.372 12.530 ( -5.440 1.691 0.000) 5.697 12.778 ( -3.652 4.718 0.000) 5.967 13.924 ( 18.795 5.454 0.000) 19.570 14.138 ( 4.637 1.848 0.000) 4.992 15.608 ( -0.337 -4.740 0.000) 4.752 15.962 ( 5.448 -5.220 0.000) 7.545 16.829 ( 7.651 3.659 0.000) 8.481 17.538 ( 6.632 -5.476 0.000) 8.601 ======================= Grid point 46 (36/219) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -8.881 26.743 0.000) 28.179 1.053 ( -20.948 20.071 0.000) 29.011 1.527 ( -24.730 31.002 0.000) 39.657 1.687 ( -23.716 0.094 0.000) 23.716 2.189 ( -2.937 4.627 0.000) 5.481 2.331 ( -11.324 -0.055 0.000) 11.324 2.499 ( -7.382 -17.751 0.000) 19.225 2.585 ( -14.146 -4.063 0.000) 14.718 2.614 ( -15.387 1.128 0.000) 15.428 2.777 ( -16.785 2.516 0.000) 16.973 3.479 ( 0.599 -16.273 0.000) 16.284 3.574 ( -0.330 -6.073 0.000) 6.082 3.928 ( 2.819 -24.231 0.000) 24.394 4.199 ( -3.011 19.202 0.000) 19.437 4.350 ( 1.792 11.880 0.000) 12.015 5.082 ( 3.948 8.252 0.000) 9.148 5.589 ( 3.686 -6.091 0.000) 7.120 6.041 ( 4.131 -12.633 0.000) 13.291 6.897 ( -43.652 -13.509 0.000) 45.695 6.921 ( -32.216 4.647 0.000) 32.550 7.418 ( -0.004 -0.133 0.000) 0.134 7.786 ( -13.925 -0.027 0.000) 13.925 7.904 ( -6.368 14.742 0.000) 16.059 8.011 ( -5.147 -0.048 0.000) 5.147 8.969 ( 0.687 5.286 0.000) 5.330 9.611 ( -1.722 -16.187 0.000) 16.279 9.709 ( -0.338 -3.220 0.000) 3.237 10.324 ( 6.832 -20.876 0.000) 21.965 10.711 ( 22.788 -0.350 0.000) 22.791 10.971 ( 3.009 -7.684 0.000) 8.252 11.251 ( 0.087 -2.827 0.000) 2.828 12.198 ( 17.760 3.752 0.000) 18.152 12.312 ( 3.534 9.281 0.000) 9.931 12.394 ( -3.911 2.715 0.000) 4.761 12.480 ( 0.824 0.579 0.000) 1.007 12.734 ( 1.051 4.594 0.000) 4.713 14.089 ( -2.297 0.016 0.000) 2.297 14.202 ( 7.824 5.255 0.000) 9.425 15.456 ( -17.290 -6.467 0.000) 18.460 16.172 ( 13.026 1.300 0.000) 13.090 16.925 ( 4.463 3.132 0.000) 5.453 17.673 ( 4.226 -5.535 0.000) 6.964 ======================= Grid point 47 (37/219) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 24.610 0.000) 24.610 0.736 ( 0.000 31.563 0.000) 31.563 1.073 ( 0.000 46.521 0.000) 46.521 1.430 ( 0.000 0.979 0.000) 0.979 2.148 ( 0.000 4.423 0.000) 4.423 2.191 ( -0.000 -0.159 0.000) 0.159 2.444 ( -0.000 -2.285 0.000) 2.285 2.445 ( 0.000 1.104 0.000) 1.104 2.584 ( 0.000 2.431 0.000) 2.431 2.606 ( -0.000 -24.117 0.000) 24.117 3.572 ( -0.000 -11.078 0.000) 11.078 3.620 ( -0.000 -11.644 0.000) 11.644 4.058 ( 0.000 19.730 0.000) 19.730 4.104 ( -0.000 -23.529 0.000) 23.529 4.304 ( 0.000 11.782 0.000) 11.782 5.076 ( 0.000 9.516 0.000) 9.516 5.657 ( -0.000 -5.290 0.000) 5.290 6.168 ( -0.000 -10.738 0.000) 10.738 6.259 ( 0.000 9.353 0.000) 9.353 6.519 ( 0.000 9.451 0.000) 9.451 7.422 ( -0.000 -0.508 0.000) 0.508 7.655 ( -0.000 -0.512 0.000) 0.512 7.751 ( 0.000 18.860 0.000) 18.860 7.958 ( 0.000 0.670 0.000) 0.670 8.967 ( 0.000 0.483 0.000) 0.483 9.683 ( -0.000 -14.839 0.000) 14.839 9.725 ( -0.000 -2.855 0.000) 2.855 10.513 ( -0.000 -23.428 0.000) 23.428 11.047 ( -0.000 -7.901 0.000) 7.901 11.100 ( -0.000 -7.781 0.000) 7.781 11.275 ( -0.000 -4.060 0.000) 4.060 12.278 ( 0.000 8.828 0.000) 8.828 12.337 ( 0.000 2.705 0.000) 2.705 12.371 ( 0.000 2.724 0.000) 2.724 12.476 ( 0.000 1.511 0.000) 1.511 12.724 ( 0.000 4.538 0.000) 4.538 14.012 ( 0.000 1.410 0.000) 1.410 14.254 ( 0.000 5.132 0.000) 5.132 15.217 ( 0.000 1.237 0.000) 1.237 16.322 ( 0.000 0.042 0.000) 0.042 16.951 ( 0.000 2.760 0.000) 2.760 17.745 ( -0.000 -5.063 0.000) 5.063 ======================= Grid point 52 (38/219) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 8.041 0.000 0.000) 8.041 2.279 ( 5.297 0.000 0.000) 5.297 2.770 ( -2.037 -0.000 0.000) 2.037 2.802 ( -2.571 -0.000 0.000) 2.571 3.151 ( 12.651 0.000 0.000) 12.651 3.370 ( -2.371 -0.000 0.000) 2.371 3.386 ( 3.341 0.000 0.000) 3.341 3.475 ( -4.985 -0.000 0.000) 4.985 3.775 ( 0.416 0.000 0.000) 0.416 4.099 ( 0.807 0.000 0.000) 0.807 4.409 ( 11.102 0.000 0.000) 11.102 4.409 ( -10.861 -0.000 0.000) 10.861 4.515 ( -5.680 -0.000 0.000) 5.680 4.711 ( 15.488 0.000 0.000) 15.488 4.944 ( 8.754 0.000 0.000) 8.754 5.523 ( 10.438 0.000 0.000) 10.438 5.562 ( 17.572 0.000 0.000) 17.572 5.603 ( 16.727 0.000 0.000) 16.727 7.045 ( -3.855 -0.000 0.000) 3.855 7.518 ( -3.028 -0.000 0.000) 3.028 8.884 ( 16.387 0.000 0.000) 16.387 9.130 ( -8.894 -0.000 0.000) 8.894 9.413 ( -11.427 -0.000 0.000) 11.427 9.526 ( 16.943 0.000 0.000) 16.943 9.592 ( 17.733 0.000 0.000) 17.733 9.731 ( -9.483 -0.000 0.000) 9.483 10.243 ( 5.976 0.000 0.000) 5.976 10.485 ( 8.491 0.000 0.000) 8.491 10.530 ( 11.796 0.000 0.000) 11.796 10.769 ( 5.863 0.000 0.000) 5.863 10.953 ( 7.199 0.000 0.000) 7.199 11.172 ( -10.666 -0.000 0.000) 10.666 11.370 ( -9.324 -0.000 0.000) 9.324 11.412 ( -20.347 -0.000 0.000) 20.347 12.175 ( -28.235 -0.000 0.000) 28.235 12.521 ( -15.639 -0.000 0.000) 15.639 13.014 ( 0.110 0.000 0.000) 0.110 13.101 ( 4.989 0.000 0.000) 4.989 15.222 ( -2.922 -0.000 0.000) 2.922 16.062 ( -4.780 -0.000 0.000) 4.780 16.125 ( -3.928 -0.000 0.000) 3.928 17.053 ( -7.449 -0.000 0.000) 7.449 ======================= Grid point 53 (39/219) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 5.173 -0.566 0.000) 5.204 2.332 ( 0.951 0.688 0.000) 1.174 2.735 ( -1.752 0.013 0.000) 1.752 2.756 ( -2.286 0.063 0.000) 2.287 3.273 ( -0.742 4.054 0.000) 4.122 3.337 ( -2.172 -1.114 0.000) 2.441 3.391 ( -1.164 0.780 0.000) 1.401 3.469 ( 6.236 -2.466 0.000) 6.706 3.835 ( 5.766 2.571 0.000) 6.313 4.087 ( -5.826 -2.237 0.000) 6.240 4.206 ( -9.637 0.585 0.000) 9.655 4.340 ( -4.988 3.693 0.000) 6.206 4.589 ( 4.434 -7.590 0.000) 8.790 4.950 ( 9.635 -0.265 0.000) 9.639 5.041 ( 2.171 0.130 0.000) 2.175 5.711 ( 12.181 13.748 0.000) 18.368 5.869 ( 10.942 -0.597 0.000) 10.958 5.881 ( 11.625 -11.560 0.000) 16.395 7.015 ( 0.822 -0.732 0.000) 1.100 7.479 ( -1.129 -0.160 0.000) 1.140 8.866 ( -15.642 4.148 0.000) 16.182 9.168 ( -13.322 1.028 0.000) 13.362 9.188 ( 12.729 -3.519 0.000) 13.206 9.582 ( -5.523 0.558 0.000) 5.552 9.798 ( 11.669 1.486 0.000) 11.764 9.935 ( 18.630 -0.311 0.000) 18.633 10.278 ( 0.208 3.063 0.000) 3.070 10.660 ( 7.236 1.114 0.000) 7.321 10.691 ( 4.617 -0.629 0.000) 4.659 10.751 ( -10.771 -4.752 0.000) 11.772 11.024 ( -1.104 1.754 0.000) 2.072 11.029 ( -16.919 4.253 0.000) 17.445 11.185 ( -10.628 -3.566 0.000) 11.210 11.233 ( 18.645 -1.993 0.000) 18.751 11.756 ( -15.722 1.428 0.000) 15.786 12.225 ( -16.226 -0.309 0.000) 16.229 12.993 ( -1.771 1.175 0.000) 2.125 13.151 ( 0.628 -0.586 0.000) 0.859 15.181 ( -1.177 2.154 0.000) 2.455 15.970 ( -4.959 -0.975 0.000) 5.054 16.091 ( 0.110 -0.096 0.000) 0.146 16.932 ( -5.217 -0.143 0.000) 5.219 ======================= Grid point 54 (40/219) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -1.230 -0.127 0.000) 1.236 2.389 ( 3.697 -0.805 0.000) 3.784 2.694 ( -2.031 3.063 0.000) 3.676 2.716 ( -2.117 0.041 0.000) 2.118 3.186 ( -4.480 3.806 0.000) 5.878 3.295 ( -3.135 -1.326 0.000) 3.404 3.383 ( -0.042 -4.156 0.000) 4.156 3.615 ( 5.813 -2.465 0.000) 6.315 3.825 ( -11.564 5.651 0.000) 12.871 3.967 ( 2.042 -0.074 0.000) 2.043 4.076 ( -3.316 0.498 0.000) 3.353 4.363 ( 5.330 -1.392 0.000) 5.509 4.665 ( -1.048 -8.081 0.000) 8.149 5.044 ( -1.329 -0.103 0.000) 1.333 5.067 ( 3.211 0.898 0.000) 3.334 5.788 ( 4.753 15.561 0.000) 16.271 5.997 ( 2.038 -0.917 0.000) 2.235 6.086 ( 3.034 -10.420 0.000) 10.852 7.088 ( 6.505 0.230 0.000) 6.509 7.479 ( 1.136 0.011 0.000) 1.136 8.566 ( -13.259 2.115 0.000) 13.427 8.934 ( -11.411 -1.230 0.000) 11.477 9.342 ( 0.813 -2.848 0.000) 2.962 9.502 ( -3.765 0.248 0.000) 3.773 9.853 ( -5.288 1.049 0.000) 5.391 10.246 ( 10.266 0.887 0.000) 10.305 10.256 ( -2.435 -0.249 0.000) 2.447 10.561 ( -10.159 0.120 0.000) 10.160 10.650 ( -9.327 0.572 0.000) 9.345 10.684 ( 5.369 -1.546 0.000) 5.588 10.891 ( -1.093 -0.498 0.000) 1.202 10.986 ( -2.289 -0.246 0.000) 2.302 11.133 ( 5.988 -0.311 0.000) 5.996 11.546 ( 4.698 2.592 0.000) 5.365 11.605 ( 3.168 -1.972 0.000) 3.732 11.968 ( -6.134 -0.464 0.000) 6.152 12.948 ( -1.417 2.583 0.000) 2.946 13.144 ( -1.986 -2.087 0.000) 2.881 15.148 ( 0.022 5.441 0.000) 5.441 15.897 ( -4.478 -4.119 0.000) 6.084 16.124 ( 3.604 1.022 0.000) 3.746 16.870 ( -1.758 -1.020 0.000) 2.033 ======================= Grid point 55 (41/219) ======================= q-point: (-0.62 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -1.812 -3.104 0.000) 3.594 2.448 ( 2.227 0.229 0.000) 2.238 2.624 ( -2.527 6.403 0.000) 6.884 2.674 ( -2.358 -0.075 0.000) 2.359 3.086 ( -4.129 2.447 0.000) 4.800 3.233 ( -4.958 -3.454 0.000) 6.043 3.428 ( -1.246 -9.215 0.000) 9.299 3.545 ( -12.120 2.714 0.000) 12.421 3.686 ( 0.889 -0.115 0.000) 0.896 4.022 ( 3.270 3.873 0.000) 5.068 4.086 ( 4.011 -0.186 0.000) 4.016 4.489 ( 6.726 -0.617 0.000) 6.755 4.647 ( -5.653 -8.933 0.000) 10.571 5.002 ( -3.354 -0.417 0.000) 3.380 5.067 ( -2.051 1.614 0.000) 2.610 5.717 ( -2.604 15.221 0.000) 15.442 5.947 ( -7.806 -0.025 0.000) 7.806 6.099 ( -6.762 -6.670 0.000) 9.498 7.228 ( 8.561 2.485 0.000) 8.914 7.519 ( 3.081 0.386 0.000) 3.105 8.375 ( -7.380 -2.861 0.000) 7.916 8.769 ( -8.127 -5.320 0.000) 9.713 9.237 ( -14.427 -7.140 0.000) 16.097 9.431 ( -1.812 3.244 0.000) 3.715 9.719 ( -7.029 0.119 0.000) 7.030 10.076 ( -17.370 1.933 0.000) 17.477 10.191 ( -3.782 0.615 0.000) 3.832 10.409 ( -14.842 -2.042 0.000) 14.982 10.658 ( 6.442 -2.454 0.000) 6.893 10.660 ( -11.253 -2.626 0.000) 11.556 10.896 ( 6.566 3.050 0.000) 7.239 11.187 ( 21.871 0.249 0.000) 21.873 11.314 ( 10.568 -1.409 0.000) 10.662 11.442 ( -15.041 0.166 0.000) 15.042 11.608 ( 6.748 1.363 0.000) 6.884 12.208 ( 22.606 -1.721 0.000) 22.671 12.928 ( 0.724 1.570 0.000) 1.729 13.102 ( -3.937 -2.332 0.000) 4.576 15.131 ( 2.028 5.941 0.000) 6.277 15.840 ( -5.233 -6.245 0.000) 8.148 16.208 ( 6.420 2.441 0.000) 6.868 16.875 ( 1.307 -1.822 0.000) 2.243 ======================= Grid point 56 (42/219) ======================= q-point: (-0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -1.729 -7.038 0.000) 7.247 2.447 ( -1.446 4.816 0.000) 5.028 2.533 ( -2.996 6.837 0.000) 7.464 2.638 ( -1.951 -2.164 0.000) 2.913 3.008 ( -3.554 -0.189 0.000) 3.559 3.162 ( -4.824 -5.351 0.000) 7.205 3.242 ( -12.782 2.960 0.000) 13.120 3.540 ( -0.305 -13.501 0.000) 13.504 3.656 ( -3.753 1.254 0.000) 3.957 4.021 ( -1.015 5.414 0.000) 5.509 4.190 ( 6.048 0.237 0.000) 6.052 4.535 ( -6.043 -3.867 0.000) 7.175 4.636 ( 3.649 -3.315 0.000) 4.930 4.905 ( -7.866 0.385 0.000) 7.875 4.998 ( -3.577 1.137 0.000) 3.754 5.542 ( -6.675 13.239 0.000) 14.827 5.709 ( -16.990 1.906 0.000) 17.097 5.917 ( -15.237 -2.514 0.000) 15.443 7.352 ( 6.372 4.492 0.000) 7.796 7.584 ( 4.111 0.941 0.000) 4.217 8.312 ( -3.871 -9.352 0.000) 10.122 8.694 ( -4.711 -9.708 0.000) 10.791 8.973 ( -16.671 -7.361 0.000) 18.224 9.393 ( -0.631 3.320 0.000) 3.379 9.579 ( -8.195 0.649 0.000) 8.221 9.756 ( -15.731 -0.355 0.000) 15.735 10.115 ( -4.167 1.052 0.000) 4.297 10.150 ( -14.122 -3.149 0.000) 14.468 10.423 ( -15.567 -5.648 0.000) 16.559 10.641 ( -4.373 1.305 0.000) 4.563 11.146 ( -12.567 -1.968 0.000) 12.720 11.149 ( 17.824 1.822 0.000) 17.917 11.506 ( 8.144 -3.182 0.000) 8.744 11.570 ( 15.234 4.862 0.000) 15.991 11.902 ( 25.928 -1.334 0.000) 25.963 12.675 ( 26.310 -0.167 0.000) 26.310 12.955 ( 1.947 -1.017 0.000) 2.197 13.020 ( -5.744 -0.914 0.000) 5.816 15.167 ( 4.529 2.966 0.000) 5.414 15.765 ( -6.762 -7.166 0.000) 9.853 16.331 ( 8.377 3.499 0.000) 9.078 16.931 ( 3.251 -2.444 0.000) 4.067 ======================= Grid point 57 (43/219) ======================= q-point: (-0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -3.227 -8.649 0.000) 9.232 2.339 ( -5.685 8.995 0.000) 10.641 2.438 ( -3.860 4.943 0.000) 6.272 2.605 ( -3.619 -1.507 0.000) 3.921 2.961 ( -2.342 -3.620 0.000) 4.311 3.014 ( -9.647 1.552 0.000) 9.771 3.129 ( -2.266 -6.861 0.000) 7.225 3.520 ( -11.129 -0.455 0.000) 11.138 3.565 ( -6.658 -14.234 0.000) 15.714 3.910 ( -8.133 3.957 0.000) 9.045 4.267 ( 2.429 3.642 0.000) 4.378 4.401 ( -9.483 0.733 0.000) 9.512 4.672 ( -14.057 0.300 0.000) 14.060 4.726 ( 1.644 1.714 0.000) 2.375 4.963 ( 0.844 -1.274 0.000) 1.528 5.312 ( -23.163 3.862 0.000) 23.483 5.363 ( -5.800 7.359 0.000) 9.370 5.595 ( -17.967 0.348 0.000) 17.970 7.408 ( 2.716 5.033 0.000) 5.719 7.651 ( 3.686 1.707 0.000) 4.062 8.288 ( -7.438 -13.526 0.000) 15.436 8.682 ( -4.360 -12.063 0.000) 12.826 8.732 ( -12.218 -3.409 0.000) 12.685 9.365 ( -4.946 3.693 0.000) 6.173 9.410 ( -5.552 -3.185 0.000) 6.401 9.516 ( -10.840 -3.582 0.000) 11.416 9.930 ( -11.261 -3.360 0.000) 11.751 9.973 ( -12.967 -0.906 0.000) 12.999 10.195 ( -10.736 -6.930 0.000) 12.779 10.562 ( -1.962 3.125 0.000) 3.690 11.040 ( -0.269 -5.549 0.000) 5.555 11.474 ( 17.484 0.284 0.000) 17.486 11.630 ( 2.479 -3.170 0.000) 4.024 11.794 ( 14.389 8.870 0.000) 16.903 12.466 ( 31.675 -1.031 0.000) 31.692 12.885 ( -7.514 0.828 0.000) 7.559 13.009 ( 1.330 -2.038 0.000) 2.433 13.173 ( 27.662 2.505 0.000) 27.776 15.255 ( 5.104 -0.276 0.000) 5.112 15.687 ( -5.792 -9.359 0.000) 11.006 16.472 ( 9.060 4.404 0.000) 10.073 17.023 ( 4.876 -3.559 0.000) 6.037 ======================= Grid point 58 (44/219) ======================= q-point: (-0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -8.941 12.194 0.000) 15.121 2.252 ( -7.422 -8.334 0.000) 11.160 2.308 ( -7.032 8.325 0.000) 10.897 2.511 ( -6.093 1.518 0.000) 6.279 2.893 ( -4.778 -5.842 0.000) 7.547 2.964 ( -0.738 -6.682 0.000) 6.723 3.139 ( -3.674 -5.649 0.000) 6.739 3.250 ( -16.782 -5.541 0.000) 17.673 3.431 ( -15.538 -13.668 0.000) 20.695 3.679 ( -15.054 1.762 0.000) 15.156 4.109 ( -19.522 11.348 0.000) 22.581 4.205 ( -7.596 6.001 0.000) 9.681 4.316 ( -20.435 4.074 0.000) 20.837 4.781 ( 2.606 -2.781 0.000) 3.811 4.860 ( -19.400 7.019 0.000) 20.631 5.051 ( 5.882 -5.105 0.000) 7.788 5.125 ( -14.639 7.966 0.000) 16.666 5.440 ( 0.833 -4.844 0.000) 4.915 7.411 ( 0.777 3.784 0.000) 3.863 7.694 ( 1.875 2.130 0.000) 2.837 8.143 ( -16.216 -12.879 0.000) 20.709 8.545 ( -9.052 2.533 0.000) 9.400 8.617 ( -10.627 -10.918 0.000) 15.237 9.087 ( -18.652 3.134 0.000) 18.913 9.394 ( -5.531 -4.463 0.000) 7.107 9.489 ( 3.844 -8.423 0.000) 9.258 9.709 ( -12.619 -6.438 0.000) 14.166 9.779 ( -6.840 -3.508 0.000) 7.687 10.085 ( -7.501 -10.106 0.000) 12.586 10.551 ( 2.505 1.571 0.000) 2.957 11.186 ( 12.145 -3.637 0.000) 12.677 11.609 ( -5.879 -0.043 0.000) 5.880 11.795 ( 16.494 -1.818 0.000) 16.594 12.014 ( 14.965 10.659 0.000) 18.373 12.746 ( -5.807 2.243 0.000) 6.225 13.014 ( -2.256 -1.058 0.000) 2.492 13.052 ( 30.811 1.324 0.000) 30.840 13.653 ( 25.128 4.594 0.000) 25.544 15.338 ( 3.487 -1.806 0.000) 3.927 15.687 ( -0.776 -12.481 0.000) 12.505 16.613 ( 8.869 4.961 0.000) 10.162 17.153 ( 6.467 -4.899 0.000) 8.113 ======================= Grid point 59 (45/219) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -10.753 16.231 0.000) 19.470 2.052 ( -13.118 10.042 0.000) 16.521 2.161 ( -7.530 -5.722 0.000) 9.458 2.375 ( -7.047 3.449 0.000) 7.846 2.794 ( -26.040 -3.382 0.000) 26.259 2.807 ( -12.556 -6.573 0.000) 14.173 2.991 ( -1.392 -7.270 0.000) 7.402 3.220 ( -14.540 -14.236 0.000) 20.349 3.223 ( -0.576 -9.912 0.000) 9.929 3.336 ( -20.149 0.015 0.000) 20.149 3.604 ( -23.722 12.502 0.000) 26.814 3.858 ( -25.614 5.037 0.000) 26.105 3.882 ( -22.321 2.270 0.000) 22.436 4.597 ( -4.035 10.295 0.000) 11.058 4.746 ( -8.361 4.916 0.000) 9.699 4.967 ( 4.327 3.636 0.000) 5.652 5.214 ( 7.387 -6.413 0.000) 9.782 5.553 ( 5.244 -10.066 0.000) 11.350 7.405 ( 0.460 2.025 0.000) 2.076 7.684 ( -2.390 2.431 0.000) 3.409 7.846 ( -22.530 -10.233 0.000) 24.745 8.347 ( -10.338 3.341 0.000) 10.864 8.405 ( -18.128 -10.554 0.000) 20.976 8.656 ( -24.969 3.454 0.000) 25.207 9.310 ( -4.779 2.893 0.000) 5.586 9.440 ( -8.637 -9.818 0.000) 13.076 9.709 ( -3.347 -3.233 0.000) 4.654 9.789 ( 7.656 -11.593 0.000) 13.893 10.047 ( -2.187 -15.468 0.000) 15.621 10.635 ( 5.683 -2.997 0.000) 6.425 11.443 ( -9.228 3.306 0.000) 9.802 11.495 ( 19.522 1.103 0.000) 19.553 12.101 ( 14.713 -2.806 0.000) 14.978 12.217 ( 12.853 10.352 0.000) 16.504 12.649 ( -3.812 2.335 0.000) 4.470 12.935 ( -5.630 1.524 0.000) 5.832 13.579 ( 27.078 4.185 0.000) 27.399 14.012 ( 15.098 4.126 0.000) 15.652 15.445 ( 6.862 -3.322 0.000) 7.624 15.766 ( 1.255 -11.582 0.000) 11.649 16.747 ( 8.504 4.668 0.000) 9.701 17.312 ( 7.121 -5.633 0.000) 9.079 ======================= Grid point 60 (46/219) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -9.724 20.979 0.000) 23.123 1.706 ( -16.420 15.460 0.000) 22.552 2.050 ( -9.876 -9.329 0.000) 13.586 2.146 ( -20.321 1.706 0.000) 20.393 2.380 ( -14.015 0.249 0.000) 14.017 2.497 ( -18.291 0.715 0.000) 18.305 2.851 ( -23.882 8.151 0.000) 25.234 2.926 ( -11.251 -1.053 0.000) 11.300 2.935 ( -23.218 3.068 0.000) 23.420 3.238 ( -21.803 3.912 0.000) 22.151 3.242 ( -3.721 -12.796 0.000) 13.326 3.501 ( -6.053 -19.760 0.000) 20.666 3.539 ( -10.587 -5.247 0.000) 11.816 4.520 ( 1.030 11.449 0.000) 11.496 4.561 ( -4.822 13.859 0.000) 14.674 5.070 ( 6.074 1.327 0.000) 6.217 5.380 ( 6.118 -7.103 0.000) 9.375 5.720 ( 5.195 -13.291 0.000) 14.270 7.363 ( -15.817 -3.161 0.000) 16.129 7.456 ( -13.420 -3.364 0.000) 13.836 7.500 ( -18.401 3.879 0.000) 18.805 8.127 ( -14.351 -8.366 0.000) 16.612 8.140 ( -12.596 0.698 0.000) 12.616 8.173 ( -21.016 2.150 0.000) 21.125 9.191 ( -2.467 13.216 0.000) 13.444 9.390 ( -4.629 -14.776 0.000) 15.484 9.676 ( -1.966 -2.799 0.000) 3.421 9.924 ( 0.252 -16.860 0.000) 16.862 10.263 ( 15.479 -11.061 0.000) 19.025 10.769 ( 4.882 -6.888 0.000) 8.443 11.288 ( -4.610 3.158 0.000) 5.588 11.877 ( 22.434 3.949 0.000) 22.779 12.352 ( 10.154 -1.689 0.000) 10.294 12.361 ( 8.343 9.314 0.000) 12.504 12.552 ( -5.545 2.168 0.000) 5.954 12.824 ( -3.613 3.430 0.000) 4.982 13.988 ( 18.852 5.765 0.000) 19.714 14.161 ( 3.849 2.067 0.000) 4.368 15.543 ( -3.218 -6.570 0.000) 7.316 15.909 ( 11.307 -4.190 0.000) 12.059 16.872 ( 7.305 3.936 0.000) 8.298 17.472 ( 6.344 -5.962 0.000) 8.706 ======================= Grid point 61 (47/219) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -22.515 15.483 0.000) 27.325 1.296 ( -5.527 26.101 0.000) 26.680 1.690 ( -22.775 0.514 0.000) 22.781 1.842 ( -8.917 18.661 0.000) 20.682 2.241 ( -2.390 4.545 0.000) 5.135 2.291 ( -4.100 -6.508 0.000) 7.692 2.391 ( -18.624 5.126 0.000) 19.316 2.561 ( -15.324 -1.336 0.000) 15.382 2.631 ( -15.345 1.814 0.000) 15.452 2.808 ( -18.000 3.056 0.000) 18.257 3.287 ( -0.803 -17.217 0.000) 17.236 3.502 ( -0.691 -7.183 0.000) 7.216 3.635 ( 1.484 -27.206 0.000) 27.247 4.410 ( -1.955 17.718 0.000) 17.825 4.481 ( 1.337 11.311 0.000) 11.390 5.151 ( 3.827 3.541 0.000) 5.213 5.512 ( 3.535 -7.246 0.000) 8.062 5.886 ( 4.067 -14.532 0.000) 15.091 6.829 ( -32.553 -0.116 0.000) 32.553 6.997 ( -26.445 8.430 0.000) 27.756 7.416 ( -0.441 -0.233 0.000) 0.499 7.785 ( -14.669 -0.038 0.000) 14.669 7.995 ( -3.890 0.915 0.000) 3.996 8.011 ( -5.021 -0.119 0.000) 5.023 9.087 ( 0.099 15.383 0.000) 15.383 9.415 ( -2.750 -17.939 0.000) 18.148 9.674 ( -0.109 -2.923 0.000) 2.925 10.056 ( 1.154 -24.914 0.000) 24.941 10.675 ( 22.363 -5.646 0.000) 23.065 10.876 ( 1.709 -9.050 0.000) 9.210 11.234 ( -0.755 0.242 0.000) 0.793 12.241 ( 17.336 3.784 0.000) 17.744 12.414 ( 2.742 8.545 0.000) 8.974 12.426 ( -3.807 2.845 0.000) 4.753 12.488 ( 2.495 0.639 0.000) 2.576 12.780 ( 0.554 3.423 0.000) 3.467 14.098 ( -2.901 1.528 0.000) 3.279 14.266 ( 8.921 5.870 0.000) 10.679 15.396 ( -13.582 -4.524 0.000) 14.316 16.178 ( 13.356 -0.112 0.000) 13.356 16.963 ( 4.371 3.448 0.000) 5.567 17.605 ( 3.930 -6.294 0.000) 7.420 ======================= Grid point 62 (48/219) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 21.329 0.000) 21.329 1.084 ( 0.000 29.968 0.000) 29.968 1.442 ( 0.000 1.089 0.000) 1.089 1.578 ( 0.000 41.378 0.000) 41.378 2.189 ( -0.000 -0.327 0.000) 0.327 2.201 ( 0.000 4.891 0.000) 4.891 2.349 ( -0.000 -19.311 0.000) 19.311 2.419 ( -0.000 -1.975 0.000) 1.975 2.459 ( 0.000 1.387 0.000) 1.387 2.611 ( 0.000 2.301 0.000) 2.301 3.384 ( -0.000 -18.228 0.000) 18.228 3.539 ( -0.000 -6.631 0.000) 6.631 3.810 ( -0.000 -27.431 0.000) 27.431 4.286 ( 0.000 19.512 0.000) 19.512 4.432 ( 0.000 11.096 0.000) 11.096 5.163 ( 0.000 5.691 0.000) 5.691 5.587 ( -0.000 -6.894 0.000) 6.894 6.023 ( -0.000 -14.603 0.000) 14.603 6.384 ( 0.000 12.527 0.000) 12.527 6.645 ( 0.000 12.512 0.000) 12.512 7.415 ( -0.000 -0.676 0.000) 0.676 7.648 ( -0.000 -0.688 0.000) 0.688 7.929 ( 0.000 10.219 0.000) 10.219 7.964 ( 0.000 0.266 0.000) 0.266 9.018 ( 0.000 9.848 0.000) 9.848 9.493 ( -0.000 -18.327 0.000) 18.327 9.692 ( -0.000 -2.893 0.000) 2.893 10.222 ( -0.000 -27.356 0.000) 27.356 10.945 ( -0.000 -9.895 0.000) 9.895 11.000 ( -0.000 -9.768 0.000) 9.768 11.236 ( -0.000 -2.249 0.000) 2.249 12.369 ( 0.000 2.878 0.000) 2.878 12.379 ( 0.000 8.764 0.000) 8.764 12.404 ( 0.000 2.924 0.000) 2.924 12.498 ( 0.000 2.257 0.000) 2.257 12.772 ( 0.000 3.697 0.000) 3.697 14.035 ( 0.000 2.546 0.000) 2.546 14.317 ( 0.000 5.719 0.000) 5.719 15.230 ( 0.000 1.091 0.000) 1.091 16.321 ( -0.000 -0.372 0.000) 0.372 16.986 ( 0.000 3.304 0.000) 3.304 17.679 ( -0.000 -6.316 0.000) 6.316 ======================= Grid point 69 (49/219) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -1.847 -0.000 0.000) 1.847 2.384 ( 3.815 0.000 0.000) 3.815 2.712 ( -0.994 -0.000 0.000) 0.994 2.716 ( -2.085 -0.000 0.000) 2.085 3.213 ( -4.788 -0.000 0.000) 4.788 3.283 ( -3.876 -0.000 0.000) 3.876 3.359 ( -1.702 -0.000 0.000) 1.702 3.601 ( 6.576 0.000 0.000) 6.576 3.866 ( -15.333 -0.000 0.000) 15.333 3.957 ( 6.010 0.000 0.000) 6.010 4.079 ( -3.438 -0.000 0.000) 3.438 4.355 ( 5.108 0.000 0.000) 5.108 4.618 ( -0.053 -0.000 0.000) 0.053 5.043 ( -1.453 -0.000 0.000) 1.453 5.072 ( 3.437 0.000 0.000) 3.437 5.944 ( 5.598 0.000 0.000) 5.598 5.958 ( 2.413 0.000 0.000) 2.413 5.992 ( 2.210 0.000 0.000) 2.210 7.089 ( 7.043 0.000 0.000) 7.043 7.479 ( 1.228 0.000 0.000) 1.228 8.579 ( -14.588 -0.000 0.000) 14.588 8.927 ( -12.303 -0.000 0.000) 12.303 9.323 ( 0.325 0.000 0.000) 0.325 9.506 ( -3.018 -0.000 0.000) 3.018 9.858 ( -6.221 -0.000 0.000) 6.221 10.251 ( 11.221 0.000 0.000) 11.221 10.254 ( -2.708 -0.000 0.000) 2.708 10.562 ( -11.013 -0.000 0.000) 11.013 10.653 ( -10.459 -0.000 0.000) 10.459 10.675 ( 6.266 0.000 0.000) 6.266 10.888 ( -0.906 -0.000 0.000) 0.906 10.984 ( -2.541 -0.000 0.000) 2.541 11.131 ( 6.431 0.000 0.000) 6.431 11.568 ( 11.649 0.000 0.000) 11.649 11.586 ( -3.143 -0.000 0.000) 3.143 11.965 ( -6.743 -0.000 0.000) 6.743 12.965 ( -1.512 -0.000 0.000) 1.512 13.130 ( -2.174 -0.000 0.000) 2.174 15.182 ( 0.267 0.000 0.000) 0.267 15.872 ( -5.069 -0.000 0.000) 5.069 16.130 ( 3.940 0.000 0.000) 3.940 16.864 ( -1.943 -0.000 0.000) 1.943 ======================= Grid point 70 (50/219) ======================= q-point: (-0.69 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -3.166 -1.188 0.000) 3.382 2.448 ( 2.972 -0.110 0.000) 2.974 2.675 ( -2.389 0.126 0.000) 2.392 2.683 ( -1.527 3.220 0.000) 3.564 3.118 ( -4.502 2.707 0.000) 5.254 3.193 ( -6.282 -3.002 0.000) 6.962 3.345 ( -1.058 -4.305 0.000) 4.433 3.574 ( -14.569 1.591 0.000) 14.656 3.684 ( 1.932 -0.132 0.000) 1.937 4.050 ( 3.838 1.169 0.000) 4.012 4.085 ( 3.828 0.023 0.000) 3.828 4.480 ( 7.166 -0.630 0.000) 7.194 4.580 ( -4.576 -2.873 0.000) 5.403 4.999 ( -3.254 -0.140 0.000) 3.257 5.079 ( -2.183 0.587 0.000) 2.260 5.875 ( -4.050 12.377 0.000) 13.023 5.946 ( -7.175 -0.062 0.000) 7.175 6.007 ( -5.088 -9.485 0.000) 10.764 7.247 ( 9.257 0.890 0.000) 9.300 7.521 ( 3.211 0.133 0.000) 3.214 8.354 ( -9.554 -0.874 0.000) 9.594 8.728 ( -9.370 -1.915 0.000) 9.563 9.181 ( -14.531 -2.639 0.000) 14.769 9.460 ( -1.635 1.447 0.000) 2.184 9.717 ( -6.985 -0.254 0.000) 6.990 10.091 ( -18.367 0.675 0.000) 18.380 10.195 ( -3.432 0.220 0.000) 3.439 10.394 ( -15.297 -0.620 0.000) 15.309 10.639 ( 7.154 -0.901 0.000) 7.210 10.639 ( -12.268 -0.937 0.000) 12.304 10.921 ( 7.392 1.228 0.000) 7.494 11.188 ( 23.407 0.048 0.000) 23.407 11.301 ( 9.650 -0.682 0.000) 9.674 11.442 ( -16.719 -0.069 0.000) 16.719 11.621 ( 6.861 0.713 0.000) 6.898 12.192 ( 22.957 -0.782 0.000) 22.970 12.943 ( -0.349 0.881 0.000) 0.947 13.081 ( -3.412 -1.122 0.000) 3.591 15.186 ( 1.150 2.903 0.000) 3.123 15.784 ( -5.391 -2.913 0.000) 6.128 16.228 ( 6.710 0.961 0.000) 6.778 16.860 ( 1.203 -0.745 0.000) 1.415 ======================= Grid point 71 (51/219) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -3.316 -4.376 0.000) 5.490 2.487 ( 1.230 2.116 0.000) 2.447 2.613 ( -3.142 6.115 0.000) 6.875 2.624 ( -2.849 -0.324 0.000) 2.867 3.017 ( -4.843 1.860 0.000) 5.188 3.102 ( -5.535 -5.103 0.000) 7.528 3.276 ( -10.541 3.059 0.000) 10.976 3.405 ( -2.770 -9.828 0.000) 10.211 3.665 ( -4.128 0.401 0.000) 4.148 4.063 ( -2.373 1.957 0.000) 3.075 4.195 ( 7.233 0.520 0.000) 7.252 4.497 ( -5.002 -2.108 0.000) 5.428 4.611 ( 5.659 -1.588 0.000) 5.878 4.910 ( -6.951 0.367 0.000) 6.961 5.006 ( -4.620 0.380 0.000) 4.636 5.680 ( -9.147 11.023 0.000) 14.324 5.726 ( -16.054 1.058 0.000) 16.089 5.872 ( -13.607 -5.405 0.000) 14.641 7.391 ( 6.659 2.456 0.000) 7.098 7.592 ( 4.398 0.526 0.000) 4.430 8.230 ( -5.963 -4.931 0.000) 7.738 8.608 ( -5.689 -5.311 0.000) 7.783 8.906 ( -15.349 -4.212 0.000) 15.917 9.425 ( -1.265 2.172 0.000) 2.513 9.584 ( -7.897 0.253 0.000) 7.901 9.749 ( -17.420 -0.599 0.000) 17.431 10.125 ( -4.198 0.683 0.000) 4.254 10.126 ( -13.744 -1.238 0.000) 13.800 10.372 ( -16.235 -3.178 0.000) 16.543 10.651 ( -2.980 0.466 0.000) 3.016 11.128 ( -14.741 -1.173 0.000) 14.787 11.174 ( 17.526 2.127 0.000) 17.654 11.471 ( 7.297 -2.676 0.000) 7.772 11.612 ( 17.920 2.411 0.000) 18.081 11.893 ( 24.911 -0.352 0.000) 24.914 12.670 ( 27.212 -0.536 0.000) 27.217 12.946 ( 0.652 -0.572 0.000) 0.867 13.012 ( -4.486 -0.464 0.000) 4.510 15.202 ( 2.640 2.821 0.000) 3.864 15.694 ( -6.803 -4.932 0.000) 8.402 16.363 ( 8.503 2.039 0.000) 8.744 16.908 ( 3.079 -1.488 0.000) 3.420 ======================= Grid point 72 (52/219) ======================= q-point: (-0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -3.543 -7.695 0.000) 8.471 2.437 ( -3.692 8.065 0.000) 8.870 2.504 ( -4.726 5.588 0.000) 7.319 2.588 ( -2.041 -1.607 0.000) 2.598 2.927 ( -4.568 -2.223 0.000) 5.080 3.054 ( -2.859 -6.079 0.000) 6.718 3.057 ( -9.302 5.850 0.000) 10.988 3.408 ( -6.053 -13.227 0.000) 14.546 3.514 ( -12.438 -0.503 0.000) 12.448 3.929 ( -10.956 -0.176 0.000) 10.957 4.308 ( 4.825 3.392 0.000) 5.898 4.422 ( -3.782 2.593 0.000) 4.586 4.665 ( -7.670 -1.178 0.000) 7.760 4.744 ( -4.319 1.356 0.000) 4.526 4.941 ( -1.836 -2.201 0.000) 2.866 5.353 ( -21.938 3.128 0.000) 22.160 5.444 ( -9.750 6.761 0.000) 11.865 5.590 ( -17.239 -1.278 0.000) 17.286 7.457 ( 2.216 3.506 0.000) 4.147 7.669 ( 4.146 1.412 0.000) 4.380 8.157 ( -7.437 -9.226 0.000) 11.850 8.564 ( -4.012 -8.425 0.000) 9.332 8.693 ( -9.430 -3.156 0.000) 9.944 9.382 ( -3.629 -1.107 0.000) 3.794 9.406 ( -9.737 2.565 0.000) 10.069 9.475 ( -12.685 -3.341 0.000) 13.117 9.905 ( -10.631 -1.292 0.000) 10.709 9.973 ( -13.902 1.056 0.000) 13.942 10.121 ( -11.774 -6.075 0.000) 13.249 10.592 ( -1.857 2.102 0.000) 2.805 10.985 ( -0.431 -3.936 0.000) 3.960 11.485 ( 16.278 1.590 0.000) 16.355 11.592 ( 3.721 -3.444 0.000) 5.070 11.878 ( 15.146 5.884 0.000) 16.249 12.459 ( 32.783 -0.393 0.000) 32.786 12.899 ( -5.810 1.640 0.000) 6.037 12.983 ( 0.577 -2.513 0.000) 2.578 13.194 ( 28.794 1.140 0.000) 28.816 15.255 ( 3.806 0.304 0.000) 3.818 15.594 ( -6.885 -6.822 0.000) 9.693 16.515 ( 9.203 3.012 0.000) 9.683 16.988 ( 4.355 -2.512 0.000) 5.028 ======================= Grid point 73 (53/219) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -6.431 -7.287 0.000) 9.719 2.278 ( -6.895 11.782 0.000) 13.652 2.381 ( -5.817 3.959 0.000) 7.036 2.533 ( -3.967 2.099 0.000) 4.488 2.879 ( -6.630 3.328 0.000) 7.418 2.884 ( -2.931 -6.875 0.000) 7.474 3.063 ( -0.552 -7.417 0.000) 7.438 3.206 ( -21.102 -2.478 0.000) 21.247 3.284 ( -15.139 -12.123 0.000) 19.395 3.679 ( -16.352 -1.414 0.000) 16.413 4.237 ( -15.915 10.789 0.000) 19.227 4.273 ( -8.136 5.812 0.000) 9.999 4.357 ( -17.962 3.191 0.000) 18.243 4.737 ( -1.400 -4.816 0.000) 5.015 4.908 ( -14.425 0.735 0.000) 14.444 5.014 ( 1.066 -0.677 0.000) 1.263 5.206 ( -12.314 6.258 0.000) 13.813 5.392 ( -2.793 -3.658 0.000) 4.602 7.450 ( -0.341 3.044 0.000) 3.063 7.719 ( 2.031 2.182 0.000) 2.981 8.016 ( -13.923 -9.446 0.000) 16.825 8.504 ( -9.185 -8.753 0.000) 12.687 8.565 ( -6.822 1.028 0.000) 6.899 9.122 ( -17.884 2.917 0.000) 18.120 9.336 ( -4.951 -5.497 0.000) 7.398 9.397 ( 1.253 -7.575 0.000) 7.678 9.665 ( -15.429 -1.255 0.000) 15.480 9.752 ( -6.425 -1.404 0.000) 6.576 9.969 ( -10.310 -10.154 0.000) 14.471 10.571 ( 1.014 1.813 0.000) 2.077 11.152 ( 14.892 -2.429 0.000) 15.089 11.593 ( -3.570 -2.203 0.000) 4.195 11.793 ( 15.717 1.036 0.000) 15.751 12.119 ( 14.661 7.819 0.000) 16.615 12.777 ( -5.268 3.086 0.000) 6.105 12.993 ( -1.596 -2.465 0.000) 2.937 13.069 ( 32.482 1.536 0.000) 32.518 13.697 ( 25.525 3.244 0.000) 25.730 15.320 ( 2.757 -1.264 0.000) 3.033 15.557 ( -1.473 -10.289 0.000) 10.394 16.664 ( 8.833 3.964 0.000) 9.682 17.102 ( 5.943 -4.026 0.000) 7.179 ======================= Grid point 74 (54/219) ======================= q-point: (-0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -9.861 -5.059 0.000) 11.084 2.057 ( -8.287 15.708 0.000) 17.760 2.211 ( -10.020 6.927 0.000) 12.181 2.426 ( -5.306 5.278 0.000) 7.484 2.743 ( -25.520 -4.947 0.000) 25.995 2.762 ( -7.988 -1.167 0.000) 8.072 2.909 ( -3.122 -7.622 0.000) 8.237 3.042 ( -15.500 -15.341 0.000) 21.808 3.114 ( -0.184 -9.166 0.000) 9.167 3.332 ( -21.332 -0.740 0.000) 21.345 3.756 ( -24.982 12.597 0.000) 27.979 3.909 ( -25.478 2.543 0.000) 25.605 3.933 ( -25.103 8.690 0.000) 26.565 4.705 ( -2.768 8.752 0.000) 9.179 4.745 ( -2.062 -5.371 0.000) 5.753 5.025 ( -1.662 6.607 0.000) 6.813 5.141 ( 6.628 -6.374 0.000) 9.195 5.448 ( 3.450 -8.346 0.000) 9.032 7.427 ( -0.544 1.728 0.000) 1.812 7.712 ( -1.811 2.396 0.000) 3.003 7.749 ( -19.606 -6.945 0.000) 20.800 8.296 ( -17.968 -8.380 0.000) 19.826 8.383 ( -11.319 2.885 0.000) 11.681 8.696 ( -25.270 3.647 0.000) 25.531 9.320 ( 0.065 -1.004 0.000) 1.006 9.348 ( -10.011 -6.023 0.000) 11.683 9.650 ( 6.380 -12.629 0.000) 14.149 9.680 ( -2.766 -1.898 0.000) 3.354 9.880 ( -3.557 -13.717 0.000) 14.171 10.611 ( 3.287 -1.367 0.000) 3.560 11.479 ( -7.130 3.074 0.000) 7.765 11.509 ( 21.972 1.321 0.000) 22.012 12.077 ( 14.387 -1.533 0.000) 14.469 12.323 ( 11.854 8.257 0.000) 14.446 12.677 ( -4.011 2.652 0.000) 4.808 12.942 ( -4.436 -0.100 0.000) 4.437 13.626 ( 28.490 3.984 0.000) 28.767 14.055 ( 13.842 3.351 0.000) 14.242 15.406 ( 5.202 -3.504 0.000) 6.272 15.643 ( 4.311 -9.917 0.000) 10.814 16.798 ( 8.104 4.231 0.000) 9.143 17.250 ( 6.918 -5.147 0.000) 8.623 ======================= Grid point 75 (55/219) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -7.396 19.791 0.000) 21.128 1.829 ( -15.929 5.087 0.000) 16.722 1.966 ( -11.026 -2.912 0.000) 11.404 2.168 ( -24.191 1.841 0.000) 24.261 2.385 ( -8.081 1.152 0.000) 8.163 2.519 ( -14.662 2.820 0.000) 14.931 2.882 ( -18.026 -2.684 0.000) 18.225 2.895 ( -5.931 -5.230 0.000) 7.908 2.958 ( -16.676 -4.925 0.000) 17.388 3.115 ( -6.762 -9.248 0.000) 11.456 3.296 ( -13.580 6.408 0.000) 15.016 3.380 ( -27.142 3.456 0.000) 27.361 3.478 ( -15.676 -5.389 0.000) 16.576 4.644 ( 1.058 10.490 0.000) 10.543 4.689 ( -2.493 7.604 0.000) 8.002 5.059 ( 4.444 -2.530 0.000) 5.113 5.299 ( 5.744 -7.318 0.000) 9.303 5.579 ( 4.170 -11.256 0.000) 12.003 7.336 ( -20.497 -1.118 0.000) 20.527 7.439 ( -4.742 -0.699 0.000) 4.793 7.555 ( -15.905 5.658 0.000) 16.882 8.015 ( -13.684 -10.738 0.000) 17.394 8.147 ( -13.645 0.596 0.000) 13.658 8.198 ( -22.822 2.116 0.000) 22.920 9.239 ( -6.869 -11.496 0.000) 13.392 9.324 ( 2.636 9.711 0.000) 10.062 9.649 ( -1.839 -1.897 0.000) 2.642 9.724 ( -4.370 -17.590 0.000) 18.125 10.140 ( 19.670 -10.682 0.000) 22.383 10.696 ( 3.078 -5.864 0.000) 6.623 11.342 ( -3.992 6.276 0.000) 7.438 11.920 ( 22.918 3.558 0.000) 23.193 12.329 ( 10.916 -2.426 0.000) 11.182 12.458 ( 7.310 7.686 0.000) 10.608 12.577 ( -5.691 2.109 0.000) 6.070 12.855 ( -3.430 2.103 0.000) 4.023 14.052 ( 18.481 5.515 0.000) 19.286 14.183 ( 3.748 1.842 0.000) 4.176 15.464 ( -4.202 -7.119 0.000) 8.267 15.867 ( 15.556 -3.249 0.000) 15.892 16.916 ( 6.829 3.724 0.000) 7.778 17.406 ( 6.228 -5.639 0.000) 8.401 ======================= Grid point 76 (56/219) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -20.955 11.778 0.000) 24.039 1.572 ( -5.058 21.042 0.000) 21.641 1.706 ( -20.240 3.860 0.000) 20.605 1.869 ( -3.736 -7.635 0.000) 8.500 2.280 ( -8.873 1.158 0.000) 8.949 2.293 ( -1.547 4.711 0.000) 4.959 2.542 ( -14.359 1.481 0.000) 14.435 2.592 ( -13.735 22.201 0.000) 26.106 2.654 ( -15.597 2.209 0.000) 15.752 2.856 ( -19.683 6.942 0.000) 20.871 3.095 ( -2.088 -16.532 0.000) 16.663 3.326 ( -0.210 -26.343 0.000) 26.344 3.409 ( -1.239 -9.412 0.000) 9.493 4.592 ( -1.148 13.962 0.000) 14.009 4.606 ( 1.079 10.825 0.000) 10.879 5.156 ( 3.377 -2.908 0.000) 4.456 5.427 ( 3.353 -7.707 0.000) 8.405 5.722 ( 3.355 -13.984 0.000) 14.381 6.867 ( -23.856 6.049 0.000) 24.611 7.104 ( -22.236 10.277 0.000) 24.496 7.413 ( -0.895 -0.408 0.000) 0.983 7.785 ( -15.512 0.010 0.000) 15.512 7.940 ( -2.901 -9.329 0.000) 9.769 8.005 ( -5.631 -1.200 0.000) 5.757 9.217 ( -3.969 -16.543 0.000) 17.013 9.289 ( 1.996 18.753 0.000) 18.859 9.645 ( 0.128 -2.234 0.000) 2.238 9.782 ( -1.554 -23.031 0.000) 23.083 10.594 ( 21.129 -8.137 0.000) 22.641 10.772 ( 0.467 -9.038 0.000) 9.050 11.265 ( -0.857 5.600 0.000) 5.665 12.281 ( 16.550 3.261 0.000) 16.868 12.457 ( -4.033 2.473 0.000) 4.731 12.489 ( 4.095 -0.710 0.000) 4.156 12.503 ( 2.080 7.100 0.000) 7.399 12.810 ( -0.227 1.959 0.000) 1.972 14.120 ( -2.660 2.101 0.000) 3.390 14.331 ( 9.096 5.470 0.000) 10.614 15.350 ( -9.637 -3.684 0.000) 10.317 16.171 ( 13.491 -0.949 0.000) 13.524 17.001 ( 4.129 3.198 0.000) 5.222 17.534 ( 3.767 -6.051 0.000) 7.128 ======================= Grid point 77 (57/219) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 17.363 0.000) 17.363 1.412 ( 0.000 27.921 0.000) 27.921 1.454 ( 0.000 0.971 0.000) 0.971 1.875 ( 0.000 2.095 0.000) 2.095 2.184 ( -0.000 -0.568 0.000) 0.568 2.258 ( 0.000 5.097 0.000) 5.097 2.315 ( 0.000 22.796 0.000) 22.796 2.400 ( -0.000 -1.405 0.000) 1.405 2.475 ( 0.000 1.432 0.000) 1.432 2.636 ( 0.000 1.982 0.000) 1.982 3.178 ( -0.000 -17.949 0.000) 17.949 3.453 ( -0.000 -8.615 0.000) 8.615 3.490 ( -0.000 -28.847 0.000) 28.847 4.493 ( 0.000 16.812 0.000) 16.812 4.556 ( 0.000 10.828 0.000) 10.828 5.198 ( 0.000 0.035 0.000) 0.035 5.504 ( -0.000 -7.725 0.000) 7.725 5.847 ( -0.000 -15.985 0.000) 15.985 6.535 ( 0.000 13.997 0.000) 13.997 6.795 ( 0.000 13.790 0.000) 13.790 7.407 ( -0.000 -0.772 0.000) 0.772 7.640 ( -0.000 -0.760 0.000) 0.760 7.958 ( -0.000 -4.584 0.000) 4.584 7.961 ( -0.000 -0.997 0.000) 0.997 9.194 ( 0.000 19.909 0.000) 19.909 9.281 ( -0.000 -18.646 0.000) 18.646 9.662 ( -0.000 -2.244 0.000) 2.244 9.913 ( -0.000 -26.526 0.000) 26.526 10.828 ( -0.000 -10.394 0.000) 10.394 10.885 ( -0.000 -10.295 0.000) 10.295 11.236 ( 0.000 2.647 0.000) 2.647 12.400 ( 0.000 2.467 0.000) 2.467 12.435 ( 0.000 2.539 0.000) 2.539 12.472 ( 0.000 7.530 0.000) 7.530 12.522 ( 0.000 1.658 0.000) 1.658 12.804 ( 0.000 1.883 0.000) 1.883 14.067 ( 0.000 2.956 0.000) 2.956 14.380 ( 0.000 5.482 0.000) 5.482 15.241 ( 0.000 0.774 0.000) 0.774 16.313 ( -0.000 -0.950 0.000) 0.950 17.023 ( 0.000 3.181 0.000) 3.181 17.606 ( -0.000 -6.441 0.000) 6.441 ======================= Grid point 86 (58/219) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -3.869 -0.000 0.000) 3.869 2.498 ( 2.344 0.000 0.000) 2.344 2.624 ( -3.193 -0.000 0.000) 3.193 2.651 ( -3.418 -0.000 0.000) 3.418 3.047 ( -7.594 -0.000 0.000) 7.594 3.053 ( -3.623 -0.000 0.000) 3.623 3.306 ( -2.104 -0.000 0.000) 2.104 3.335 ( -11.090 -0.000 0.000) 11.090 3.667 ( -4.250 -0.000 0.000) 4.250 4.072 ( -3.172 -0.000 0.000) 3.172 4.199 ( 7.676 0.000 0.000) 7.676 4.487 ( -3.621 -0.000 0.000) 3.621 4.601 ( 5.602 0.000 0.000) 5.602 4.912 ( -6.591 -0.000 0.000) 6.591 5.008 ( -5.055 -0.000 0.000) 5.055 5.732 ( -15.687 -0.000 0.000) 15.687 5.777 ( -10.548 -0.000 0.000) 10.548 5.807 ( -12.448 -0.000 0.000) 12.448 7.406 ( 6.763 0.000 0.000) 6.763 7.595 ( 4.518 0.000 0.000) 4.518 8.202 ( -6.748 -0.000 0.000) 6.748 8.577 ( -6.043 -0.000 0.000) 6.043 8.882 ( -14.908 -0.000 0.000) 14.908 9.438 ( -1.622 -0.000 0.000) 1.622 9.586 ( -7.568 -0.000 0.000) 7.568 9.746 ( -18.057 -0.000 0.000) 18.057 10.119 ( -13.587 -0.000 0.000) 13.587 10.129 ( -4.120 -0.000 0.000) 4.120 10.354 ( -16.561 -0.000 0.000) 16.561 10.653 ( -2.438 -0.000 0.000) 2.438 11.121 ( -15.543 -0.000 0.000) 15.543 11.188 ( 17.557 0.000 0.000) 17.557 11.454 ( 6.825 0.000 0.000) 6.825 11.625 ( 19.100 0.000 0.000) 19.100 11.891 ( 24.341 0.000 0.000) 24.341 12.666 ( 27.543 0.000 0.000) 27.543 12.943 ( 0.141 0.000 0.000) 0.141 13.010 ( -4.000 -0.000 0.000) 4.000 15.220 ( 1.776 0.000 0.000) 1.776 15.665 ( -6.649 -0.000 0.000) 6.649 16.375 ( 8.516 0.000 0.000) 8.516 16.900 ( 3.046 0.000 0.000) 3.046 ======================= Grid point 88 (59/219) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -3.640 -2.838 0.000) 4.615 2.514 ( -0.985 5.185 0.000) 5.278 2.551 ( -6.420 2.266 0.000) 6.808 2.566 ( -2.331 -2.440 0.000) 3.375 2.912 ( -6.571 -0.558 0.000) 6.594 3.001 ( -2.898 -2.794 0.000) 4.026 3.138 ( -7.524 7.745 0.000) 10.798 3.272 ( -5.984 -10.170 0.000) 11.800 3.510 ( -13.010 -0.223 0.000) 13.012 3.921 ( -12.386 -0.735 0.000) 12.407 4.337 ( 6.299 1.408 0.000) 6.454 4.448 ( -1.129 1.568 0.000) 1.932 4.652 ( -4.598 -0.817 0.000) 4.670 4.754 ( -7.134 0.506 0.000) 7.151 4.922 ( -3.655 -1.018 0.000) 3.794 5.378 ( -21.176 1.156 0.000) 21.208 5.511 ( -13.952 4.658 0.000) 14.709 5.566 ( -14.674 -2.694 0.000) 14.919 7.484 ( 2.017 1.287 0.000) 2.393 7.681 ( 4.521 0.572 0.000) 4.557 8.085 ( -7.492 -3.288 0.000) 8.181 8.498 ( -3.959 -3.051 0.000) 4.998 8.667 ( -8.117 -1.280 0.000) 8.217 9.374 ( -6.160 -0.325 0.000) 6.169 9.428 ( -8.855 1.003 0.000) 8.912 9.447 ( -13.702 -1.338 0.000) 13.767 9.897 ( -10.325 -0.290 0.000) 10.329 9.995 ( -12.265 2.306 0.000) 12.480 10.062 ( -14.301 -4.002 0.000) 14.850 10.608 ( -1.680 0.734 0.000) 1.834 10.954 ( -0.394 -1.434 0.000) 1.487 11.508 ( 15.751 2.153 0.000) 15.898 11.555 ( 4.237 -2.785 0.000) 5.070 11.924 ( 15.505 2.096 0.000) 15.646 12.456 ( 33.413 -0.096 0.000) 33.413 12.921 ( -4.504 1.940 0.000) 4.904 12.955 ( -0.241 -2.259 0.000) 2.272 13.201 ( 29.531 0.286 0.000) 29.533 15.259 ( 2.713 0.295 0.000) 2.729 15.539 ( -7.222 -2.596 0.000) 7.674 16.539 ( 9.271 1.082 0.000) 9.334 16.968 ( 4.075 -0.918 0.000) 4.178 ======================= Grid point 89 (60/219) ======================= q-point: (-0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -4.282 -4.217 0.000) 6.010 2.402 ( -5.263 9.555 0.000) 10.908 2.405 ( -7.800 0.840 0.000) 7.845 2.549 ( -1.832 0.173 0.000) 1.840 2.819 ( -4.743 -4.312 0.000) 6.410 2.951 ( -7.904 8.321 0.000) 11.476 2.985 ( -1.344 -5.735 0.000) 5.891 3.159 ( -13.263 -10.145 0.000) 16.698 3.186 ( -21.746 -1.171 0.000) 21.778 3.656 ( -16.560 -2.091 0.000) 16.692 4.329 ( -8.950 3.842 0.000) 9.739 4.340 ( -17.010 6.513 0.000) 18.215 4.390 ( -11.377 2.996 0.000) 11.765 4.680 ( -6.284 -4.715 0.000) 7.856 4.889 ( -3.624 -2.446 0.000) 4.372 5.027 ( -9.238 1.755 0.000) 9.403 5.265 ( -9.666 4.049 0.000) 10.480 5.356 ( -6.518 -2.601 0.000) 7.018 7.478 ( -1.123 1.810 0.000) 2.130 7.740 ( 2.037 1.452 0.000) 2.501 7.933 ( -12.084 -5.110 0.000) 13.120 8.425 ( -7.775 -4.900 0.000) 9.190 8.571 ( -4.780 0.109 0.000) 4.781 9.152 ( -16.766 2.439 0.000) 16.943 9.281 ( -5.032 -3.688 0.000) 6.238 9.323 ( -2.540 -5.254 0.000) 5.836 9.679 ( -16.596 3.500 0.000) 16.961 9.743 ( -6.285 -0.365 0.000) 6.296 9.859 ( -12.226 -9.037 0.000) 15.203 10.589 ( 0.227 1.175 0.000) 1.196 11.132 ( 16.851 -1.205 0.000) 16.894 11.570 ( -1.598 -1.617 0.000) 2.273 11.807 ( 14.921 1.068 0.000) 14.959 12.187 ( 14.431 4.179 0.000) 15.024 12.813 ( -5.129 2.957 0.000) 5.920 12.962 ( -1.031 -2.716 0.000) 2.905 13.084 ( 33.566 0.999 0.000) 33.581 13.725 ( 26.006 1.699 0.000) 26.061 15.311 ( 2.388 -0.447 0.000) 2.429 15.462 ( -2.224 -6.069 0.000) 6.464 16.700 ( 8.928 2.282 0.000) 9.215 17.065 ( 5.482 -2.353 0.000) 5.966 ======================= Grid point 90 (61/219) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -7.669 -1.488 0.000) 7.812 2.226 ( -6.321 13.850 0.000) 15.224 2.251 ( -9.585 0.459 0.000) 9.595 2.485 ( -3.353 4.585 0.000) 5.680 2.696 ( -23.385 -2.957 0.000) 23.571 2.765 ( -8.610 -0.082 0.000) 8.610 2.816 ( -7.323 -8.544 0.000) 11.253 2.904 ( -17.918 -7.461 0.000) 19.409 3.018 ( 0.070 -7.542 0.000) 7.543 3.319 ( -20.941 -1.405 0.000) 20.989 3.860 ( -27.078 5.657 0.000) 27.663 3.936 ( -27.947 2.042 0.000) 28.021 4.070 ( -19.103 15.291 0.000) 24.470 4.638 ( -2.570 -12.795 0.000) 13.050 4.795 ( -1.077 7.194 0.000) 7.274 5.071 ( 5.614 -5.943 0.000) 8.176 5.107 ( -3.494 7.506 0.000) 8.279 5.363 ( 2.399 -6.789 0.000) 7.200 7.444 ( -1.309 1.272 0.000) 1.826 7.687 ( -16.961 -4.002 0.000) 17.427 7.734 ( -1.830 1.360 0.000) 2.280 8.221 ( -17.337 -4.744 0.000) 17.974 8.409 ( -12.094 1.741 0.000) 12.219 8.736 ( -25.725 3.129 0.000) 25.915 9.296 ( 3.699 -2.668 0.000) 4.560 9.308 ( -8.804 -0.949 0.000) 8.855 9.513 ( 1.810 -11.136 0.000) 11.283 9.665 ( -2.729 -0.812 0.000) 2.848 9.743 ( -2.817 -10.234 0.000) 10.615 10.602 ( 1.393 -0.328 0.000) 1.431 11.510 ( -3.930 2.351 0.000) 4.579 11.523 ( 23.643 1.037 0.000) 23.666 12.065 ( 13.030 -0.721 0.000) 13.050 12.400 ( 11.087 5.346 0.000) 12.308 12.707 ( -4.728 2.368 0.000) 5.288 12.935 ( -3.046 -1.006 0.000) 3.208 13.666 ( 29.486 2.917 0.000) 29.630 14.087 ( 12.890 2.283 0.000) 13.091 15.368 ( 2.535 -3.166 0.000) 4.056 15.549 ( 8.143 -6.345 0.000) 10.323 16.841 ( 7.822 3.159 0.000) 8.436 17.199 ( 6.771 -3.815 0.000) 7.772 ======================= Grid point 91 (62/219) ======================= q-point: (-0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -11.052 -0.445 0.000) 11.061 1.991 ( -15.509 4.597 0.000) 16.176 2.016 ( -7.266 16.843 0.000) 18.343 2.182 ( -25.819 0.912 0.000) 25.835 2.414 ( -3.336 3.904 0.000) 5.136 2.556 ( -14.669 3.337 0.000) 15.044 2.736 ( -6.863 -20.041 0.000) 21.183 2.804 ( -3.063 -10.021 0.000) 10.479 2.914 ( -22.030 -1.251 0.000) 22.066 3.034 ( -5.424 -5.680 0.000) 7.854 3.331 ( -25.834 1.813 0.000) 25.898 3.423 ( -22.520 -4.171 0.000) 22.903 3.585 ( -18.345 26.047 0.000) 31.859 4.689 ( -0.143 -9.111 0.000) 9.113 4.756 ( 1.254 9.250 0.000) 9.335 5.052 ( 0.813 2.924 0.000) 3.035 5.217 ( 5.455 -7.079 0.000) 8.937 5.470 ( 3.835 -8.063 0.000) 8.929 7.336 ( -18.634 0.866 0.000) 18.654 7.432 ( -2.737 -0.491 0.000) 2.781 7.619 ( -12.406 5.188 0.000) 13.447 7.900 ( -15.903 -8.986 0.000) 18.266 8.152 ( -14.282 0.174 0.000) 14.283 8.220 ( -25.364 1.664 0.000) 25.419 9.138 ( -9.312 -6.118 0.000) 11.142 9.406 ( 7.697 4.826 0.000) 9.085 9.539 ( -5.808 -14.814 0.000) 15.912 9.632 ( -1.773 -1.146 0.000) 2.111 10.026 ( 22.118 -9.213 0.000) 23.960 10.640 ( 1.072 -4.030 0.000) 4.170 11.425 ( -1.571 8.071 0.000) 8.223 11.956 ( 23.109 2.662 0.000) 23.262 12.297 ( 10.333 -3.318 0.000) 10.852 12.533 ( 6.347 5.506 0.000) 8.403 12.598 ( -5.916 1.660 0.000) 6.144 12.873 ( -3.084 1.054 0.000) 3.260 14.110 ( 17.911 4.699 0.000) 18.517 14.201 ( 3.876 1.119 0.000) 4.035 15.388 ( -3.718 -6.038 0.000) 7.090 15.836 ( 18.044 -2.354 0.000) 18.197 16.955 ( 6.260 3.043 0.000) 6.960 17.348 ( 6.326 -4.529 0.000) 7.780 ======================= Grid point 92 (63/219) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -18.222 7.670 0.000) 19.770 1.674 ( -19.607 1.442 0.000) 19.660 1.797 ( -4.763 -2.881 0.000) 5.567 1.869 ( -3.436 20.429 0.000) 20.716 2.289 ( -11.339 0.450 0.000) 11.347 2.350 ( -0.783 5.407 0.000) 5.463 2.539 ( -15.389 -0.510 0.000) 15.397 2.677 ( -15.042 1.611 0.000) 15.128 2.732 ( -6.107 -2.919 0.000) 6.768 2.920 ( -4.011 -13.881 0.000) 14.449 2.949 ( -16.518 -6.415 0.000) 17.720 3.188 ( -6.029 19.723 0.000) 20.624 3.289 ( -2.039 -11.694 0.000) 11.871 4.701 ( -0.299 3.285 0.000) 3.298 4.724 ( 0.990 9.992 0.000) 10.040 5.096 ( 2.154 -5.821 0.000) 6.207 5.340 ( 3.204 -7.559 0.000) 8.210 5.584 ( 2.742 -10.036 0.000) 10.403 6.948 ( -17.847 7.622 0.000) 19.406 7.220 ( -19.493 9.882 0.000) 21.855 7.407 ( -1.225 -0.560 0.000) 1.347 7.786 ( -16.399 0.156 0.000) 16.400 7.814 ( -3.148 -11.900 0.000) 12.310 7.983 ( -6.815 -2.636 0.000) 7.308 9.052 ( -5.375 -12.374 0.000) 13.491 9.479 ( 4.576 13.968 0.000) 14.698 9.547 ( -2.871 -18.154 0.000) 18.380 9.624 ( 0.757 -1.266 0.000) 1.475 10.501 ( 20.830 -8.028 0.000) 22.324 10.677 ( -0.679 -7.625 0.000) 7.655 11.361 ( 0.206 11.036 0.000) 11.038 12.314 ( 15.704 2.439 0.000) 15.892 12.467 ( 5.290 -3.313 0.000) 6.242 12.481 ( -4.613 1.825 0.000) 4.961 12.573 ( 1.489 5.333 0.000) 5.537 12.826 ( -1.129 0.944 0.000) 1.471 14.143 ( -2.462 1.880 0.000) 3.098 14.387 ( 8.949 4.408 0.000) 9.976 15.313 ( -6.062 -2.888 0.000) 6.714 16.158 ( 13.540 -1.297 0.000) 13.602 17.034 ( 3.721 2.526 0.000) 4.498 17.471 ( 3.810 -4.944 0.000) 6.242 ======================= Grid point 93 (64/219) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 13.081 0.000) 13.081 1.464 ( 0.000 0.736 0.000) 0.736 1.712 ( 0.000 25.161 0.000) 25.161 1.792 ( -0.000 -8.383 0.000) 8.383 2.176 ( -0.000 -0.788 0.000) 0.788 2.319 ( 0.000 5.849 0.000) 5.849 2.388 ( -0.000 -0.760 0.000) 0.760 2.491 ( 0.000 1.261 0.000) 1.261 2.656 ( 0.000 1.552 0.000) 1.552 2.690 ( 0.000 31.918 0.000) 31.918 2.982 ( -0.000 -16.650 0.000) 16.650 3.184 ( -0.000 -21.180 0.000) 21.180 3.342 ( -0.000 -11.049 0.000) 11.049 4.655 ( 0.000 10.847 0.000) 10.847 4.677 ( 0.000 10.390 0.000) 10.390 5.159 ( -0.000 -6.695 0.000) 6.695 5.415 ( -0.000 -7.846 0.000) 7.846 5.678 ( -0.000 -13.076 0.000) 13.076 6.692 ( 0.000 13.413 0.000) 13.413 6.949 ( 0.000 13.018 0.000) 13.018 7.398 ( -0.000 -0.806 0.000) 0.806 7.631 ( -0.000 -0.697 0.000) 0.697 7.857 ( -0.000 -11.751 0.000) 11.751 7.939 ( -0.000 -2.920 0.000) 2.920 9.083 ( -0.000 -15.902 0.000) 15.902 9.423 ( 0.000 18.614 0.000) 18.614 9.636 ( -0.000 -21.957 0.000) 21.957 9.644 ( -0.000 -0.554 0.000) 0.554 10.715 ( -0.000 -9.483 0.000) 9.483 10.772 ( -0.000 -9.427 0.000) 9.427 11.304 ( 0.000 9.455 0.000) 9.455 12.424 ( 0.000 1.799 0.000) 1.799 12.460 ( 0.000 1.885 0.000) 1.885 12.529 ( -0.000 -0.849 0.000) 0.849 12.548 ( 0.000 5.888 0.000) 5.888 12.816 ( 0.000 0.337 0.000) 0.337 14.099 ( 0.000 2.596 0.000) 2.596 14.438 ( 0.000 4.631 0.000) 4.631 15.248 ( 0.000 0.547 0.000) 0.547 16.300 ( -0.000 -1.387 0.000) 1.387 17.056 ( 0.000 2.539 0.000) 2.539 17.537 ( -0.000 -5.547 0.000) 5.547 ======================= Grid point 104 (65/219) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -3.361 -0.000 0.000) 3.361 2.408 ( -8.953 -0.000 0.000) 8.953 2.470 ( -4.855 -0.000 0.000) 4.855 2.540 ( -0.589 -0.000 0.000) 0.589 2.794 ( -5.455 -0.000 0.000) 5.455 2.950 ( -1.939 -0.000 0.000) 1.939 3.050 ( -6.704 -0.000 0.000) 6.704 3.052 ( -13.845 -0.000 0.000) 13.845 3.179 ( -21.913 -0.000 0.000) 21.913 3.642 ( -16.570 -0.000 0.000) 16.570 4.352 ( -9.404 -0.000 0.000) 9.404 4.372 ( -21.352 -0.000 0.000) 21.352 4.417 ( -3.690 -0.000 0.000) 3.690 4.648 ( -9.589 -0.000 0.000) 9.589 4.873 ( -0.985 -0.000 0.000) 0.985 5.038 ( -11.541 -0.000 0.000) 11.541 5.292 ( -6.658 -0.000 0.000) 6.658 5.338 ( -9.921 -0.000 0.000) 9.921 7.488 ( -1.410 -0.000 0.000) 1.410 7.749 ( 1.991 0.000 0.000) 1.991 7.903 ( -11.374 -0.000 0.000) 11.374 8.397 ( -7.152 -0.000 0.000) 7.152 8.571 ( -3.958 -0.000 0.000) 3.958 9.169 ( -16.203 -0.000 0.000) 16.203 9.259 ( -5.163 -0.000 0.000) 5.163 9.290 ( -4.286 -0.000 0.000) 4.286 9.719 ( -17.994 -0.000 0.000) 17.994 9.741 ( -6.259 -0.000 0.000) 6.259 9.788 ( -11.811 -0.000 0.000) 11.811 10.596 ( -0.013 -0.000 0.000) 0.013 11.125 ( 17.561 0.000 0.000) 17.561 11.560 ( -0.985 -0.000 0.000) 0.985 11.813 ( 14.749 0.000 0.000) 14.749 12.211 ( 14.336 0.000 0.000) 14.336 12.833 ( -5.368 -0.000 0.000) 5.368 12.943 ( -0.560 -0.000 0.000) 0.560 13.089 ( 33.946 0.000 0.000) 33.946 13.735 ( 26.228 0.000 0.000) 26.228 15.309 ( 2.385 0.000 0.000) 2.385 15.427 ( -2.657 -0.000 0.000) 2.657 16.713 ( 9.001 0.000 0.000) 9.001 17.052 ( 5.281 0.000 0.000) 5.281 ======================= Grid point 106 (66/219) ======================= q-point: (-0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -5.115 0.328 0.000) 5.125 2.241 ( -9.082 -1.184 0.000) 9.159 2.356 ( -4.797 7.962 0.000) 9.296 2.511 ( -2.636 -0.280 0.000) 2.651 2.686 ( -21.634 1.352 0.000) 21.676 2.730 ( -9.801 -5.749 0.000) 11.363 2.740 ( -18.077 -2.484 0.000) 18.247 2.881 ( -12.611 0.737 0.000) 12.633 2.952 ( -0.474 -3.527 0.000) 3.559 3.305 ( -20.261 -0.807 0.000) 20.277 3.898 ( -28.399 1.491 0.000) 28.438 3.953 ( -29.314 0.783 0.000) 29.324 4.255 ( -11.075 16.079 0.000) 19.524 4.473 ( -8.271 -15.100 0.000) 17.216 4.862 ( 0.490 4.013 0.000) 4.043 5.013 ( 4.536 -3.627 0.000) 5.808 5.185 ( -3.897 5.527 0.000) 6.763 5.294 ( 2.457 -5.015 0.000) 5.584 7.454 ( -1.732 0.496 0.000) 1.802 7.657 ( -15.424 -1.326 0.000) 15.481 7.743 ( -2.344 0.319 0.000) 2.366 8.188 ( -16.477 -1.358 0.000) 16.533 8.422 ( -12.559 0.533 0.000) 12.571 8.762 ( -26.289 1.355 0.000) 26.324 9.271 ( 5.580 -1.340 0.000) 5.738 9.321 ( -0.489 2.598 0.000) 2.644 9.409 ( -9.597 -6.597 0.000) 11.646 9.659 ( -0.693 -4.051 0.000) 4.110 9.660 ( -2.838 -0.204 0.000) 2.845 10.601 ( 0.366 -0.015 0.000) 0.366 11.530 ( -1.482 0.903 0.000) 1.736 11.531 ( 24.484 0.390 0.000) 24.487 12.060 ( 11.784 -0.211 0.000) 11.785 12.441 ( 10.664 1.853 0.000) 10.824 12.727 ( -5.576 1.036 0.000) 5.671 12.925 ( -1.871 -0.621 0.000) 1.972 13.689 ( 30.020 1.079 0.000) 30.040 14.105 ( 12.354 0.829 0.000) 12.381 15.340 ( 0.496 -1.401 0.000) 1.486 15.502 ( 10.848 -2.066 0.000) 11.043 16.866 ( 7.685 1.233 0.000) 7.783 17.168 ( 6.688 -1.471 0.000) 6.848 ======================= Grid point 107 (67/219) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -10.345 2.197 0.000) 10.576 2.045 ( -12.189 4.883 0.000) 13.131 2.148 ( -24.858 3.396 0.000) 25.089 2.227 ( -7.473 9.830 0.000) 12.348 2.455 ( -2.526 1.873 0.000) 3.145 2.512 ( -9.743 -17.177 0.000) 19.748 2.590 ( -16.674 2.087 0.000) 16.804 2.696 ( -2.748 -7.599 0.000) 8.081 2.905 ( -22.174 -0.478 0.000) 22.179 2.975 ( -1.285 -4.687 0.000) 4.860 3.347 ( -28.536 1.013 0.000) 28.554 3.388 ( -28.433 -2.009 0.000) 28.504 3.901 ( -11.115 28.794 0.000) 30.865 4.503 ( -1.627 -21.915 0.000) 21.975 4.849 ( 1.308 6.813 0.000) 6.937 5.111 ( -0.890 5.824 0.000) 5.892 5.142 ( 5.430 -5.683 0.000) 7.860 5.393 ( 4.163 -5.464 0.000) 6.869 7.348 ( -16.822 1.037 0.000) 16.853 7.427 ( -1.938 -0.389 0.000) 1.977 7.663 ( -7.361 2.364 0.000) 7.731 7.823 ( -20.569 -4.263 0.000) 21.006 8.151 ( -14.763 -0.173 0.000) 14.764 8.235 ( -27.465 1.005 0.000) 27.483 9.099 ( -12.096 -1.215 0.000) 12.157 9.399 ( -4.956 -9.389 0.000) 10.617 9.439 ( 11.130 1.497 0.000) 11.230 9.623 ( -1.736 -0.545 0.000) 1.819 9.940 ( 23.678 -5.470 0.000) 24.302 10.606 ( -0.491 -1.990 0.000) 2.050 11.510 ( 1.518 6.126 0.000) 6.312 11.979 ( 23.146 1.422 0.000) 23.190 12.260 ( 8.838 -2.867 0.000) 9.291 12.580 ( 5.675 2.883 0.000) 6.365 12.613 ( -6.137 0.915 0.000) 6.205 12.880 ( -2.696 0.397 0.000) 2.725 14.156 ( 18.227 3.217 0.000) 18.509 14.207 ( 3.156 0.035 0.000) 3.157 15.333 ( -2.844 -3.478 0.000) 4.493 15.815 ( 19.296 -1.275 0.000) 19.338 16.983 ( 5.724 1.802 0.000) 6.001 17.306 ( 6.562 -2.611 0.000) 7.063 ======================= Grid point 108 (68/219) ======================= q-point: (-0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -15.049 4.054 0.000) 15.585 1.681 ( -20.536 0.182 0.000) 20.537 1.824 ( -5.470 7.551 0.000) 9.324 2.087 ( -0.894 17.442 0.000) 17.465 2.293 ( -12.850 0.264 0.000) 12.853 2.408 ( -0.520 3.975 0.000) 4.009 2.523 ( -9.772 -8.403 0.000) 12.888 2.562 ( -7.088 -15.623 0.000) 17.156 2.668 ( -8.474 -4.595 0.000) 9.640 2.815 ( -11.012 -2.301 0.000) 11.250 2.885 ( -19.674 -1.413 0.000) 19.724 3.147 ( -3.181 -13.234 0.000) 13.611 3.555 ( -5.797 36.345 0.000) 36.804 4.613 ( 0.172 -18.588 0.000) 18.589 4.829 ( 0.913 8.180 0.000) 8.231 5.080 ( 0.379 3.278 0.000) 3.300 5.260 ( 3.185 -6.557 0.000) 7.290 5.493 ( 2.720 -6.291 0.000) 6.853 7.028 ( -14.060 5.956 0.000) 15.269 7.320 ( -18.182 7.369 0.000) 19.619 7.400 ( -1.417 -0.558 0.000) 1.523 7.690 ( -3.437 -9.394 0.000) 10.003 7.789 ( -17.281 0.313 0.000) 17.284 7.949 ( -8.145 -3.056 0.000) 8.700 8.943 ( -6.842 -6.946 0.000) 9.750 9.378 ( -3.049 -11.599 0.000) 11.993 9.585 ( 0.983 3.332 0.000) 3.474 9.628 ( 6.958 3.422 0.000) 7.754 10.421 ( 21.138 -5.839 0.000) 21.929 10.604 ( -1.653 -5.044 0.000) 5.308 11.500 ( 2.373 12.480 0.000) 12.704 12.336 ( 15.002 1.490 0.000) 15.076 12.416 ( 5.105 -5.407 0.000) 7.436 12.498 ( -4.949 1.099 0.000) 5.069 12.622 ( 1.034 3.327 0.000) 3.484 12.834 ( -1.745 0.488 0.000) 1.812 14.161 ( -2.426 1.227 0.000) 2.718 14.429 ( 8.696 2.853 0.000) 9.152 15.286 ( -3.277 -1.855 0.000) 3.765 16.144 ( 13.539 -1.096 0.000) 13.583 17.057 ( 3.233 1.598 0.000) 3.606 17.425 ( 4.026 -3.210 0.000) 5.149 ======================= Grid point 109 (69/219) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 8.720 0.000) 8.720 1.471 ( 0.000 0.473 0.000) 0.473 1.750 ( 0.000 1.911 0.000) 1.911 1.976 ( 0.000 21.168 0.000) 21.168 2.167 ( -0.000 -0.813 0.000) 0.813 2.382 ( -0.000 -0.261 0.000) 0.261 2.390 ( 0.000 6.376 0.000) 6.376 2.503 ( 0.000 0.927 0.000) 0.927 2.670 ( 0.000 1.057 0.000) 1.057 2.705 ( -0.000 -24.281 0.000) 24.281 2.810 ( -0.000 -13.200 0.000) 13.200 3.205 ( -0.000 -13.173 0.000) 13.173 3.293 ( 0.000 35.147 0.000) 35.147 4.691 ( -0.000 -7.317 0.000) 7.317 4.788 ( 0.000 9.195 0.000) 9.195 5.086 ( -0.000 -3.021 0.000) 3.021 5.329 ( -0.000 -7.232 0.000) 7.232 5.560 ( -0.000 -8.026 0.000) 8.026 6.830 ( 0.000 10.671 0.000) 10.671 7.082 ( 0.000 10.184 0.000) 10.184 7.389 ( -0.000 -0.757 0.000) 0.757 7.625 ( -0.000 -0.508 0.000) 0.508 7.720 ( -0.000 -11.481 0.000) 11.481 7.897 ( -0.000 -4.241 0.000) 4.241 8.930 ( -0.000 -10.880 0.000) 10.880 9.425 ( -0.000 -15.192 0.000) 15.192 9.565 ( 0.000 4.869 0.000) 4.869 9.675 ( 0.000 7.059 0.000) 7.059 10.619 ( -0.000 -7.269 0.000) 7.269 10.677 ( -0.000 -7.250 0.000) 7.250 11.443 ( 0.000 14.535 0.000) 14.535 12.440 ( 0.000 1.114 0.000) 1.114 12.477 ( 0.000 1.192 0.000) 1.192 12.497 ( -0.000 -4.722 0.000) 4.722 12.605 ( 0.000 4.058 0.000) 4.058 12.816 ( -0.000 -0.029 0.000) 0.029 14.124 ( 0.000 1.792 0.000) 1.792 14.483 ( 0.000 3.325 0.000) 3.325 15.254 ( 0.000 0.419 0.000) 0.419 16.284 ( -0.000 -1.398 0.000) 1.398 17.080 ( 0.000 1.640 0.000) 1.640 17.483 ( -0.000 -3.935 0.000) 3.935 ======================= Grid point 122 (70/219) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.838 -0.000 0.000) 10.838 2.084 ( -7.021 -0.000 0.000) 7.021 2.157 ( -28.705 -0.000 0.000) 28.705 2.312 ( -2.658 -0.000 0.000) 2.658 2.397 ( -14.440 -0.000 0.000) 14.440 2.448 ( -3.551 -0.000 0.000) 3.551 2.603 ( -17.368 -0.000 0.000) 17.368 2.656 ( -2.310 -0.000 0.000) 2.310 2.903 ( -22.032 -0.000 0.000) 22.032 2.944 ( 0.482 0.000 0.000) 0.482 3.353 ( -29.072 -0.000 0.000) 29.072 3.376 ( -30.594 -0.000 0.000) 30.594 4.215 ( -4.614 -0.000 0.000) 4.614 4.227 ( -6.679 -0.000 0.000) 6.679 4.893 ( 1.099 0.000 0.000) 1.099 5.105 ( 5.664 0.000 0.000) 5.664 5.151 ( -1.490 -0.000 0.000) 1.490 5.358 ( 4.679 0.000 0.000) 4.679 7.355 ( -16.261 -0.000 0.000) 16.261 7.425 ( -1.598 -0.000 0.000) 1.598 7.675 ( -4.352 -0.000 0.000) 4.352 7.801 ( -23.525 -0.000 0.000) 23.525 8.150 ( -15.004 -0.000 0.000) 15.004 8.241 ( -28.225 -0.000 0.000) 28.225 9.096 ( -13.942 -0.000 0.000) 13.942 9.342 ( -3.682 -0.000 0.000) 3.682 9.447 ( 12.332 0.000 0.000) 12.332 9.620 ( -1.732 -0.000 0.000) 1.732 9.909 ( 24.250 0.000 0.000) 24.250 10.595 ( -1.073 -0.000 0.000) 1.073 11.547 ( 3.047 0.000 0.000) 3.047 11.987 ( 23.144 0.000 0.000) 23.144 12.241 ( 7.933 0.000 0.000) 7.933 12.597 ( 5.434 0.000 0.000) 5.434 12.618 ( -6.231 -0.000 0.000) 6.231 12.883 ( -2.519 -0.000 0.000) 2.519 14.177 ( 21.163 0.000 0.000) 21.163 14.205 ( 0.045 0.000 0.000) 0.045 15.313 ( -2.443 -0.000 0.000) 2.443 15.808 ( 19.675 0.000 0.000) 19.675 16.993 ( 5.484 0.000 0.000) 5.484 17.291 ( 6.700 0.000 0.000) 6.700 ======================= Grid point 124 (71/219) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -13.528 1.427 0.000) 13.603 1.682 ( -20.470 0.010 0.000) 20.470 1.947 ( -3.913 11.910 0.000) 12.537 2.255 ( 0.233 11.406 0.000) 11.408 2.289 ( -4.150 -16.829 0.000) 17.333 2.295 ( -12.986 -1.196 0.000) 13.041 2.409 ( -1.585 -4.179 0.000) 4.470 2.537 ( -15.639 -0.144 0.000) 15.640 2.613 ( -4.272 -2.601 0.000) 5.001 2.858 ( -15.008 7.680 0.000) 16.859 2.881 ( -19.893 0.024 0.000) 19.893 2.999 ( -3.460 -11.931 0.000) 12.422 3.961 ( -3.174 34.792 0.000) 34.937 4.330 ( -1.100 -29.870 0.000) 29.890 4.900 ( 0.727 3.739 0.000) 3.809 5.126 ( -0.296 3.010 0.000) 3.024 5.201 ( 3.345 -3.161 0.000) 4.602 5.441 ( 3.001 -2.671 0.000) 4.018 7.075 ( -12.183 2.227 0.000) 12.385 7.380 ( -18.208 2.923 0.000) 18.441 7.396 ( -1.508 -0.250 0.000) 1.528 7.614 ( -3.097 -3.708 0.000) 4.831 7.792 ( -17.961 0.202 0.000) 17.962 7.922 ( -8.943 -1.406 0.000) 9.053 8.892 ( -7.925 -2.101 0.000) 8.199 9.289 ( -2.708 -4.013 0.000) 4.842 9.593 ( -1.133 -0.092 0.000) 1.137 9.669 ( 10.460 2.060 0.000) 10.661 10.375 ( 21.491 -2.139 0.000) 21.597 10.565 ( -2.246 -1.755 0.000) 2.850 11.613 ( 4.533 6.026 0.000) 7.541 12.347 ( 14.605 0.500 0.000) 14.613 12.362 ( 4.171 -3.193 0.000) 5.252 12.506 ( -5.189 0.365 0.000) 5.201 12.648 ( 0.784 1.134 0.000) 1.379 12.837 ( -1.972 0.174 0.000) 1.980 14.170 ( -2.459 0.418 0.000) 2.494 14.451 ( 8.510 0.987 0.000) 8.567 15.271 ( -1.728 -0.638 0.000) 1.842 16.135 ( 13.524 -0.427 0.000) 13.531 17.069 ( 2.876 0.544 0.000) 2.927 17.400 ( 4.238 -1.109 0.000) 4.381 ======================= Grid point 125 (72/219) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 4.360 0.000) 4.360 1.475 ( 0.000 0.227 0.000) 0.227 1.837 ( 0.000 12.680 0.000) 12.680 2.159 ( -0.000 -0.527 0.000) 0.527 2.187 ( 0.000 16.173 0.000) 16.173 2.381 ( -0.000 -0.030 0.000) 0.030 2.401 ( -0.000 -26.368 0.000) 26.368 2.432 ( -0.000 -1.282 0.000) 1.282 2.511 ( 0.000 0.488 0.000) 0.488 2.679 ( 0.000 0.532 0.000) 0.532 2.714 ( -0.000 -1.729 0.000) 1.729 3.053 ( -0.000 -12.966 0.000) 12.966 3.721 ( 0.000 38.118 0.000) 38.118 4.485 ( -0.000 -26.595 0.000) 26.595 4.878 ( 0.000 6.285 0.000) 6.285 5.104 ( 0.000 3.939 0.000) 3.939 5.257 ( -0.000 -5.187 0.000) 5.187 5.490 ( -0.000 -4.457 0.000) 4.457 6.926 ( 0.000 5.979 0.000) 5.979 7.172 ( 0.000 5.605 0.000) 5.605 7.381 ( -0.000 -0.516 0.000) 0.516 7.614 ( -0.000 -6.799 0.000) 6.799 7.620 ( -0.000 -0.254 0.000) 0.254 7.852 ( -0.000 -3.242 0.000) 3.242 8.839 ( -0.000 -5.258 0.000) 5.258 9.295 ( -0.000 -7.643 0.000) 7.643 9.582 ( 0.000 0.056 0.000) 0.056 9.755 ( 0.000 5.292 0.000) 5.292 10.555 ( -0.000 -3.962 0.000) 3.962 10.612 ( -0.000 -3.961 0.000) 3.961 11.606 ( 0.000 12.534 0.000) 12.534 12.431 ( -0.000 -6.140 0.000) 6.140 12.449 ( 0.000 0.518 0.000) 0.518 12.487 ( 0.000 0.564 0.000) 0.564 12.639 ( 0.000 2.079 0.000) 2.079 12.817 ( 0.000 0.114 0.000) 0.114 14.139 ( 0.000 0.878 0.000) 0.878 14.512 ( 0.000 1.729 0.000) 1.729 15.257 ( 0.000 0.256 0.000) 0.256 16.270 ( -0.000 -0.882 0.000) 0.882 17.093 ( 0.000 0.757 0.000) 0.757 17.450 ( -0.000 -1.994 0.000) 1.994 ======================= Grid point 141 (73/219) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.328 ( -0.000 -0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 4.134 ( -0.000 -0.002 0.000) 0.002 4.135 ( 0.000 0.002 0.000) 0.002 4.917 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.651 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.522 ( 0.000 0.000 0.000) 0.000 15.259 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 17.097 ( 0.000 0.000 0.000) 0.000 17.438 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 265 (74/219) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 0.000 21.995) 21.995 0.677 ( 0.000 0.000 29.820) 29.820 1.093 ( 0.000 0.000 48.515) 48.515 1.287 ( 0.000 0.000 -11.129) 11.129 1.852 ( 0.000 0.000 -21.037) 21.037 2.238 ( 0.000 0.000 3.470) 3.470 2.394 ( 0.000 0.000 -2.733) 2.733 2.503 ( 0.000 0.000 1.202) 1.202 2.539 ( 0.000 0.000 -0.389) 0.389 3.066 ( 0.000 0.000 -38.362) 38.362 3.208 ( 0.000 0.000 15.599) 15.599 3.648 ( 0.000 0.000 -0.663) 0.663 4.213 ( 0.000 0.000 -4.070) 4.070 4.232 ( 0.000 0.000 -4.224) 4.224 4.435 ( 0.000 0.000 15.442) 15.442 4.861 ( 0.000 0.000 -2.859) 2.859 5.832 ( 0.000 0.000 8.766) 8.766 6.180 ( 0.000 0.000 2.800) 2.800 6.225 ( 0.000 0.000 -5.897) 5.897 6.361 ( 0.000 0.000 -3.741) 3.741 7.469 ( 0.000 0.000 3.411) 3.411 7.575 ( 0.000 0.000 2.082) 2.082 7.633 ( 0.000 0.000 -2.491) 2.491 7.676 ( 0.000 0.000 -1.530) 1.530 8.272 ( 0.000 0.000 10.305) 10.305 9.018 ( 0.000 0.000 -19.340) 19.340 10.112 ( 0.000 0.000 15.692) 15.692 10.710 ( 0.000 0.000 -9.675) 9.675 11.151 ( 0.000 0.000 0.632) 0.632 11.187 ( 0.000 0.000 -0.670) 0.670 11.442 ( 0.000 0.000 8.163) 8.163 11.883 ( 0.000 0.000 -10.628) 10.628 12.306 ( 0.000 0.000 0.442) 0.442 12.318 ( 0.000 0.000 7.111) 7.111 12.330 ( 0.000 0.000 -0.411) 0.411 12.463 ( 0.000 0.000 -0.366) 0.366 14.161 ( 0.000 0.000 -0.250) 0.250 14.174 ( 0.000 0.000 -0.812) 0.812 15.476 ( 0.000 0.000 4.005) 4.005 15.739 ( 0.000 0.000 -5.436) 5.436 17.857 ( 0.000 0.000 4.170) 4.170 18.056 ( 0.000 0.000 -2.998) 2.998 ======================= Grid point 266 (75/219) ======================= q-point: ( 0.06 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 14.085 4.918 23.909) 28.182 0.928 ( 21.412 -10.988 19.656) 31.073 1.414 ( 32.974 -9.655 31.017) 46.288 1.570 ( 25.747 -0.493 -9.938) 27.603 1.887 ( 4.735 0.320 -19.114) 19.694 2.369 ( 12.832 0.339 2.761) 13.130 2.555 ( 15.711 1.596 -3.149) 16.102 2.641 ( 13.549 1.396 0.629) 13.635 2.674 ( 13.555 -3.179 -0.763) 13.944 3.064 ( 4.283 12.849 -9.138) 16.339 3.214 ( 1.519 -12.609 -11.787) 17.327 3.619 ( -2.118 1.333 -1.969) 3.185 4.059 ( -4.843 10.193 3.377) 11.779 4.199 ( -2.297 4.665 -5.562) 7.614 4.433 ( -1.621 -6.541 15.653) 17.042 4.837 ( -2.723 -5.164 -3.391) 6.751 5.788 ( -4.101 1.534 8.538) 9.595 6.170 ( -4.401 2.943 -5.952) 7.966 6.861 ( 43.998 1.397 -2.291) 44.079 7.282 ( 42.432 18.936 -24.390) 52.478 7.505 ( 7.180 -1.631 5.222) 9.027 7.661 ( 13.101 11.093 -0.120) 17.167 7.758 ( 12.357 -0.916 -2.070) 12.563 7.922 ( 23.502 -16.350 -16.905) 33.248 8.379 ( 7.161 -21.020 2.774) 22.379 9.101 ( 7.967 -5.288 -21.831) 23.833 10.097 ( 0.267 5.425 15.109) 16.056 10.669 ( -2.542 10.163 -7.944) 13.147 10.869 ( -23.832 -2.417 15.732) 28.659 11.087 ( -6.038 1.798 -0.133) 6.302 11.419 ( -2.190 0.774 8.194) 8.517 11.901 ( -1.210 -3.032 -13.808) 14.188 12.103 ( -17.830 -0.955 -2.905) 18.090 12.181 ( 0.526 -2.476 -9.651) 9.978 12.548 ( 4.316 -0.056 4.384) 6.153 12.588 ( 8.671 -1.698 3.056) 9.349 14.087 ( -8.893 -0.574 0.220) 8.915 14.155 ( -1.971 -0.170 -1.796) 2.673 15.583 ( 9.486 4.126 -4.441) 11.258 15.728 ( -2.833 -4.374 -6.281) 8.161 17.646 ( -25.379 7.825 19.775) 33.111 17.794 ( -7.270 0.117 2.830) 7.803 ======================= Grid point 267 (76/219) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 20.219 1.539 14.729) 25.063 1.337 ( 16.370 -16.582 19.697) 30.511 1.970 ( 12.553 5.418 -15.811) 20.903 2.125 ( 23.053 -5.959 -11.694) 26.528 2.229 ( 42.106 -3.931 12.343) 44.054 2.645 ( 17.200 3.567 1.980) 17.677 2.873 ( 17.900 3.464 -1.316) 18.279 2.956 ( 19.257 -0.572 1.896) 19.359 3.041 ( 21.640 -4.295 -1.122) 22.090 3.139 ( 11.245 6.572 8.643) 15.632 3.421 ( 13.985 -9.367 -23.072) 28.560 3.577 ( -0.640 1.971 -3.756) 4.290 3.940 ( -1.644 9.927 1.498) 10.173 4.095 ( -3.479 11.490 -5.785) 13.326 4.471 ( 0.827 -10.456 14.506) 17.901 4.813 ( -3.962 -8.064 -2.655) 9.369 5.666 ( -7.439 3.064 8.046) 11.378 6.027 ( -8.267 5.058 -5.448) 11.118 7.344 ( 5.692 1.084 -1.299) 5.938 7.523 ( 7.766 3.839 -3.911) 9.505 7.885 ( 17.529 8.915 -0.205) 19.667 7.999 ( 27.415 0.999 -4.137) 27.743 8.117 ( 29.608 -6.390 2.294) 30.377 8.313 ( 21.075 11.992 2.419) 24.369 8.718 ( 13.360 -16.325 -5.246) 21.737 9.337 ( 10.754 -5.340 -21.414) 24.550 10.082 ( 3.413 9.409 13.315) 16.658 10.387 ( -16.470 6.723 13.805) 22.517 10.643 ( -4.647 5.122 -3.678) 7.833 10.918 ( -10.223 2.002 -4.164) 11.218 11.355 ( -4.973 -1.337 7.263) 8.904 11.801 ( -12.145 -0.975 2.669) 12.473 11.842 ( -7.951 -5.320 -12.228) 15.525 12.293 ( 7.966 -3.014 -17.340) 19.319 12.583 ( -1.456 2.788 7.754) 8.367 12.661 ( 0.633 -3.816 4.285) 5.773 13.862 ( -15.535 -1.954 2.340) 15.831 14.054 ( -10.050 -1.147 -4.634) 11.126 15.638 ( -4.007 1.107 -2.275) 4.739 15.742 ( 4.781 0.788 -13.334) 14.187 17.230 ( -16.351 2.925 22.316) 27.820 17.629 ( -9.346 1.932 -0.720) 9.571 ======================= Grid point 268 (77/219) ======================= q-point: ( 0.19 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 19.194 -2.337 8.335) 21.056 1.729 ( 15.746 -13.601 13.530) 24.819 2.155 ( 12.024 6.136 -14.914) 20.116 2.508 ( 13.087 -9.532 -15.153) 22.175 2.748 ( 12.004 10.750 9.831) 18.876 3.072 ( 21.540 9.234 -4.277) 23.823 3.144 ( 17.654 -9.876 8.053) 21.773 3.322 ( 20.709 1.417 2.113) 20.865 3.401 ( 20.747 6.399 6.077) 22.546 3.470 ( 16.142 1.455 -3.059) 16.494 3.600 ( 9.625 0.309 1.618) 9.765 3.812 ( 17.827 -5.842 -9.119) 20.858 3.911 ( 0.301 2.427 -4.452) 5.079 4.022 ( 9.888 6.817 -7.171) 13.988 4.594 ( 6.685 -9.946 9.057) 15.021 4.782 ( -3.851 -7.611 -0.638) 8.553 5.487 ( -9.305 3.896 7.251) 12.424 5.816 ( -10.835 5.762 -4.855) 13.197 7.362 ( -1.534 -1.173 2.641) 3.272 7.599 ( 1.611 0.092 -4.567) 4.844 8.171 ( 16.007 0.900 0.778) 16.051 8.373 ( 17.689 1.314 -9.066) 19.920 8.496 ( 16.956 8.783 4.947) 19.726 8.781 ( 24.236 8.154 -1.261) 25.602 9.124 ( 21.813 -9.518 5.594) 24.448 9.502 ( 6.270 -0.386 -11.425) 13.038 10.102 ( -9.032 3.629 7.451) 12.258 10.137 ( 5.906 9.864 12.985) 17.344 10.495 ( -7.611 8.250 -3.606) 11.790 10.749 ( -4.701 4.667 -5.061) 8.336 11.245 ( -8.283 -5.193 0.996) 9.826 11.674 ( -12.026 -5.419 -7.876) 15.363 11.717 ( 0.514 -2.191 9.670) 9.929 12.433 ( -7.538 0.927 7.369) 10.582 12.464 ( 3.741 1.589 -12.866) 13.493 12.715 ( 2.774 -3.309 -0.591) 4.358 13.555 ( -17.808 -0.922 4.543) 18.401 13.790 ( -19.306 -3.427 -5.778) 20.441 15.528 ( -5.975 1.740 0.051) 6.224 15.796 ( 1.479 2.455 -15.317) 15.582 16.965 ( -11.708 1.139 19.354) 22.649 17.441 ( -9.226 2.542 -3.260) 10.110 ======================= Grid point 269 (78/219) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 15.506 -4.308 4.258) 16.648 2.040 ( 10.376 -8.276 5.931) 14.537 2.362 ( 13.413 4.136 -8.923) 16.632 2.756 ( 7.730 -10.106 -14.703) 19.443 2.800 ( 3.497 10.092 8.921) 13.916 3.140 ( -0.567 6.378 -5.624) 8.522 3.420 ( 4.159 7.019 2.063) 8.416 3.543 ( 4.694 9.356 1.770) 10.616 3.636 ( 11.876 2.923 6.088) 13.662 3.801 ( 14.114 7.390 -4.394) 16.527 3.958 ( 25.191 -1.784 6.436) 26.062 4.022 ( 15.864 -7.341 0.756) 17.496 4.125 ( 15.264 -6.380 -2.180) 16.687 4.414 ( 21.489 -5.313 -7.879) 23.497 4.768 ( 0.530 -6.721 3.807) 7.743 4.851 ( 13.830 -7.275 -0.684) 15.642 5.309 ( -5.731 3.795 6.240) 9.283 5.583 ( -10.064 4.530 -3.986) 11.734 7.324 ( -3.499 -2.798 4.105) 6.076 7.593 ( -2.121 -0.966 -4.907) 5.432 8.452 ( 13.085 -2.891 2.478) 13.627 8.657 ( 16.256 7.709 -3.665) 18.361 8.776 ( 17.351 4.952 -1.103) 18.078 9.085 ( 13.713 10.178 -3.174) 17.370 9.506 ( 15.480 -2.445 5.928) 16.756 9.618 ( 5.980 1.491 -3.270) 6.976 9.934 ( -5.338 4.160 1.698) 6.978 10.217 ( 7.263 11.335 3.329) 13.868 10.348 ( -0.875 5.336 2.202) 5.838 10.660 ( -3.113 3.978 4.282) 6.622 11.136 ( -5.483 -2.291 -6.532) 8.831 11.445 ( -15.770 -9.995 -8.642) 20.574 11.794 ( 2.900 -1.925 15.470) 15.857 12.165 ( -14.881 4.923 13.395) 20.618 12.532 ( -0.127 1.707 -16.263) 16.353 12.786 ( 1.851 -2.560 -9.090) 9.623 13.228 ( -16.506 1.429 6.544) 17.814 13.425 ( -20.218 -5.423 -2.017) 21.030 15.413 ( -5.305 1.485 1.808) 5.798 15.773 ( -1.775 3.502 -15.902) 16.380 16.767 ( -9.219 0.533 17.632) 19.904 17.262 ( -8.401 2.884 -4.546) 9.978 ======================= Grid point 270 (79/219) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 10.456 -4.594 1.951) 11.586 2.212 ( 5.114 -3.980 0.833) 6.533 2.579 ( 10.684 3.070 -3.171) 11.560 2.762 ( -0.893 4.411 0.318) 4.511 2.970 ( 9.044 -4.041 -4.998) 11.095 3.073 ( -0.622 6.406 -6.968) 9.486 3.387 ( -0.773 7.193 2.515) 7.660 3.501 ( -1.145 7.996 -1.211) 8.167 3.811 ( 6.038 -2.870 8.696) 10.969 3.984 ( 9.524 8.607 -1.988) 12.990 4.219 ( 7.102 -1.464 -0.032) 7.252 4.378 ( 4.449 -10.305 -3.496) 11.756 4.507 ( 24.227 0.063 4.675) 24.674 4.695 ( 11.012 1.718 -1.671) 11.270 4.873 ( 1.632 -9.128 5.240) 10.651 5.119 ( 7.694 -3.299 -5.450) 9.990 5.343 ( 10.975 1.233 3.616) 11.621 5.499 ( 8.158 -2.062 -2.542) 8.790 7.271 ( -4.350 -4.485 4.738) 7.841 7.545 ( -3.482 -1.756 -4.777) 6.167 8.671 ( 8.802 -0.225 3.565) 9.499 8.914 ( 15.942 7.090 -3.621) 17.819 9.076 ( 16.997 3.562 -3.654) 17.746 9.154 ( 2.526 14.328 -3.302) 14.919 9.592 ( -4.397 6.168 0.835) 7.621 9.798 ( 13.608 3.499 6.228) 15.369 9.887 ( 2.870 1.248 -1.106) 3.319 10.355 ( 13.592 4.793 -6.910) 15.983 10.398 ( 7.947 6.507 11.982) 15.782 10.594 ( -2.383 -1.580 9.029) 9.471 11.056 ( -3.462 2.377 -9.937) 10.788 11.239 ( -12.458 -11.694 -7.638) 18.716 11.708 ( -13.391 3.852 11.846) 18.289 11.925 ( -7.850 -1.228 15.553) 17.465 12.354 ( -17.905 5.682 -14.796) 23.913 12.724 ( -12.060 -4.358 -16.256) 20.705 13.035 ( -0.726 0.647 7.559) 7.621 13.173 ( -9.181 -1.870 3.381) 9.960 15.309 ( -5.250 1.314 2.684) 6.041 15.709 ( -2.422 3.507 -16.051) 16.608 16.615 ( -6.953 0.036 16.619) 18.015 17.099 ( -7.273 2.631 -4.854) 9.131 ======================= Grid point 271 (80/219) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 6.072 -3.734 0.618) 7.155 2.294 ( 2.141 -2.428 0.369) 3.258 2.672 ( 1.745 6.772 -1.389) 7.130 2.720 ( -0.967 1.776 -2.110) 2.922 3.059 ( 3.036 2.223 -1.463) 4.037 3.167 ( 8.075 -0.520 -5.486) 9.776 3.353 ( 1.486 4.665 2.415) 5.460 3.466 ( 1.462 1.947 -3.241) 4.054 3.892 ( 0.920 -3.009 7.216) 7.872 4.018 ( -0.108 10.405 -0.723) 10.431 4.249 ( -2.547 2.698 0.427) 3.735 4.415 ( -3.266 -7.250 -3.241) 8.587 4.872 ( 12.270 -5.455 1.983) 13.574 4.898 ( 9.400 -3.230 1.062) 9.996 4.959 ( 7.510 0.216 3.789) 8.414 5.141 ( -0.464 2.428 -2.807) 3.740 5.652 ( 17.643 -2.811 1.903) 17.967 5.817 ( 17.221 -5.541 -3.452) 18.417 7.216 ( -4.324 -5.037 5.158) 8.406 7.491 ( -3.308 -1.925 -4.501) 5.908 8.736 ( -0.137 8.452 2.393) 8.785 9.019 ( -3.022 7.020 -8.140) 11.166 9.225 ( 16.221 6.725 1.158) 17.598 9.366 ( 14.714 5.468 -4.446) 16.314 9.486 ( 0.835 6.054 5.742) 8.386 9.937 ( 7.171 4.521 -10.041) 13.141 10.024 ( 6.625 -4.593 17.083) 18.889 10.497 ( 7.308 4.765 7.254) 11.346 10.600 ( 8.011 1.359 -1.346) 8.236 10.674 ( 13.910 1.250 4.312) 14.616 10.950 ( -9.456 -1.673 -12.266) 15.577 11.130 ( -3.247 -4.960 -6.141) 8.536 11.399 ( -15.051 2.503 8.630) 17.529 11.782 ( -10.675 -3.272 15.568) 19.157 11.906 ( -22.444 6.020 -9.538) 25.119 12.461 ( -17.168 -3.306 -12.087) 21.255 13.054 ( -5.066 1.028 3.287) 6.125 13.085 ( 3.949 1.018 1.235) 4.261 15.197 ( -5.531 2.308 3.848) 7.122 15.657 ( -1.410 1.930 -16.807) 16.976 16.511 ( -4.306 -0.486 15.922) 16.501 16.969 ( -5.311 1.576 -4.561) 7.175 ======================= Grid point 272 (81/219) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.853 -1.286 0.336) 1.579 2.364 ( 2.605 -2.160 -0.913) 3.505 2.627 ( -0.994 4.411 0.643) 4.567 2.707 ( -0.368 0.896 -1.853) 2.091 3.084 ( 0.933 2.561 -0.282) 2.740 3.253 ( 1.220 0.971 -4.713) 4.964 3.435 ( 8.467 -1.567 2.259) 8.902 3.545 ( 5.944 -1.815 -4.356) 7.589 3.846 ( -6.173 6.562 1.960) 9.220 3.919 ( -3.853 3.307 0.140) 5.080 4.167 ( -3.602 0.457 3.821) 5.271 4.391 ( -2.383 -4.372 -3.097) 5.864 5.013 ( 2.600 -7.117 2.076) 7.856 5.076 ( 4.818 5.573 3.308) 8.076 5.089 ( 3.306 -10.397 0.644) 10.929 5.160 ( 6.606 9.064 -1.815) 11.362 5.936 ( 10.338 -2.209 1.593) 10.690 6.109 ( 10.434 -3.418 -3.937) 11.664 7.171 ( -2.993 -3.410 5.619) 7.222 7.449 ( -2.026 -1.233 -4.234) 4.853 8.624 ( -4.337 7.592 3.683) 9.488 8.924 ( -2.422 5.481 -7.406) 9.527 9.394 ( 2.984 1.756 3.479) 4.908 9.555 ( 12.945 2.567 -5.233) 14.197 9.633 ( 10.609 5.075 7.070) 13.722 10.060 ( 8.157 2.164 -8.153) 11.735 10.167 ( 6.580 -5.358 12.120) 14.795 10.589 ( 3.853 2.549 3.044) 5.532 10.704 ( -15.602 -1.531 -6.601) 17.010 10.745 ( 7.295 -0.063 -2.821) 7.822 10.878 ( 7.178 5.081 3.305) 9.395 11.141 ( -8.032 1.717 2.204) 8.504 11.187 ( -0.496 -4.473 -2.676) 5.236 11.503 ( -11.713 -1.127 -1.837) 11.910 11.664 ( -4.470 1.104 8.752) 9.889 12.148 ( -16.922 -0.418 -7.937) 18.696 12.963 ( -3.591 1.412 3.585) 5.267 13.136 ( 1.907 0.697 -2.653) 3.341 15.093 ( -3.758 2.107 5.461) 6.956 15.632 ( -0.659 0.576 -17.924) 17.945 16.458 ( -1.805 -0.536 15.451) 15.566 16.888 ( -2.689 0.486 -4.118) 4.942 ======================= Grid point 273 (82/219) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.000 -0.000 0.127) 0.127 2.392 ( 0.000 -0.000 -1.993) 1.993 2.608 ( 0.000 -0.000 2.088) 2.088 2.699 ( 0.000 0.000 -1.068) 1.068 3.082 ( 0.000 -0.000 -0.265) 0.265 3.255 ( 0.000 -0.000 -4.185) 4.185 3.606 ( -0.000 0.000 -1.127) 1.127 3.623 ( 0.000 -0.000 -2.639) 2.639 3.685 ( 0.000 -0.000 2.557) 2.557 3.856 ( 0.000 -0.000 -2.636) 2.636 4.134 ( 0.000 -0.000 6.216) 6.216 4.381 ( 0.000 -0.000 -3.000) 3.000 5.061 ( 0.000 -0.000 2.006) 2.006 5.087 ( 0.000 0.000 2.940) 2.940 5.155 ( -0.000 -0.000 1.038) 1.038 5.208 ( 0.000 0.000 -1.642) 1.642 6.040 ( 0.000 -0.000 1.549) 1.549 6.219 ( 0.000 -0.000 -4.160) 4.160 7.151 ( 0.000 -0.000 5.890) 5.890 7.433 ( 0.000 -0.000 -4.119) 4.119 8.555 ( 0.000 -0.000 4.755) 4.755 8.884 ( 0.000 -0.000 -7.311) 7.311 9.413 ( 0.000 -0.000 4.095) 4.095 9.689 ( 0.000 0.000 -6.471) 6.471 9.718 ( 0.000 -0.000 9.197) 9.197 10.175 ( 0.000 -0.000 -6.832) 6.832 10.282 ( 0.000 -0.000 4.796) 4.796 10.487 ( 0.000 -0.000 -4.663) 4.663 10.614 ( 0.000 -0.000 1.459) 1.459 10.822 ( 0.000 -0.000 -6.171) 6.171 10.918 ( 0.000 -0.000 9.614) 9.614 11.033 ( 0.000 0.000 1.969) 1.969 11.168 ( 0.000 -0.000 2.791) 2.791 11.441 ( 0.000 -0.000 -4.388) 4.388 11.681 ( 0.000 -0.000 3.582) 3.582 11.926 ( 0.000 -0.000 -4.768) 4.768 12.922 ( 0.000 -0.000 3.862) 3.862 13.151 ( 0.000 -0.000 -4.043) 4.043 15.050 ( 0.000 -0.000 6.244) 6.244 15.624 ( 0.000 -0.000 -18.402) 18.402 16.444 ( 0.000 -0.000 15.253) 15.253 16.862 ( 0.000 -0.000 -3.920) 3.920 ======================= Grid point 283 (83/219) ======================= q-point: ( 0.06 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 22.134 0.000 16.167) 27.410 1.190 ( 15.437 0.000 21.968) 26.850 2.021 ( 10.906 0.000 -14.686) 18.293 2.070 ( 23.938 0.000 -13.095) 27.286 2.206 ( 45.277 0.000 12.928) 47.087 2.668 ( 18.334 0.000 2.797) 18.546 2.891 ( 16.042 0.000 -1.388) 16.102 2.972 ( 19.820 0.000 -0.015) 19.820 3.001 ( 22.603 0.000 -0.666) 22.613 3.185 ( 7.087 0.000 9.621) 11.949 3.352 ( 17.333 0.000 -26.830) 31.941 3.589 ( -1.063 -0.000 -3.078) 3.256 4.012 ( -3.800 -0.000 2.386) 4.487 4.158 ( -3.126 -0.000 -4.846) 5.767 4.406 ( 1.335 0.000 14.354) 14.416 4.760 ( -3.579 -0.000 -2.686) 4.475 5.684 ( -7.515 -0.000 8.225) 11.141 6.057 ( -8.549 -0.000 -5.716) 10.284 7.350 ( 3.978 0.000 -0.844) 4.067 7.548 ( 4.669 0.000 -4.420) 6.430 7.931 ( 12.778 0.000 -0.498) 12.788 8.038 ( 17.942 0.000 -6.239) 18.996 8.043 ( 46.633 0.000 6.408) 47.071 8.472 ( 13.695 0.000 12.861) 18.788 8.543 ( 24.034 0.000 -20.435) 31.547 9.303 ( 13.049 0.000 -22.372) 25.899 10.137 ( 2.915 0.000 14.473) 14.764 10.423 ( -19.913 -0.000 19.148) 27.626 10.676 ( -2.047 -0.000 -7.765) 8.030 10.929 ( -10.538 -0.000 -4.652) 11.519 11.347 ( -6.180 -0.000 6.585) 9.030 11.797 ( -11.715 -0.000 2.759) 12.036 11.809 ( -7.741 -0.000 -11.941) 14.231 12.275 ( 8.356 0.000 -17.663) 19.540 12.616 ( 3.190 0.000 5.296) 6.182 12.622 ( -3.297 -0.000 7.033) 7.767 13.851 ( -15.309 -0.000 2.506) 15.513 14.048 ( -10.523 -0.000 -4.821) 11.575 15.644 ( -4.724 -0.000 -2.247) 5.231 15.746 ( 5.991 0.000 -13.493) 14.763 17.249 ( -17.692 -0.000 22.760) 28.827 17.640 ( -9.360 -0.000 -0.791) 9.393 ======================= Grid point 284 (84/219) ======================= q-point: ( 0.12 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 17.604 2.206 12.840) 21.901 1.601 ( 19.859 -7.880 11.907) 24.459 2.225 ( 12.525 5.003 -13.659) 19.196 2.412 ( 12.055 -6.213 -18.212) 22.707 2.866 ( 14.674 9.200 11.505) 20.792 3.029 ( 15.378 -9.193 7.179) 19.301 3.150 ( 25.239 3.688 -1.858) 25.574 3.349 ( 21.068 3.079 0.477) 21.297 3.436 ( 21.806 -0.884 0.988) 21.846 3.483 ( 22.202 1.724 1.602) 22.326 3.603 ( 3.964 0.054 0.963) 4.080 3.733 ( 18.673 -4.966 -16.561) 25.449 3.944 ( -1.439 2.484 1.233) 3.124 4.108 ( 2.653 5.140 -5.487) 7.973 4.506 ( 8.367 -4.593 9.372) 13.377 4.713 ( -2.500 -3.795 -0.905) 4.634 5.517 ( -9.622 1.353 7.529) 12.293 5.860 ( -11.599 2.026 -5.149) 12.851 7.353 ( -2.028 -0.428 2.851) 3.525 7.600 ( 0.959 0.083 -4.656) 4.754 8.173 ( 13.625 -0.110 0.791) 13.648 8.380 ( 18.097 0.153 -10.468) 20.907 8.582 ( 16.572 4.777 5.512) 18.106 8.874 ( 22.189 7.739 -1.325) 23.537 9.017 ( 28.661 -8.631 6.678) 30.669 9.495 ( 7.175 -0.531 -13.666) 15.444 10.124 ( -11.524 0.770 10.272) 15.457 10.223 ( 6.975 4.241 14.657) 16.777 10.557 ( -9.799 2.723 -6.196) 11.909 10.790 ( -3.077 2.151 -4.611) 5.946 11.203 ( -8.204 -1.995 -0.385) 8.451 11.614 ( -14.133 -3.268 -10.682) 18.015 11.713 ( 1.630 0.141 12.227) 12.336 12.423 ( 2.195 -0.854 -7.881) 8.226 12.501 ( -4.447 2.557 -0.137) 5.131 12.682 ( 3.338 -1.953 2.235) 4.467 13.549 ( -16.462 -0.182 4.587) 17.090 13.762 ( -20.160 -1.339 -5.573) 20.959 15.541 ( -5.993 0.597 0.088) 6.024 15.813 ( 1.490 0.694 -16.085) 16.169 16.975 ( -12.181 0.533 20.074) 23.487 17.461 ( -9.339 0.884 -3.446) 9.994 ======================= Grid point 285 (85/219) ======================= q-point: ( 0.19 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 15.217 -1.608 6.510) 16.629 1.959 ( 13.970 -5.414 6.572) 16.360 2.424 ( 12.631 6.519 -11.399) 18.221 2.642 ( 8.452 -9.573 -15.961) 20.441 2.910 ( 1.730 8.818 9.155) 12.828 3.162 ( 0.079 -1.906 -0.295) 1.931 3.512 ( 6.868 8.519 -1.299) 11.019 3.619 ( 6.714 3.872 3.151) 8.367 3.685 ( 8.453 5.569 5.129) 11.348 3.855 ( 17.349 1.255 -3.067) 17.662 3.910 ( 7.765 -5.752 -4.325) 10.587 3.989 ( 29.753 0.649 7.297) 30.642 4.045 ( 12.421 -6.282 -2.832) 14.204 4.385 ( 22.785 -0.594 -4.039) 23.148 4.707 ( 2.471 -3.354 2.597) 4.909 4.772 ( 13.444 -6.393 -1.118) 14.929 5.342 ( -6.431 2.049 6.274) 9.216 5.623 ( -11.612 2.519 -4.169) 12.592 7.299 ( -4.105 -1.561 4.385) 6.207 7.584 ( -2.464 -0.489 -5.236) 5.807 8.425 ( 12.660 -1.682 2.825) 13.080 8.695 ( 15.904 0.723 -10.651) 19.155 8.856 ( 17.178 6.911 4.876) 19.148 9.189 ( 15.195 7.509 -0.362) 16.953 9.471 ( 16.332 -3.262 5.481) 17.533 9.625 ( 7.911 0.018 -4.381) 9.043 9.967 ( -4.711 1.681 1.742) 5.296 10.330 ( 5.923 8.076 5.559) 11.455 10.395 ( -2.100 2.551 -0.193) 3.310 10.700 ( -5.729 2.733 6.229) 8.893 11.117 ( -2.334 -0.954 -9.841) 10.159 11.341 ( -17.475 -7.669 -8.159) 20.755 11.780 ( 3.163 -0.701 15.898) 16.224 12.211 ( -15.522 2.947 12.552) 20.179 12.553 ( 1.868 1.815 -17.972) 18.160 12.757 ( 2.093 -2.313 -6.296) 7.026 13.253 ( -15.335 2.934 5.417) 16.526 13.365 ( -20.730 -4.998 -0.865) 21.342 15.425 ( -5.807 0.719 1.912) 6.155 15.800 ( -1.952 1.449 -16.887) 17.061 16.774 ( -9.332 0.571 18.432) 20.668 17.287 ( -8.602 1.557 -4.857) 10.000 ======================= Grid point 286 (86/219) ======================= q-point: ( 0.25 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 10.717 -3.090 2.619) 11.456 2.175 ( 7.153 -2.577 1.355) 7.723 2.620 ( 10.967 4.160 -5.843) 13.104 2.781 ( 0.279 -1.814 -5.823) 6.106 2.947 ( 8.148 0.751 0.931) 8.235 3.128 ( -1.860 2.909 -5.331) 6.351 3.473 ( -1.896 7.753 1.590) 8.138 3.602 ( -3.237 9.380 -1.573) 10.047 3.763 ( 3.671 -4.919 10.974) 12.573 4.058 ( 9.067 3.945 -3.508) 10.492 4.206 ( 11.217 -4.103 -2.137) 12.133 4.267 ( 8.483 -5.363 -3.003) 10.476 4.519 ( 21.619 2.068 6.797) 22.757 4.717 ( 12.590 1.311 -0.314) 12.662 4.769 ( 0.842 -8.296 5.501) 9.990 5.087 ( 14.285 -2.491 -7.404) 16.281 5.357 ( 9.393 1.114 3.155) 9.971 5.479 ( 1.538 -1.427 -1.975) 2.881 7.228 ( -4.746 -3.039 5.199) 7.668 7.529 ( -3.672 -1.176 -5.293) 6.548 8.658 ( 11.207 -1.465 3.452) 11.818 8.952 ( 11.416 0.594 -9.244) 14.701 9.143 ( 17.422 7.118 1.121) 18.853 9.310 ( 5.463 12.434 -0.939) 13.613 9.635 ( -1.075 1.034 2.553) 2.957 9.814 ( 11.708 0.427 10.468) 15.712 9.929 ( 3.052 4.964 -7.289) 9.332 10.390 ( 9.066 1.881 -6.868) 11.529 10.473 ( 8.576 5.999 11.169) 15.306 10.586 ( -4.133 0.371 7.627) 8.683 11.065 ( -6.818 -2.908 -10.772) 13.076 11.122 ( -7.707 -6.462 -5.805) 11.613 11.748 ( -9.377 3.085 13.834) 16.995 11.910 ( -12.840 -1.336 13.640) 18.781 12.426 ( -15.952 6.810 -15.075) 22.980 12.666 ( -14.289 -5.918 -15.784) 22.098 13.047 ( -0.414 1.215 6.670) 6.792 13.151 ( -6.742 -1.849 4.260) 8.186 15.321 ( -4.965 0.818 2.941) 5.829 15.738 ( -3.245 1.785 -16.758) 17.162 16.618 ( -7.177 0.410 17.343) 18.774 17.124 ( -7.827 1.751 -5.246) 9.584 ======================= Grid point 287 (87/219) ======================= q-point: ( 0.31 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 6.536 -3.421 0.702) 7.411 2.276 ( 3.205 -0.992 -0.101) 3.356 2.733 ( 2.254 3.272 -2.655) 4.779 2.747 ( -1.479 3.392 -0.998) 3.833 3.084 ( 3.384 2.021 -2.296) 4.561 3.156 ( 7.761 -1.125 -7.152) 10.614 3.407 ( -0.773 4.772 2.188) 5.307 3.505 ( -1.681 4.556 -0.820) 4.925 3.845 ( 2.124 -4.310 9.376) 10.535 4.114 ( -0.546 5.103 -3.163) 6.028 4.302 ( -0.860 5.217 -0.508) 5.312 4.347 ( -1.496 -2.368 -1.174) 3.037 4.747 ( 4.770 -13.177 1.581) 14.103 4.819 ( 2.760 -8.708 -0.410) 9.144 5.003 ( 14.537 4.479 5.817) 16.285 5.231 ( 7.997 11.093 -2.764) 13.952 5.620 ( 16.711 -2.748 0.769) 16.953 5.742 ( 16.551 -7.655 -2.998) 18.481 7.165 ( -3.834 -3.855 5.741) 7.907 7.471 ( -3.085 -1.501 -5.078) 6.128 8.809 ( 3.354 4.705 0.907) 5.848 9.050 ( -1.901 -0.561 -8.859) 9.078 9.321 ( 9.811 9.748 2.963) 14.144 9.452 ( 14.025 8.517 -2.084) 16.540 9.553 ( 0.180 5.441 4.740) 7.218 9.936 ( 2.972 -4.843 4.971) 7.550 10.030 ( 7.838 6.108 2.077) 10.152 10.542 ( 6.441 2.605 5.627) 8.941 10.597 ( 5.665 -0.216 3.311) 6.565 10.690 ( 15.457 -0.578 -5.395) 16.382 10.922 ( -9.740 -2.229 -8.038) 12.824 11.088 ( 0.286 -2.519 -5.356) 5.925 11.436 ( -17.328 4.002 9.987) 20.397 11.732 ( -12.523 -5.353 14.875) 20.168 11.979 ( -22.036 6.672 -8.933) 24.696 12.419 ( -15.490 -4.108 -12.121) 20.094 13.064 ( -3.963 0.771 3.263) 5.191 13.096 ( 3.557 0.811 0.840) 3.743 15.225 ( -4.505 2.440 3.724) 6.334 15.674 ( -2.521 1.125 -16.730) 16.956 16.506 ( -4.696 -0.360 16.375) 17.039 16.983 ( -6.220 1.043 -4.945) 8.014 ======================= Grid point 288 (88/219) ======================= q-point: ( 0.38 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.331 -0.964 0.221) 1.658 2.338 ( 3.698 -2.231 -0.367) 4.334 2.680 ( -2.724 4.097 -0.643) 4.962 2.723 ( -0.685 2.254 -1.792) 2.960 3.121 ( 1.518 3.613 -1.270) 4.120 3.257 ( 1.273 -0.162 -5.171) 5.328 3.421 ( 4.456 -0.748 2.657) 5.242 3.527 ( 4.734 -1.489 -2.585) 5.595 3.871 ( -1.927 -0.046 4.721) 5.100 3.988 ( -7.759 6.906 -1.647) 10.517 4.192 ( -4.649 3.716 2.450) 6.436 4.343 ( -0.229 -3.801 -2.080) 4.339 4.897 ( 2.038 -15.077 -0.169) 15.215 4.920 ( 1.280 -10.564 -1.369) 10.729 5.158 ( 6.445 7.345 6.946) 11.989 5.335 ( 10.171 16.349 -1.405) 19.306 5.905 ( 10.815 -3.155 0.755) 11.291 6.052 ( 11.115 -6.624 -3.818) 13.490 7.135 ( -1.304 -2.812 6.063) 6.810 7.436 ( -1.405 -1.067 -4.645) 4.969 8.709 ( -7.279 7.265 2.189) 10.515 8.967 ( -5.148 1.928 -8.103) 9.792 9.421 ( 2.574 3.060 6.199) 7.376 9.574 ( 8.846 1.752 -0.459) 9.030 9.699 ( 9.322 5.559 3.225) 11.323 10.065 ( 8.756 -2.581 -3.071) 9.631 10.132 ( 6.821 0.854 6.077) 9.176 10.593 ( -4.026 -2.766 -3.808) 6.193 10.681 ( -5.207 0.027 -2.836) 5.929 10.770 ( 4.895 3.060 -1.324) 5.923 10.933 ( 6.806 4.498 1.017) 8.221 11.129 ( -6.762 -4.755 2.754) 8.713 11.166 ( -1.763 2.157 0.806) 2.900 11.477 ( -11.373 -3.814 2.541) 12.261 11.685 ( -7.014 2.781 4.460) 8.764 12.138 ( -15.870 -1.375 -8.372) 17.995 12.983 ( -3.492 2.093 3.281) 5.229 13.140 ( 1.291 -0.016 -2.482) 2.797 15.130 ( -3.338 4.158 4.901) 7.242 15.636 ( -1.266 0.139 -17.336) 17.383 16.449 ( -2.025 -1.124 15.586) 15.757 16.889 ( -3.490 -0.193 -4.360) 5.588 ======================= Grid point 289 (89/219) ======================= q-point: ( 0.44 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.575 -0.680 0.218) 0.917 2.391 ( 1.003 -0.227 -1.823) 2.093 2.620 ( -1.480 2.067 1.629) 3.020 2.701 ( -0.705 0.501 -0.954) 1.288 3.100 ( -1.049 2.940 -0.163) 3.126 3.252 ( -0.906 -0.448 -4.235) 4.353 3.553 ( 5.785 -6.691 1.145) 8.919 3.620 ( 1.401 -1.397 -3.659) 4.160 3.719 ( -10.225 4.526 1.659) 11.304 3.863 ( -1.945 1.111 -3.187) 3.896 4.146 ( 1.127 2.109 6.399) 6.831 4.379 ( 2.668 -0.294 -2.521) 3.683 4.969 ( -3.164 -14.243 0.104) 14.591 4.982 ( -1.159 -10.220 -1.018) 10.336 5.187 ( 1.740 8.365 6.896) 10.980 5.380 ( 4.522 17.418 -1.797) 18.084 6.031 ( 0.964 -1.575 1.215) 2.211 6.199 ( 1.083 -3.578 -4.087) 5.539 7.152 ( 2.292 0.175 5.859) 6.294 7.433 ( 0.777 -0.018 -4.122) 4.194 8.562 ( -4.638 1.089 4.434) 6.509 8.874 ( -4.033 -1.697 -7.248) 8.467 9.423 ( -0.621 1.619 4.014) 4.373 9.650 ( -3.856 -4.865 1.929) 6.501 9.745 ( -1.972 2.623 1.006) 3.432 10.171 ( -2.842 -0.669 -7.234) 7.801 10.287 ( 5.393 0.752 4.874) 7.308 10.492 ( 3.353 0.878 -4.403) 5.604 10.614 ( -2.538 -0.072 1.601) 3.002 10.824 ( -0.047 0.264 -5.807) 5.814 10.916 ( -2.835 -0.284 9.160) 9.593 11.025 ( -6.651 -1.307 1.819) 7.018 11.170 ( 6.173 0.272 3.372) 7.039 11.456 ( 1.349 2.467 -3.911) 4.817 11.673 ( 1.336 -1.322 3.301) 3.798 11.918 ( -2.092 -1.428 -5.194) 5.779 12.930 ( -0.619 1.398 3.669) 3.974 13.147 ( -0.697 -0.767 -3.792) 3.930 15.071 ( -0.340 3.495 5.801) 6.781 15.622 ( -0.400 -0.407 -17.997) 18.006 16.438 ( 0.094 -0.997 15.199) 15.232 16.856 ( -0.511 -0.974 -3.934) 4.085 ======================= Grid point 290 (90/219) ======================= q-point: (-0.50 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -0.078 0.860 -0.174) 0.881 2.382 ( -1.464 1.116 -1.951) 2.683 2.595 ( -1.051 -0.974 2.651) 3.014 2.697 ( -0.039 -1.085 -0.742) 1.315 3.067 ( -1.540 -0.353 0.242) 1.598 3.237 ( -1.727 -1.772 -4.480) 5.118 3.456 ( -11.280 2.236 1.265) 11.569 3.568 ( -5.357 2.002 -5.506) 7.939 3.739 ( 5.046 -10.859 2.057) 12.149 3.897 ( 3.168 -1.830 -2.618) 4.499 4.183 ( 4.050 3.121 6.504) 8.273 4.437 ( 4.351 3.655 -2.910) 6.385 4.956 ( -7.392 -14.798 0.740) 16.558 4.973 ( -5.378 -8.311 -0.434) 9.909 5.133 ( -1.956 8.962 5.823) 10.866 5.310 ( -0.834 17.494 -2.027) 17.630 5.953 ( -9.510 0.822 1.726) 9.700 6.129 ( -9.413 0.100 -3.919) 10.196 7.210 ( 4.749 3.516 5.102) 7.807 7.463 ( 2.673 1.179 -3.790) 4.785 8.541 ( 0.417 -6.916 4.422) 8.219 8.849 ( -1.409 -7.509 -6.687) 10.154 9.381 ( -4.172 -0.510 1.084) 4.340 9.490 ( -14.843 -8.225 -1.658) 17.051 9.615 ( -10.196 1.390 3.349) 10.821 10.036 ( -8.995 -1.877 -7.755) 12.024 10.228 ( -5.721 5.192 11.773) 14.081 10.554 ( -6.258 -3.249 4.058) 8.135 10.688 ( 4.388 -2.531 -2.380) 5.597 10.783 ( 4.572 4.400 -6.311) 8.950 10.822 ( -7.991 -4.386 5.518) 10.656 11.118 ( 10.266 -2.285 -2.516) 10.814 11.236 ( 0.493 4.265 -0.993) 4.406 11.513 ( 9.684 1.152 -3.698) 10.429 11.652 ( 3.501 -1.450 10.570) 11.228 12.145 ( 18.032 -1.018 -7.999) 19.753 12.952 ( 3.159 -0.426 3.602) 4.810 13.125 ( -2.335 -1.305 -2.503) 3.663 15.086 ( 3.392 0.957 5.367) 6.421 15.622 ( -0.124 -1.155 -17.811) 17.848 16.460 ( 1.995 -0.123 15.162) 15.293 16.878 ( 2.089 -1.295 -3.877) 4.591 ======================= Grid point 291 (91/219) ======================= q-point: (-0.44 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -4.193 3.306 -0.297) 5.348 2.330 ( -2.069 3.096 -0.287) 3.735 2.597 ( -1.216 -5.773 1.171) 6.015 2.700 ( -0.681 -1.908 -1.222) 2.366 3.035 ( -3.042 -1.858 -0.390) 3.586 3.166 ( -7.634 -0.537 -4.013) 8.641 3.303 ( -3.955 -3.996 2.432) 6.126 3.466 ( -3.384 1.926 -6.607) 7.669 3.860 ( 0.154 -10.723 1.377) 10.813 3.933 ( -1.323 -2.423 0.907) 2.906 4.251 ( 4.274 2.845 4.339) 6.723 4.490 ( 3.928 5.801 -3.204) 7.704 4.826 ( -14.377 -8.919 1.566) 16.992 4.873 ( -10.456 -5.511 -0.630) 11.836 5.033 ( -2.736 8.645 5.087) 10.397 5.205 ( 0.401 11.582 -2.518) 11.860 5.682 ( -17.947 2.425 2.378) 18.266 5.866 ( -17.143 3.055 -3.661) 17.793 7.276 ( 4.862 5.465 4.464) 8.569 7.514 ( 3.581 2.029 -3.825) 5.618 8.620 ( 0.685 -11.739 3.557) 12.285 8.901 ( 0.492 -12.598 -5.952) 13.942 9.156 ( -18.964 -6.058 -0.093) 19.908 9.335 ( -11.848 -1.270 -9.533) 15.260 9.432 ( -2.830 -2.476 7.996) 8.836 9.883 ( -9.465 -4.688 -8.169) 13.353 10.080 ( -7.514 4.775 14.348) 16.885 10.441 ( -7.698 -5.015 8.197) 12.313 10.552 ( -14.312 -6.010 -2.382) 15.704 10.686 ( -5.702 2.567 8.265) 10.365 10.952 ( 3.868 -1.235 -11.969) 12.639 11.195 ( 9.196 6.321 -6.245) 12.787 11.380 ( 12.334 -0.830 5.880) 13.689 11.798 ( 8.917 -0.904 13.029) 15.814 11.854 ( 23.398 -2.728 -6.927) 24.554 12.491 ( 18.378 1.801 -12.443) 22.267 13.041 ( 5.625 -1.145 3.356) 6.650 13.073 ( -3.678 -1.055 1.606) 4.150 15.177 ( 5.754 -1.195 3.715) 6.952 15.630 ( -0.140 -2.864 -16.372) 16.621 16.517 ( 4.397 0.654 15.136) 15.775 16.948 ( 4.468 -2.011 -4.088) 6.381 ======================= Grid point 292 (92/219) ======================= q-point: (-0.38 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -9.493 5.707 0.827) 11.108 2.261 ( -3.731 4.234 -0.545) 5.670 2.549 ( -8.039 -2.438 0.404) 8.410 2.702 ( -1.590 -5.694 1.872) 6.201 2.992 ( -2.046 -4.552 -3.256) 5.959 3.020 ( -6.863 1.362 -7.207) 10.045 3.309 ( 0.096 -6.720 2.558) 7.191 3.429 ( -1.691 -4.285 -3.684) 5.898 3.820 ( -8.280 -1.916 3.041) 9.027 3.874 ( -9.307 -9.852 -0.748) 13.574 4.260 ( -2.116 5.502 4.229) 7.255 4.447 ( -12.700 1.163 1.073) 12.798 4.537 ( -15.544 5.645 -1.148) 16.577 4.680 ( -7.616 -0.977 -2.531) 8.085 4.968 ( -0.801 7.639 4.706) 9.008 5.165 ( -5.244 5.005 -3.760) 8.166 5.332 ( -13.890 -0.551 3.984) 14.460 5.523 ( -13.520 2.041 -3.106) 14.022 7.326 ( 3.786 5.226 4.151) 7.673 7.567 ( 3.293 2.102 -4.142) 5.694 8.636 ( -5.499 -7.931 4.023) 10.456 8.823 ( -19.615 -6.270 0.084) 20.593 8.967 ( -7.055 -15.374 -2.005) 17.034 9.087 ( -9.630 1.551 -10.533) 14.356 9.510 ( 5.185 -7.633 1.237) 9.310 9.736 ( -10.525 -6.667 -1.663) 12.570 9.897 ( -8.311 1.969 6.363) 10.651 10.280 ( -16.963 -7.835 -0.843) 18.704 10.335 ( -6.574 -5.005 7.647) 11.259 10.618 ( -0.604 2.512 8.065) 8.469 11.024 ( 4.796 -3.117 -7.228) 9.217 11.367 ( 12.830 10.771 -9.283) 19.152 11.665 ( 15.421 -3.526 10.812) 19.161 11.936 ( 5.681 0.659 16.102) 17.087 12.299 ( 19.275 -3.998 -14.589) 24.502 12.762 ( 9.960 2.247 -16.324) 19.254 13.034 ( 1.854 0.353 8.027) 8.246 13.192 ( 11.869 1.571 2.594) 12.250 15.292 ( 5.314 -1.657 2.217) 5.991 15.659 ( 0.948 -5.351 -14.732) 15.703 16.619 ( 6.924 0.763 15.306) 16.816 17.066 ( 6.596 -3.123 -4.270) 8.455 ======================= Grid point 293 (93/219) ======================= q-point: (-0.31 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -14.633 7.081 1.919) 16.369 2.132 ( -6.934 7.263 1.433) 10.143 2.338 ( -13.689 0.550 -2.040) 13.851 2.690 ( -4.380 -9.158 7.891) 12.857 2.864 ( -6.998 8.635 -12.544) 16.760 3.033 ( -1.010 -11.185 -6.937) 13.200 3.341 ( -2.696 -7.861 3.296) 8.940 3.427 ( -4.246 -10.343 1.794) 11.324 3.614 ( -13.337 -1.242 2.171) 13.569 3.695 ( -15.017 -10.917 -3.499) 18.892 3.986 ( -26.445 3.519 5.879) 27.318 4.120 ( -11.824 9.330 3.704) 15.510 4.181 ( -20.149 4.063 -2.301) 20.682 4.504 ( -16.998 9.859 -9.432) 21.796 4.840 ( -0.948 5.433 4.146) 6.900 4.936 ( -12.833 7.770 -0.285) 15.005 5.259 ( 4.527 -4.941 6.216) 9.140 5.524 ( 7.552 -5.632 -3.775) 10.149 7.360 ( 2.569 3.517 3.708) 5.720 7.606 ( 1.695 1.415 -4.508) 5.020 8.481 ( -17.446 -0.189 1.385) 17.502 8.532 ( -12.289 -10.426 3.923) 16.586 8.742 ( -16.674 -2.897 -5.810) 17.894 8.975 ( -12.042 -8.302 -6.356) 15.948 9.520 ( -13.817 -0.211 4.962) 14.683 9.587 ( -3.669 -3.984 -2.496) 5.964 9.873 ( 4.895 -6.419 2.206) 8.368 10.085 ( -9.211 -11.562 3.063) 15.097 10.280 ( -1.451 -6.510 3.275) 7.431 10.616 ( 0.077 -3.721 1.456) 3.996 11.164 ( 9.370 2.495 -1.930) 9.886 11.553 ( 13.011 8.760 -8.056) 17.633 11.825 ( -0.997 3.467 13.563) 14.035 12.108 ( 13.914 -4.825 14.139) 20.416 12.517 ( 2.909 -0.866 -15.276) 15.575 12.810 ( -1.482 1.714 -11.277) 11.502 13.222 ( 17.134 0.328 7.845) 18.847 13.486 ( 20.625 5.243 -3.291) 21.534 15.391 ( 4.552 -2.277 1.470) 5.298 15.719 ( 1.423 -6.099 -14.192) 15.513 16.765 ( 9.072 0.226 16.148) 18.523 17.224 ( 8.081 -3.779 -4.006) 9.779 ======================= Grid point 294 (94/219) ======================= q-point: (-0.25 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -18.262 7.814 4.034) 20.269 1.894 ( -12.228 15.074 12.330) 22.995 2.097 ( -12.153 -3.777 -13.272) 18.388 2.612 ( -12.515 7.089 -8.195) 16.554 2.631 ( -12.360 -8.224 5.150) 15.714 2.961 ( -17.313 -9.816 -4.770) 20.465 3.209 ( -15.560 -2.404 4.909) 16.492 3.310 ( -13.766 -0.182 2.668) 14.023 3.344 ( -25.101 -1.093 6.405) 25.928 3.429 ( -8.896 -5.668 -1.369) 10.637 3.595 ( -14.458 -1.045 1.256) 14.550 3.822 ( -16.567 -2.812 -2.274) 16.957 3.855 ( -7.588 -4.806 -1.854) 9.171 4.064 ( -18.087 11.737 -15.690) 26.666 4.714 ( -4.788 10.689 8.502) 14.473 4.870 ( 5.188 7.426 0.030) 9.059 5.431 ( 8.670 -6.013 6.651) 12.472 5.733 ( 9.397 -8.629 -4.404) 13.497 7.379 ( 0.677 1.660 2.292) 2.910 7.599 ( -2.623 0.185 -4.575) 5.277 8.135 ( -21.202 -6.191 2.037) 22.181 8.345 ( -13.055 -2.748 -1.762) 13.456 8.426 ( -18.680 -3.190 -2.202) 19.077 8.692 ( -22.244 -7.429 -2.252) 23.559 9.224 ( -16.240 7.800 4.770) 18.637 9.496 ( -5.173 -1.580 -8.119) 9.756 9.994 ( -7.704 -12.999 7.340) 16.799 10.057 ( 7.823 -6.401 6.927) 12.253 10.380 ( 5.272 -11.493 -0.188) 12.646 10.691 ( 6.142 -5.323 -5.323) 9.715 11.314 ( 8.385 6.685 2.871) 11.101 11.692 ( 2.002 -0.140 9.335) 9.548 11.797 ( 8.393 9.556 -6.967) 14.502 12.389 ( 11.206 -4.712 10.751) 16.228 12.486 ( -4.240 3.398 -13.639) 14.682 12.750 ( -2.412 2.828 -3.883) 5.375 13.572 ( 19.650 2.156 4.597) 20.295 13.835 ( 18.249 4.482 -6.052) 19.742 15.502 ( 5.929 -2.805 -0.147) 6.561 15.755 ( -1.385 -4.859 -13.890) 14.780 16.953 ( 11.048 -0.803 17.906) 21.056 17.405 ( 8.993 -3.850 -2.873) 10.195 ======================= Grid point 295 (95/219) ======================= q-point: (-0.19 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -18.592 8.138 8.332) 21.939 1.535 ( -15.896 17.798 16.972) 29.283 1.916 ( -10.911 -4.044 -16.930) 20.544 2.178 ( -26.667 2.869 -9.015) 28.295 2.289 ( -32.317 6.342 10.332) 34.516 2.605 ( -14.827 -2.641 1.070) 15.099 2.837 ( -20.216 -1.814 2.144) 20.410 2.978 ( -19.439 2.474 3.945) 19.989 3.052 ( -13.629 -7.576 9.816) 18.426 3.093 ( -21.987 4.223 -3.334) 22.636 3.488 ( -5.465 -1.479 -8.384) 10.116 3.562 ( -5.951 0.335 -10.206) 11.819 3.852 ( -2.352 -2.710 -7.554) 8.363 3.922 ( 2.348 -17.654 -4.748) 18.431 4.610 ( 0.124 13.119 13.640) 18.925 4.916 ( 4.617 9.398 -2.275) 10.716 5.616 ( 7.201 -5.831 7.456) 11.894 5.945 ( 7.524 -9.287 -4.796) 12.879 7.330 ( -9.141 -1.044 -2.193) 9.458 7.470 ( -13.717 -5.427 -4.238) 15.348 7.761 ( -24.250 -10.676 3.741) 26.759 8.000 ( -21.921 0.481 -6.413) 22.845 8.152 ( -16.382 -0.270 1.733) 16.476 8.255 ( -22.105 0.135 2.281) 22.223 8.890 ( -10.247 14.842 0.104) 18.036 9.404 ( -5.188 5.643 -17.348) 18.966 9.939 ( -5.088 -15.062 10.600) 19.108 10.266 ( 8.098 -14.435 3.021) 16.825 10.575 ( 10.631 -6.623 4.342) 13.257 10.881 ( 9.463 -4.542 -3.418) 11.039 11.374 ( 1.949 2.013 8.948) 9.376 11.821 ( 13.991 2.584 3.165) 14.576 11.920 ( 7.786 8.022 -13.346) 17.409 12.338 ( -6.989 4.634 -16.352) 18.377 12.558 ( 3.543 -1.562 8.933) 9.736 12.704 ( -0.946 3.676 2.202) 4.388 13.894 ( 16.046 3.614 1.960) 16.564 14.073 ( 8.982 2.153 -4.118) 10.113 15.617 ( 1.823 -2.733 -2.344) 4.036 15.728 ( -1.275 -1.723 -12.968) 13.144 17.192 ( 13.721 -3.450 20.933) 25.266 17.597 ( 9.109 -3.765 -0.552) 9.872 ======================= Grid point 296 (96/219) ======================= q-point: (-0.12 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -12.548 7.236 17.005) 22.338 1.067 ( -26.979 12.622 13.363) 32.646 1.580 ( -24.232 1.966 -8.079) 25.619 1.611 ( -21.675 22.686 29.003) 42.728 1.878 ( -5.977 -1.204 -20.495) 21.383 2.365 ( -12.265 -0.147 2.494) 12.517 2.526 ( -14.154 -3.102 -3.134) 14.825 2.637 ( -13.876 0.606 1.871) 14.014 2.712 ( -14.908 3.365 -1.540) 15.361 2.919 ( -6.280 -12.610 6.003) 15.313 3.351 ( -2.137 10.720 -21.074) 23.740 3.588 ( 1.879 -4.239 -2.950) 5.496 3.913 ( 2.831 -13.046 1.816) 13.472 4.069 ( 2.236 -16.854 -6.832) 18.323 4.553 ( 1.532 13.016 15.622) 20.391 4.930 ( 2.687 10.013 -3.557) 10.960 5.754 ( 4.333 -4.560 8.211) 10.344 6.106 ( 4.251 -8.091 -5.190) 10.511 6.846 ( -37.702 -0.482 -2.887) 37.815 7.012 ( -49.687 -20.903 -11.365) 55.090 7.495 ( -4.726 -1.116 5.495) 7.333 7.695 ( -7.406 6.144 -1.561) 9.748 7.799 ( -12.491 8.384 2.082) 15.187 8.011 ( -8.775 3.363 -2.985) 9.860 8.663 ( -4.870 21.992 -8.850) 24.201 9.223 ( -6.422 15.265 -24.668) 29.712 9.980 ( -0.505 -14.777 13.502) 20.023 10.491 ( 4.002 -20.038 -6.689) 21.501 10.880 ( 19.819 -1.223 10.637) 22.527 11.048 ( 5.130 -5.153 -0.046) 7.272 11.404 ( 1.264 -1.781 9.246) 9.500 11.964 ( 1.862 7.581 -15.625) 17.467 12.125 ( 17.548 2.899 -2.670) 17.985 12.229 ( 0.313 5.511 -9.447) 10.941 12.553 ( -3.323 0.873 4.988) 6.056 12.621 ( -7.922 3.898 1.659) 8.983 14.097 ( 5.993 0.991 0.417) 6.089 14.165 ( 3.889 1.904 -0.913) 4.425 15.525 ( -9.997 -5.209 0.184) 11.274 15.787 ( 4.868 5.057 -11.721) 13.662 17.520 ( 16.772 -12.132 21.817) 30.074 17.774 ( 7.587 -3.419 3.039) 8.859 ======================= Grid point 297 (97/219) ======================= q-point: (-0.06 0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 12.679 18.339) 22.295 0.652 ( 0.000 0.821 27.704) 27.717 1.276 ( 0.000 27.285 42.195) 50.248 1.298 ( 0.000 1.844 -10.511) 10.672 1.844 ( -0.000 -1.485 -22.073) 22.123 2.235 ( -0.000 -0.503 3.295) 3.333 2.389 ( -0.000 -0.805 -2.937) 3.046 2.501 ( -0.000 -0.232 1.655) 1.671 2.551 ( 0.000 1.792 -0.587) 1.886 2.951 ( -0.000 -15.083 -7.453) 16.824 3.283 ( 0.000 9.970 -12.053) 15.643 3.633 ( -0.000 -2.972 -1.196) 3.203 4.066 ( -0.000 -18.546 2.114) 18.666 4.176 ( -0.000 -11.614 -7.885) 14.038 4.511 ( 0.000 10.254 15.497) 18.582 4.904 ( 0.000 7.887 -3.254) 8.532 5.825 ( -0.000 -2.178 8.469) 8.745 6.196 ( -0.000 -5.093 -5.595) 7.566 6.209 ( 0.000 4.975 2.798) 5.708 6.390 ( 0.000 5.024 -3.759) 6.275 7.468 ( -0.000 -0.236 3.423) 3.431 7.611 ( 0.000 10.646 4.013) 11.377 7.631 ( -0.000 -0.250 -2.482) 2.494 7.865 ( 0.000 15.406 -7.551) 17.157 8.456 ( 0.000 29.138 -4.575) 29.495 9.077 ( 0.000 11.376 -21.969) 24.740 10.051 ( -0.000 -10.523 14.937) 18.271 10.623 ( -0.000 -14.695 -9.223) 17.350 11.125 ( -0.000 -4.437 0.638) 4.483 11.162 ( -0.000 -4.384 -0.675) 4.436 11.429 ( -0.000 -2.190 8.720) 8.990 11.924 ( 0.000 6.790 -14.004) 15.563 12.316 ( 0.000 1.694 0.442) 1.751 12.340 ( 0.000 1.697 -0.412) 1.746 12.370 ( 0.000 8.352 3.751) 9.156 12.470 ( 0.000 1.245 -0.048) 1.246 14.134 ( -0.000 -2.631 1.540) 3.048 14.203 ( 0.000 3.260 -1.244) 3.489 15.433 ( -0.000 -5.545 7.519) 9.342 15.796 ( 0.000 7.668 -10.674) 13.143 17.798 ( -0.000 -13.029 7.574) 15.070 17.933 ( -0.000 -13.620 7.055) 15.339 ======================= Grid point 300 (98/219) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 14.641 0.000 7.642) 16.516 1.927 ( 15.721 0.000 6.285) 16.931 2.483 ( 13.106 0.000 -10.319) 16.681 2.566 ( 7.900 0.000 -18.118) 19.765 2.971 ( -0.031 -0.000 9.272) 9.272 3.137 ( 2.264 0.000 2.158) 3.128 3.572 ( 7.228 0.000 -2.660) 7.702 3.639 ( 5.849 0.000 5.457) 7.999 3.736 ( 8.193 0.000 2.853) 8.675 3.822 ( 19.641 0.000 -1.896) 19.732 3.892 ( 6.896 0.000 -9.389) 11.649 3.988 ( 13.924 0.000 4.895) 14.759 4.016 ( 27.019 0.000 1.708) 27.073 4.383 ( 21.590 0.000 -1.789) 21.664 4.697 ( 2.058 0.000 1.500) 2.547 4.724 ( 15.199 0.000 -1.344) 15.258 5.354 ( -6.666 -0.000 6.289) 9.164 5.638 ( -12.133 -0.000 -4.241) 12.853 7.290 ( -4.315 -0.000 4.487) 6.225 7.582 ( -2.596 -0.000 -5.364) 5.959 8.415 ( 12.559 0.000 2.927) 12.896 8.697 ( 15.860 0.000 -11.441) 19.556 8.898 ( 16.715 0.000 5.434) 17.576 9.236 ( 15.854 0.000 1.188) 15.898 9.448 ( 16.546 0.000 4.743) 17.212 9.624 ( 8.720 0.000 -4.978) 10.040 9.976 ( -4.435 -0.000 1.871) 4.814 10.385 ( 8.431 0.000 15.373) 17.533 10.403 ( -5.286 -0.000 -9.826) 11.157 10.716 ( -6.682 -0.000 6.653) 9.429 11.113 ( -0.877 -0.000 -10.926) 10.961 11.293 ( -18.493 -0.000 -7.877) 20.100 11.777 ( 3.109 0.000 15.895) 16.196 12.228 ( -15.702 -0.000 12.167) 19.865 12.565 ( 2.525 0.000 -19.219) 19.384 12.742 ( 2.193 0.000 -4.571) 5.070 13.281 ( -11.658 -0.000 5.952) 13.089 13.326 ( -24.175 -0.000 -1.383) 24.215 15.429 ( -5.986 -0.000 1.927) 6.288 15.808 ( -2.000 -0.000 -17.194) 17.310 16.778 ( -9.376 -0.000 18.666) 20.889 17.296 ( -8.670 -0.000 -4.958) 9.987 ======================= Grid point 301 (99/219) ======================= q-point: ( 0.19 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 10.726 -1.102 2.888) 11.162 2.155 ( 8.519 -0.872 1.488) 8.692 2.673 ( 9.204 5.145 -8.014) 13.244 2.735 ( 6.140 -5.307 -8.502) 11.753 2.970 ( 2.888 1.881 4.955) 6.036 3.142 ( -0.802 0.121 -3.456) 3.550 3.550 ( -3.536 4.923 0.300) 6.069 3.674 ( -5.160 0.075 4.905) 7.119 3.736 ( 3.153 2.658 2.139) 4.645 4.048 ( 4.482 -4.674 -3.536) 7.378 4.158 ( 15.185 -0.773 0.086) 15.205 4.258 ( 16.088 0.331 -4.528) 16.717 4.561 ( 18.774 5.432 8.579) 21.344 4.654 ( 6.493 -8.177 6.473) 12.285 4.754 ( 4.514 1.325 -0.322) 4.715 5.065 ( 20.764 -1.182 -8.885) 22.616 5.366 ( 9.121 0.437 2.899) 9.581 5.468 ( -3.390 -0.485 -1.632) 3.794 7.204 ( -4.946 -1.077 5.454) 7.441 7.519 ( -3.787 -0.415 -5.581) 6.757 8.646 ( 12.110 -0.643 3.479) 12.617 8.951 ( 10.322 -0.208 -10.500) 14.725 9.205 ( 16.790 3.015 2.348) 17.219 9.420 ( 6.845 6.046 -0.479) 9.145 9.623 ( 1.786 -1.868 5.888) 6.430 9.819 ( 7.822 0.387 7.388) 10.767 9.975 ( 6.880 2.464 -7.329) 10.350 10.402 ( 6.064 0.435 -6.735) 9.073 10.521 ( 6.678 2.124 12.907) 14.687 10.599 ( -4.204 1.325 3.309) 5.512 10.996 ( -12.159 -4.840 -4.732) 13.916 11.105 ( -1.363 0.169 -9.959) 10.053 11.774 ( -4.559 1.233 16.111) 16.789 11.898 ( -18.520 -0.625 11.296) 21.703 12.504 ( -12.039 6.619 -15.783) 20.925 12.594 ( -18.223 -6.292 -14.910) 24.372 13.059 ( -0.732 0.756 5.773) 5.868 13.134 ( -5.011 -0.953 5.100) 7.213 15.327 ( -4.736 0.275 3.048) 5.639 15.751 ( -3.563 0.518 -17.003) 17.379 16.622 ( -7.385 0.220 17.605) 19.093 17.138 ( -8.138 0.614 -5.440) 9.808 ======================= Grid point 302 (100/219) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 6.934 -1.837 0.450) 7.187 2.268 ( 3.763 -0.478 -1.044) 3.934 2.761 ( 0.039 2.083 -1.811) 2.760 2.778 ( 1.033 1.592 -0.173) 1.905 3.098 ( 7.186 0.332 -2.862) 7.742 3.148 ( 3.880 -0.117 -7.435) 8.387 3.457 ( -3.101 3.713 1.318) 5.014 3.553 ( -4.698 3.279 0.297) 5.737 3.811 ( 4.018 -1.367 8.155) 9.193 4.110 ( -0.193 -4.342 -3.922) 5.854 4.348 ( 4.185 6.317 1.041) 7.648 4.402 ( -2.960 7.438 0.255) 8.010 4.600 ( 1.303 -12.463 1.166) 12.585 4.723 ( 0.288 -7.758 -2.008) 8.019 5.044 ( 16.371 2.645 7.893) 18.365 5.363 ( 13.408 11.687 -3.698) 18.167 5.589 ( 15.534 -3.269 -0.670) 15.889 5.650 ( 14.820 -7.766 -1.892) 16.838 7.131 ( -3.486 -2.088 6.132) 7.356 7.458 ( -2.934 -0.822 -5.460) 6.253 8.848 ( 7.677 2.221 -0.345) 7.999 9.032 ( -2.371 -1.796 -7.761) 8.311 9.422 ( 6.527 7.251 2.918) 10.183 9.536 ( 11.113 5.816 -1.121) 12.593 9.601 ( 0.999 2.655 5.616) 6.292 9.879 ( 1.497 -4.386 8.753) 9.904 10.114 ( 6.904 7.542 -3.218) 10.719 10.549 ( 3.800 -0.869 3.890) 5.507 10.609 ( 7.019 1.417 2.572) 7.608 10.647 ( 8.785 -5.530 -8.403) 13.355 10.919 ( 0.618 1.277 -2.481) 2.858 11.066 ( -1.565 -1.482 -5.353) 5.771 11.486 ( -18.710 4.603 10.165) 21.785 11.668 ( -13.416 -5.538 14.753) 20.696 12.048 ( -23.047 4.928 -8.467) 25.043 12.374 ( -13.362 -3.424 -12.482) 18.603 13.071 ( -2.840 0.414 3.266) 4.348 13.103 ( 2.917 0.449 0.542) 3.000 15.248 ( -3.366 1.548 3.540) 5.124 15.683 ( -3.149 0.501 -16.478) 16.783 16.503 ( -5.237 -0.208 16.590) 17.398 16.992 ( -6.925 0.510 -5.199) 8.674 ======================= Grid point 303 (101/219) ======================= q-point: ( 0.31 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 3.471 -1.187 -0.577) 3.713 2.320 ( 2.440 -0.962 -0.537) 2.677 2.715 ( -2.213 2.604 -0.346) 3.435 2.755 ( -2.145 2.536 -0.409) 3.347 3.160 ( 2.630 3.039 -2.910) 4.962 3.250 ( 1.642 -0.949 -5.391) 5.715 3.420 ( 1.076 0.683 1.796) 2.202 3.509 ( 1.633 -1.794 -0.899) 2.587 3.873 ( 1.359 0.753 5.251) 5.476 4.048 ( -8.164 3.215 -2.742) 9.193 4.239 ( -7.043 3.615 2.862) 8.418 4.318 ( 0.053 0.300 -0.208) 0.368 4.724 ( 1.880 -14.101 0.453) 14.233 4.826 ( 3.596 -6.796 -5.198) 9.281 5.232 ( 7.223 5.532 10.352) 13.782 5.516 ( 11.030 15.634 -2.167) 19.256 5.868 ( 11.013 -3.053 -0.661) 11.448 5.960 ( 11.426 -9.526 -3.523) 15.287 7.109 ( 0.031 -1.839 6.384) 6.644 7.426 ( -0.917 -0.719 -4.955) 5.090 8.786 ( -9.295 6.223 0.208) 11.187 8.969 ( -5.576 -1.381 -8.133) 9.958 9.460 ( 2.334 3.598 9.769) 10.669 9.594 ( 2.791 1.414 2.647) 4.098 9.750 ( 7.800 3.463 0.280) 8.539 10.023 ( 11.487 -3.696 2.373) 12.297 10.168 ( 4.471 4.368 -1.417) 6.410 10.538 ( -7.064 -5.816 -9.309) 13.053 10.700 ( 0.583 2.248 1.822) 2.952 10.803 ( 5.870 2.540 -0.345) 6.405 10.975 ( 5.887 2.786 -0.635) 6.544 11.075 ( -6.802 -4.461 0.193) 8.137 11.203 ( -3.951 4.457 6.032) 8.477 11.419 ( -9.621 -6.156 5.707) 12.768 11.722 ( -9.808 3.237 1.461) 10.431 12.120 ( -14.959 -1.567 -9.080) 17.569 13.008 ( -3.001 2.095 2.806) 4.612 13.136 ( 0.572 -0.564 -2.102) 2.250 15.179 ( -2.325 4.152 4.032) 6.237 15.635 ( -1.855 -0.203 -16.442) 16.547 16.435 ( -2.418 -1.160 15.656) 15.884 16.885 ( -4.286 -0.442 -4.573) 6.283 ======================= Grid point 304 (102/219) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.277 -0.681 0.272) 0.784 2.386 ( 2.537 -0.627 -1.423) 2.976 2.651 ( -2.440 3.327 0.672) 4.181 2.709 ( -1.499 0.778 -0.574) 1.783 3.143 ( -1.817 4.470 0.033) 4.825 3.244 ( -1.457 -1.071 -4.112) 4.492 3.477 ( 3.010 -6.072 1.974) 7.059 3.593 ( 2.920 -3.244 -3.744) 5.750 3.774 ( -11.265 5.126 1.062) 12.422 3.878 ( -4.167 1.245 -3.849) 5.808 4.176 ( 1.903 2.719 6.720) 7.495 4.374 ( 4.662 -0.621 -1.344) 4.892 4.799 ( -2.381 -13.646 0.712) 13.871 4.894 ( -0.344 -6.558 -4.763) 8.112 5.278 ( 1.907 7.232 10.443) 12.845 5.573 ( 4.584 16.561 -2.642) 17.386 6.007 ( 1.840 -2.434 0.266) 3.063 6.139 ( 2.164 -6.951 -3.844) 8.233 7.155 ( 4.239 0.244 5.786) 7.177 7.433 ( 1.419 -0.027 -4.129) 4.366 8.578 ( -8.705 1.786 3.632) 9.600 8.849 ( -7.121 -2.547 -7.110) 10.380 9.447 ( -1.584 2.584 4.002) 5.021 9.592 ( -6.799 -4.982 5.437) 10.031 9.769 ( -3.533 1.622 -2.141) 4.439 10.161 ( -3.821 -1.162 -8.061) 8.996 10.298 ( 9.350 1.125 5.032) 10.678 10.505 ( 5.691 1.352 -3.921) 7.042 10.612 ( -5.444 -0.227 2.050) 5.822 10.827 ( -0.852 0.095 -4.496) 4.577 10.914 ( -4.336 -0.020 7.335) 8.521 11.007 ( -10.920 -1.736 1.831) 11.208 11.173 ( 10.392 0.185 4.737) 11.422 11.493 ( 3.426 3.970 -2.709) 5.902 11.653 ( 1.878 -2.082 2.624) 3.840 11.896 ( -4.467 -2.306 -6.393) 8.133 12.952 ( -1.152 2.259 3.140) 4.037 13.134 ( -1.274 -1.382 -3.130) 3.651 15.123 ( -0.473 5.393 4.651) 7.137 15.614 ( -0.960 -1.023 -16.876) 16.934 16.424 ( 0.308 -1.377 15.012) 15.078 16.842 ( -0.983 -1.427 -3.968) 4.330 ======================= Grid point 305 (103/219) ======================= q-point: (-0.56 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -0.048 -1.806 0.091) 1.809 2.402 ( -0.379 2.481 -2.485) 3.532 2.601 ( -1.586 1.671 2.990) 3.774 2.685 ( -1.053 -0.759 0.079) 1.300 3.076 ( -2.882 1.908 0.854) 3.560 3.214 ( -2.775 -2.149 -4.112) 5.406 3.479 ( -11.375 1.032 0.160) 11.423 3.588 ( -3.225 1.336 -5.643) 6.635 3.622 ( 1.529 -8.506 3.307) 9.254 3.872 ( 1.979 -2.450 -6.003) 6.779 4.229 ( 5.202 4.612 8.261) 10.798 4.471 ( 5.741 2.254 -1.928) 6.462 4.792 ( -6.547 -13.526 1.235) 15.078 4.890 ( -4.104 -6.625 -4.069) 8.792 5.230 ( -2.169 7.877 9.271) 12.357 5.503 ( -1.695 16.446 -2.778) 16.765 5.955 ( -8.418 -0.412 1.219) 8.516 6.111 ( -8.105 -3.178 -3.762) 9.484 7.248 ( 6.303 3.072 4.581) 8.376 7.475 ( 3.234 0.924 -3.393) 4.778 8.472 ( -3.730 -5.250 4.507) 7.861 8.763 ( -4.842 -7.400 -6.193) 10.796 9.375 ( -11.698 -2.547 -0.779) 11.997 9.398 ( -9.467 -5.525 1.233) 11.031 9.642 ( -8.811 2.808 0.917) 9.293 10.019 ( -9.890 -1.162 -7.536) 12.488 10.280 ( -5.738 3.844 11.231) 13.184 10.519 ( -7.963 -2.912 4.214) 9.468 10.662 ( 1.993 -1.903 -1.112) 2.972 10.768 ( -6.816 -4.189 4.276) 9.071 10.838 ( 3.761 3.984 -3.403) 6.450 11.090 ( 14.136 -2.499 -5.838) 15.497 11.286 ( 0.438 4.759 0.985) 4.879 11.535 ( 7.338 2.696 -3.040) 8.388 11.625 ( 2.629 -3.375 9.885) 10.771 12.125 ( 19.129 -2.433 -8.636) 21.128 12.953 ( 2.254 0.506 3.325) 4.049 13.108 ( -2.499 -1.673 -2.044) 3.636 15.114 ( 2.425 3.662 4.530) 6.310 15.605 ( -1.098 -1.966 -16.797) 16.947 16.457 ( 2.617 -0.424 14.603) 14.841 16.860 ( 1.761 -1.811 -3.651) 4.440 ======================= Grid point 306 (104/219) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.800 -0.729 -1.000) 1.474 2.348 ( -3.444 3.833 -1.877) 5.485 2.561 ( -2.086 -0.155 4.203) 4.694 2.675 ( -1.446 -2.402 0.019) 2.804 3.018 ( -3.388 -1.112 0.290) 3.578 3.153 ( -6.471 -2.128 -3.949) 7.874 3.271 ( -7.588 -1.183 2.911) 8.213 3.502 ( -3.589 4.015 -8.370) 9.953 3.720 ( 0.015 -12.928 2.058) 13.090 3.905 ( -1.590 -3.030 -4.090) 5.333 4.302 ( 5.461 5.645 7.695) 10.996 4.538 ( 1.861 2.309 -1.956) 3.552 4.718 ( -7.635 -9.117 1.304) 11.963 4.809 ( -8.723 -5.142 -3.638) 10.760 5.124 ( -3.875 7.284 7.708) 11.291 5.354 ( -3.776 13.760 -2.709) 14.523 5.706 ( -17.524 1.766 2.136) 17.742 5.885 ( -16.461 0.400 -3.701) 16.877 7.337 ( 5.375 5.072 3.748) 8.286 7.536 ( 3.891 1.801 -3.172) 5.333 8.483 ( -1.281 -11.895 4.145) 12.662 8.756 ( -2.202 -12.524 -5.305) 13.779 9.084 ( -18.374 -6.648 1.062) 19.569 9.311 ( -7.312 -2.749 -10.064) 12.740 9.444 ( -7.201 3.863 5.318) 9.750 9.834 ( -11.225 -3.900 -6.666) 13.626 10.129 ( -8.524 3.746 11.946) 15.146 10.386 ( -8.066 -4.799 8.265) 12.506 10.482 ( -16.026 -5.966 -0.323) 17.104 10.717 ( -2.038 2.569 8.607) 9.211 10.929 ( -0.155 -2.496 -11.495) 11.764 11.267 ( 12.424 6.307 -3.169) 14.289 11.379 ( 10.537 0.501 1.833) 10.707 11.775 ( 11.331 -2.188 6.163) 13.083 11.834 ( 20.587 -1.649 -0.047) 20.653 12.501 ( 19.279 0.062 -13.147) 23.335 13.028 ( 5.585 -1.093 3.458) 6.659 13.062 ( -2.832 -0.952 1.866) 3.523 15.172 ( 4.909 0.458 3.175) 5.864 15.592 ( -1.847 -3.707 -15.257) 15.809 16.526 ( 4.953 0.842 14.028) 14.900 16.924 ( 3.889 -2.197 -3.573) 5.720 ======================= Grid point 307 (105/219) ======================= q-point: (-0.44 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -7.866 6.462 -0.629) 10.200 2.298 ( -3.615 1.889 -2.407) 4.736 2.524 ( -3.944 -1.857 4.745) 6.444 2.645 ( -3.524 -3.963 1.238) 5.446 2.947 ( -5.239 -2.405 -2.694) 6.363 3.025 ( -5.313 -1.269 -2.568) 6.036 3.234 ( -0.808 -6.450 2.461) 6.950 3.409 ( -5.259 0.622 -6.886) 8.687 3.724 ( -7.905 -12.076 0.354) 14.438 3.819 ( -9.315 -2.137 -2.420) 9.858 4.326 ( -2.744 4.756 6.354) 8.398 4.445 ( -10.428 0.243 3.137) 10.892 4.587 ( -15.974 1.560 -3.551) 16.438 4.681 ( 1.130 1.823 -2.655) 3.414 5.042 ( -0.953 5.241 5.439) 7.613 5.233 ( -7.173 6.800 -2.774) 10.265 5.333 ( -16.522 0.886 3.549) 16.922 5.543 ( -16.690 1.346 -3.524) 17.111 7.386 ( 3.142 5.221 3.532) 7.043 7.592 ( 3.202 2.198 -3.526) 5.246 8.500 ( -6.552 -14.350 4.308) 16.353 8.771 ( -12.149 -8.086 -2.906) 14.880 8.805 ( -8.376 -9.064 0.874) 12.372 9.113 ( -10.973 2.361 -11.922) 16.374 9.433 ( 3.512 -5.546 1.852) 6.821 9.658 ( -10.662 -6.836 -3.255) 13.077 9.922 ( -10.880 2.358 7.117) 13.213 10.191 ( -17.861 -7.486 1.896) 19.459 10.278 ( -6.921 -5.293 6.316) 10.761 10.645 ( -3.974 2.109 5.419) 7.043 10.989 ( 7.095 -2.809 -3.153) 8.257 11.477 ( 12.141 8.438 -9.771) 17.723 11.633 ( 16.319 -2.110 10.745) 19.652 11.940 ( 6.138 0.272 15.263) 16.453 12.264 ( 20.289 -2.337 -14.388) 24.983 12.776 ( 8.205 0.256 -15.955) 17.942 13.042 ( 3.281 1.097 7.990) 8.707 13.208 ( 14.595 1.156 1.895) 14.762 15.273 ( 4.891 -1.684 1.510) 5.389 15.590 ( -1.016 -6.591 -12.972) 14.586 16.632 ( 7.134 1.511 13.598) 15.430 17.030 ( 5.930 -3.162 -3.532) 7.592 ======================= Grid point 308 (106/219) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -12.929 9.063 -0.167) 15.790 2.187 ( -6.825 2.446 -5.337) 9.002 2.380 ( -10.245 6.046 7.392) 14.006 2.598 ( -4.858 -6.801 5.954) 10.262 2.906 ( -3.486 -8.489 -7.222) 11.678 2.945 ( -4.171 3.227 -7.210) 8.933 3.243 ( -6.893 -8.514 3.010) 11.360 3.316 ( -3.913 -9.423 0.402) 10.211 3.561 ( -15.935 -11.656 -1.842) 19.828 3.608 ( -13.227 -0.690 -2.470) 13.473 4.033 ( -22.371 4.435 3.730) 23.109 4.203 ( -19.468 3.933 0.383) 19.865 4.250 ( -14.299 9.558 3.045) 17.466 4.618 ( -12.565 9.612 -8.752) 18.080 4.887 ( -4.755 2.881 4.662) 7.256 5.022 ( -9.816 7.153 -0.670) 12.164 5.201 ( 2.418 -4.953 6.225) 8.314 5.459 ( 4.280 -5.642 -3.617) 7.952 7.402 ( 1.450 3.712 3.284) 5.164 7.624 ( 1.293 1.788 -4.194) 4.739 8.356 ( -17.869 -13.955 4.486) 23.112 8.530 ( -10.424 2.085 1.334) 10.714 8.683 ( -14.286 -7.489 -3.791) 16.569 8.919 ( -11.847 -1.416 -9.347) 15.157 9.497 ( -10.997 -3.979 2.803) 12.026 9.528 ( -1.453 -6.433 -2.183) 6.947 9.798 ( 0.182 -6.435 3.152) 7.168 9.964 ( -10.271 -9.743 2.950) 14.461 10.204 ( -4.033 -7.000 4.558) 9.276 10.580 ( -2.214 -2.522 -1.241) 3.578 11.191 ( 12.992 2.171 2.801) 13.467 11.635 ( 8.618 5.426 -5.028) 11.357 11.869 ( 3.936 3.844 10.284) 11.663 12.067 ( 12.484 -1.761 13.476) 18.454 12.513 ( 5.572 0.041 -14.970) 15.973 12.823 ( -0.953 0.570 -12.653) 12.701 13.234 ( 17.784 1.714 9.009) 20.009 13.543 ( 21.399 4.797 -4.280) 22.344 15.362 ( 3.621 -2.924 0.768) 4.717 15.636 ( 0.875 -8.403 -12.005) 14.680 16.773 ( 8.917 1.241 14.156) 16.776 17.178 ( 7.673 -4.116 -3.238) 9.290 ======================= Grid point 309 (107/219) ======================= q-point: (-0.31 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -16.050 11.633 0.385) 19.826 2.026 ( -8.637 3.579 -6.570) 11.427 2.105 ( -13.667 9.353 6.765) 17.889 2.528 ( -8.519 -7.702 8.474) 14.273 2.696 ( -17.688 4.985 -9.081) 20.498 2.863 ( -12.136 -6.827 -4.265) 14.564 3.110 ( -11.525 -11.478 3.512) 16.640 3.302 ( -13.148 -3.951 0.286) 13.732 3.326 ( -13.960 -5.189 -0.759) 14.912 3.354 ( -10.564 -6.707 0.461) 12.522 3.597 ( -16.955 3.904 6.159) 18.456 3.797 ( -21.424 -0.024 -1.440) 21.472 3.849 ( -20.253 2.652 -0.828) 20.443 4.215 ( -17.110 14.090 -15.272) 26.916 4.825 ( -2.446 8.498 7.770) 11.772 4.946 ( 5.481 6.041 1.118) 8.234 5.353 ( 7.684 -7.523 5.678) 12.161 5.625 ( 7.407 -10.200 -4.020) 13.231 7.399 ( -0.311 1.887 1.932) 2.718 7.603 ( -3.820 0.527 -4.838) 6.187 8.040 ( -22.093 -9.481 5.107) 24.578 8.332 ( -11.476 -0.167 -1.456) 11.569 8.396 ( -18.830 -2.808 -3.590) 19.374 8.624 ( -20.796 -3.970 -3.251) 21.420 9.296 ( -10.494 4.738 3.217) 11.954 9.463 ( -4.672 -4.374 -4.874) 8.044 9.846 ( -7.731 -12.814 4.785) 15.711 9.965 ( 3.872 -10.017 2.800) 11.098 10.248 ( 4.482 -11.233 4.196) 12.801 10.632 ( 6.088 -4.919 -5.493) 9.562 11.391 ( 8.744 6.829 4.667) 12.037 11.690 ( 1.516 -0.056 11.790) 11.887 11.907 ( 8.285 9.500 -8.292) 15.087 12.342 ( 12.011 -3.358 9.317) 15.568 12.528 ( -1.643 3.903 -10.527) 11.346 12.777 ( -2.037 1.913 -6.854) 7.402 13.603 ( 21.404 3.413 4.783) 22.196 13.888 ( 17.326 4.797 -6.149) 19.000 15.465 ( 5.782 -3.767 -0.669) 6.933 15.686 ( -1.013 -7.327 -12.094) 14.176 16.949 ( 10.427 0.168 15.895) 19.011 17.356 ( 8.674 -4.594 -2.264) 10.073 ======================= Grid point 310 (108/219) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -15.448 14.668 2.069) 21.403 1.725 ( -17.795 15.297 12.749) 26.706 1.879 ( -9.350 -2.326 -16.595) 19.189 2.182 ( -28.486 -1.822 -5.181) 29.011 2.362 ( -19.508 6.264 7.514) 21.823 2.595 ( -12.150 0.328 1.243) 12.218 2.841 ( -22.196 2.060 5.801) 23.034 2.954 ( -15.840 -6.688 6.702) 18.454 3.018 ( -18.924 2.319 4.329) 19.551 3.150 ( -22.006 5.765 -1.497) 22.798 3.412 ( -1.777 -10.004 -2.041) 10.363 3.517 ( -9.876 -8.984 -6.000) 14.637 3.719 ( -0.782 -16.724 -1.802) 16.839 3.919 ( -6.148 12.474 -20.226) 24.546 4.756 ( 0.871 12.301 12.722) 17.718 5.013 ( 5.165 7.511 -1.298) 9.208 5.536 ( 6.750 -8.148 6.307) 12.318 5.822 ( 6.489 -12.224 -4.147) 14.448 7.326 ( -10.755 0.397 -2.854) 11.134 7.404 ( -21.140 -5.735 -4.177) 22.299 7.675 ( -19.476 -4.376 7.696) 21.394 8.003 ( -19.487 -0.054 -7.440) 20.860 8.143 ( -11.870 -0.684 1.290) 11.960 8.252 ( -18.427 -1.803 0.312) 18.518 9.062 ( -7.512 15.268 3.138) 17.303 9.446 ( 0.352 0.980 -10.350) 10.402 9.762 ( -7.765 -14.993 6.600) 18.128 10.074 ( 0.867 -18.693 -3.447) 19.028 10.494 ( 14.540 -7.868 8.468) 18.575 10.818 ( 8.377 -6.520 -3.100) 11.058 11.401 ( -1.274 2.762 10.907) 11.323 11.858 ( 16.068 3.916 3.548) 16.915 12.015 ( 7.567 8.549 -13.811) 17.919 12.391 ( -5.374 4.310 -14.324) 15.894 12.549 ( 4.865 0.223 8.903) 10.148 12.743 ( -0.668 3.147 0.258) 3.227 13.942 ( 16.504 4.797 1.574) 17.259 14.102 ( 7.924 2.856 -3.368) 9.072 15.574 ( -1.030 -4.799 -2.369) 5.450 15.703 ( 3.487 -2.597 -12.752) 13.473 17.159 ( 11.572 -2.166 18.773) 22.159 17.546 ( 8.609 -4.998 -0.267) 9.958 ======================= Grid point 311 (109/219) ======================= q-point: (-0.19 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -9.564 17.562 6.325) 20.974 1.211 ( -28.026 12.795 8.861) 32.057 1.601 ( -22.959 2.334 -7.627) 24.305 1.810 ( -7.233 0.425 -10.409) 12.682 1.948 ( -10.507 23.437 14.486) 29.488 2.375 ( -12.502 2.547 2.746) 13.051 2.493 ( -13.175 -2.589 -1.368) 13.496 2.651 ( -14.706 1.612 2.970) 15.089 2.749 ( -16.018 3.158 -1.815) 16.427 2.784 ( -8.147 -10.888 12.820) 18.689 3.411 ( -1.609 -2.515 -12.027) 12.392 3.522 ( 1.209 -8.022 -6.088) 10.143 3.819 ( 0.315 -4.329 -10.144) 11.033 3.856 ( 1.138 -16.021 -5.608) 17.012 4.705 ( 1.272 13.351 14.763) 19.946 5.042 ( 2.946 9.355 -3.080) 10.280 5.685 ( 4.345 -7.532 7.336) 11.377 5.992 ( 4.263 -11.848 -4.290) 13.302 6.840 ( -36.860 -3.753 -3.062) 37.177 6.881 ( -34.227 0.645 -3.533) 34.414 7.489 ( -3.506 -0.219 5.426) 6.464 7.726 ( -10.148 0.919 -4.260) 11.045 7.911 ( -8.451 7.575 1.562) 11.456 8.041 ( -6.093 2.288 0.029) 6.508 8.874 ( -2.647 17.799 -2.259) 18.136 9.396 ( -1.751 13.381 -20.004) 24.130 9.778 ( -1.537 -20.191 10.956) 23.023 10.236 ( 2.584 -24.276 -7.602) 25.569 10.840 ( 17.552 -5.699 7.449) 19.901 10.973 ( 3.853 -7.792 -0.050) 8.693 11.385 ( 0.042 -1.194 10.866) 10.931 12.062 ( 2.985 9.307 -16.977) 19.590 12.166 ( 17.053 4.119 -2.214) 17.683 12.296 ( 0.438 5.900 -8.750) 10.562 12.568 ( -2.080 1.744 5.395) 6.040 12.671 ( -6.351 4.636 0.015) 7.863 14.110 ( 2.439 1.384 1.416) 3.142 14.200 ( 6.458 4.043 -1.023) 7.687 15.470 ( -9.595 -4.680 2.300) 10.920 15.832 ( 6.927 2.751 -15.164) 16.896 17.401 ( 10.836 -8.364 21.478) 25.469 17.721 ( 6.555 -5.672 2.688) 9.076 ======================= Grid point 312 (110/219) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 15.894 14.001) 21.181 0.763 ( 0.000 17.359 12.532) 21.410 1.326 ( 0.000 3.092 -8.862) 9.386 1.631 ( 0.000 32.845 33.707) 47.063 1.821 ( -0.000 -1.442 -22.665) 22.711 2.227 ( -0.000 -0.806 2.865) 2.976 2.376 ( -0.000 -1.419 -3.258) 3.553 2.502 ( 0.000 0.544 2.336) 2.399 2.575 ( 0.000 2.207 -0.854) 2.367 2.784 ( -0.000 -13.498 8.848) 16.140 3.387 ( 0.000 6.137 -19.279) 20.232 3.580 ( -0.000 -6.383 -3.163) 7.123 3.877 ( -0.000 -12.473 -1.490) 12.562 3.986 ( -0.000 -20.433 -7.060) 21.618 4.645 ( 0.000 12.915 15.522) 20.193 5.014 ( 0.000 10.366 -3.969) 11.100 5.775 ( -0.000 -6.485 8.216) 10.466 6.111 ( -0.000 -10.047 -4.957) 11.203 6.290 ( 0.000 9.326 2.785) 9.733 6.472 ( 0.000 9.358 -3.811) 10.104 7.464 ( -0.000 -0.428 3.461) 3.487 7.627 ( -0.000 -0.468 -2.453) 2.497 7.770 ( 0.000 14.420 2.383) 14.615 7.962 ( 0.000 4.697 -1.636) 4.973 8.746 ( 0.000 19.834 -7.918) 21.356 9.271 ( 0.000 19.928 -25.064) 32.021 9.883 ( -0.000 -18.712 13.025) 22.799 10.401 ( -0.000 -23.384 -8.828) 24.995 11.054 ( -0.000 -7.881 0.654) 7.908 11.092 ( -0.000 -7.796 -0.687) 7.826 11.399 ( -0.000 -2.677 10.035) 10.386 12.023 ( 0.000 10.146 -18.702) 21.277 12.342 ( 0.000 2.706 0.442) 2.742 12.366 ( 0.000 2.719 -0.415) 2.751 12.480 ( 0.000 9.543 -1.904) 9.731 12.493 ( 0.000 3.395 0.902) 3.512 14.113 ( -0.000 -0.881 3.646) 3.750 14.245 ( 0.000 4.160 -1.709) 4.498 15.379 ( -0.000 -3.886 9.408) 10.180 15.875 ( 0.000 5.788 -16.181) 17.185 17.599 ( -0.000 -16.884 19.541) 25.824 17.830 ( -0.000 -7.122 5.407) 8.942 ======================= Grid point 317 (111/219) ======================= q-point: ( 0.19 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 7.114 0.000 0.324) 7.121 2.266 ( 3.896 0.000 -1.525) 4.184 2.776 ( 1.594 0.000 -1.675) 2.312 2.784 ( -0.492 -0.000 0.646) 0.812 3.098 ( 9.693 0.000 -3.461) 10.293 3.149 ( 1.477 0.000 -6.893) 7.049 3.480 ( -4.403 -0.000 0.688) 4.457 3.571 ( -5.550 -0.000 1.311) 5.703 3.808 ( 4.356 0.000 6.086) 7.484 4.075 ( 1.167 0.000 -2.440) 2.705 4.415 ( 11.447 0.000 0.747) 11.472 4.471 ( -11.813 -0.000 4.589) 12.673 4.484 ( 2.425 0.000 -2.130) 3.228 4.669 ( -0.362 -0.000 -3.175) 3.196 5.060 ( 17.017 0.000 8.740) 19.130 5.464 ( 19.604 0.000 -7.119) 20.856 5.536 ( 10.568 0.000 1.106) 10.626 5.606 ( 14.089 0.000 -0.883) 14.117 7.119 ( -3.359 -0.000 6.270) 7.113 7.453 ( -2.880 -0.000 -5.594) 6.291 8.860 ( 9.914 0.000 -0.871) 9.952 9.021 ( -3.427 -0.000 -7.216) 7.989 9.467 ( 6.378 0.000 2.427) 6.825 9.573 ( 7.060 0.000 -2.405) 7.458 9.613 ( 3.955 0.000 8.671) 9.530 9.852 ( 0.592 0.000 8.318) 8.339 10.166 ( 6.821 0.000 -4.233) 8.028 10.539 ( 0.155 0.000 1.285) 1.294 10.601 ( 10.003 0.000 -9.634) 13.888 10.625 ( 6.050 0.000 5.683) 8.300 10.930 ( 5.936 0.000 -1.392) 6.097 11.057 ( -3.722 -0.000 -5.371) 6.535 11.521 ( -19.750 -0.000 9.347) 21.851 11.627 ( -13.075 -0.000 15.520) 20.293 12.078 ( -24.052 -0.000 -8.176) 25.404 12.352 ( -11.994 -0.000 -12.789) 17.533 13.073 ( -2.366 -0.000 3.270) 4.036 13.105 ( 2.615 0.000 0.431) 2.650 15.258 ( -2.873 -0.000 3.458) 4.496 15.686 ( -3.350 -0.000 -16.354) 16.694 16.502 ( -5.487 -0.000 16.651) 17.532 16.995 ( -7.190 -0.000 -5.288) 8.925 ======================= Grid point 318 (112/219) ======================= q-point: ( 0.25 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.896 -0.460 -0.714) 4.969 2.313 ( 1.422 -0.314 -1.476) 2.073 2.743 ( -2.266 2.045 0.887) 3.179 2.768 ( -2.193 -0.083 0.687) 2.300 3.184 ( 2.440 1.179 -5.021) 5.706 3.240 ( 2.715 -0.567 -4.522) 5.305 3.435 ( 0.933 1.538 -0.063) 1.800 3.487 ( -2.634 -1.798 0.512) 3.230 3.885 ( 3.028 0.870 4.556) 5.539 4.063 ( -5.223 0.155 -1.945) 5.575 4.260 ( -8.462 0.731 3.876) 9.336 4.350 ( -5.193 3.509 0.437) 6.282 4.597 ( 4.643 -7.196 0.858) 8.607 4.771 ( 5.041 -2.665 -7.835) 9.690 5.277 ( 7.700 2.130 12.667) 14.976 5.685 ( 11.541 14.095 -3.071) 18.474 5.830 ( 12.207 -8.728 -2.597) 15.229 5.850 ( 10.276 -4.612 -2.249) 11.486 7.094 ( 0.768 -0.638 6.551) 6.627 7.420 ( -0.650 -0.253 -5.120) 5.167 8.844 ( -11.674 3.559 -1.391) 12.283 8.945 ( -3.664 -2.126 -7.618) 8.717 9.494 ( 2.489 1.970 13.859) 14.218 9.601 ( -2.631 -0.030 2.459) 3.601 9.779 ( 7.717 1.431 -1.221) 7.943 9.992 ( 13.126 -1.484 2.266) 13.403 10.213 ( 1.306 2.732 -3.421) 4.569 10.481 ( -4.689 -3.313 -10.080) 11.600 10.720 ( 1.410 1.066 2.703) 3.230 10.824 ( 8.903 0.969 1.411) 9.066 10.998 ( 1.960 1.513 -1.312) 2.803 11.033 ( -6.025 -2.563 -1.146) 6.647 11.266 ( -5.717 6.424 7.375) 11.329 11.343 ( -7.823 -6.995 7.078) 12.658 11.750 ( -11.367 1.426 0.443) 11.465 12.106 ( -14.361 -0.726 -9.671) 17.329 13.026 ( -2.471 0.977 2.418) 3.593 13.130 ( -0.023 -0.413 -1.764) 1.812 15.215 ( -1.391 1.774 3.373) 4.056 15.633 ( -2.355 -0.175 -15.762) 15.938 16.425 ( -2.702 -0.494 15.687) 15.925 16.881 ( -4.793 -0.216 -4.703) 6.719 ======================= Grid point 319 (113/219) ======================= q-point: ( 0.31 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.195 -0.382 0.166) 0.460 2.379 ( 3.609 -0.526 -1.098) 3.809 2.688 ( -2.446 2.686 -0.059) 3.633 2.717 ( -2.370 0.611 -0.093) 2.449 3.191 ( -1.910 3.390 -0.050) 3.891 3.229 ( -1.628 -1.412 -3.105) 3.779 3.427 ( -0.534 -2.468 1.880) 3.148 3.551 ( 4.144 -3.610 -4.438) 7.064 3.831 ( -11.506 4.610 0.453) 12.403 3.887 ( -5.496 0.253 -3.432) 6.485 4.200 ( 2.550 1.438 7.054) 7.637 4.367 ( 5.351 -0.478 -0.188) 5.376 4.674 ( -0.942 -8.069 0.935) 8.177 4.836 ( 0.140 -3.649 -7.557) 8.393 5.344 ( 1.873 4.320 13.276) 14.087 5.751 ( 4.162 14.744 -3.604) 15.738 5.981 ( 2.504 -1.914 -0.967) 3.296 6.043 ( 3.268 -9.861 -3.279) 10.894 7.157 ( 5.545 0.170 5.714) 7.964 7.433 ( 1.831 -0.021 -4.138) 4.525 8.598 ( -11.686 1.532 2.795) 12.113 8.822 ( -8.748 -1.997 -7.001) 11.382 9.477 ( -3.326 2.601 4.839) 6.422 9.542 ( -7.705 -3.790 6.365) 10.689 9.782 ( -4.776 0.708 -3.502) 5.965 10.148 ( -3.080 -0.950 -8.718) 9.295 10.309 ( 11.535 0.817 5.169) 12.667 10.520 ( 7.328 1.094 -3.713) 8.287 10.609 ( -8.569 -0.306 2.752) 9.005 10.826 ( -2.481 -0.172 -2.648) 3.633 10.917 ( -3.626 0.399 4.297) 5.637 10.989 ( -13.588 -1.299 2.520) 13.881 11.174 ( 12.882 0.040 6.134) 14.268 11.539 ( 7.165 3.816 -1.348) 8.229 11.628 ( 0.499 -2.191 2.026) 3.026 11.870 ( -6.920 -1.933 -7.978) 10.736 12.977 ( -1.520 1.981 2.476) 3.516 13.118 ( -1.646 -1.370 -2.342) 3.173 15.181 ( -0.333 4.306 3.344) 5.462 15.600 ( -1.645 -1.220 -15.490) 15.625 16.410 ( 0.599 -0.940 14.726) 14.768 16.827 ( -1.343 -1.048 -4.002) 4.350 ======================= Grid point 320 (114/219) ======================= q-point: (-0.62 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -1.057 -1.732 1.334) 2.428 2.428 ( 1.639 1.764 -2.095) 3.191 2.625 ( -2.267 2.391 0.865) 3.406 2.681 ( -1.723 -0.120 0.102) 1.730 3.107 ( -4.154 3.191 1.488) 5.446 3.190 ( -3.855 -2.000 -2.890) 5.217 3.448 ( -3.255 -6.286 1.307) 7.199 3.578 ( -9.194 0.748 3.113) 9.735 3.600 ( -0.464 0.429 -6.056) 6.089 3.848 ( 0.279 -1.697 -8.219) 8.397 4.279 ( 6.247 3.876 9.092) 11.693 4.487 ( 6.544 0.582 -0.638) 6.601 4.660 ( -5.457 -9.414 1.255) 10.953 4.827 ( -3.309 -4.403 -7.061) 8.955 5.307 ( -2.694 5.503 12.204) 13.656 5.678 ( -2.808 14.384 -3.661) 15.106 5.946 ( -7.298 -0.941 0.290) 7.364 6.058 ( -6.599 -6.202 -3.374) 9.664 7.278 ( 7.450 2.106 4.145) 8.781 7.484 ( 3.622 0.555 -3.114) 4.809 8.424 ( -7.178 -3.088 4.254) 8.898 8.689 ( -7.153 -5.360 -5.880) 10.699 9.305 ( -17.581 -5.972 3.094) 18.823 9.390 ( -5.431 0.401 -3.107) 6.270 9.672 ( -6.848 2.355 0.744) 7.280 10.009 ( -10.726 -0.567 -7.171) 12.915 10.315 ( -6.308 2.332 10.490) 12.460 10.490 ( -9.636 -2.161 4.126) 10.703 10.647 ( 3.168 -0.637 0.192) 3.237 10.724 ( -9.178 -3.459 4.835) 10.935 10.875 ( 2.430 2.461 -3.012) 4.587 11.065 ( 17.978 -1.870 -8.527) 19.986 11.345 ( 2.033 5.773 3.949) 7.284 11.562 ( 3.385 -0.928 4.960) 6.076 11.584 ( 2.922 -1.064 1.572) 3.485 12.094 ( 20.176 -2.878 -9.742) 22.589 12.962 ( 1.117 0.989 2.849) 3.216 13.088 ( -2.351 -1.616 -1.407) 3.181 15.162 ( 1.283 4.525 3.207) 5.693 15.579 ( -2.013 -2.494 -15.108) 15.444 16.452 ( 3.405 -0.316 13.830) 14.246 16.840 ( 1.655 -1.643 -3.454) 4.167 ======================= Grid point 321 (115/219) ======================= q-point: (-0.56 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -1.597 -3.779 0.941) 4.209 2.406 ( -1.715 5.556 -2.861) 6.480 2.577 ( -2.214 1.797 3.147) 4.246 2.651 ( -1.987 -1.654 0.625) 2.660 3.013 ( -4.689 0.286 0.590) 4.735 3.118 ( -5.718 -3.663 -3.305) 7.552 3.279 ( -9.643 2.238 3.039) 10.355 3.548 ( -3.126 3.796 -7.978) 9.372 3.579 ( -0.748 -11.684 3.519) 12.225 3.869 ( -1.149 -3.055 -8.271) 8.892 4.364 ( 5.049 4.773 9.148) 11.487 4.534 ( -4.235 -2.742 -0.184) 5.048 4.637 ( 0.670 -5.048 0.235) 5.097 4.765 ( -5.558 -2.527 -5.919) 8.503 5.195 ( -5.407 5.248 10.380) 12.827 5.505 ( -6.708 12.629 -3.311) 14.678 5.722 ( -16.592 1.071 1.390) 16.684 5.875 ( -15.294 -2.316 -3.560) 15.873 7.388 ( 5.809 3.900 3.103) 7.654 7.553 ( 4.211 1.293 -2.671) 5.152 8.362 ( -3.819 -9.132 4.371) 10.820 8.628 ( -3.969 -9.705 -5.153) 11.683 9.011 ( -16.936 -6.074 2.479) 18.162 9.283 ( -6.812 -2.011 -10.057) 12.312 9.498 ( -8.316 5.014 2.578) 10.046 9.796 ( -12.652 -2.888 -4.814) 13.841 10.166 ( -8.826 2.870 9.551) 13.318 10.333 ( -8.529 -4.443 7.578) 12.244 10.423 ( -17.016 -4.361 1.689) 17.647 10.741 ( 0.622 1.575 8.975) 9.133 10.900 ( -2.912 -2.491 -11.516) 12.137 11.338 ( 12.654 6.075 0.881) 14.064 11.388 ( 10.444 0.904 -1.558) 10.598 11.753 ( 10.965 -1.921 8.989) 14.308 11.813 ( 20.910 -1.565 -2.990) 21.180 12.494 ( 20.067 -1.211 -14.051) 24.527 13.017 ( 5.178 -0.869 3.554) 6.340 13.052 ( -1.820 -0.729 2.005) 2.804 15.186 ( 3.277 1.854 2.234) 4.378 15.548 ( -3.238 -4.002 -13.626) 14.566 16.536 ( 5.671 0.892 12.798) 14.026 16.900 ( 3.627 -1.963 -3.078) 5.146 ======================= Grid point 322 (116/219) ======================= q-point: (-0.50 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -5.448 -0.368 -1.196) 5.590 2.316 ( -3.888 4.786 -1.979) 6.476 2.516 ( -3.112 0.651 5.188) 6.084 2.613 ( -3.648 -1.945 0.438) 4.157 2.931 ( -4.980 -1.182 -1.267) 5.273 3.003 ( -6.854 -2.152 -1.747) 7.393 3.172 ( -2.504 -3.863 3.531) 5.802 3.430 ( -8.185 2.371 -6.933) 10.986 3.586 ( -7.019 -12.092 1.972) 14.120 3.798 ( -8.004 -1.395 -6.881) 10.647 4.339 ( -9.197 -1.926 3.787) 10.131 4.479 ( 0.732 4.946 4.456) 6.697 4.578 ( -13.182 -1.877 -3.830) 13.855 4.714 ( 2.276 3.148 -1.313) 4.100 5.086 ( -2.776 2.643 7.583) 8.497 5.312 ( -13.452 6.743 -1.643) 15.137 5.353 ( -14.887 2.787 1.274) 15.199 5.551 ( -17.870 0.146 -3.779) 18.265 7.442 ( 2.574 4.525 2.968) 5.992 7.616 ( 3.289 2.012 -3.053) 4.918 8.341 ( -6.909 -13.071 4.650) 15.498 8.628 ( -4.579 -12.533 -4.997) 14.248 8.763 ( -11.579 -2.797 3.149) 12.321 9.132 ( -9.856 0.831 -13.140) 16.446 9.392 ( -0.686 -1.697 1.866) 2.614 9.587 ( -11.857 -5.552 -2.756) 13.379 9.949 ( -12.255 2.494 5.982) 13.864 10.115 ( -18.315 -5.829 2.530) 19.386 10.216 ( -7.370 -5.453 6.763) 11.393 10.662 ( -6.881 0.728 1.280) 7.036 10.963 ( 9.716 -1.688 2.190) 10.102 11.550 ( 9.542 3.986 -8.359) 13.297 11.624 ( 17.367 1.035 10.859) 20.508 11.944 ( 8.298 0.496 13.084) 15.501 12.245 ( 21.284 -1.129 -14.316) 25.675 12.771 ( 7.243 -0.896 -15.683) 17.298 13.056 ( 4.376 1.126 7.922) 9.120 13.218 ( 17.131 0.716 1.330) 17.197 15.256 ( 3.886 -1.275 0.613) 4.136 15.514 ( -2.990 -6.601 -11.163) 13.309 16.651 ( 7.465 1.792 11.906) 14.166 16.996 ( 5.383 -2.745 -2.737) 6.633 ======================= Grid point 323 (117/219) ======================= q-point: (-0.44 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -11.068 8.633 -1.800) 14.151 2.203 ( -7.374 1.348 -4.517) 8.752 2.440 ( -5.598 3.082 8.780) 10.859 2.543 ( -4.762 -2.623 2.557) 6.008 2.834 ( -4.806 -2.844 -3.582) 6.635 2.948 ( -2.505 -3.511 -3.117) 5.321 3.168 ( -7.309 -5.158 1.684) 9.103 3.215 ( -10.552 -7.616 -1.691) 13.123 3.432 ( -15.855 -10.759 0.522) 19.168 3.606 ( -12.694 0.143 -5.582) 13.868 4.080 ( -17.587 3.805 0.889) 18.016 4.237 ( -21.341 2.570 -3.037) 21.709 4.367 ( -12.092 10.581 7.036) 17.541 4.707 ( -6.392 5.674 -6.187) 10.552 4.912 ( -11.764 2.022 4.564) 12.780 5.079 ( -3.380 1.307 0.077) 3.625 5.164 ( -4.063 -0.062 4.448) 6.024 5.400 ( 0.738 -4.719 -3.495) 5.919 7.443 ( 0.318 3.489 2.920) 4.560 7.646 ( 0.924 1.968 -4.057) 4.603 8.207 ( -15.157 -12.041 5.485) 20.120 8.517 ( -11.577 -6.086 -4.532) 13.842 8.616 ( -9.347 -1.920 2.219) 9.797 8.929 ( -12.025 2.364 -10.188) 15.937 9.433 ( -8.183 -6.834 0.682) 10.683 9.446 ( -0.282 -7.800 -1.888) 8.030 9.735 ( -8.324 -4.703 3.383) 10.142 9.868 ( -10.271 -7.102 1.905) 12.632 10.125 ( -5.620 -6.656 6.864) 11.091 10.559 ( -3.302 -1.239 -3.489) 4.961 11.213 ( 15.758 1.747 6.881) 17.284 11.675 ( 4.662 1.801 -0.545) 5.028 11.903 ( 9.981 2.165 9.445) 13.911 12.076 ( 10.478 3.061 8.860) 14.059 12.518 ( 7.611 0.806 -15.147) 16.971 12.824 ( -0.359 -0.437 -13.309) 13.321 13.258 ( 18.643 2.387 10.017) 21.298 13.593 ( 22.383 4.149 -4.863) 23.278 15.327 ( 2.606 -3.107 -0.303) 4.066 15.534 ( 0.136 -9.381 -9.828) 13.587 16.792 ( 8.795 1.923 12.100) 15.081 17.133 ( 7.216 -3.877 -2.302) 8.509 ======================= Grid point 324 (118/219) ======================= q-point: (-0.38 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -13.629 12.775 -2.263) 18.816 2.034 ( -9.653 0.609 -9.021) 13.226 2.238 ( -11.839 10.714 11.170) 19.487 2.461 ( -7.331 -3.872 5.626) 10.019 2.716 ( -16.592 -0.861 -4.732) 17.275 2.817 ( -11.937 -1.999 -2.921) 12.450 2.982 ( -7.071 -10.559 1.374) 12.782 3.174 ( -12.029 -15.153 -3.775) 19.712 3.244 ( -4.330 -8.637 1.476) 9.774 3.319 ( -18.383 -0.992 -1.286) 18.454 3.678 ( -19.224 8.549 5.390) 21.718 3.806 ( -23.237 1.276 -2.629) 23.420 3.912 ( -27.208 8.446 2.662) 28.613 4.373 ( -14.985 13.730 -13.701) 24.511 4.889 ( 1.532 1.918 7.068) 7.482 5.013 ( 3.206 6.222 2.351) 7.383 5.264 ( 6.298 -8.201 4.422) 11.246 5.509 ( 5.096 -9.992 -3.861) 11.863 7.421 ( -1.218 1.919 1.683) 2.828 7.610 ( -5.313 0.548 -5.203) 7.457 7.941 ( -18.429 -7.627 6.967) 21.127 8.301 ( -16.008 -6.123 -6.841) 18.454 8.385 ( -14.193 1.629 2.387) 14.484 8.608 ( -21.051 0.863 -4.482) 21.540 9.327 ( -5.101 0.832 1.347) 5.341 9.402 ( -5.200 -6.063 -2.299) 8.312 9.708 ( -5.337 -11.531 1.757) 12.827 9.835 ( -1.517 -12.598 -0.380) 12.695 10.134 ( 4.473 -8.677 8.980) 13.265 10.584 ( 4.811 -3.514 -5.732) 8.267 11.465 ( 9.774 6.266 6.168) 13.147 11.692 ( 2.328 0.260 12.769) 12.982 12.006 ( 7.800 7.923 -6.961) 13.117 12.315 ( 12.102 -1.427 6.840) 13.974 12.572 ( 0.487 3.826 -8.324) 9.174 12.793 ( -1.576 0.966 -9.073) 9.259 13.647 ( 22.867 4.223 5.070) 23.800 13.942 ( 16.560 4.656 -5.928) 18.195 15.418 ( 5.392 -4.418 -1.551) 7.141 15.593 ( -0.135 -8.878 -10.377) 13.657 16.957 ( 9.897 1.144 13.698) 16.938 17.303 ( 8.332 -4.694 -1.442) 9.672 ======================= Grid point 325 (119/219) ======================= q-point: (-0.31 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -12.381 16.955 -2.372) 21.128 1.856 ( -11.200 1.711 -9.395) 14.719 1.881 ( -18.030 8.732 4.204) 20.469 2.154 ( -27.425 -2.211 -2.258) 27.607 2.425 ( -11.022 4.648 6.159) 13.455 2.592 ( -10.646 -1.299 3.380) 11.245 2.844 ( -15.212 -2.677 0.705) 15.462 2.923 ( -20.061 1.499 4.727) 20.665 3.028 ( -14.665 -2.304 0.979) 14.877 3.225 ( -13.465 2.137 2.940) 13.947 3.291 ( -11.610 -4.783 -1.442) 12.639 3.399 ( -16.982 -9.012 -1.902) 19.319 3.563 ( -5.596 -10.854 0.029) 12.212 4.089 ( -6.446 16.531 -21.441) 27.831 4.881 ( 1.646 9.388 11.749) 15.129 5.080 ( 5.331 4.251 0.526) 6.838 5.434 ( 6.031 -9.781 4.451) 12.322 5.675 ( 5.185 -13.438 -3.930) 14.930 7.337 ( -10.427 0.866 -2.358) 10.725 7.356 ( -22.989 -1.962 -3.142) 23.286 7.652 ( -14.415 -0.225 8.046) 16.510 7.992 ( -16.898 -2.369 -7.288) 18.555 8.138 ( -12.630 -0.317 0.331) 12.639 8.218 ( -17.663 -3.376 -0.266) 17.985 9.222 ( -2.522 12.244 3.034) 12.864 9.405 ( 0.985 -8.261 -0.904) 8.368 9.632 ( -7.435 -7.372 -0.293) 10.474 9.861 ( -3.295 -18.142 -5.283) 19.181 10.397 ( 15.838 -9.104 9.830) 20.745 10.739 ( 6.891 -7.079 -3.187) 10.380 11.441 ( -3.129 4.575 12.613) 13.778 11.905 ( 17.599 4.244 3.892) 18.517 12.109 ( 7.257 7.765 -13.368) 17.079 12.428 ( -2.120 1.989 -9.823) 10.244 12.566 ( 3.799 2.728 5.904) 7.532 12.774 ( -0.181 2.289 -1.387) 2.683 14.000 ( 16.646 5.412 1.301) 17.552 14.136 ( 7.164 3.112 -2.484) 8.196 15.510 ( -2.828 -6.489 -2.253) 7.428 15.670 ( 7.657 -3.245 -13.074) 15.495 17.144 ( 10.231 -0.578 16.342) 19.289 17.487 ( 8.076 -5.381 0.208) 9.706 ======================= Grid point 326 (120/219) ======================= q-point: (-0.25 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -6.953 20.796 -1.094) 21.954 1.354 ( -25.728 12.443 5.429) 29.090 1.632 ( -22.522 2.944 -5.271) 23.317 1.768 ( -5.643 -4.485 -17.963) 19.356 2.205 ( -4.342 15.602 12.155) 20.249 2.436 ( -8.667 4.608 -0.291) 9.821 2.488 ( -16.460 7.037 9.388) 20.214 2.651 ( -11.124 -4.573 9.667) 15.431 2.703 ( -13.636 0.731 7.391) 15.528 2.787 ( -17.445 4.233 -1.106) 17.986 3.305 ( -1.989 -13.998 -0.684) 14.155 3.388 ( 0.780 -16.117 -10.370) 19.181 3.620 ( 0.358 -17.778 -0.444) 17.787 3.929 ( -1.713 14.534 -22.462) 26.809 4.848 ( 1.243 11.777 13.943) 18.293 5.132 ( 3.135 6.246 -1.528) 7.154 5.585 ( 3.937 -10.052 5.584) 12.154 5.842 ( 3.951 -14.598 -3.920) 15.623 6.827 ( -30.182 2.407 0.197) 30.278 6.940 ( -25.073 7.566 -4.113) 26.511 7.488 ( -3.775 0.053 5.465) 6.642 7.731 ( -11.362 0.220 -4.306) 12.153 7.948 ( -6.022 -0.160 -0.271) 6.030 8.048 ( -5.238 -1.894 -0.712) 5.615 9.092 ( -1.300 20.235 2.736) 20.461 9.494 ( 3.053 -1.186 -5.997) 6.833 9.554 ( -5.081 -13.508 2.899) 14.720 9.961 ( 0.934 -23.260 -7.763) 24.539 10.758 ( 16.064 -8.482 5.480) 18.974 10.876 ( 2.627 -9.233 -0.180) 9.601 11.386 ( -0.859 1.696 12.603) 12.746 12.166 ( 4.155 8.875 -16.452) 19.149 12.214 ( 16.160 4.211 -1.833) 16.800 12.358 ( -0.115 4.992 -7.778) 9.243 12.590 ( -1.015 2.195 5.482) 5.992 12.721 ( -4.616 4.071 -1.234) 6.277 14.130 ( 0.691 2.139 2.368) 3.265 14.252 ( 7.503 4.911 -1.625) 9.113 15.418 ( -8.001 -4.432 2.829) 9.573 15.849 ( 8.198 0.367 -17.380) 19.220 17.332 ( 8.000 -4.120 19.136) 21.146 17.652 ( 5.676 -6.378 2.494) 8.895 ======================= Grid point 327 (121/219) ======================= q-point: (-0.19 0.19 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 17.044 8.110) 18.875 0.978 ( 0.000 23.101 1.573) 23.155 1.364 ( 0.000 3.492 -6.662) 7.522 1.751 ( -0.000 -3.946 -20.767) 21.139 2.062 ( 0.000 36.169 26.418) 44.790 2.217 ( -0.000 -0.901 2.383) 2.547 2.359 ( -0.000 -1.525 -3.435) 3.758 2.512 ( 0.000 1.087 2.753) 2.960 2.600 ( 0.000 2.146 -1.043) 2.386 2.652 ( -0.000 -9.650 15.240) 18.039 3.364 ( -0.000 -10.440 -6.303) 12.195 3.479 ( -0.000 -12.133 -7.460) 14.243 3.738 ( -0.000 -20.967 -3.949) 21.336 3.853 ( 0.000 7.484 -17.173) 18.733 4.792 ( 0.000 12.646 14.770) 19.444 5.121 ( 0.000 8.160 -2.990) 8.690 5.683 ( -0.000 -9.616 6.893) 11.832 5.972 ( -0.000 -14.235 -4.391) 14.896 6.415 ( 0.000 12.459 2.744) 12.758 6.597 ( 0.000 12.379 -3.883) 12.974 7.459 ( -0.000 -0.540 3.527) 3.568 7.621 ( -0.000 -0.618 -2.402) 2.480 7.883 ( 0.000 4.876 -0.365) 4.889 8.001 ( 0.000 1.770 -0.607) 1.872 8.962 ( 0.000 20.423 -0.226) 20.424 9.458 ( 0.000 11.820 -16.869) 20.598 9.646 ( -0.000 -22.089 10.588) 24.495 10.117 ( -0.000 -25.785 -8.479) 27.143 10.952 ( -0.000 -9.874 0.674) 9.897 10.991 ( -0.000 -9.784 -0.703) 9.809 11.377 ( -0.000 -0.712 11.696) 11.717 12.142 ( 0.000 10.424 -20.159) 22.695 12.374 ( 0.000 2.882 0.445) 2.916 12.399 ( 0.000 2.915 -0.421) 2.945 12.525 ( 0.000 3.397 1.115) 3.575 12.591 ( 0.000 8.661 -4.407) 9.718 14.115 ( 0.000 1.079 4.624) 4.748 14.296 ( 0.000 4.717 -2.342) 5.266 15.344 ( -0.000 -2.473 8.631) 8.978 15.922 ( 0.000 2.483 -19.086) 19.247 17.454 ( -0.000 -8.934 20.532) 22.391 17.749 ( -0.000 -7.241 4.118) 8.330 ======================= Grid point 334 (122/219) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -0.385 -0.000 0.088) 0.395 2.376 ( 3.956 0.000 -0.988) 4.078 2.704 ( -2.313 -0.000 -0.310) 2.333 2.721 ( -2.706 -0.000 0.135) 2.710 3.212 ( -0.082 -0.000 -2.646) 2.648 3.218 ( -3.268 -0.000 0.147) 3.272 3.417 ( -2.946 -0.000 1.952) 3.534 3.527 ( 5.331 0.000 -5.264) 7.492 3.865 ( -14.403 -0.000 -0.122) 14.404 3.883 ( -3.247 -0.000 -2.759) 4.261 4.208 ( 3.036 0.000 7.279) 7.887 4.364 ( 5.162 0.000 0.230) 5.167 4.627 ( -0.114 -0.000 0.972) 0.978 4.815 ( 0.354 0.000 -8.634) 8.641 5.370 ( 1.825 0.000 14.450) 14.565 5.883 ( 2.491 0.000 -6.714) 7.162 5.939 ( 5.156 0.000 -0.310) 5.165 5.970 ( 2.778 0.000 -1.596) 3.203 7.158 ( 6.005 0.000 5.684) 8.269 7.433 ( 1.972 0.000 -4.142) 4.588 8.608 ( -12.871 -0.000 2.447) 13.101 8.810 ( -9.142 -0.000 -6.976) 11.499 9.503 ( -6.246 -0.000 10.915) 12.576 9.510 ( -5.686 -0.000 0.849) 5.749 9.786 ( -5.361 -0.000 -3.876) 6.615 10.142 ( -2.468 -0.000 -8.949) 9.283 10.314 ( 12.229 0.000 5.224) 13.298 10.526 ( 8.212 0.000 -3.764) 9.034 10.607 ( -10.234 -0.000 3.183) 10.718 10.825 ( -3.336 -0.000 -1.833) 3.806 10.920 ( -2.550 -0.000 2.574) 3.624 10.981 ( -14.940 -0.000 3.198) 15.278 11.174 ( 13.751 0.000 6.735) 15.312 11.567 ( 12.855 0.000 -0.866) 12.884 11.611 ( -4.071 -0.000 2.016) 4.542 11.858 ( -8.139 -0.000 -8.829) 12.008 12.990 ( -1.654 -0.000 2.129) 2.696 13.109 ( -1.771 -0.000 -1.945) 2.631 15.208 ( -0.182 -0.000 2.736) 2.743 15.592 ( -2.011 -0.000 -14.814) 14.949 16.405 ( 0.743 0.000 14.574) 14.593 16.821 ( -1.482 -0.000 -4.016) 4.281 ======================= Grid point 335 (123/219) ======================= q-point: (-0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -1.693 -0.615 2.319) 2.936 2.440 ( 2.919 0.423 -1.290) 3.219 2.653 ( -2.702 2.295 -1.302) 3.776 2.676 ( -2.238 -0.960 -0.598) 2.508 3.141 ( -4.426 2.349 1.537) 5.241 3.171 ( -4.651 -1.300 -1.009) 4.934 3.384 ( -1.597 -3.573 2.831) 4.831 3.594 ( -11.127 0.956 1.036) 11.216 3.602 ( 0.050 0.184 -5.323) 5.327 3.835 ( -0.984 -0.527 -9.120) 9.188 4.310 ( 6.971 1.536 9.705) 12.048 4.487 ( 6.786 -0.267 0.273) 6.796 4.587 ( -4.862 -3.265 0.794) 5.910 4.793 ( -2.717 -1.511 -8.791) 9.325 5.350 ( -3.132 2.012 14.035) 14.520 5.821 ( -4.304 10.109 -5.156) 12.137 5.937 ( -6.509 -0.433 -0.510) 6.543 5.977 ( -4.908 -7.401 -2.158) 9.139 7.294 ( 8.055 0.751 3.891) 8.977 7.488 ( 3.808 0.179 -2.978) 4.837 8.401 ( -9.154 -0.982 4.016) 10.045 8.647 ( -8.235 -1.957 -5.722) 10.217 9.258 ( -17.537 -2.201 4.069) 18.136 9.394 ( -6.596 0.199 -4.600) 8.044 9.691 ( -5.403 0.915 1.056) 5.581 10.005 ( -11.302 -0.166 -6.843) 13.213 10.333 ( -6.746 0.813 9.897) 12.005 10.472 ( -10.918 -0.859 3.995) 11.658 10.646 ( 7.928 0.258 1.250) 8.030 10.693 ( -13.859 -1.691 4.646) 14.715 10.893 ( 0.458 0.785 -2.502) 2.662 11.050 ( 20.592 -0.673 -10.186) 22.983 11.413 ( 7.882 5.510 8.117) 12.585 11.507 ( -5.050 -5.342 5.960) 9.463 11.605 ( 4.541 1.517 -1.488) 5.014 12.068 ( 20.987 -1.378 -10.796) 23.642 12.972 ( 0.210 0.565 2.418) 2.492 13.074 ( -2.037 -0.757 -0.881) 2.345 15.204 ( 0.501 2.223 2.097) 3.097 15.555 ( -2.547 -1.350 -13.663) 13.964 16.450 ( 3.943 -0.092 13.225) 13.800 16.826 ( 1.651 -0.674 -3.329) 3.777 ======================= Grid point 336 (124/219) ======================= q-point: (-0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -2.449 -2.380 3.453) 4.857 2.464 ( 0.326 4.103 -2.767) 4.960 2.591 ( -2.527 1.073 0.005) 2.745 2.638 ( -2.770 -1.199 -0.071) 3.019 3.024 ( -6.338 1.620 0.547) 6.565 3.079 ( -6.288 -2.996 -1.700) 7.170 3.313 ( -7.624 3.456 3.302) 8.998 3.460 ( -2.810 -8.751 4.889) 10.411 3.585 ( -3.046 2.277 -6.539) 7.564 3.841 ( -0.491 -1.815 -11.387) 11.541 4.397 ( 0.551 0.800 9.043) 9.095 4.509 ( -1.687 -0.487 1.181) 2.116 4.591 ( 1.720 -3.378 -1.385) 4.036 4.750 ( -1.762 -0.393 -6.278) 6.532 5.241 ( -6.686 2.759 12.431) 14.382 5.635 ( -9.020 10.012 -4.168) 14.106 5.731 ( -15.595 0.581 0.588) 15.616 5.834 ( -13.832 -4.745 -3.068) 14.942 7.423 ( 6.109 2.117 2.639) 6.983 7.564 ( 4.469 0.646 -2.389) 5.109 8.282 ( -5.726 -4.822 4.453) 8.710 8.542 ( -5.005 -5.256 -5.053) 8.844 8.954 ( -15.949 -3.640 3.367) 16.703 9.266 ( -7.272 -1.024 -10.820) 13.077 9.548 ( -8.360 3.467 1.389) 9.156 9.769 ( -13.581 -1.726 -2.980) 14.011 10.195 ( -8.355 2.337 7.274) 11.322 10.287 ( -9.255 -3.565 7.186) 12.248 10.386 ( -17.709 -2.209 3.199) 18.131 10.753 ( 2.451 0.646 9.255) 9.596 10.876 ( -4.667 -1.537 -11.723) 12.711 11.391 ( 13.819 1.445 -9.683) 16.935 11.406 ( 8.257 3.752 10.595) 13.947 11.725 ( 13.039 -2.876 11.559) 17.661 11.806 ( 19.614 0.216 -6.146) 20.555 12.479 ( 20.750 -1.242 -14.887) 25.568 13.009 ( 4.716 -0.486 3.618) 5.964 13.046 ( -1.038 -0.400 2.061) 2.342 15.209 ( 1.596 1.921 1.200) 2.771 15.507 ( -3.966 -2.957 -12.035) 13.012 16.545 ( 6.217 0.609 11.809) 13.360 16.882 ( 3.586 -1.193 -2.698) 4.644 ======================= Grid point 337 (125/219) ======================= q-point: (-0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -3.732 -3.950 2.669) 6.054 2.394 ( -3.799 7.552 -3.315) 9.080 2.530 ( -4.088 1.395 2.095) 4.800 2.593 ( -2.848 -1.882 0.043) 3.414 2.913 ( -5.155 -1.748 -0.749) 5.494 2.974 ( -6.788 -3.280 -3.183) 8.183 3.167 ( -4.965 3.319 5.729) 8.276 3.442 ( -8.897 -5.251 -0.057) 10.331 3.465 ( -7.401 -4.282 -1.010) 8.610 3.787 ( -6.628 -0.610 -9.677) 11.745 4.309 ( -8.201 -2.560 1.424) 8.709 4.511 ( -4.248 -0.583 -5.094) 6.658 4.578 ( -1.177 2.837 5.305) 6.130 4.743 ( 0.507 1.864 -0.160) 1.938 5.105 ( -5.443 0.921 9.914) 11.348 5.365 ( -22.024 2.593 1.284) 22.213 5.407 ( -9.627 6.133 -3.202) 11.856 5.545 ( -17.419 -1.410 -3.901) 17.906 7.486 ( 2.238 3.170 2.533) 4.634 7.636 ( 3.539 1.466 -2.789) 4.738 8.215 ( -6.818 -8.834 4.970) 12.216 8.507 ( -4.140 -8.554 -5.094) 10.782 8.731 ( -9.366 -2.728 3.625) 10.407 9.133 ( -7.774 -0.453 -13.621) 15.690 9.388 ( -5.836 0.638 0.893) 5.938 9.536 ( -12.809 -3.391 -1.543) 13.340 9.979 ( -13.185 2.741 4.091) 14.075 10.062 ( -18.324 -3.572 2.519) 18.838 10.157 ( -7.752 -4.980 8.027) 12.220 10.663 ( -8.406 -0.397 -2.774) 8.861 10.951 ( 11.541 -0.561 7.081) 13.551 11.572 ( 8.075 0.674 -3.401) 8.788 11.649 ( 16.302 2.418 9.072) 18.812 11.952 ( 10.966 0.873 9.818) 14.745 12.237 ( 22.263 -0.412 -14.348) 26.489 12.759 ( 6.996 -1.070 -15.816) 17.327 13.066 ( 5.020 0.709 8.073) 9.533 13.224 ( 19.152 0.332 0.987) 19.180 15.245 ( 2.544 -0.554 -0.303) 2.621 15.447 ( -4.437 -5.095 -9.669) 11.796 16.670 ( 7.771 1.449 10.589) 13.214 16.970 ( 5.005 -1.899 -2.040) 5.729 ======================= Grid point 338 (126/219) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -8.552 0.647 -0.392) 8.586 2.251 ( -6.829 7.525 -3.174) 10.646 2.444 ( -4.593 -1.082 4.808) 6.737 2.535 ( -3.955 0.382 0.010) 3.973 2.838 ( -4.918 1.590 -1.663) 5.430 2.886 ( -3.776 -6.060 -0.898) 7.196 3.096 ( -4.080 -6.295 1.780) 7.710 3.172 ( -19.488 -1.268 -2.234) 19.656 3.323 ( -13.967 -8.301 3.484) 16.617 3.607 ( -12.742 -0.035 -6.291) 14.210 4.118 ( -13.385 2.961 -2.247) 13.891 4.262 ( -19.775 1.788 -4.838) 20.437 4.482 ( -11.122 9.604 8.002) 16.732 4.738 ( -1.008 -0.146 -1.014) 1.438 4.940 ( -18.740 2.893 2.543) 19.132 5.055 ( -0.771 -3.603 3.358) 4.986 5.198 ( -7.938 4.136 -0.306) 8.956 5.354 ( -2.489 -3.373 -3.274) 5.319 7.479 ( -0.654 2.889 2.668) 3.987 7.667 ( 0.504 1.760 -4.074) 4.466 8.088 ( -12.504 -8.769 5.977) 16.400 8.426 ( -10.292 -8.177 -6.235) 14.548 8.618 ( -6.205 0.835 4.210) 7.545 8.962 ( -10.962 3.327 -10.215) 15.349 9.351 ( -3.652 -7.450 -1.368) 8.409 9.361 ( -5.258 -6.661 -0.652) 8.512 9.694 ( -14.864 -2.425 2.374) 15.246 9.800 ( -11.593 -5.211 -0.062) 12.710 10.058 ( -5.446 -5.027 10.060) 12.495 10.550 ( -3.386 -0.444 -5.217) 6.235 11.230 ( 17.560 1.269 9.890) 20.193 11.681 ( 3.084 -0.334 3.374) 4.583 11.922 ( 12.721 1.447 10.023) 16.260 12.122 ( 9.914 4.472 3.529) 11.434 12.530 ( 8.967 1.183 -15.610) 18.041 12.815 ( 0.099 -0.982 -13.409) 13.445 13.285 ( 19.675 2.233 10.866) 22.586 13.635 ( 23.441 3.193 -5.070) 24.195 15.295 ( 1.688 -2.489 -1.541) 3.379 15.431 ( -0.756 -8.402 -8.074) 11.677 16.814 ( 8.758 1.965 10.380) 13.722 17.093 ( 6.750 -3.101 -1.347) 7.550 ======================= Grid point 339 (127/219) ======================= q-point: (-0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -11.739 8.634 -3.114) 14.901 2.063 ( -9.086 5.479 -5.240) 11.834 2.319 ( -10.736 3.276 8.025) 13.798 2.445 ( -5.983 0.914 1.532) 6.243 2.708 ( -13.641 -0.048 -1.872) 13.769 2.790 ( -16.241 -3.082 0.327) 16.534 2.877 ( -2.944 -8.377 -1.390) 8.988 3.005 ( -13.408 -13.700 -3.085) 19.416 3.149 ( -5.789 -7.683 2.952) 10.063 3.310 ( -19.037 -0.654 -2.293) 19.186 3.764 ( -20.248 6.242 0.013) 21.188 3.825 ( -25.035 1.978 -3.080) 25.302 4.035 ( -26.382 13.089 6.781) 30.222 4.524 ( -11.920 12.978 -11.754) 21.182 4.860 ( 2.618 -6.746 7.408) 10.355 5.082 ( 2.495 4.982 1.057) 5.671 5.173 ( 3.836 -7.003 4.149) 8.998 5.408 ( 3.203 -7.736 -3.576) 9.105 7.442 ( -1.963 1.765 1.582) 3.078 7.614 ( -7.130 0.084 -5.106) 8.770 7.871 ( -13.576 -4.708 7.197) 16.070 8.221 ( -16.144 -6.965 -6.212) 18.647 8.414 ( -14.004 2.930 2.851) 14.589 8.634 ( -21.917 3.298 -5.012) 22.723 9.314 ( -1.851 -2.989 -0.187) 3.521 9.340 ( -4.315 -4.095 -0.886) 6.014 9.583 ( -1.982 -10.759 -0.597) 10.957 9.689 ( -6.543 -12.904 -2.327) 14.654 10.055 ( 3.884 -5.447 12.673) 14.331 10.554 ( 3.144 -1.832 -6.032) 7.044 11.531 ( 11.991 5.304 7.292) 15.003 11.695 ( 3.230 0.315 13.132) 13.527 12.083 ( 8.001 5.559 -3.018) 10.199 12.309 ( 10.496 0.255 2.051) 10.698 12.613 ( 2.229 3.309 -6.727) 7.821 12.800 ( -1.063 0.188 -10.368) 10.424 13.696 ( 24.003 4.232 5.425) 24.970 13.992 ( 15.895 4.089 -5.436) 17.290 15.367 ( 4.499 -4.420 -2.588) 6.817 15.492 ( 1.447 -8.678 -9.174) 12.711 16.973 ( 9.470 1.695 11.702) 15.149 17.253 ( 8.018 -4.183 -0.496) 9.057 ======================= Grid point 340 (128/219) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -10.531 14.198 -4.594) 18.265 1.869 ( -8.890 2.850 -8.694) 12.757 1.980 ( -21.259 7.468 5.304) 23.149 2.146 ( -25.809 0.839 -1.897) 25.893 2.460 ( -6.585 1.045 6.553) 9.349 2.574 ( -12.151 -0.794 3.512) 12.674 2.813 ( -11.732 -2.471 -4.237) 12.717 2.905 ( -8.936 -11.483 -0.509) 14.559 2.956 ( -14.923 -4.807 0.316) 15.681 3.106 ( -5.129 -10.975 -2.332) 12.337 3.326 ( -24.028 -1.375 0.368) 24.070 3.437 ( -24.713 4.049 0.203) 25.043 3.482 ( -9.886 8.922 9.298) 16.242 4.282 ( -5.175 17.332 -19.246) 26.412 4.943 ( 2.795 -0.460 10.108) 10.497 5.119 ( 4.288 3.733 3.583) 6.720 5.319 ( 5.160 -10.525 2.003) 11.892 5.531 ( 3.826 -11.480 -4.214) 12.813 7.333 ( -19.029 0.057 -0.327) 19.032 7.369 ( -10.212 2.240 -3.299) 10.963 7.662 ( -11.843 1.563 6.651) 13.672 7.944 ( -14.424 -5.940 -5.155) 16.429 8.135 ( -14.499 -0.158 -0.540) 14.510 8.191 ( -20.796 -1.034 -1.255) 20.860 9.259 ( -5.229 -9.228 1.889) 10.773 9.357 ( 4.015 4.359 1.370) 6.083 9.563 ( -5.913 -7.008 -3.485) 9.809 9.690 ( -0.972 -10.647 -3.544) 11.263 10.293 ( 15.717 -8.962 10.857) 21.100 10.663 ( 4.979 -6.118 -3.460) 8.614 11.506 ( -2.971 6.984 13.738) 15.695 11.950 ( 18.460 3.492 3.951) 19.198 12.188 ( 6.852 6.234 -11.646) 14.881 12.435 ( 1.259 -0.427 -5.177) 5.345 12.607 ( 1.614 4.336 1.947) 5.020 12.794 ( 0.231 1.239 -2.723) 3.000 14.062 ( 16.404 5.401 1.150) 17.309 14.170 ( 6.650 2.821 -1.555) 7.389 15.432 ( -3.006 -7.016 -2.061) 7.906 15.631 ( 10.508 -3.468 -13.936) 17.795 17.144 ( 9.387 0.547 14.115) 16.960 17.428 ( 7.682 -4.997 0.860) 9.205 ======================= Grid point 341 (129/219) ======================= q-point: (-0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -8.128 16.259 -3.064) 18.434 1.496 ( -19.941 13.210 0.922) 23.937 1.656 ( -22.226 0.431 -3.473) 22.500 1.747 ( -4.416 2.648 -13.105) 14.080 2.295 ( -8.132 3.364 3.953) 9.647 2.430 ( -6.932 -2.029 2.239) 7.562 2.553 ( -11.404 -3.319 6.338) 13.463 2.651 ( -10.990 4.956 5.078) 13.082 2.759 ( -13.122 4.007 2.388) 13.926 2.907 ( -17.603 20.100 9.407) 28.326 3.125 ( -4.444 -17.904 -1.727) 18.528 3.174 ( 0.188 -18.701 -7.125) 20.013 3.456 ( -0.609 -11.112 2.742) 11.461 4.120 ( -1.725 18.352 -23.192) 29.625 4.960 ( 1.390 7.003 12.939) 14.778 5.179 ( 3.092 2.027 1.450) 3.971 5.463 ( 3.394 -11.285 2.859) 12.126 5.671 ( 3.057 -14.905 -4.339) 15.822 6.884 ( -22.679 6.974 1.542) 23.777 7.038 ( -20.014 9.316 -4.659) 22.562 7.490 ( -4.547 0.242 5.609) 7.224 7.732 ( -11.832 -0.202 -4.277) 12.583 7.917 ( -5.650 -5.361 -0.301) 7.795 8.004 ( -5.632 -4.919 -1.453) 7.618 9.233 ( -3.133 -7.487 2.410) 8.467 9.395 ( 2.541 7.874 7.816) 11.382 9.512 ( -2.569 -8.571 -8.426) 12.291 9.757 ( 1.705 -9.980 -4.197) 10.960 10.655 ( 15.365 -9.409 4.447) 18.558 10.770 ( 1.546 -9.219 -0.371) 9.355 11.431 ( -0.975 6.438 14.000) 15.440 12.257 ( 9.987 4.267 -7.817) 13.381 12.258 ( 10.053 6.282 -8.079) 14.345 12.406 ( -0.566 3.442 -6.688) 7.543 12.616 ( -0.476 2.299 5.107) 5.620 12.760 ( -3.311 2.705 -1.910) 4.683 14.156 ( -0.106 2.452 2.991) 3.869 14.307 ( 7.658 4.780 -2.206) 9.293 15.369 ( -5.736 -4.143 2.614) 7.543 15.843 ( 8.891 -1.305 -19.085) 21.095 17.302 ( 6.723 -1.445 16.607) 17.974 17.581 ( 5.100 -5.987 2.608) 8.286 ======================= Grid point 342 (130/219) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 14.539 5.002) 15.376 1.246 ( 0.000 23.434 -5.440) 24.057 1.403 ( 0.000 3.175 -4.424) 5.446 1.711 ( -0.000 -1.987 -17.838) 17.948 2.207 ( -0.000 -0.899 2.024) 2.215 2.344 ( -0.000 -1.182 -3.520) 3.713 2.432 ( 0.000 19.119 21.678) 28.904 2.525 ( 0.000 1.237 2.943) 3.192 2.606 ( 0.000 10.664 15.985) 19.216 2.622 ( 0.000 1.871 -1.175) 2.210 3.197 ( -0.000 -17.441 -0.635) 17.453 3.295 ( -0.000 -20.143 -10.265) 22.608 3.529 ( -0.000 -15.165 1.422) 15.232 4.004 ( 0.000 17.019 -24.003) 29.424 4.923 ( 0.000 10.186 13.986) 17.303 5.192 ( 0.000 4.107 -0.568) 4.146 5.562 ( -0.000 -11.478 4.419) 12.299 5.796 ( -0.000 -16.459 -4.325) 17.018 6.566 ( 0.000 13.872 2.656) 14.124 6.745 ( 0.000 13.602 -3.969) 14.169 7.452 ( -0.000 -0.551 3.628) 3.670 7.613 ( -0.000 -0.666 -2.327) 2.421 7.895 ( -0.000 -2.151 -1.315) 2.521 7.985 ( -0.000 -4.512 -1.436) 4.735 9.191 ( 0.000 14.555 2.365) 14.746 9.414 ( -0.000 -13.204 8.759) 15.845 9.532 ( -0.000 -0.843 -8.947) 8.987 9.854 ( -0.000 -18.078 -6.129) 19.089 10.837 ( -0.000 -10.376 0.693) 10.399 10.876 ( -0.000 -10.305 -0.717) 10.330 11.393 ( 0.000 3.865 13.325) 13.874 12.252 ( 0.000 8.837 -18.852) 20.820 12.405 ( 0.000 2.475 0.451) 2.515 12.430 ( 0.000 2.526 -0.432) 2.562 12.564 ( 0.000 3.316 1.697) 3.725 12.674 ( 0.000 5.915 -5.231) 7.896 14.134 ( 0.000 2.122 4.893) 5.333 14.349 ( 0.000 4.632 -2.986) 5.511 15.320 ( -0.000 -1.834 7.024) 7.260 15.934 ( -0.000 -0.107 -20.865) 20.866 17.385 ( -0.000 -3.790 18.266) 18.655 17.669 ( -0.000 -6.878 3.651) 7.787 ======================= Grid point 351 (131/219) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -2.821 -0.000 4.456) 5.274 2.488 ( 1.872 0.000 -1.893) 2.662 2.609 ( -3.451 -0.000 -2.349) 4.175 2.619 ( -3.046 -0.000 -0.560) 3.097 3.042 ( -7.753 -0.000 -0.223) 7.756 3.055 ( -6.096 -0.000 -0.118) 6.097 3.344 ( -2.105 -0.000 3.416) 4.012 3.398 ( -7.921 -0.000 5.600) 9.700 3.598 ( -3.055 -0.000 -5.679) 6.448 3.830 ( -0.162 -0.000 -12.662) 12.663 4.397 ( -2.832 -0.000 7.898) 8.391 4.514 ( 2.748 0.000 3.377) 4.354 4.567 ( 0.316 0.000 -2.999) 3.015 4.749 ( -0.428 -0.000 -6.098) 6.113 5.257 ( -7.190 -0.000 13.214) 15.043 5.707 ( -11.013 -0.000 -5.059) 12.120 5.738 ( -14.352 -0.000 -0.489) 14.360 5.787 ( -12.908 -0.000 -1.585) 13.005 7.435 ( 6.218 0.000 2.468) 6.690 7.568 ( 4.570 0.000 -2.306) 5.119 8.255 ( -6.424 -0.000 4.476) 7.830 8.512 ( -5.355 -0.000 -5.005) 7.329 8.933 ( -15.626 -0.000 3.658) 16.049 9.260 ( -7.494 -0.000 -11.175) 13.455 9.569 ( -8.276 -0.000 0.959) 8.331 9.759 ( -13.933 -0.000 -2.137) 14.096 10.212 ( -7.458 -0.000 5.616) 9.336 10.262 ( -10.178 -0.000 7.841) 12.848 10.373 ( -17.976 -0.000 3.712) 18.355 10.757 ( 3.103 0.000 9.357) 9.858 10.867 ( -5.286 -0.000 -11.830) 12.957 11.396 ( 13.523 0.000 -9.361) 16.447 11.433 ( 7.461 0.000 11.379) 13.607 11.705 ( 15.129 0.000 10.818) 18.599 11.809 ( 18.470 0.000 -6.025) 19.428 12.471 ( 21.049 0.000 -15.248) 25.991 13.007 ( 4.516 0.000 3.640) 5.800 13.043 ( -0.747 -0.000 2.074) 2.204 15.222 ( 0.847 0.000 0.713) 1.107 15.489 ( -4.130 -0.000 -11.337) 12.066 16.548 ( 6.413 0.000 11.428) 13.104 16.875 ( 3.600 0.000 -2.551) 4.413 ======================= Grid point 353 (132/219) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -3.624 -1.656 4.978) 6.376 2.471 ( -3.590 5.152 -4.493) 7.721 2.542 ( -3.175 0.705 0.300) 3.266 2.566 ( -2.898 -2.815 -0.245) 4.048 2.899 ( -6.950 -0.543 -0.815) 7.019 2.939 ( -6.357 -2.049 -3.202) 7.407 3.233 ( -5.665 7.554 5.679) 11.018 3.336 ( -5.293 -9.336 6.147) 12.367 3.466 ( -11.227 0.340 -3.754) 11.843 3.783 ( -6.077 -0.195 -10.490) 12.125 4.289 ( -6.351 -0.885 -0.152) 6.414 4.495 ( -7.355 -1.139 -8.798) 11.524 4.611 ( 4.769 1.855 8.298) 9.749 4.756 ( -0.742 0.529 0.425) 1.005 5.111 ( -7.237 0.182 11.275) 13.399 5.384 ( -21.263 0.860 0.803) 21.296 5.471 ( -13.378 5.019 -3.589) 14.732 5.519 ( -15.502 -3.184 -3.971) 16.316 7.511 ( 2.146 1.166 2.288) 3.347 7.648 ( 3.776 0.545 -2.696) 4.672 8.147 ( -6.805 -3.117 5.171) 9.097 8.441 ( -4.123 -3.056 -5.096) 7.232 8.708 ( -8.191 -1.141 3.909) 9.147 9.128 ( -6.615 -0.348 -13.710) 15.226 9.396 ( -9.155 0.506 -0.067) 9.169 9.511 ( -13.035 -1.098 -0.543) 13.093 10.008 ( -14.119 2.011 1.474) 14.338 10.034 ( -18.275 -1.257 2.055) 18.434 10.110 ( -7.413 -2.767 10.619) 13.242 10.657 ( -8.743 -0.340 -4.977) 10.066 10.948 ( 12.257 -0.075 9.692) 15.626 11.576 ( 7.280 0.189 -2.225) 7.615 11.668 ( 15.207 0.810 10.615) 18.563 11.961 ( 12.759 0.479 7.156) 14.637 12.234 ( 22.859 -0.079 -14.343) 26.987 12.750 ( 7.052 -0.463 -16.072) 17.557 13.071 ( 5.314 0.227 8.248) 9.814 13.226 ( 20.292 0.083 0.857) 20.310 15.242 ( 1.518 -0.053 -0.922) 1.777 15.405 ( -5.114 -1.998 -8.796) 10.369 16.682 ( 7.954 0.560 9.873) 12.690 16.955 ( 4.811 -0.687 -1.623) 5.124 ======================= Grid point 354 (133/219) ======================= q-point: (-0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -5.765 -1.392 3.040) 6.665 2.332 ( -7.454 4.997 -4.511) 10.044 2.446 ( -5.256 2.290 2.220) 6.148 2.539 ( -2.322 -0.182 -1.095) 2.574 2.807 ( -4.435 -4.657 -0.817) 6.483 2.854 ( -4.460 -1.772 -3.997) 6.245 3.062 ( -10.623 0.298 2.768) 10.982 3.162 ( -19.520 -0.641 -1.327) 19.575 3.248 ( -10.344 -4.878 6.802) 13.306 3.604 ( -13.084 -0.565 -5.239) 14.106 4.147 ( -10.665 2.037 -4.896) 11.910 4.276 ( -17.541 0.654 -6.301) 18.649 4.581 ( -9.084 7.824 7.823) 14.315 4.714 ( -2.328 -3.706 3.324) 5.495 4.969 ( -16.620 1.791 2.950) 16.975 5.020 ( -6.612 -2.154 1.889) 7.206 5.238 ( -6.621 2.806 -2.027) 7.471 5.324 ( -5.364 -2.039 -2.848) 6.406 7.506 ( -1.324 1.753 2.532) 3.352 7.684 ( 0.021 1.036 -4.117) 4.246 8.012 ( -10.382 -4.634 6.187) 12.944 8.350 ( -8.771 -4.813 -6.286) 11.815 8.625 ( -3.839 0.362 4.718) 6.093 8.998 ( -8.924 2.740 -10.240) 13.857 9.276 ( -3.650 -5.216 -1.805) 6.618 9.301 ( -8.851 -3.808 -0.341) 9.641 9.682 ( -17.514 0.490 0.682) 17.534 9.746 ( -14.578 -4.346 -1.406) 15.277 10.015 ( -4.153 -2.541 12.776) 13.672 10.547 ( -3.049 -0.111 -6.327) 7.024 11.241 ( 18.524 0.684 11.688) 21.914 11.675 ( 2.895 -0.628 5.731) 6.451 11.936 ( 13.349 0.928 10.025) 16.720 12.165 ( 10.069 2.824 0.599) 10.475 12.542 ( 9.755 0.903 -16.135) 18.876 12.804 ( 0.303 -0.815 -13.193) 13.222 13.306 ( 20.574 1.343 11.465) 23.591 13.664 ( 24.320 1.786 -5.057) 24.905 15.274 ( 1.227 -1.022 -2.536) 2.997 15.352 ( -1.742 -5.381 -6.985) 8.988 16.833 ( 8.819 1.280 9.240) 12.837 17.065 ( 6.350 -1.787 -0.604) 6.624 ======================= Grid point 355 (134/219) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -9.555 3.684 -0.551) 10.256 2.146 ( -8.878 6.784 -5.565) 12.482 2.332 ( -7.576 1.055 4.873) 9.070 2.472 ( -4.452 3.019 -1.259) 5.524 2.698 ( -19.862 -1.964 -0.102) 19.959 2.763 ( -12.914 -1.686 0.292) 13.027 2.781 ( -5.021 -8.438 -1.934) 10.008 2.883 ( -11.911 -7.642 -2.091) 14.306 3.080 ( -8.164 -4.121 4.957) 10.402 3.303 ( -19.440 -0.666 -2.166) 19.572 3.816 ( -22.573 3.124 -3.963) 23.130 3.849 ( -26.321 2.110 -2.736) 26.546 4.201 ( -20.535 15.914 8.538) 27.347 4.667 ( -7.806 12.166 -9.621) 17.364 4.746 ( -1.188 -12.869 8.246) 15.330 5.049 ( 3.446 -9.098 -2.253) 9.986 5.174 ( 0.700 5.052 4.216) 6.617 5.336 ( 2.582 -5.110 -2.333) 6.183 7.459 ( -2.540 1.335 1.567) 3.269 7.611 ( -8.669 -0.386 -4.275) 9.673 7.831 ( -9.810 -2.441 6.269) 11.896 8.155 ( -15.133 -4.506 -5.753) 16.805 8.445 ( -14.764 2.384 3.325) 15.320 8.675 ( -22.992 3.585 -4.910) 23.782 9.281 ( 0.309 -2.024 -0.681) 2.158 9.306 ( -0.338 -2.218 -0.912) 2.422 9.468 ( -1.547 -9.212 -1.531) 9.466 9.553 ( -10.532 -10.597 -3.725) 15.398 10.009 ( 3.065 -2.724 14.787) 15.345 10.540 ( 1.806 -0.674 -6.313) 6.601 11.584 ( 15.666 3.871 8.015) 18.018 11.697 ( 2.987 0.021 13.085) 13.422 12.131 ( 8.805 3.083 2.586) 9.681 12.317 ( 7.782 0.983 -4.156) 8.877 12.645 ( 3.466 2.293 -5.729) 7.078 12.799 ( -0.578 -0.212 -10.874) 10.891 13.739 ( 24.814 3.208 5.788) 25.681 14.032 ( 15.329 2.930 -4.867) 16.348 15.322 ( 2.736 -3.493 -3.323) 5.543 15.405 ( 3.897 -6.308 -8.760) 11.477 16.993 ( 9.182 1.612 10.176) 13.801 17.211 ( 7.756 -3.062 0.387) 8.348 ======================= Grid point 356 (135/219) ======================= q-point: (-0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -10.040 7.538 -3.212) 12.959 1.927 ( -11.083 6.185 -5.860) 13.979 2.062 ( -18.117 7.822 2.453) 19.885 2.170 ( -23.984 3.183 -1.832) 24.263 2.452 ( -4.086 -1.456 4.281) 6.094 2.584 ( -13.377 1.747 1.978) 13.635 2.708 ( -5.584 -18.326 -2.537) 19.325 2.776 ( -7.441 -5.352 -2.920) 9.619 2.917 ( -17.339 -3.243 1.080) 17.672 3.013 ( -7.193 -6.309 -1.479) 9.681 3.323 ( -27.602 0.442 -0.985) 27.623 3.380 ( -21.143 -4.967 -2.676) 21.883 3.739 ( -14.572 26.262 12.837) 32.663 4.478 ( -3.405 17.211 -15.735) 23.567 4.850 ( 2.257 -14.881 8.434) 17.253 5.179 ( 2.726 5.772 6.631) 9.204 5.191 ( 4.473 -12.017 -2.138) 12.999 5.429 ( 3.425 -6.351 -3.440) 7.994 7.343 ( -17.130 1.404 0.457) 17.194 7.391 ( -6.989 1.556 -2.414) 7.556 7.682 ( -9.457 1.678 4.438) 10.581 7.871 ( -14.920 -6.149 -2.529) 16.334 8.134 ( -15.893 -0.174 -0.977) 15.924 8.192 ( -24.431 0.926 -2.198) 24.547 9.155 ( -9.243 -7.450 1.773) 12.003 9.362 ( -1.271 -5.477 -6.146) 8.330 9.490 ( 1.114 -2.993 1.419) 3.495 9.619 ( 6.660 -3.620 -1.963) 7.831 10.202 ( 14.638 -6.926 12.171) 20.257 10.605 ( 2.938 -4.184 -3.711) 6.317 11.594 ( -1.093 8.213 14.157) 16.403 11.981 ( 18.817 1.944 3.495) 19.237 12.248 ( 6.389 4.252 -8.000) 11.086 12.423 ( 2.470 -1.603 -4.403) 5.297 12.657 ( 0.710 4.231 0.500) 4.319 12.802 ( 0.401 0.205 -3.963) 3.988 14.120 ( 16.010 4.696 1.063) 16.718 14.197 ( 6.141 1.935 -0.672) 6.474 15.357 ( -2.203 -6.020 -1.928) 6.694 15.594 ( 12.324 -2.993 -14.997) 19.641 17.154 ( 8.785 1.055 12.368) 15.207 17.376 ( 7.483 -3.989 1.549) 8.620 ======================= Grid point 357 (136/219) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -13.150 8.025 -0.612) 15.418 1.641 ( -11.191 8.888 -4.535) 14.994 1.655 ( -19.575 2.698 -1.732) 19.836 1.841 ( -5.427 13.196 -8.075) 16.395 2.316 ( -11.761 0.823 2.426) 12.037 2.409 ( -3.508 -1.312 4.048) 5.515 2.518 ( -13.142 -2.029 -0.299) 13.301 2.681 ( -11.549 0.058 2.579) 11.834 2.750 ( -6.850 -7.200 -1.292) 10.022 2.905 ( -10.548 -14.180 -5.418) 18.485 2.967 ( -6.105 -12.231 3.826) 14.195 3.150 ( -7.618 3.445 -2.870) 8.840 3.435 ( -3.440 15.548 14.080) 21.256 4.334 ( -1.188 19.264 -20.175) 27.921 4.961 ( 1.661 -8.930 10.362) 13.780 5.201 ( 2.225 3.135 6.476) 7.531 5.332 ( 3.042 -12.007 -0.952) 12.423 5.528 ( 2.290 -9.490 -4.769) 10.865 6.971 ( -17.290 7.877 2.013) 19.106 7.141 ( -16.015 8.496 -5.084) 18.828 7.494 ( -5.696 0.573 5.747) 8.111 7.723 ( -10.011 -1.898 -4.085) 10.978 7.838 ( -8.427 -7.187 1.255) 11.147 7.951 ( -6.974 -4.404 -2.711) 8.682 9.075 ( -5.526 -13.888 2.409) 15.140 9.355 ( -4.152 -15.563 -9.807) 18.858 9.550 ( 6.003 13.051 5.483) 15.377 9.719 ( 3.607 0.187 1.580) 3.942 10.552 ( 15.291 -8.526 4.023) 17.963 10.673 ( 0.551 -7.753 -0.556) 7.792 11.530 ( -0.014 10.873 14.491) 18.117 12.287 ( 13.509 1.731 -2.508) 13.848 12.326 ( 5.617 4.949 -10.291) 12.725 12.433 ( -0.160 1.256 -5.011) 5.169 12.643 ( -0.862 2.439 4.008) 4.770 12.782 ( -2.525 1.196 -2.304) 3.622 14.183 ( -0.590 2.178 3.399) 4.080 14.357 ( 7.411 3.924 -2.677) 8.803 15.326 ( -3.301 -3.462 2.121) 5.233 15.823 ( 9.239 -1.991 -20.479) 22.555 17.294 ( 6.049 -0.112 14.625) 15.827 17.519 ( 4.803 -4.881 2.898) 7.436 ======================= Grid point 358 (137/219) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 11.131 2.793) 11.476 1.435 ( 0.000 2.453 -2.518) 3.515 1.481 ( 0.000 16.695 -8.338) 18.661 1.737 ( 0.000 8.154 -11.470) 14.073 2.197 ( -0.000 -0.849 1.879) 2.062 2.333 ( -0.000 -0.651 -3.582) 3.641 2.449 ( -0.000 -3.386 11.672) 12.153 2.539 ( 0.000 1.117 3.011) 3.211 2.641 ( 0.000 1.476 -1.267) 1.945 2.890 ( 0.000 15.666 12.565) 20.082 2.983 ( -0.000 -17.336 -4.107) 17.816 3.080 ( -0.000 -10.951 -3.499) 11.497 3.400 ( -0.000 -5.928 5.816) 8.305 4.213 ( 0.000 19.425 -22.634) 29.827 4.998 ( 0.000 0.929 12.479) 12.513 5.215 ( 0.000 0.795 3.720) 3.804 5.430 ( -0.000 -11.820 1.041) 11.865 5.618 ( -0.000 -13.868 -5.095) 14.774 6.721 ( 0.000 13.232 2.511) 13.468 6.896 ( 0.000 12.736 -4.069) 13.370 7.447 ( -0.000 -0.451 3.779) 3.806 7.606 ( -0.000 -0.591 -2.233) 2.310 7.836 ( -0.000 -8.192 -0.651) 8.218 7.920 ( -0.000 -5.859 -2.072) 6.215 9.111 ( -0.000 -16.667 2.813) 16.902 9.401 ( -0.000 -13.969 -8.749) 16.483 9.527 ( 0.000 15.349 5.599) 16.338 9.756 ( -0.000 -1.271 0.965) 1.596 10.723 ( -0.000 -9.470 0.708) 9.496 10.764 ( -0.000 -9.430 -0.724) 9.458 11.470 ( 0.000 9.756 14.325) 17.332 12.336 ( 0.000 5.789 -15.865) 16.888 12.429 ( 0.000 1.809 0.460) 1.867 12.455 ( 0.000 1.870 -0.445) 1.923 12.598 ( 0.000 2.547 1.899) 3.177 12.725 ( 0.000 3.231 -4.914) 5.881 14.159 ( 0.000 2.220 4.913) 5.391 14.398 ( 0.000 3.940 -3.573) 5.319 15.302 ( -0.000 -1.385 5.359) 5.535 15.924 ( -0.000 -1.588 -22.227) 22.284 17.359 ( -0.000 -1.257 16.020) 16.070 17.597 ( -0.000 -5.793 3.615) 6.828 ======================= Grid point 369 (138/219) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -4.662 -0.000 4.243) 6.304 2.355 ( -9.038 -0.000 -4.365) 10.037 2.477 ( -4.485 -0.000 0.631) 4.530 2.530 ( -1.134 -0.000 -1.027) 1.530 2.778 ( -5.424 -0.000 -1.026) 5.521 2.838 ( -4.053 -0.000 -4.951) 6.399 3.071 ( -14.954 -0.000 1.644) 15.044 3.158 ( -19.009 -0.000 -0.752) 19.024 3.218 ( -7.340 -0.000 9.022) 11.631 3.599 ( -13.271 -0.000 -4.531) 14.023 4.160 ( -9.807 -0.000 -5.943) 11.467 4.279 ( -16.442 -0.000 -6.925) 17.841 4.653 ( -3.366 -0.000 9.738) 10.304 4.665 ( -8.646 -0.000 2.647) 9.042 4.977 ( -8.325 -0.000 6.219) 10.391 5.010 ( -15.768 -0.000 -1.635) 15.852 5.256 ( -5.072 -0.000 -2.736) 5.763 5.311 ( -7.316 -0.000 -2.453) 7.717 7.516 ( -1.570 -0.000 2.488) 2.942 7.689 ( -0.231 -0.000 -4.119) 4.125 7.986 ( -9.540 -0.000 6.226) 11.392 8.322 ( -8.162 -0.000 -6.286) 10.302 8.627 ( -2.840 -0.000 4.938) 5.696 9.016 ( -7.544 -0.000 -10.384) 12.835 9.244 ( -4.976 -0.000 -1.694) 5.256 9.279 ( -9.844 -0.000 -0.305) 9.849 9.700 ( -18.268 -0.000 -0.970) 18.294 9.707 ( -15.915 -0.000 -0.924) 15.942 10.001 ( -3.459 -0.000 13.750) 14.179 10.547 ( -2.859 -0.000 -6.711) 7.295 11.245 ( 18.821 0.000 12.280) 22.473 11.671 ( 2.933 0.000 6.480) 7.113 11.942 ( 13.466 0.000 9.967) 16.753 12.182 ( 10.153 0.000 -0.296) 10.158 12.548 ( 10.025 0.000 -16.382) 19.206 12.799 ( 0.337 0.000 -13.041) 13.046 13.313 ( 20.937 0.000 11.685) 23.977 13.674 ( 24.673 0.000 -5.022) 25.179 15.270 ( 1.459 0.000 -2.811) 3.167 15.319 ( -2.540 -0.000 -6.730) 7.193 16.841 ( 8.872 0.000 8.837) 12.522 17.054 ( 6.176 0.000 -0.317) 6.184 ======================= Grid point 371 (139/219) ======================= q-point: (-0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -6.977 2.027 1.373) 7.394 2.176 ( -9.843 -0.445 -4.896) 11.002 2.374 ( -5.181 4.916 1.589) 7.316 2.492 ( -3.296 0.004 -2.081) 3.897 2.680 ( -20.498 -0.631 -0.306) 20.510 2.703 ( -8.427 -4.251 -1.527) 9.561 2.744 ( -15.784 -1.322 0.486) 15.846 2.825 ( -8.095 -2.838 -2.773) 9.015 3.057 ( -10.483 -0.541 6.591) 12.394 3.296 ( -19.365 -0.386 -1.632) 19.437 3.839 ( -24.368 0.959 -5.316) 24.960 3.867 ( -26.709 0.862 -2.784) 26.868 4.388 ( -13.366 16.802 8.352) 23.038 4.578 ( -6.301 -16.004 8.503) 19.186 4.803 ( -4.376 11.642 -6.259) 13.923 4.933 ( -0.110 -10.891 -4.580) 11.816 5.230 ( 1.043 4.471 2.233) 5.105 5.286 ( 2.857 -3.979 -0.593) 4.934 7.470 ( -2.889 0.518 1.565) 3.327 7.607 ( -9.360 -0.253 -3.474) 9.987 7.813 ( -8.216 -0.795 5.408) 9.868 8.122 ( -14.203 -1.444 -5.747) 15.390 8.465 ( -15.294 0.924 3.865) 15.802 8.707 ( -24.044 1.646 -4.679) 24.550 9.267 ( 6.726 -0.705 -0.363) 6.772 9.298 ( 5.868 0.800 -1.888) 6.216 9.385 ( -11.173 -4.695 -1.042) 12.164 9.462 ( -11.617 -4.662 -4.997) 13.478 9.990 ( 2.592 -0.797 15.667) 15.900 10.536 ( 1.104 -0.144 -6.481) 6.576 11.615 ( 19.916 1.562 8.322) 21.641 11.696 ( 1.019 -0.159 12.967) 13.008 12.154 ( 9.396 0.963 6.531) 11.484 12.326 ( 5.804 0.506 -8.419) 10.238 12.663 ( 4.101 0.826 -5.271) 6.729 12.797 ( -0.261 -0.147 -10.954) 10.958 13.765 ( 25.255 1.209 6.032) 25.994 14.055 ( 14.974 1.088 -4.484) 15.669 15.293 ( 0.699 -1.421 -3.498) 3.840 15.356 ( 6.367 -2.246 -8.944) 11.206 17.007 ( 9.060 0.711 9.330) 13.024 17.186 ( 7.586 -1.185 0.944) 7.736 ======================= Grid point 372 (140/219) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -10.045 5.347 -0.911) 11.416 1.975 ( -13.048 1.972 -5.134) 14.160 2.153 ( -20.539 6.557 0.152) 21.561 2.216 ( -15.366 5.286 -1.727) 16.341 2.436 ( -4.698 -1.882 0.395) 5.076 2.513 ( -6.537 -12.240 -0.770) 13.898 2.615 ( -13.765 1.550 2.163) 14.020 2.703 ( -5.118 -6.495 0.128) 8.270 2.895 ( -17.281 -0.571 -1.040) 17.321 2.948 ( -7.586 -5.249 -1.693) 9.379 3.326 ( -28.415 -0.319 -2.398) 28.518 3.344 ( -26.672 -1.257 -1.669) 26.753 4.045 ( -9.299 27.404 11.579) 31.169 4.623 ( -1.255 -16.607 8.502) 18.699 4.680 ( -0.861 10.867 -11.594) 15.915 5.035 ( 2.210 -14.686 -4.906) 15.641 5.247 ( 3.130 5.257 4.818) 7.788 5.376 ( 3.871 -3.556 -1.392) 5.437 7.358 ( -15.425 1.166 0.741) 15.487 7.403 ( -5.195 0.598 -1.589) 5.465 7.693 ( -6.387 0.214 2.439) 6.840 7.819 ( -17.565 -2.779 -0.933) 17.808 8.132 ( -17.323 -0.114 -0.903) 17.347 8.205 ( -26.571 1.051 -2.429) 26.702 9.098 ( -12.164 -2.710 0.565) 12.475 9.280 ( -8.423 -6.666 -7.303) 12.989 9.480 ( 11.498 -0.212 2.600) 11.790 9.588 ( 11.158 -2.057 -2.027) 11.526 10.141 ( 13.237 -3.615 13.383) 19.168 10.570 ( 1.379 -2.035 -3.837) 4.557 11.680 ( 1.320 6.185 14.226) 15.568 11.993 ( 18.815 0.322 2.565) 18.992 12.284 ( 5.922 2.059 -2.053) 6.598 12.405 ( 2.383 -1.371 -7.509) 7.997 12.698 ( 0.748 2.851 0.959) 3.100 12.800 ( 0.261 -0.444 -5.436) 5.461 14.165 ( 16.341 3.151 0.943) 16.669 14.212 ( 4.997 0.607 0.063) 5.035 15.302 ( -1.262 -3.513 -1.888) 4.184 15.567 ( 13.379 -1.751 -15.848) 20.814 17.166 ( 8.356 0.882 11.263) 14.052 17.340 ( 7.446 -2.339 2.069) 8.074 ======================= Grid point 373 (141/219) ======================= q-point: (-0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -13.477 4.269 0.110) 14.137 1.657 ( -17.772 0.898 -2.190) 17.929 1.768 ( -10.048 11.051 -1.795) 15.044 2.006 ( -3.470 13.830 -8.692) 16.699 2.317 ( -12.752 -0.488 1.998) 12.916 2.403 ( -2.601 -0.256 2.232) 3.437 2.495 ( -13.034 -4.654 -3.804) 14.354 2.554 ( -2.172 -14.771 -0.069) 14.930 2.697 ( -9.027 -2.574 2.346) 9.676 2.821 ( -10.021 -4.040 -0.734) 10.830 2.876 ( -17.008 -2.682 0.677) 17.231 3.070 ( -5.318 -11.579 -5.664) 13.945 3.747 ( -4.262 32.625 15.302) 36.286 4.550 ( -0.501 18.512 -14.894) 23.765 4.773 ( 0.919 -22.176 8.106) 23.629 5.156 ( 1.384 -14.512 -0.488) 14.586 5.274 ( 2.649 4.449 3.154) 6.063 5.457 ( 2.349 -3.923 -2.893) 5.411 7.051 ( -13.792 5.932 2.085) 15.157 7.221 ( -12.785 5.530 -5.274) 14.895 7.503 ( -7.301 1.012 5.645) 9.285 7.677 ( -4.559 -5.615 -1.428) 7.372 7.786 ( -15.222 -1.915 0.258) 15.344 7.904 ( -8.405 -3.660 -3.545) 9.829 8.949 ( -6.868 -8.229 1.245) 10.790 9.202 ( -4.882 -10.824 -9.846) 15.426 9.664 ( 8.575 7.076 4.442) 11.972 9.727 ( 4.605 0.699 4.455) 6.445 10.469 ( 15.508 -5.967 3.949) 17.079 10.599 ( -0.340 -5.102 -0.685) 5.159 11.663 ( 1.816 11.628 13.932) 18.237 12.294 ( 11.841 -0.536 -3.212) 12.281 12.370 ( 5.727 2.728 -6.043) 8.761 12.436 ( 0.941 -0.462 -3.441) 3.597 12.671 ( -1.925 2.391 2.680) 4.075 12.788 ( -1.985 0.082 -2.849) 3.473 14.204 ( -0.949 1.471 3.673) 4.069 14.394 ( 7.036 2.553 -3.021) 8.072 15.293 ( -1.203 -2.307 1.629) 3.069 15.802 ( 9.392 -1.690 -21.504) 23.527 17.296 ( 5.605 0.357 13.374) 14.505 17.473 ( 4.722 -3.266 3.141) 6.545 ======================= Grid point 374 (142/219) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.000 7.427 1.257) 7.533 1.458 ( 0.000 1.605 -1.131) 1.963 1.626 ( 0.000 11.087 -5.432) 12.347 1.893 ( 0.000 16.780 -10.378) 19.730 2.188 ( -0.000 -0.699 1.927) 2.050 2.328 ( -0.000 -0.212 -3.637) 3.643 2.418 ( -0.000 -2.192 5.156) 5.603 2.550 ( 0.000 0.828 3.023) 3.135 2.656 ( 0.000 1.011 -1.326) 1.667 2.693 ( -0.000 -23.463 -3.063) 23.662 2.850 ( -0.000 -13.138 3.509) 13.598 3.089 ( -0.000 -6.530 -6.426) 9.161 3.530 ( 0.000 28.897 17.063) 33.559 4.436 ( 0.000 19.747 -18.524) 27.076 4.900 ( -0.000 -17.763 9.439) 20.115 5.226 ( -0.000 -3.294 7.931) 8.588 5.302 ( -0.000 -6.667 -3.134) 7.367 5.506 ( -0.000 -5.967 -4.328) 7.372 6.857 ( 0.000 10.462 2.321) 10.716 7.025 ( 0.000 9.780 -4.178) 10.635 7.443 ( -0.000 -0.248 3.977) 3.985 7.601 ( -0.000 -0.409 -2.134) 2.172 7.729 ( -0.000 -9.638 1.068) 9.697 7.857 ( -0.000 -5.364 -3.232) 6.262 8.943 ( -0.000 -12.249 1.802) 12.381 9.226 ( -0.000 -14.047 -10.563) 17.575 9.689 ( 0.000 10.844 6.061) 12.422 9.767 ( 0.000 2.433 4.843) 5.420 10.627 ( -0.000 -7.262 0.717) 7.297 10.668 ( -0.000 -7.248 -0.725) 7.285 11.606 ( 0.000 13.618 14.073) 19.583 12.377 ( 0.000 1.197 -11.466) 11.529 12.446 ( 0.000 1.124 0.471) 1.218 12.472 ( 0.000 1.179 -0.458) 1.265 12.622 ( 0.000 1.871 1.374) 2.321 12.750 ( 0.000 1.335 -4.475) 4.670 14.182 ( 0.000 1.710 4.892) 5.182 14.437 ( 0.000 2.810 -4.074) 4.949 15.289 ( -0.000 -0.893 3.963) 4.062 15.903 ( -0.000 -1.912 -23.286) 23.364 17.352 ( -0.000 -0.188 14.490) 14.491 17.540 ( -0.000 -4.209 3.688) 5.596 ======================= Grid point 387 (143/219) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.882 -0.000 0.026) 10.882 1.982 ( -11.461 -0.000 -5.948) 12.913 2.190 ( -23.996 -0.000 0.904) 24.013 2.258 ( -11.008 -0.000 -3.462) 11.540 2.419 ( -8.998 -0.000 1.105) 9.065 2.438 ( -3.928 -0.000 -0.377) 3.946 2.639 ( -14.903 -0.000 2.258) 15.073 2.651 ( -2.942 -0.000 0.116) 2.944 2.903 ( -3.544 -0.000 -2.722) 4.468 2.905 ( -21.044 -0.000 -0.523) 21.051 3.321 ( -28.814 -0.000 -2.832) 28.953 3.340 ( -28.378 -0.000 -1.268) 28.406 4.330 ( -4.863 -0.000 8.802) 10.056 4.373 ( -4.351 -0.000 11.902) 12.673 4.842 ( 0.186 0.000 -5.085) 5.088 4.878 ( 0.741 0.000 -12.525) 12.547 5.284 ( 2.813 0.000 4.435) 5.252 5.351 ( 4.356 0.000 -0.462) 4.380 7.366 ( -14.896 -0.000 0.784) 14.917 7.406 ( -4.547 -0.000 -1.273) 4.722 7.692 ( -5.192 -0.000 1.772) 5.486 7.805 ( -18.687 -0.000 -0.548) 18.695 8.131 ( -17.965 -0.000 -0.757) 17.981 8.212 ( -27.269 -0.000 -2.430) 27.377 9.085 ( -13.648 -0.000 -0.146) 13.649 9.239 ( -9.001 -0.000 -6.691) 11.215 9.478 ( 13.808 0.000 2.293) 13.997 9.576 ( 12.881 0.000 -2.153) 13.060 10.121 ( 12.591 0.000 13.869) 18.732 10.558 ( 0.805 0.000 -3.866) 3.949 11.718 ( 2.471 0.000 14.318) 14.530 11.994 ( 18.722 0.000 1.944) 18.822 12.295 ( 5.666 0.000 1.913) 5.980 12.396 ( 2.229 0.000 -10.392) 10.628 12.716 ( 0.975 0.000 1.804) 2.051 12.796 ( 0.053 0.000 -6.534) 6.534 14.185 ( 18.192 0.000 0.798) 18.210 14.214 ( 2.809 0.000 0.444) 2.844 15.282 ( -0.858 -0.000 -1.888) 2.074 15.557 ( 13.733 0.000 -16.172) 21.216 17.171 ( 8.184 0.000 10.894) 13.626 17.326 ( 7.463 0.000 2.254) 7.796 ======================= Grid point 389 (144/219) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 512 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -13.428 1.486 0.186) 13.511 1.665 ( -18.301 0.367 -1.542) 18.370 1.898 ( -6.652 10.374 -2.468) 12.569 2.097 ( -4.140 -0.120 -9.723) 10.568 2.309 ( -10.914 -0.113 1.634) 11.036 2.361 ( -3.208 -4.697 2.749) 6.317 2.422 ( -3.500 -1.800 0.227) 3.943 2.496 ( -13.153 -1.911 -2.430) 13.511 2.663 ( -5.528 -1.838 3.276) 6.684 2.823 ( -11.745 3.629 -2.249) 12.497 2.864 ( -18.700 -0.718 -1.203) 18.753 2.944 ( -7.030 -8.893 -3.830) 11.966 4.118 ( -2.356 32.148 12.603) 34.610 4.469 ( -0.638 -28.575 11.190) 30.694 4.768 ( 0.261 17.689 -11.646) 21.180 4.973 ( 0.930 -16.894 -7.885) 18.667 5.323 ( 2.149 2.981 4.758) 6.012 5.424 ( 2.627 -1.869 -1.210) 3.444 7.098 ( -12.019 2.180 2.029) 12.383 7.263 ( -10.745 1.794 -5.175) 12.061 7.515 ( -9.004 0.744 5.279) 10.464 7.624 ( -3.061 -2.858 0.632) 4.235 7.778 ( -17.312 -0.119 -0.872) 17.334 7.874 ( -9.357 -1.512 -3.804) 10.213 8.888 ( -7.717 -2.581 0.483) 8.151 9.118 ( -4.908 -3.798 -9.705) 11.519 9.716 ( 9.700 2.473 4.107) 10.820 9.731 ( 5.393 -0.125 5.577) 7.759 10.422 ( 15.697 -2.148 3.998) 16.340 10.560 ( -0.908 -1.766 -0.742) 2.120 11.767 ( 3.541 5.550 13.119) 14.678 12.280 ( 9.999 -1.226 -3.225) 10.577 12.389 ( 6.027 0.830 -1.792) 6.342 12.430 ( 1.746 -0.338 -4.390) 4.737 12.692 ( -2.823 1.131 2.238) 3.776 12.786 ( -1.505 -0.206 -3.577) 3.886 14.215 ( -1.161 0.518 3.821) 4.027 14.413 ( 6.769 0.882 -3.209) 7.543 15.275 ( 0.031 -0.808 1.328) 1.555 15.788 ( 9.443 -0.654 -22.050) 23.996 17.300 ( 5.338 0.217 12.830) 13.898 17.447 ( 4.751 -1.177 3.221) 5.860 ======================= Grid point 390 (145/219) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 272 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.000 3.696 0.324) 3.710 1.471 ( 0.000 0.779 -0.311) 0.839 1.766 ( 0.000 13.805 -3.436) 14.226 2.052 ( 0.000 8.205 -12.391) 14.861 2.182 ( -0.000 -0.402 2.051) 2.090 2.327 ( -0.000 -0.014 -3.678) 3.678 2.373 ( -0.000 -6.237 2.684) 6.790 2.481 ( -0.000 -11.754 0.148) 11.755 2.557 ( 0.000 0.439 3.018) 3.050 2.664 ( 0.000 0.511 -1.358) 1.451 2.739 ( -0.000 -5.269 2.487) 5.826 2.971 ( -0.000 -11.282 -6.197) 12.872 3.905 ( 0.000 34.515 14.648) 37.495 4.614 ( -0.000 -14.325 7.195) 16.030 4.679 ( 0.000 5.956 -11.365) 12.832 5.079 ( -0.000 -16.738 -4.229) 17.264 5.324 ( 0.000 4.190 4.229) 5.953 5.462 ( -0.000 -2.634 -2.123) 3.383 6.950 ( 0.000 5.821 2.135) 6.201 7.111 ( 0.000 5.221 -4.258) 6.737 7.441 ( -0.000 -0.040 4.159) 4.159 7.597 ( -0.000 -0.191 -2.052) 2.061 7.637 ( -0.000 -6.006 2.139) 6.376 7.804 ( -0.000 -3.630 -3.868) 5.305 8.840 ( -0.000 -5.975 0.934) 6.048 9.103 ( -0.000 -7.414 -10.700) 13.017 9.755 ( 0.000 1.995 8.545) 8.775 9.812 ( 0.000 4.310 3.961) 5.854 10.563 ( -0.000 -3.959 0.721) 4.024 10.604 ( -0.000 -3.958 -0.724) 4.024 11.754 ( 0.000 11.264 12.807) 17.056 12.366 ( -0.000 -2.452 -6.716) 7.149 12.455 ( 0.000 0.524 0.479) 0.709 12.482 ( 0.000 0.556 -0.468) 0.727 12.641 ( 0.000 1.327 0.382) 1.381 12.759 ( 0.000 0.377 -4.454) 4.470 14.196 ( 0.000 0.907 4.890) 4.974 14.461 ( 0.000 1.445 -4.434) 4.663 15.281 ( -0.000 -0.412 3.040) 3.068 15.884 ( -0.000 -1.248 -23.972) 24.005 17.352 ( 0.000 0.110 13.730) 13.730 17.503 ( -0.000 -2.249 3.668) 4.303 ======================= Grid point 406 (146/219) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.000 0.007) 0.007 1.475 ( 0.000 0.000 -0.042) 0.042 1.886 ( 0.000 0.000 -4.764) 4.764 2.049 ( 0.000 0.000 -10.140) 10.140 2.180 ( 0.000 0.000 2.113) 2.113 2.327 ( 0.000 0.000 -3.694) 3.694 2.368 ( 0.000 0.000 2.010) 2.010 2.392 ( 0.000 0.000 1.286) 1.286 2.560 ( 0.000 0.000 3.015) 3.015 2.667 ( 0.000 0.000 -1.367) 1.367 2.723 ( 0.000 0.000 0.259) 0.259 2.891 ( 0.000 0.000 -5.143) 5.143 4.268 ( -0.000 -0.000 10.960) 10.960 4.305 ( 0.000 0.000 13.384) 13.384 4.856 ( -0.000 -0.000 -6.065) 6.065 4.900 ( 0.000 0.000 -13.764) 13.764 5.352 ( 0.000 0.000 4.784) 4.784 5.445 ( 0.000 0.000 -1.295) 1.295 6.984 ( 0.000 0.000 2.053) 2.053 7.141 ( 0.000 0.000 -4.279) 4.279 7.441 ( 0.000 0.000 4.229) 4.229 7.596 ( 0.000 0.000 -2.020) 2.020 7.602 ( 0.000 0.000 2.477) 2.477 7.782 ( 0.000 0.000 -4.052) 4.052 8.807 ( 0.000 0.000 0.624) 0.624 9.061 ( 0.000 0.000 -10.716) 10.716 9.764 ( 0.000 0.000 9.391) 9.391 9.838 ( 0.000 0.000 3.635) 3.635 10.540 ( 0.000 0.000 0.722) 0.722 10.581 ( 0.000 0.000 -0.722) 0.722 11.825 ( 0.000 0.000 12.003) 12.003 12.346 ( 0.000 0.000 -4.597) 4.597 12.458 ( 0.000 0.000 0.482) 0.482 12.485 ( 0.000 0.000 -0.472) 0.472 12.649 ( 0.000 0.000 0.006) 0.006 12.761 ( 0.000 0.000 -4.574) 4.574 14.202 ( 0.000 0.000 4.895) 4.895 14.469 ( 0.000 0.000 -4.567) 4.567 15.279 ( 0.000 0.000 2.718) 2.718 15.877 ( 0.000 0.000 -24.211) 24.211 17.353 ( 0.000 0.000 13.537) 13.537 17.490 ( 0.000 0.000 3.616) 3.616 ======================= Grid point 530 (147/219) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 0.000 -18.042) 18.042 0.957 ( 0.000 0.000 18.042) 18.042 1.310 ( 0.000 0.000 -26.934) 26.934 1.310 ( 0.000 0.000 26.934) 26.934 2.135 ( 0.000 0.000 -44.955) 44.955 2.135 ( 0.000 0.000 44.955) 44.955 2.321 ( 0.000 0.000 -3.698) 3.698 2.321 ( 0.000 0.000 3.698) 3.698 2.526 ( 0.000 0.000 -0.815) 0.815 2.526 ( 0.000 0.000 0.815) 0.815 3.530 ( 0.000 0.000 -11.179) 11.179 3.530 ( 0.000 0.000 11.179) 11.179 4.145 ( 0.000 0.000 -0.198) 0.198 4.145 ( 0.000 0.000 0.198) 0.198 4.731 ( 0.000 0.000 -9.422) 9.422 4.731 ( 0.000 0.000 9.422) 9.422 6.048 ( 0.000 0.000 -9.616) 9.616 6.048 ( 0.000 0.000 9.616) 9.616 6.264 ( 0.000 0.000 -4.493) 4.493 6.264 ( 0.000 0.000 4.493) 4.493 7.557 ( 0.000 0.000 -4.042) 4.042 7.557 ( 0.000 0.000 4.042) 4.042 7.630 ( 0.000 0.000 -2.508) 2.508 7.630 ( 0.000 0.000 2.508) 2.508 8.592 ( 0.000 0.000 -17.757) 17.757 8.592 ( 0.000 0.000 17.757) 17.757 10.446 ( 0.000 0.000 -13.778) 13.778 10.446 ( 0.000 0.000 13.778) 13.778 11.169 ( 0.000 0.000 -0.920) 0.920 11.169 ( 0.000 0.000 0.920) 0.920 11.650 ( 0.000 0.000 -10.168) 10.168 11.650 ( 0.000 0.000 10.168) 10.168 12.319 ( 0.000 0.000 -0.603) 0.603 12.319 ( 0.000 0.000 0.603) 0.603 12.430 ( 0.000 0.000 -3.012) 3.012 12.430 ( 0.000 0.000 3.012) 3.012 14.160 ( 0.000 0.000 -0.287) 0.287 14.160 ( 0.000 0.000 0.287) 0.287 15.598 ( 0.000 0.000 -6.523) 6.523 15.598 ( 0.000 0.000 6.523) 6.523 17.965 ( 0.000 0.000 -4.942) 4.942 17.965 ( 0.000 0.000 4.942) 4.942 ======================= Grid point 532 (148/219) ======================= q-point: ( 0.06 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 24.086 0.265 -15.346) 28.560 1.277 ( 24.086 0.265 15.346) 28.560 1.378 ( 10.288 -0.165 -23.635) 25.778 1.378 ( 10.288 -0.165 23.635) 25.778 2.213 ( 9.330 -4.579 -33.085) 34.679 2.213 ( 9.330 -4.579 33.085) 34.679 2.516 ( 18.200 -1.503 -4.232) 18.746 2.516 ( 18.200 -1.503 4.232) 18.746 2.657 ( 13.257 -1.124 -0.769) 13.326 2.657 ( 13.257 -1.124 0.769) 13.326 3.468 ( -3.680 2.829 -12.197) 13.050 3.468 ( -3.680 2.829 12.197) 13.050 4.096 ( -2.442 7.364 -2.032) 8.020 4.096 ( -2.442 7.364 2.032) 8.020 4.710 ( -2.563 -5.536 -8.678) 10.608 4.710 ( -2.563 -5.536 8.678) 10.608 5.997 ( -4.325 2.088 -9.222) 10.398 5.997 ( -4.325 2.088 9.222) 10.398 6.894 ( 48.303 4.114 -7.506) 49.056 6.894 ( 48.303 4.114 7.506) 49.056 7.627 ( 10.388 1.274 -4.384) 11.347 7.627 ( 10.388 1.274 4.384) 11.347 7.754 ( 10.785 -9.551 -2.914) 14.698 7.754 ( 10.785 -9.551 2.914) 14.698 8.658 ( 6.042 -5.175 -17.697) 19.403 8.658 ( 6.042 -5.175 17.697) 19.403 10.419 ( -0.501 7.166 -13.330) 15.142 10.419 ( -0.501 7.166 13.330) 15.142 11.057 ( -11.583 1.397 -3.426) 12.160 11.057 ( -11.583 1.397 3.426) 12.160 11.634 ( -1.948 -0.726 -10.745) 10.945 11.634 ( -1.948 -0.726 10.745) 10.945 12.070 ( -13.405 -1.726 -0.940) 13.548 12.070 ( -13.405 -1.726 0.940) 13.548 12.620 ( 8.272 -0.689 -1.171) 8.383 12.620 ( 8.272 -0.689 1.171) 8.383 14.109 ( -5.979 -0.687 -1.834) 6.291 14.109 ( -5.979 -0.687 1.834) 6.291 15.606 ( 0.678 0.200 -4.426) 4.482 15.606 ( 0.678 0.200 4.426) 4.482 17.824 ( -12.422 2.554 -1.582) 12.780 17.824 ( -12.422 2.554 1.582) 12.780 ======================= Grid point 534 (149/219) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 14.009 6.553 -21.521) 26.502 1.527 ( 14.009 6.553 21.521) 26.502 1.779 ( 17.735 -10.803 -18.429) 27.765 1.779 ( 17.735 -10.803 18.429) 27.765 2.569 ( 26.012 2.718 -12.420) 28.953 2.569 ( 26.012 2.718 12.420) 28.953 2.933 ( 23.024 -3.976 -9.255) 25.131 2.933 ( 23.024 -3.976 9.255) 25.131 3.013 ( 22.072 -6.270 -4.213) 23.329 3.013 ( 22.072 -6.270 4.213) 23.329 3.412 ( 0.915 4.445 -11.043) 11.939 3.412 ( 0.915 4.445 11.043) 11.939 3.990 ( -2.682 11.330 -3.155) 12.063 3.990 ( -2.682 11.330 3.155) 12.063 4.710 ( -2.038 -8.916 -7.185) 11.631 4.710 ( -2.038 -8.916 7.185) 11.631 5.865 ( -7.907 3.977 -8.799) 12.480 5.865 ( -7.907 3.977 8.799) 12.480 7.388 ( 10.026 2.789 -5.582) 11.809 7.388 ( 10.026 2.789 5.582) 11.809 7.910 ( 17.457 3.857 -2.698) 18.081 7.910 ( 17.457 3.857 2.698) 18.081 8.227 ( 30.531 -0.396 -6.466) 31.211 8.227 ( 30.531 -0.396 6.466) 31.211 8.904 ( 15.856 -10.488 -16.829) 25.389 8.904 ( 15.856 -10.488 16.829) 25.389 10.360 ( 0.812 13.709 -10.678) 17.396 10.360 ( 0.812 13.709 10.678) 17.396 10.764 ( -17.267 -0.531 -9.443) 19.687 10.764 ( -17.267 -0.531 9.443) 19.687 11.571 ( -6.906 -3.503 -11.505) 13.868 11.571 ( -6.906 -3.503 11.505) 13.868 11.950 ( -0.324 -2.338 -11.266) 11.511 11.950 ( -0.324 -2.338 11.266) 11.511 12.705 ( 0.909 -0.134 -2.026) 2.225 12.705 ( 0.909 -0.134 2.026) 2.225 13.937 ( -13.162 -1.647 -4.849) 14.123 13.937 ( -13.162 -1.647 4.849) 14.123 15.607 ( -0.497 1.028 -0.710) 1.344 15.607 ( -0.497 1.028 0.710) 1.344 17.551 ( -14.002 2.539 -7.597) 16.131 17.551 ( -14.002 2.539 7.597) 16.131 ======================= Grid point 536 (150/219) ======================= q-point: ( 0.19 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 13.822 3.878 -15.638) 21.228 1.761 ( 13.822 3.878 15.638) 21.228 2.123 ( 13.140 -12.588 -17.501) 25.247 2.123 ( 13.140 -12.588 17.501) 25.247 2.948 ( 14.043 11.260 -7.314) 19.428 2.948 ( 14.043 11.260 7.314) 19.428 3.374 ( 18.663 -2.816 -6.659) 20.015 3.374 ( 18.663 -2.816 6.659) 20.015 3.394 ( 14.357 -0.619 -5.815) 15.502 3.394 ( 14.357 -0.619 5.815) 15.502 3.626 ( 26.212 -5.051 -5.063) 27.170 3.626 ( 26.212 -5.051 5.063) 27.170 3.909 ( 2.407 8.983 -2.499) 9.630 3.909 ( 2.407 8.983 2.499) 9.630 4.738 ( 0.008 -8.753 -3.905) 9.585 4.738 ( 0.008 -8.753 3.905) 9.585 5.668 ( -10.161 4.838 -8.068) 13.847 5.668 ( -10.161 4.838 8.068) 13.847 7.465 ( 0.813 -0.416 -6.307) 6.373 7.465 ( 0.813 -0.416 6.307) 6.373 8.219 ( 16.918 -0.051 -4.142) 17.418 8.219 ( 16.918 -0.051 4.142) 17.418 8.660 ( 20.024 9.388 -8.162) 23.573 8.660 ( 20.024 9.388 8.162) 23.573 9.285 ( 17.271 -6.182 -8.510) 20.222 9.285 ( 17.271 -6.182 8.510) 20.222 10.261 ( -5.980 11.544 -4.723) 13.832 10.261 ( -5.980 11.544 4.723) 13.832 10.541 ( -2.806 2.938 -10.268) 11.042 10.541 ( -2.806 2.938 10.268) 11.042 11.417 ( -12.207 -6.874 -11.658) 18.226 11.417 ( -12.207 -6.874 11.658) 18.226 12.042 ( 6.862 -2.129 -17.353) 18.781 12.042 ( 6.862 -2.129 17.353) 18.781 12.662 ( -4.942 1.796 -6.392) 8.277 12.662 ( -4.942 1.796 6.392) 8.277 13.654 ( -17.677 -2.216 -5.343) 18.599 13.654 ( -17.677 -2.216 5.343) 18.599 15.573 ( -2.250 1.665 -5.098) 5.816 15.573 ( -2.250 1.665 5.098) 5.816 17.298 ( -11.672 2.112 -10.341) 15.736 17.298 ( -11.672 2.112 10.341) 15.736 ======================= Grid point 538 (151/219) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 11.019 -0.302 -9.267) 14.401 1.985 ( 11.019 -0.302 9.267) 14.401 2.419 ( 11.713 -9.316 -13.106) 19.893 2.419 ( 11.713 -9.316 13.106) 19.893 2.992 ( 1.031 10.279 -7.919) 13.016 2.992 ( 1.031 10.279 7.919) 13.016 3.515 ( 1.160 5.971 -4.670) 7.669 3.515 ( 1.160 5.971 4.670) 7.669 3.709 ( 17.068 6.198 -2.606) 18.345 3.709 ( 17.068 6.198 2.606) 18.345 4.051 ( 12.981 -8.145 -4.032) 15.846 4.051 ( 12.981 -8.145 4.032) 15.846 4.199 ( 26.962 -2.062 -10.614) 29.050 4.199 ( 26.962 -2.062 10.614) 29.050 4.831 ( 5.789 -7.441 -1.628) 9.567 4.831 ( 5.789 -7.441 1.628) 9.567 5.460 ( -8.078 4.070 -6.688) 11.249 5.460 ( -8.078 4.070 6.688) 11.249 7.452 ( -2.445 -1.907 -6.883) 7.549 7.452 ( -2.445 -1.907 6.883) 7.549 8.530 ( 15.643 -1.277 -4.808) 16.415 8.530 ( 15.643 -1.277 4.808) 16.415 8.912 ( 14.010 11.726 -9.380) 20.538 8.912 ( 14.010 11.726 9.380) 20.538 9.589 ( 12.880 -0.293 -1.910) 13.024 9.589 ( 12.880 -0.293 1.910) 13.024 10.069 ( -5.365 6.103 -9.239) 12.305 10.069 ( -5.365 6.103 9.239) 12.305 10.570 ( 6.042 7.639 -10.420) 14.264 10.570 ( 6.042 7.639 10.420) 14.264 11.218 ( -13.343 -8.579 -10.450) 18.996 11.218 ( -13.343 -8.579 10.450) 18.996 12.150 ( 1.467 -0.683 -16.802) 16.880 12.150 ( 1.467 -0.683 16.802) 16.880 12.506 ( -9.934 2.489 -15.554) 18.622 12.506 ( -9.934 2.489 15.554) 18.622 13.351 ( -14.695 -2.087 -4.727) 15.577 13.351 ( -14.695 -2.087 4.727) 15.577 15.509 ( -3.429 1.974 -7.643) 8.607 15.509 ( -3.429 1.974 7.643) 8.607 17.092 ( -9.410 1.939 -11.108) 14.686 17.092 ( -9.410 1.939 11.108) 14.686 ======================= Grid point 540 (152/219) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 7.370 -2.831 -4.317) 8.999 2.166 ( 7.370 -2.831 4.317) 8.999 2.631 ( 6.187 -2.233 -7.588) 10.042 2.631 ( 6.187 -2.233 7.588) 10.042 2.969 ( 3.273 5.012 -3.731) 7.054 2.969 ( 3.273 5.012 3.731) 7.054 3.455 ( -1.664 7.251 -3.056) 8.042 3.455 ( -1.664 7.251 3.056) 8.042 3.930 ( 9.511 5.466 -2.922) 11.352 3.930 ( 9.511 5.466 2.922) 11.352 4.280 ( 4.456 -8.792 -4.706) 10.923 4.280 ( 4.456 -8.792 4.706) 10.923 4.622 ( 18.989 2.728 -4.822) 19.781 4.622 ( 18.989 2.728 4.822) 19.781 4.996 ( 3.820 -6.943 -5.591) 9.698 4.996 ( 3.820 -6.943 5.591) 9.698 5.426 ( 9.002 -0.404 -3.768) 9.767 5.426 ( 9.002 -0.404 3.768) 9.767 7.407 ( -3.653 -3.157 -6.944) 8.457 7.407 ( -3.653 -3.157 6.944) 8.457 8.785 ( 9.611 -0.609 -6.372) 11.547 8.785 ( 9.611 -0.609 6.372) 11.547 9.076 ( 12.562 13.427 -3.043) 18.638 9.076 ( 12.562 13.427 3.043) 18.638 9.681 ( 0.725 6.881 -6.586) 9.553 9.681 ( 0.725 6.881 6.586) 9.553 10.135 ( 13.267 0.172 -12.375) 18.143 10.135 ( 13.267 0.172 12.375) 18.143 10.630 ( 3.899 4.524 -7.781) 9.809 10.630 ( 3.899 4.524 7.781) 9.809 11.038 ( -10.031 -6.406 -8.740) 14.766 11.038 ( -10.031 -6.406 8.740) 14.766 12.009 ( -15.032 5.411 -14.871) 21.826 12.009 ( -15.032 5.411 14.871) 21.826 12.324 ( -9.518 -3.224 -18.743) 21.267 12.324 ( -9.518 -3.224 18.743) 21.267 13.167 ( -6.046 -0.597 -3.636) 7.080 13.167 ( -6.046 -0.597 3.636) 7.080 15.429 ( -3.751 2.179 -8.753) 9.769 15.429 ( -3.751 2.179 8.753) 9.769 16.926 ( -7.344 1.482 -10.963) 13.278 16.926 ( -7.344 1.482 10.963) 13.278 ======================= Grid point 542 (153/219) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.857 -2.768 -1.039) 4.860 2.287 ( 3.857 -2.768 1.039) 4.860 2.669 ( 0.154 3.111 -1.596) 3.500 2.669 ( 0.154 3.111 1.596) 3.500 3.067 ( 6.238 -0.351 -2.620) 6.776 3.067 ( 6.238 -0.351 2.620) 6.776 3.410 ( 1.456 4.696 -2.431) 5.484 3.410 ( 1.456 4.696 2.431) 5.484 3.988 ( 0.148 5.969 -2.157) 6.349 3.988 ( 0.148 5.969 2.157) 6.349 4.318 ( -2.588 -4.110 -4.876) 6.883 4.318 ( -2.588 -4.110 4.876) 6.883 4.905 ( 10.960 -4.943 -0.744) 12.046 4.905 ( 10.960 -4.943 0.744) 12.046 5.057 ( 3.646 2.156 -4.481) 6.166 5.057 ( 3.646 2.156 4.481) 6.166 5.724 ( 16.782 -4.511 -4.310) 17.905 5.724 ( 16.782 -4.511 4.310) 17.905 7.358 ( -3.539 -3.477 -6.899) 8.497 7.358 ( -3.539 -3.477 6.899) 8.497 8.838 ( -1.339 5.978 -6.889) 9.219 8.838 ( -1.339 5.978 6.889) 9.219 9.272 ( 14.614 8.835 -3.162) 17.367 9.272 ( 14.614 8.835 3.162) 17.367 9.698 ( 6.105 4.708 -10.972) 13.410 9.698 ( 6.105 4.708 10.972) 13.410 10.390 ( 10.481 -1.460 -14.466) 17.924 10.390 ( 10.481 -1.460 14.466) 17.924 10.659 ( 0.347 -0.109 -6.675) 6.685 10.659 ( 0.347 -0.109 6.675) 6.685 10.944 ( -1.208 -1.239 -9.464) 9.621 10.944 ( -1.208 -1.239 9.464) 9.621 11.645 ( -18.346 4.644 -12.551) 22.708 11.645 ( -18.346 4.644 12.551) 22.708 12.141 ( -12.249 -2.825 -15.929) 20.291 12.141 ( -12.249 -2.825 15.929) 20.291 13.098 ( -2.346 0.742 -0.596) 2.532 13.098 ( -2.346 0.742 0.596) 2.532 15.350 ( -3.283 2.109 -10.333) 11.046 15.350 ( -3.283 2.109 10.333) 11.046 16.806 ( -4.876 0.565 -10.315) 11.423 16.806 ( -4.876 0.565 10.315) 11.423 ======================= Grid point 544 (154/219) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 1.201 -0.964 -0.899) 1.783 2.342 ( 1.201 -0.964 0.899) 1.783 2.657 ( 0.162 1.071 -2.088) 2.352 2.657 ( 0.162 1.071 2.088) 2.352 3.135 ( 1.330 1.156 -4.679) 5.000 3.135 ( 1.330 1.156 4.679) 5.000 3.481 ( 6.867 -0.280 -1.976) 7.151 3.481 ( 6.867 -0.280 1.976) 7.151 3.888 ( -6.022 6.133 -2.059) 8.838 3.888 ( -6.022 6.133 2.059) 8.838 4.289 ( -2.099 -3.101 -5.825) 6.925 4.289 ( -2.099 -3.101 5.825) 6.925 5.070 ( 0.507 -14.033 -2.482) 14.260 5.070 ( 0.507 -14.033 2.482) 14.260 5.128 ( 8.237 12.587 -1.176) 15.089 5.128 ( 8.237 12.587 1.176) 15.089 6.006 ( 10.120 -3.094 -4.560) 11.522 6.006 ( 10.120 -3.094 4.560) 11.522 7.319 ( -2.257 -2.290 -6.974) 7.680 7.319 ( -2.257 -2.290 6.974) 7.680 8.749 ( -2.952 5.497 -7.383) 9.667 8.749 ( -2.952 5.497 7.383) 9.667 9.463 ( 8.985 4.749 -3.314) 10.690 9.463 ( 8.985 4.749 3.314) 10.690 9.844 ( 10.596 2.844 -10.533) 15.209 9.844 ( 10.596 2.844 10.533) 15.209 10.457 ( -5.471 -6.697 -13.213) 15.791 10.457 ( -5.471 -6.697 13.213) 15.791 10.668 ( 2.456 3.489 -3.335) 5.416 10.668 ( 2.456 3.489 3.335) 5.416 11.010 ( 5.601 1.515 -7.286) 9.314 11.010 ( 5.601 1.515 7.286) 9.314 11.352 ( -9.515 0.525 -9.223) 13.262 11.352 ( -9.515 0.525 9.223) 13.262 11.922 ( -11.337 -0.676 -11.857) 16.418 11.922 ( -11.337 -0.676 11.857) 16.418 13.055 ( -1.672 0.942 -4.307) 4.715 13.055 ( -1.672 0.942 4.307) 4.715 15.290 ( -1.984 1.365 -12.344) 12.577 15.290 ( -1.984 1.365 12.344) 12.577 16.738 ( -2.278 -0.072 -9.614) 9.881 16.738 ( -2.278 -0.072 9.614) 9.881 ======================= Grid point 546 (155/219) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.000 -0.000 -1.183) 1.183 2.354 ( 0.000 -0.000 1.183) 1.183 2.657 ( 0.000 -0.000 -2.287) 2.287 2.657 ( 0.000 -0.000 2.287) 2.287 3.138 ( 0.000 -0.000 -5.026) 5.026 3.138 ( 0.000 -0.000 5.026) 5.026 3.587 ( -0.000 0.000 -0.050) 0.050 3.587 ( 0.000 -0.000 0.050) 0.050 3.774 ( 0.000 -0.000 -4.413) 4.413 3.774 ( 0.000 -0.000 4.413) 4.413 4.279 ( 0.000 -0.000 -6.017) 6.017 4.279 ( 0.000 -0.000 6.017) 6.017 5.108 ( -0.000 -0.000 -1.481) 1.481 5.108 ( -0.000 -0.000 1.481) 1.481 5.177 ( 0.000 0.000 -0.853) 0.853 5.177 ( 0.000 0.000 0.853) 0.853 6.112 ( 0.000 -0.000 -4.694) 4.694 6.112 ( 0.000 -0.000 4.694) 4.694 7.304 ( 0.000 -0.000 -7.062) 7.062 7.304 ( 0.000 -0.000 7.062) 7.062 8.703 ( 0.000 -0.000 -8.115) 8.115 8.703 ( 0.000 -0.000 8.115) 8.115 9.534 ( 0.000 -0.000 -6.737) 6.737 9.534 ( 0.000 -0.000 6.737) 6.737 9.966 ( 0.000 -0.000 -11.448) 11.448 9.966 ( 0.000 -0.000 11.448) 11.448 10.389 ( 0.000 -0.000 -4.469) 4.469 10.389 ( 0.000 -0.000 4.469) 4.469 10.686 ( 0.000 -0.000 -5.075) 5.075 10.686 ( 0.000 -0.000 5.075) 5.075 11.044 ( 0.000 -0.000 -1.599) 1.599 11.044 ( 0.000 -0.000 1.599) 1.599 11.298 ( 0.000 -0.000 -7.813) 7.813 11.298 ( 0.000 -0.000 7.813) 7.813 11.796 ( 0.000 -0.000 -6.243) 6.243 11.796 ( 0.000 -0.000 6.243) 6.243 13.035 ( 0.000 -0.000 -5.792) 5.792 13.035 ( 0.000 -0.000 5.791) 5.791 15.266 ( 0.000 -0.000 -13.234) 13.234 15.266 ( 0.000 -0.000 13.234) 13.234 16.718 ( 0.000 -0.000 -9.316) 9.316 16.718 ( 0.000 -0.000 9.316) 9.316 ======================= Grid point 566 (156/219) ======================= q-point: ( 0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 14.395 0.000 -20.347) 24.924 1.592 ( 14.395 0.000 20.347) 24.924 1.690 ( 16.110 0.000 -19.931) 25.627 1.690 ( 16.110 0.000 19.931) 25.627 2.588 ( 30.355 0.000 -15.746) 34.196 2.588 ( 30.355 0.000 15.746) 34.196 2.901 ( 21.320 0.000 -6.022) 22.154 2.901 ( 21.320 0.000 6.022) 22.154 2.982 ( 21.439 0.000 -0.208) 21.440 2.982 ( 21.439 0.000 0.208) 21.440 3.437 ( 0.678 0.000 -10.633) 10.655 3.437 ( 0.678 0.000 10.633) 10.655 4.062 ( -3.392 -0.000 -2.695) 4.332 4.062 ( -3.392 -0.000 2.695) 4.332 4.653 ( -1.611 -0.000 -7.571) 7.740 4.653 ( -1.611 -0.000 7.571) 7.740 5.887 ( -8.047 -0.000 -9.073) 12.128 5.887 ( -8.047 -0.000 9.073) 12.128 7.405 ( 7.693 0.000 -6.060) 9.793 7.405 ( 7.693 0.000 6.060) 9.793 7.937 ( 13.992 0.000 -1.768) 14.103 7.937 ( 13.992 0.000 1.768) 14.103 8.222 ( 39.002 0.000 -9.964) 40.254 8.222 ( 39.002 0.000 9.964) 40.254 8.840 ( 16.114 0.000 -19.279) 25.126 8.840 ( 16.114 0.000 19.279) 25.126 10.445 ( 1.309 0.000 -12.589) 12.657 10.445 ( 1.309 0.000 12.589) 12.657 10.755 ( -18.871 -0.000 -11.127) 21.907 10.755 ( -18.871 -0.000 11.127) 21.907 11.550 ( -7.601 -0.000 -11.016) 13.384 11.550 ( -7.601 -0.000 11.016) 13.384 11.937 ( 0.115 0.000 -10.738) 10.739 11.937 ( 0.115 0.000 10.738) 10.739 12.704 ( 1.337 0.000 -0.900) 1.612 12.704 ( 1.337 0.000 0.900) 1.612 13.928 ( -13.175 -0.000 -4.914) 14.061 13.928 ( -13.175 -0.000 4.914) 14.061 15.613 ( -0.417 -0.000 -0.616) 0.743 15.613 ( -0.417 -0.000 0.616) 0.743 17.566 ( -14.519 -0.000 -7.203) 16.208 17.566 ( -14.519 -0.000 7.203) 16.208 ======================= Grid point 568 (157/219) ======================= q-point: ( 0.12 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 11.512 5.088 -11.971) 17.370 1.819 ( 11.512 5.088 11.971) 17.370 1.999 ( 15.455 -8.087 -13.240) 21.899 1.999 ( 15.455 -8.087 13.240) 21.899 3.069 ( 13.521 8.781 -5.321) 16.977 3.069 ( 13.521 8.781 5.321) 16.977 3.289 ( 20.405 -8.133 -14.456) 26.296 3.289 ( 20.405 -8.133 14.456) 26.296 3.398 ( 21.709 0.246 -0.290) 21.713 3.398 ( 21.709 0.246 0.290) 21.713 3.602 ( 20.227 -0.399 -4.078) 20.637 3.602 ( 20.227 -0.399 4.078) 20.637 3.994 ( -0.815 4.669 -3.626) 5.967 3.994 ( -0.815 4.669 3.626) 5.967 4.660 ( 1.343 -4.123 -4.354) 6.145 4.660 ( 1.343 -4.123 4.354) 6.145 5.705 ( -10.696 1.673 -8.415) 13.712 5.705 ( -10.696 1.673 8.415) 13.712 7.462 ( 0.124 -0.144 -6.604) 6.607 7.462 ( 0.124 -0.144 6.604) 6.607 8.217 ( 15.932 -0.147 -3.956) 16.417 8.217 ( 15.932 -0.147 3.956) 16.417 8.747 ( 20.719 4.773 -8.239) 22.802 8.747 ( 20.719 4.773 8.239) 22.802 9.224 ( 20.303 -3.556 -10.952) 23.341 9.224 ( 20.303 -3.556 10.952) 23.341 10.357 ( -12.700 4.812 -9.430) 16.533 10.357 ( -12.700 4.812 9.430) 16.533 10.561 ( 2.934 0.694 -13.028) 13.373 10.561 ( 2.934 0.694 13.028) 13.373 11.360 ( -12.962 -2.785 -11.297) 17.418 11.360 ( -12.962 -2.785 11.297) 17.418 12.025 ( 7.192 -0.752 -16.645) 18.148 12.025 ( 7.192 -0.752 16.645) 18.148 12.677 ( -4.148 0.689 -4.610) 6.240 12.677 ( -4.148 0.689 4.610) 6.240 13.637 ( -17.521 -0.761 -4.554) 18.120 13.637 ( -17.521 -0.761 4.554) 18.120 15.585 ( -2.364 0.483 -5.000) 5.551 15.585 ( -2.364 0.483 5.000) 5.551 17.315 ( -12.014 0.789 -10.424) 15.925 17.315 ( -12.014 0.789 10.424) 15.925 ======================= Grid point 570 (158/219) ======================= q-point: ( 0.19 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 8.904 0.866 -8.678) 12.463 1.990 ( 8.904 0.866 8.678) 12.463 2.329 ( 15.154 -6.013 -8.817) 18.535 2.329 ( 15.154 -6.013 8.817) 18.535 3.095 ( -0.878 7.165 -6.365) 9.625 3.095 ( -0.878 7.165 6.365) 9.625 3.563 ( 4.867 2.590 -5.417) 7.729 3.563 ( 4.867 2.590 5.417) 7.729 3.765 ( 16.877 3.876 -1.869) 17.417 3.765 ( 16.877 3.876 1.869) 17.417 3.950 ( 9.787 -8.214 -5.180) 13.788 3.950 ( 9.787 -8.214 5.180) 13.788 4.212 ( 28.666 2.736 -10.241) 30.563 4.212 ( 28.666 2.736 10.241) 30.563 4.754 ( 5.628 -5.638 -1.226) 8.060 4.754 ( 5.628 -5.638 1.226) 8.060 5.496 ( -9.272 2.224 -6.874) 11.755 5.496 ( -9.272 2.224 6.874) 11.755 7.435 ( -2.949 -1.055 -7.299) 7.943 7.435 ( -2.949 -1.055 7.299) 7.943 8.515 ( 15.244 -1.023 -5.604) 16.274 8.515 ( 15.244 -1.023 5.604) 16.274 9.029 ( 14.379 8.148 -9.786) 19.207 9.029 ( 14.379 8.148 9.786) 19.207 9.574 ( 15.686 -1.969 -3.371) 16.164 9.574 ( 15.686 -1.969 3.371) 16.164 10.125 ( -7.702 3.565 -11.148) 14.011 10.125 ( -7.702 3.565 11.148) 14.011 10.649 ( 6.065 5.831 -10.450) 13.416 10.649 ( 6.065 5.831 10.450) 13.416 11.130 ( -13.457 -6.288 -9.147) 17.445 11.130 ( -13.457 -6.288 9.147) 17.445 12.144 ( 3.463 -0.414 -17.295) 17.643 12.144 ( 3.463 -0.414 17.295) 17.643 12.530 ( -11.387 1.575 -13.748) 17.921 12.530 ( -11.387 1.575 13.748) 17.921 13.333 ( -14.109 -1.112 -2.627) 14.394 13.333 ( -14.109 -1.112 2.627) 14.394 15.524 ( -3.610 0.811 -7.869) 8.695 15.524 ( -3.610 0.811 7.869) 8.695 17.110 ( -9.645 1.142 -11.464) 15.025 17.110 ( -9.645 1.142 11.464) 15.025 ======================= Grid point 572 (159/219) ======================= q-point: ( 0.25 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 6.547 -2.072 -4.699) 8.321 2.138 ( 6.547 -2.072 4.699) 8.321 2.605 ( 10.968 -2.114 -5.616) 12.503 2.605 ( 10.968 -2.114 5.616) 12.503 3.032 ( -0.606 5.422 -4.530) 7.091 3.032 ( -0.606 5.422 4.530) 7.091 3.532 ( -2.384 6.129 -3.712) 7.552 3.532 ( -2.384 6.129 3.712) 7.552 3.960 ( 6.047 -0.617 -6.009) 8.547 3.960 ( 6.047 -0.617 6.009) 8.547 4.203 ( 10.838 -4.231 -1.894) 11.788 4.203 ( 10.838 -4.231 1.894) 11.788 4.660 ( 15.984 4.018 -4.895) 17.192 4.660 ( 15.984 4.018 4.895) 17.192 4.917 ( 8.631 -6.923 -7.397) 13.309 4.917 ( 8.631 -6.923 7.397) 13.309 5.423 ( 4.962 -0.112 -2.855) 5.725 5.423 ( 4.962 -0.112 2.855) 5.725 7.377 ( -3.927 -2.136 -7.588) 8.807 7.377 ( -3.927 -2.136 7.588) 8.807 8.771 ( 10.629 -1.358 -6.676) 12.625 8.771 ( 10.629 -1.358 6.676) 12.625 9.216 ( 12.107 10.504 -5.046) 16.804 9.216 ( 12.107 10.504 5.046) 16.804 9.751 ( 2.512 5.162 -7.538) 9.475 9.751 ( 2.512 5.162 7.538) 9.475 10.130 ( 10.686 -0.909 -14.439) 17.986 10.130 ( 10.686 -0.909 14.439) 17.986 10.677 ( -0.285 3.523 -5.022) 6.141 10.677 ( -0.285 3.523 5.022) 6.141 10.973 ( -6.199 -4.882 -5.163) 9.429 10.973 ( -6.199 -4.882 5.163) 9.429 12.073 ( -12.404 5.858 -15.552) 20.737 12.073 ( -12.404 5.858 15.552) 20.737 12.280 ( -12.548 -4.405 -17.963) 22.350 12.280 ( -12.548 -4.405 17.963) 22.350 13.162 ( -5.114 -0.361 -3.009) 5.944 13.162 ( -5.114 -0.361 3.009) 5.944 15.448 ( -3.808 1.218 -9.113) 9.952 15.448 ( -3.808 1.218 9.113) 9.952 16.941 ( -7.824 1.100 -11.442) 13.905 16.941 ( -7.824 1.100 11.442) 13.905 ======================= Grid point 574 (160/219) ======================= q-point: ( 0.31 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 4.196 -3.018 -1.789) 5.470 2.253 ( 4.196 -3.018 1.789) 5.470 2.712 ( 1.449 4.194 -1.220) 4.602 2.712 ( 1.449 4.194 1.220) 4.602 3.064 ( 5.300 -0.107 -1.209) 5.437 3.064 ( 5.300 -0.107 1.209) 5.437 3.463 ( -0.902 4.386 -2.638) 5.197 3.463 ( -0.902 4.386 2.638) 5.197 4.019 ( -0.053 -0.562 -5.759) 5.787 4.019 ( -0.053 -0.562 5.759) 5.787 4.311 ( 0.222 3.272 -1.379) 3.558 4.311 ( 0.222 3.272 1.379) 3.558 4.792 ( 1.679 -11.954 -1.928) 12.224 4.792 ( 1.679 -11.954 1.928) 12.224 5.137 ( 13.240 8.872 -5.545) 16.874 5.137 ( 13.240 8.872 5.545) 16.874 5.666 ( 15.595 -5.645 -3.248) 16.900 5.666 ( 15.595 -5.645 3.248) 16.900 7.323 ( -3.161 -2.675 -7.663) 8.710 7.323 ( -3.161 -2.675 7.663) 8.710 8.879 ( 0.361 1.775 -5.675) 5.957 8.879 ( 0.361 1.775 5.675) 5.957 9.382 ( 12.190 9.963 -2.944) 16.017 9.382 ( 12.190 9.963 2.944) 16.017 9.755 ( 4.365 5.252 -10.657) 12.657 9.755 ( 4.365 5.252 10.657) 12.657 10.355 ( 6.614 -4.460 -16.362) 18.204 10.355 ( 6.614 -4.460 16.362) 18.204 10.659 ( 1.866 0.148 -4.076) 4.485 10.659 ( 1.866 0.148 4.076) 4.485 10.940 ( 0.901 0.330 -7.028) 7.093 10.940 ( 0.901 0.330 7.028) 7.093 11.701 ( -20.042 4.947 -12.906) 24.345 11.701 ( -20.042 4.947 12.906) 24.345 12.102 ( -11.218 -3.960 -15.578) 19.601 12.102 ( -11.218 -3.960 15.578) 19.601 13.105 ( -1.928 0.548 -0.476) 2.060 13.105 ( -1.928 0.548 0.476) 2.060 15.373 ( -3.262 1.841 -10.023) 10.700 15.373 ( -3.262 1.841 10.023) 10.700 16.810 ( -5.598 0.302 -10.777) 12.148 16.810 ( -5.598 0.302 10.777) 12.148 ======================= Grid point 576 (161/219) ======================= q-point: ( 0.38 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.039 -1.960 -0.601) 2.892 2.325 ( 2.039 -1.960 0.601) 2.892 2.684 ( -0.689 3.608 -1.234) 3.875 2.684 ( -0.689 3.608 1.234) 3.875 3.145 ( 2.140 0.698 -3.678) 4.312 3.145 ( 2.140 0.698 3.678) 4.312 3.478 ( 3.947 -0.429 -2.263) 4.570 3.478 ( 3.947 -0.429 2.263) 4.570 3.945 ( -6.816 3.951 -2.251) 8.194 3.945 ( -6.816 3.951 2.251) 8.194 4.272 ( -0.842 0.285 -4.058) 4.155 4.272 ( -0.842 0.285 4.058) 4.155 4.902 ( 1.059 -14.549 -0.551) 14.598 4.902 ( 1.059 -14.549 0.551) 14.598 5.281 ( 8.922 13.467 -3.788) 16.592 5.281 ( 8.922 13.467 3.788) 16.592 5.957 ( 10.727 -5.571 -3.932) 12.711 5.957 ( 10.727 -5.571 3.932) 12.711 7.295 ( -1.114 -1.927 -7.514) 7.836 7.295 ( -1.114 -1.927 7.514) 7.836 8.801 ( -5.272 3.518 -6.156) 8.835 8.801 ( -5.272 3.518 6.156) 8.835 9.524 ( 6.541 5.953 -3.609) 9.552 9.524 ( 6.541 5.953 3.609) 9.552 9.874 ( 9.304 2.175 -9.991) 13.825 9.874 ( 9.304 2.175 9.991) 13.825 10.379 ( -4.417 -6.748 -12.018) 14.473 10.379 ( -4.417 -6.748 12.018) 14.473 10.714 ( 2.221 4.309 -3.113) 5.761 10.714 ( 2.221 4.309 3.113) 5.761 11.017 ( 6.167 -0.098 -5.602) 8.332 11.017 ( 6.167 -0.098 5.602) 8.332 11.367 ( -11.402 1.955 -9.079) 14.705 11.367 ( -11.402 1.955 9.079) 14.705 11.905 ( -10.885 -2.035 -11.773) 16.162 11.905 ( -10.885 -2.035 11.773) 16.162 13.066 ( -1.809 0.952 -3.861) 4.369 13.066 ( -1.809 0.952 3.861) 4.369 15.310 ( -2.127 2.149 -11.513) 11.903 15.310 ( -2.127 2.149 11.513) 11.903 16.733 ( -2.795 -0.732 -9.895) 10.309 16.733 ( -2.795 -0.732 9.895) 10.309 ======================= Grid point 578 (162/219) ======================= q-point: ( 0.44 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.358 -0.294 -1.330) 1.408 2.352 ( 0.358 -0.294 1.330) 1.408 2.665 ( -0.060 1.205 -2.151) 2.466 2.665 ( -0.060 1.205 2.151) 2.466 3.144 ( -0.760 1.189 -4.277) 4.504 3.144 ( -0.760 1.189 4.277) 4.504 3.571 ( 2.166 -2.809 -0.875) 3.653 3.571 ( 2.166 -2.809 0.875) 3.653 3.782 ( -5.998 1.454 -3.740) 7.216 3.782 ( -5.998 1.454 3.740) 7.216 4.288 ( 2.541 1.503 -5.614) 6.343 4.288 ( 2.541 1.503 5.614) 6.343 4.973 ( -2.287 -13.892 -0.279) 14.082 4.973 ( -2.287 -13.892 0.279) 14.082 5.315 ( 3.240 14.437 -4.258) 15.396 5.315 ( 3.240 14.437 4.258) 15.396 6.095 ( 1.105 -2.934 -4.424) 5.422 6.095 ( 1.105 -2.934 4.424) 5.422 7.305 ( 1.492 0.045 -7.029) 7.186 7.305 ( 1.492 0.045 7.029) 7.186 8.700 ( -3.802 -0.509 -7.653) 8.560 8.700 ( -3.802 -0.509 7.653) 8.560 9.538 ( -2.970 0.636 -6.388) 7.074 9.538 ( -2.970 0.636 6.388) 7.074 9.956 ( -3.249 -1.694 -11.536) 12.104 9.956 ( -3.249 -1.694 11.536) 12.104 10.397 ( 6.776 1.330 -4.577) 8.285 10.397 ( 6.776 1.330 4.577) 8.285 10.688 ( -2.619 0.344 -5.169) 5.805 10.688 ( -2.619 0.344 5.169) 5.805 11.033 ( -3.751 -1.719 -1.620) 4.432 11.033 ( -3.751 -1.719 1.620) 4.432 11.317 ( 3.305 3.199 -8.124) 9.336 11.317 ( 3.305 3.199 8.124) 9.336 11.783 ( -1.038 -2.363 -6.174) 6.692 11.783 ( -1.038 -2.363 6.174) 6.692 13.037 ( -0.585 0.383 -5.478) 5.523 13.037 ( -0.585 0.383 5.478) 5.523 15.275 ( -0.405 1.469 -12.677) 12.768 15.275 ( -0.405 1.469 12.677) 12.768 16.712 ( -0.188 -1.036 -9.331) 9.390 16.712 ( -0.188 -1.036 9.331) 9.390 ======================= Grid point 580 (163/219) ======================= q-point: (-0.50 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.743 0.305 -0.834) 1.158 2.349 ( -0.743 0.305 0.834) 1.158 2.657 ( -0.376 0.733 -2.643) 2.768 2.657 ( -0.376 0.733 2.643) 2.768 3.122 ( -1.552 -0.808 -4.697) 5.012 3.122 ( -1.552 -0.808 4.697) 5.012 3.487 ( -8.310 0.822 -1.893) 8.563 3.487 ( -8.310 0.822 1.893) 8.563 3.811 ( 3.908 -7.199 -4.203) 9.206 3.811 ( 3.908 -7.199 4.203) 9.206 4.335 ( 4.166 4.685 -6.179) 8.802 4.335 ( 4.166 4.685 6.179) 8.802 4.970 ( -6.447 -13.276 -0.316) 14.762 4.970 ( -6.447 -13.276 0.316) 14.762 5.244 ( -1.473 14.842 -3.935) 15.425 5.244 ( -1.473 14.842 3.935) 15.425 6.026 ( -9.184 0.365 -4.619) 10.287 6.026 ( -9.184 0.365 4.619) 10.287 7.346 ( 3.456 2.289 -6.345) 7.579 7.346 ( 3.456 2.289 6.345) 7.579 8.680 ( -0.460 -6.569 -7.656) 10.098 8.680 ( -0.460 -6.569 7.656) 10.098 9.414 ( -10.982 -4.005 -2.539) 11.962 9.414 ( -10.982 -4.005 2.539) 11.962 9.817 ( -10.323 -1.728 -10.841) 15.069 9.817 ( -10.323 -1.728 10.842) 15.069 10.518 ( 2.256 3.350 -12.603) 13.234 10.518 ( 2.256 3.350 12.603) 13.234 10.643 ( -0.102 -0.284 -2.372) 2.391 10.643 ( -0.102 -0.284 2.372) 2.391 10.982 ( -3.784 -3.320 -7.909) 9.375 10.982 ( -3.784 -3.320 7.909) 9.375 11.361 ( 6.780 2.326 -8.442) 11.074 11.361 ( 6.780 2.326 8.442) 11.074 11.917 ( 11.839 -1.661 -11.864) 16.843 11.917 ( 11.839 -1.661 11.864) 16.843 13.046 ( 1.323 -0.733 -4.314) 4.571 13.046 ( 1.323 -0.733 4.314) 4.571 15.281 ( 1.438 -0.122 -12.300) 12.385 15.281 ( 1.438 -0.122 12.300) 12.385 16.734 ( 2.039 -0.747 -9.325) 9.575 16.734 ( 2.039 -0.747 9.325) 9.575 ======================= Grid point 582 (164/219) ======================= q-point: (-0.44 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -3.127 1.597 -0.979) 3.645 2.312 ( -3.127 1.597 0.979) 3.645 2.647 ( -0.312 -0.730 -3.012) 3.115 2.647 ( -0.312 -0.730 3.012) 3.115 3.068 ( -5.613 -0.253 -3.553) 6.648 3.068 ( -5.613 -0.253 3.553) 6.648 3.365 ( -3.932 -2.867 -3.141) 5.792 3.365 ( -3.932 -2.867 3.141) 5.792 3.900 ( -0.656 -8.872 -2.364) 9.205 3.900 ( -0.656 -8.872 2.364) 9.205 4.384 ( 4.325 6.686 -6.156) 10.065 4.384 ( 4.325 6.686 6.156) 10.065 4.859 ( -13.101 -8.922 -1.077) 15.887 4.859 ( -13.101 -8.922 1.077) 15.887 5.133 ( -1.039 11.522 -3.870) 12.199 5.133 ( -1.039 11.522 3.870) 12.199 5.765 ( -17.080 2.724 -4.776) 17.943 5.765 ( -17.080 2.724 4.776) 17.943 7.399 ( 3.969 3.727 -5.977) 8.085 7.399 ( 3.969 3.727 5.977) 8.085 8.742 ( 0.878 -10.699 -7.170) 12.909 8.742 ( 0.878 -10.699 7.170) 12.909 9.191 ( -15.338 -5.487 -3.677) 16.700 9.191 ( -15.338 -5.487 3.677) 16.700 9.653 ( -7.571 -3.059 -10.872) 13.597 9.653 ( -7.571 -3.059 10.872) 13.597 10.389 ( -12.675 -1.426 -10.533) 16.542 10.389 ( -12.675 -1.426 10.533) 16.542 10.657 ( -2.388 -0.709 -9.577) 9.896 10.657 ( -2.388 -0.709 9.577) 9.896 10.970 ( 4.919 3.338 -11.941) 13.339 10.970 ( 4.919 3.338 11.941) 13.339 11.601 ( 17.084 -3.013 -11.803) 20.983 11.601 ( 17.084 -3.013 11.803) 20.983 12.162 ( 12.877 0.692 -16.208) 20.712 12.162 ( 12.877 0.692 16.208) 20.712 13.089 ( 2.808 -0.855 -0.695) 3.016 13.089 ( 2.808 -0.855 0.695) 3.016 15.327 ( 2.752 -1.902 -10.247) 10.779 15.327 ( 2.752 -1.902 10.247) 10.779 16.798 ( 4.377 -0.810 -9.708) 10.680 16.798 ( 4.377 -0.810 9.708) 10.680 ======================= Grid point 584 (165/219) ======================= q-point: (-0.38 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -7.536 3.139 -3.616) 8.929 2.200 ( -7.536 3.139 3.616) 8.929 2.646 ( -1.380 -0.033 -6.538) 6.682 2.646 ( -1.380 -0.033 6.538) 6.682 2.933 ( -7.333 -1.042 -1.456) 7.548 2.933 ( -7.333 -1.042 1.456) 7.548 3.372 ( 0.460 -7.259 -2.542) 7.705 3.372 ( 0.460 -7.259 2.542) 7.705 3.850 ( -10.195 -8.159 -1.015) 13.097 3.850 ( -10.195 -8.159 1.015) 13.097 4.382 ( -2.636 8.394 -5.501) 10.376 4.382 ( -2.636 8.394 5.501) 10.376 4.596 ( -16.577 -1.690 -4.510) 17.262 4.596 ( -16.577 -1.690 4.510) 17.262 5.074 ( -2.393 6.937 -4.512) 8.614 5.074 ( -2.393 6.937 4.512) 8.614 5.432 ( -13.322 0.638 -4.726) 14.150 5.432 ( -13.322 0.638 4.726) 14.150 7.447 ( 3.286 3.685 -6.116) 7.860 7.447 ( 3.286 3.685 6.116) 7.860 8.761 ( -7.179 -6.655 -6.263) 11.621 8.761 ( -7.179 -6.655 6.263) 11.621 8.943 ( -13.408 -7.988 -2.500) 15.806 8.943 ( -13.408 -7.988 2.500) 15.806 9.601 ( -1.227 -7.033 -6.320) 9.535 9.601 ( -1.227 -7.033 6.320) 9.535 10.125 ( -14.747 -1.658 -9.683) 17.719 10.125 ( -14.747 -1.658 9.683) 17.719 10.577 ( -6.653 -4.809 -10.039) 12.968 10.577 ( -6.653 -4.809 10.039) 12.968 11.114 ( 12.223 6.854 -12.290) 18.640 11.114 ( 12.223 6.854 12.290) 18.640 11.954 ( 16.685 -4.110 -14.424) 22.435 11.954 ( 16.685 -4.110 14.424) 22.435 12.352 ( 7.741 1.598 -19.291) 20.847 12.352 ( 7.741 1.598 19.291) 20.847 13.175 ( 7.342 0.785 -4.007) 8.401 13.175 ( 7.342 0.785 4.007) 8.401 15.399 ( 3.284 -3.123 -8.057) 9.244 15.399 ( 3.284 -3.123 8.057) 9.244 16.909 ( 6.859 -1.487 -10.170) 12.357 16.909 ( 6.859 -1.487 10.170) 12.357 ======================= Grid point 586 (166/219) ======================= q-point: (-0.31 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -11.968 2.523 -7.897) 14.559 2.000 ( -11.968 2.523 7.897) 14.559 2.529 ( -8.279 9.551 -14.210) 19.018 2.529 ( -8.279 9.551 14.210) 19.018 2.876 ( -2.824 -9.611 -7.617) 12.584 2.876 ( -2.824 -9.611 7.617) 12.584 3.428 ( -0.564 -9.285 -2.892) 9.741 3.428 ( -0.564 -9.285 2.892) 9.741 3.630 ( -17.144 -7.359 -1.168) 18.693 3.630 ( -17.144 -7.359 1.168) 18.693 4.108 ( -20.008 2.633 -4.379) 20.650 4.108 ( -20.008 2.633 4.379) 20.650 4.279 ( -19.056 10.927 -9.836) 24.068 4.279 ( -19.056 10.927 9.836) 24.068 4.913 ( -5.724 6.801 -2.154) 9.146 4.913 ( -5.724 6.801 2.154) 9.146 5.407 ( 6.078 -5.200 -6.465) 10.285 5.407 ( 6.078 -5.200 6.465) 10.285 7.477 ( 1.694 2.443 -6.310) 6.975 7.477 ( 1.694 2.443 6.310) 6.975 8.534 ( -16.522 -1.379 -3.127) 16.872 8.534 ( -16.522 -1.379 3.127) 16.872 8.784 ( -12.090 -9.689 -8.536) 17.689 8.784 ( -12.090 -9.689 8.536) 17.689 9.573 ( -9.191 -3.377 -0.727) 9.818 9.573 ( -9.191 -3.377 0.727) 9.818 9.992 ( 1.013 -7.291 -7.148) 10.261 9.992 ( 1.013 -7.291 7.148) 10.261 10.485 ( -6.181 -7.040 -10.612) 14.155 10.485 ( -6.181 -7.040 10.612) 14.155 11.316 ( 13.653 8.595 -11.808) 19.992 11.316 ( 13.653 8.595 11.808) 19.992 12.159 ( 1.593 0.768 -15.896) 15.994 12.159 ( 1.593 0.768 15.896) 15.994 12.477 ( 7.837 -2.501 -17.563) 19.395 12.477 ( 7.837 -2.501 17.563) 19.395 13.379 ( 15.602 2.857 -6.228) 17.040 13.379 ( 15.602 2.857 6.228) 17.040 15.478 ( 3.031 -3.528 -7.050) 8.446 15.478 ( 3.031 -3.528 7.050) 8.446 17.068 ( 9.084 -2.192 -10.385) 13.970 17.068 ( 9.084 -2.192 10.385) 13.970 ======================= Grid point 588 (167/219) ======================= q-point: (-0.25 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -14.551 0.386 -13.565) 19.897 1.741 ( -14.551 0.386 13.565) 19.897 2.269 ( -12.528 12.842 -16.750) 24.545 2.269 ( -12.528 12.842 16.750) 24.545 2.827 ( -11.804 -9.913 -7.551) 17.164 2.827 ( -11.804 -9.913 7.551) 17.164 3.344 ( -16.240 -6.753 -5.019) 18.290 3.344 ( -16.240 -6.753 5.019) 18.290 3.385 ( -10.453 -3.311 -4.305) 11.780 3.385 ( -10.453 -3.311 4.305) 11.780 3.727 ( -26.162 11.082 -11.448) 30.632 3.727 ( -26.162 11.082 11.448) 30.632 3.822 ( -10.893 -4.616 -1.632) 11.943 3.822 ( -10.893 -4.616 1.632) 11.943 4.842 ( 1.472 9.195 -3.131) 9.825 4.842 ( 1.472 9.195 3.131) 9.825 5.597 ( 9.070 -7.502 -7.466) 13.938 5.597 ( 9.070 -7.502 7.466) 13.938 7.471 ( -1.962 0.670 -5.821) 6.179 7.471 ( -1.962 0.670 5.821) 6.179 8.213 ( -18.499 -1.371 -5.209) 19.267 8.213 ( -18.499 -1.371 5.209) 19.267 8.558 ( -17.823 -8.031 -8.175) 21.189 8.558 ( -17.823 -8.031 8.175) 21.189 9.346 ( -12.970 4.232 -5.993) 14.901 9.346 ( -12.970 4.232 5.993) 14.901 10.111 ( 0.112 -14.478 -3.154) 14.818 10.111 ( 0.112 -14.478 3.154) 14.818 10.496 ( 6.377 -4.872 -9.944) 12.778 10.496 ( 6.377 -4.872 9.944) 12.778 11.506 ( 11.408 8.436 -11.970) 18.563 11.506 ( 11.408 8.436 11.970) 18.563 12.072 ( -6.231 3.162 -18.282) 19.572 12.072 ( -6.231 3.162 18.282) 19.572 12.639 ( 6.281 -2.248 -8.276) 10.630 12.639 ( 6.281 -2.248 8.276) 10.630 13.686 ( 17.982 3.481 -6.269) 19.359 13.686 ( 17.982 3.481 6.269) 19.359 15.546 ( 2.047 -3.290 -5.026) 6.346 15.546 ( 2.047 -3.290 5.026) 6.346 17.270 ( 11.133 -2.807 -9.968) 15.205 17.270 ( 11.133 -2.807 9.968) 15.205 ======================= Grid point 590 (168/219) ======================= q-point: (-0.19 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -13.538 -1.908 -19.865) 24.115 1.477 ( -13.538 -1.908 19.865) 24.115 1.899 ( -21.440 9.787 -14.936) 27.902 1.899 ( -21.440 9.787 14.936) 27.902 2.541 ( -18.360 -1.629 -7.974) 20.083 2.541 ( -18.360 -1.629 7.974) 20.083 2.967 ( -21.905 2.367 -7.564) 23.294 2.967 ( -21.905 2.367 7.564) 23.294 3.129 ( -25.514 13.282 -10.922) 30.768 3.129 ( -25.514 13.282 10.922) 30.768 3.336 ( -1.317 -8.962 -11.663) 14.767 3.336 ( -1.317 -8.962 11.663) 14.767 3.838 ( 1.167 -14.357 -2.652) 14.646 3.838 ( 1.167 -14.357 2.652) 14.646 4.827 ( 2.719 11.129 -6.304) 13.076 4.827 ( 2.719 11.129 6.304) 13.076 5.799 ( 7.483 -7.632 -8.057) 13.385 5.799 ( 7.483 -7.632 8.057) 13.385 7.350 ( -14.567 -3.481 -4.237) 15.565 7.350 ( -14.567 -3.481 4.237) 15.565 7.868 ( -19.158 -3.060 -5.442) 20.150 7.868 ( -19.158 -3.060 5.442) 20.150 8.223 ( -20.028 -1.141 -3.782) 20.414 8.223 ( -20.028 -1.141 3.782) 20.414 9.052 ( -12.437 14.547 -13.169) 23.232 9.052 ( -12.437 14.547 13.169) 23.232 10.166 ( -2.064 -19.546 -8.944) 21.594 10.166 ( -2.064 -19.546 8.944) 21.594 10.750 ( 15.444 -3.235 -8.219) 17.792 10.750 ( 15.444 -3.235 8.219) 17.792 11.624 ( 5.154 5.659 -12.821) 14.932 11.624 ( 5.154 5.659 12.821) 14.932 11.988 ( 1.501 4.309 -12.399) 13.212 11.988 ( 1.501 4.309 12.399) 13.212 12.707 ( 0.222 0.285 -3.501) 3.520 12.707 ( 0.222 0.285 3.501) 3.520 13.965 ( 13.112 3.114 -4.644) 14.255 13.965 ( 13.112 3.114 4.644) 14.255 15.588 ( 0.724 -2.403 -1.043) 2.717 15.588 ( 0.724 -2.403 1.043) 2.717 17.513 ( 12.774 -4.063 -8.210) 15.720 17.513 ( 12.774 -4.063 8.210) 15.720 ======================= Grid point 592 (169/219) ======================= q-point: (-0.12 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -12.959 -0.633 -20.288) 24.082 1.270 ( -12.959 -0.633 20.288) 24.082 1.393 ( -21.988 2.890 -17.282) 28.116 1.393 ( -21.988 2.890 17.282) 28.116 2.291 ( -5.565 7.339 -20.066) 22.078 2.291 ( -5.565 7.339 20.066) 22.078 2.560 ( -18.388 6.940 -13.926) 24.088 2.560 ( -18.388 6.940 13.926) 24.088 2.684 ( -14.977 3.830 -2.318) 15.631 2.684 ( -14.977 3.830 2.318) 15.631 3.406 ( 2.653 -8.003 -12.732) 15.271 3.406 ( 2.653 -8.003 12.732) 15.271 3.959 ( 2.046 -15.371 -3.004) 15.795 3.959 ( 2.046 -15.371 3.004) 15.795 4.811 ( 2.227 10.980 -7.841) 13.675 4.811 ( 2.227 10.980 7.841) 13.675 5.950 ( 4.467 -6.130 -8.527) 11.412 5.950 ( 4.467 -6.130 8.527) 11.412 6.836 ( -41.382 -4.397 -3.286) 41.745 6.836 ( -41.382 -4.397 3.286) 41.745 7.618 ( -7.661 -0.325 -4.951) 9.127 7.618 ( -7.661 -0.325 4.951) 9.127 7.891 ( -10.778 11.633 -5.779) 16.879 7.891 ( -10.778 11.633 5.779) 16.879 8.779 ( -6.174 16.208 -15.060) 22.970 8.779 ( -6.174 16.208 15.060) 22.970 10.270 ( 0.754 -18.387 -12.021) 21.980 10.270 ( 0.754 -18.387 12.021) 21.980 11.023 ( 9.940 -4.720 -2.872) 11.373 11.023 ( 9.940 -4.720 2.872) 11.373 11.650 ( 1.105 2.119 -12.514) 12.740 11.650 ( 1.105 2.119 12.514) 12.740 12.106 ( 13.185 4.489 -1.834) 14.049 12.106 ( 13.185 4.489 1.834) 14.049 12.634 ( -7.597 1.866 -1.661) 7.998 12.634 ( -7.597 1.866 1.661) 7.998 14.125 ( 5.725 2.029 -2.006) 6.397 14.125 ( 5.725 2.029 2.006) 6.397 15.601 ( -0.250 -0.911 -6.076) 6.149 15.601 ( -0.250 -0.911 6.076) 6.149 17.773 ( 10.971 -6.195 -4.461) 13.366 17.773 ( 10.971 -6.195 4.461) 13.366 ======================= Grid point 594 (170/219) ======================= q-point: (-0.06 0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 5.263 -16.770) 17.576 0.988 ( 0.000 5.263 16.770) 17.576 1.280 ( -0.000 -4.275 -27.565) 27.895 1.280 ( -0.000 -4.275 27.565) 27.895 2.222 ( 0.000 14.498 -41.494) 43.954 2.222 ( 0.000 14.498 41.494) 43.954 2.315 ( -0.000 -0.988 -3.640) 3.772 2.315 ( -0.000 -0.988 3.640) 3.772 2.532 ( 0.000 0.977 -1.158) 1.515 2.532 ( 0.000 0.977 1.158) 1.515 3.489 ( -0.000 -7.056 -12.316) 14.194 3.489 ( -0.000 -7.056 12.316) 14.194 4.065 ( -0.000 -12.910 -1.555) 13.003 4.065 ( -0.000 -12.910 1.555) 13.003 4.783 ( 0.000 8.306 -8.510) 11.891 4.783 ( 0.000 8.306 8.510) 11.891 6.028 ( -0.000 -3.601 -9.055) 9.745 6.028 ( -0.000 -3.601 9.055) 9.745 6.293 ( 0.000 4.976 -4.499) 6.708 6.293 ( 0.000 4.976 4.499) 6.708 7.556 ( -0.000 -0.218 -4.038) 4.044 7.556 ( -0.000 -0.218 4.038) 4.044 7.717 ( 0.000 13.306 -5.506) 14.401 7.717 ( 0.000 13.306 5.506) 14.401 8.649 ( 0.000 10.496 -16.145) 19.257 8.649 ( 0.000 10.496 16.145) 19.257 10.369 ( -0.000 -13.088 -13.168) 18.566 10.369 ( -0.000 -13.088 13.168) 18.566 11.143 ( -0.000 -4.409 -0.928) 4.506 11.143 ( -0.000 -4.409 0.928) 4.506 11.654 ( 0.000 0.729 -11.137) 11.161 11.654 ( 0.000 0.729 11.137) 11.161 12.328 ( 0.000 1.694 -0.603) 1.798 12.328 ( 0.000 1.694 0.603) 1.798 12.448 ( 0.000 2.948 -2.304) 3.742 12.448 ( 0.000 2.948 2.304) 3.742 14.166 ( 0.000 1.095 -1.696) 2.019 14.166 ( 0.000 1.095 1.696) 2.019 15.598 ( -0.000 -0.025 -7.966) 7.966 15.598 ( -0.000 -0.025 7.966) 7.966 17.927 ( -0.000 -6.268 -4.470) 7.699 17.927 ( -0.000 -6.268 4.470) 7.699 ======================= Grid point 600 (171/219) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 7.463 0.000 -6.912) 10.172 1.996 ( 7.463 0.000 6.912) 10.172 2.293 ( 17.019 0.000 -1.481) 17.083 2.293 ( 17.019 0.000 1.481) 17.083 3.138 ( -2.083 -0.000 -3.755) 4.294 3.138 ( -2.083 -0.000 3.755) 4.294 3.576 ( 7.697 0.000 -4.276) 8.805 3.576 ( 7.697 0.000 4.276) 8.805 3.792 ( 17.845 0.000 -0.017) 17.845 3.792 ( 17.845 0.000 0.017) 17.845 3.895 ( 7.529 0.000 -6.900) 10.212 3.895 ( 7.529 0.000 6.900) 10.212 4.232 ( 28.585 0.000 -10.131) 30.327 4.232 ( 28.585 0.000 10.131) 30.327 4.719 ( 5.372 0.000 -0.200) 5.376 4.719 ( 5.372 0.000 0.200) 5.376 5.509 ( -9.669 -0.000 -6.946) 11.905 5.509 ( -9.669 -0.000 6.946) 11.905 7.429 ( -3.126 -0.000 -7.452) 8.081 7.429 ( -3.126 -0.000 7.452) 8.081 8.509 ( 15.136 0.000 -5.829) 16.220 8.509 ( 15.136 0.000 5.829) 16.220 9.078 ( 14.189 0.000 -10.115) 17.425 9.078 ( 14.189 0.000 10.115) 17.425 9.560 ( 16.856 0.000 -4.162) 17.362 9.560 ( 16.856 0.000 4.162) 17.362 10.145 ( -8.380 -0.000 -11.937) 14.585 10.145 ( -8.380 -0.000 11.937) 14.585 10.685 ( 6.354 0.000 -10.509) 12.281 10.685 ( 6.354 0.000 10.509) 12.281 11.091 ( -13.826 -0.000 -8.431) 16.194 11.091 ( -13.826 -0.000 8.431) 16.194 12.142 ( 4.142 0.000 -17.437) 17.922 12.142 ( 4.142 0.000 17.437) 17.922 12.539 ( -11.897 -0.000 -13.006) 17.627 12.539 ( -11.897 -0.000 13.006) 17.627 13.327 ( -13.905 -0.000 -0.627) 13.919 13.327 ( -13.905 -0.000 0.627) 13.919 15.529 ( -3.657 -0.000 -7.913) 8.718 15.529 ( -3.657 -0.000 7.913) 8.718 17.116 ( -9.731 -0.000 -11.563) 15.113 17.116 ( -9.731 -0.000 11.563) 15.113 ======================= Grid point 602 (172/219) ======================= q-point: ( 0.19 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 5.879 -0.773 -4.906) 7.696 2.121 ( 5.879 -0.773 4.906) 7.696 2.588 ( 13.543 -0.788 -2.721) 13.836 2.588 ( 13.543 -0.788 2.721) 13.836 3.078 ( -2.660 2.304 -3.818) 5.193 3.078 ( -2.660 2.304 3.818) 5.193 3.586 ( -3.007 2.906 -3.832) 5.672 3.586 ( -3.007 2.906 3.832) 5.672 3.933 ( 3.345 -2.388 -7.444) 8.503 3.933 ( 3.345 -2.388 7.444) 8.503 4.181 ( 16.243 -0.446 -2.264) 16.406 4.181 ( 16.243 -0.446 2.264) 16.406 4.708 ( 8.145 3.655 -3.695) 9.662 4.708 ( 8.145 3.655 3.695) 9.662 4.847 ( 16.950 -4.649 -9.937) 20.191 4.847 ( 16.950 -4.649 9.937) 20.191 5.422 ( 2.576 0.001 -2.316) 3.464 5.422 ( 2.576 0.001 2.316) 3.464 7.361 ( -4.069 -0.756 -7.941) 8.954 7.361 ( -4.069 -0.756 7.941) 8.954 8.760 ( 10.954 -0.564 -6.812) 12.912 8.760 ( 10.954 -0.564 6.812) 12.912 9.300 ( 11.560 3.952 -6.216) 13.708 9.300 ( 11.560 3.952 6.216) 13.708 9.793 ( 5.483 1.991 -8.715) 10.487 9.793 ( 5.483 1.991 8.715) 10.487 10.120 ( 7.770 -0.632 -15.544) 17.389 10.120 ( 7.770 -0.632 15.544) 17.389 10.706 ( -4.496 1.446 -2.021) 5.137 10.706 ( -4.496 1.446 2.021) 5.137 10.933 ( -2.080 -1.955 -3.689) 4.664 10.933 ( -2.080 -1.955 3.689) 4.664 12.135 ( -6.820 4.434 -16.460) 18.360 12.135 ( -6.820 4.434 16.460) 18.360 12.230 ( -18.473 -3.928 -16.858) 25.315 12.230 ( -18.473 -3.928 16.858) 25.315 13.159 ( -4.626 -0.120 -2.461) 5.241 13.159 ( -4.626 -0.120 2.461) 5.241 15.457 ( -3.733 0.383 -9.246) 9.979 15.457 ( -3.733 0.383 9.246) 9.979 16.949 ( -8.123 0.407 -11.656) 14.213 16.949 ( -8.123 0.407 11.656) 14.213 ======================= Grid point 604 (173/219) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 4.327 -1.900 -2.345) 5.275 2.224 ( 4.327 -1.900 2.345) 5.275 2.755 ( 3.619 2.885 -1.418) 4.840 2.755 ( 3.619 2.885 1.418) 4.840 3.064 ( 3.273 0.180 -0.567) 3.327 3.064 ( 3.273 0.180 0.567) 3.327 3.504 ( -3.106 2.629 -2.943) 5.022 3.504 ( -3.106 2.629 2.943) 5.022 3.994 ( 1.387 -2.706 -6.908) 7.547 3.994 ( 1.387 -2.706 6.908) 7.547 4.379 ( 3.549 7.483 -1.596) 8.434 4.379 ( 3.549 7.483 1.596) 8.434 4.660 ( -3.631 -10.753 -3.361) 11.837 4.660 ( -3.631 -10.753 3.361) 11.837 5.230 ( 17.976 6.823 -7.897) 20.786 5.230 ( 17.976 6.823 7.897) 20.786 5.603 ( 13.369 -4.946 -1.838) 14.372 5.603 ( 13.369 -4.946 1.838) 14.372 7.299 ( -2.897 -1.452 -8.168) 8.787 7.299 ( -2.897 -1.452 8.168) 8.787 8.889 ( 1.859 0.213 -4.380) 4.763 8.889 ( 1.859 0.213 4.380) 4.763 9.478 ( 10.710 6.287 -2.604) 12.689 9.478 ( 10.710 6.287 2.604) 12.689 9.811 ( 2.338 4.300 -10.039) 11.169 9.811 ( 2.338 4.300 10.039) 11.169 10.301 ( 3.848 -4.528 -15.007) 16.140 10.301 ( 3.848 -4.528 15.007) 16.140 10.662 ( 4.259 0.312 -3.055) 5.250 10.662 ( 4.259 0.312 3.055) 5.250 10.946 ( 1.514 0.569 -4.841) 5.104 10.946 ( 1.514 0.569 4.841) 5.104 11.751 ( -22.302 3.603 -11.940) 25.553 11.751 ( -22.302 3.603 11.940) 25.553 12.059 ( -9.512 -3.251 -14.475) 17.624 12.059 ( -9.512 -3.251 14.475) 17.624 13.110 ( -1.640 0.292 -0.350) 1.703 13.110 ( -1.640 0.292 0.350) 1.703 15.390 ( -3.002 1.079 -9.645) 10.159 15.390 ( -3.002 1.079 9.645) 10.159 16.813 ( -6.239 0.113 -11.070) 12.708 16.813 ( -6.239 0.113 11.070) 12.708 ======================= Grid point 606 (174/219) ======================= q-point: ( 0.31 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 2.880 -1.889 -0.576) 3.492 2.302 ( 2.880 -1.889 0.576) 3.492 2.731 ( -1.815 4.228 -1.465) 4.828 2.731 ( -1.815 4.228 1.465) 4.828 3.150 ( 3.550 0.140 -2.461) 4.322 3.150 ( 3.550 0.140 2.461) 4.322 3.469 ( 0.482 -1.059 -2.410) 2.676 3.469 ( 0.482 -1.059 2.410) 2.676 3.979 ( -4.878 2.131 -3.785) 6.532 3.979 ( -4.878 2.131 3.785) 6.532 4.295 ( -2.622 3.403 -1.954) 4.720 4.295 ( -2.622 3.403 1.954) 4.720 4.749 ( 2.262 -12.138 -2.040) 12.515 4.749 ( 2.262 -12.138 2.040) 12.515 5.426 ( 9.700 11.938 -6.432) 16.673 5.426 ( 9.700 11.938 6.432) 16.673 5.884 ( 11.021 -7.124 -2.449) 13.350 5.884 ( 11.021 -7.124 2.449) 13.350 7.277 ( -0.220 -1.275 -7.905) 8.010 7.277 ( -0.220 -1.275 7.905) 8.010 8.830 ( -6.312 1.687 -4.134) 7.731 8.830 ( -6.312 1.687 4.134) 7.731 9.594 ( 4.107 6.231 -3.519) 8.251 9.594 ( 4.107 6.231 3.519) 8.251 9.887 ( 6.262 -0.106 -9.922) 11.733 9.887 ( 6.262 -0.106 9.922) 11.733 10.313 ( -1.388 -4.640 -10.066) 11.171 10.313 ( -1.388 -4.640 10.066) 11.171 10.761 ( 1.923 3.803 -3.096) 5.268 10.761 ( 1.923 3.803 3.096) 5.268 11.010 ( 5.663 -0.991 -3.320) 6.639 11.010 ( 5.663 -0.991 3.320) 6.639 11.390 ( -12.264 1.846 -7.141) 14.311 11.390 ( -12.264 1.846 7.141) 14.311 11.881 ( -10.516 -2.050 -11.155) 15.467 11.881 ( -10.516 -2.050 11.155) 15.467 13.076 ( -1.802 0.710 -3.108) 3.662 13.076 ( -1.802 0.710 3.108) 3.662 15.334 ( -1.985 1.965 -10.260) 10.634 15.334 ( -1.985 1.965 10.260) 10.634 16.724 ( -3.397 -0.860 -10.146) 10.734 16.724 ( -3.397 -0.860 10.146) 10.734 ======================= Grid point 608 (175/219) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.196 -0.472 -1.558) 2.020 2.348 ( 1.196 -0.472 1.558) 2.020 2.683 ( -1.115 1.875 -1.713) 2.773 2.683 ( -1.115 1.875 1.713) 2.773 3.164 ( -0.812 2.131 -2.383) 3.298 3.164 ( -0.812 2.131 2.383) 3.298 3.525 ( 2.202 -4.957 -2.409) 5.935 3.525 ( 2.202 -4.957 2.409) 5.935 3.808 ( -9.121 3.065 -2.247) 9.881 3.808 ( -9.121 3.065 2.247) 9.881 4.308 ( 4.217 1.908 -4.680) 6.582 4.308 ( 4.217 1.908 4.680) 6.582 4.826 ( -1.462 -11.714 -1.834) 11.946 4.826 ( -1.462 -11.714 1.834) 11.946 5.473 ( 3.262 13.280 -6.658) 15.210 5.473 ( 3.262 13.280 6.658) 15.210 6.047 ( 2.202 -5.315 -3.492) 6.730 6.047 ( 2.202 -5.315 3.492) 6.730 7.305 ( 2.747 0.061 -6.949) 7.472 7.305 ( 2.747 0.061 6.949) 7.472 8.692 ( -6.932 -0.704 -6.450) 9.494 8.692 ( -6.932 -0.704 6.450) 9.495 9.547 ( -6.431 0.954 -5.402) 8.453 9.547 ( -6.431 0.954 5.402) 8.453 9.932 ( -3.836 -2.331 -11.704) 12.535 9.932 ( -3.836 -2.331 11.704) 12.535 10.416 ( 11.521 1.803 -4.777) 12.601 10.416 ( 11.521 1.803 4.777) 12.601 10.693 ( -5.513 0.468 -5.387) 7.722 10.693 ( -5.513 0.468 5.387) 7.722 11.010 ( -6.023 -2.103 -1.884) 6.652 11.010 ( -6.023 -2.103 1.884) 6.652 11.364 ( 6.551 4.788 -9.160) 12.237 11.364 ( 6.551 4.788 9.160) 12.237 11.746 ( -2.915 -3.955 -5.875) 7.658 11.746 ( -2.915 -3.955 5.875) 7.658 13.043 ( -1.074 0.530 -4.628) 4.781 13.043 ( -1.074 0.530 4.628) 4.781 15.296 ( -0.752 2.118 -11.190) 11.413 15.296 ( -0.752 2.118 11.190) 11.413 16.697 ( -0.337 -1.507 -9.360) 9.487 16.697 ( -0.337 -1.507 9.360) 9.487 ======================= Grid point 610 (176/219) ======================= q-point: (-0.56 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.378 0.696 -1.576) 1.764 2.354 ( -0.378 0.696 1.576) 1.764 2.665 ( -0.560 0.354 -2.147) 2.247 2.665 ( -0.560 0.354 2.147) 2.247 3.121 ( -2.525 0.729 -3.436) 4.326 3.121 ( -2.525 0.729 3.436) 4.326 3.496 ( -7.531 0.506 -2.008) 7.810 3.496 ( -7.531 0.506 2.008) 7.810 3.733 ( 1.028 -6.064 -6.064) 8.637 3.733 ( 1.028 -6.064 6.064) 8.637 4.389 ( 5.758 4.566 -5.617) 9.249 4.389 ( 5.758 4.566 5.617) 9.249 4.828 ( -5.407 -11.734 -2.009) 13.076 4.828 ( -5.407 -11.734 2.009) 13.076 5.406 ( -2.063 13.499 -6.151) 14.977 5.406 ( -2.063 13.499 6.151) 14.977 6.015 ( -7.970 -2.186 -4.129) 9.239 6.015 ( -7.970 -2.186 4.129) 9.239 7.370 ( 4.509 1.912 -5.703) 7.518 7.370 ( 4.509 1.912 5.703) 7.518 8.607 ( -4.001 -6.083 -7.188) 10.231 8.607 ( -4.001 -6.083 7.188) 10.231 9.371 ( -12.625 -3.636 -1.136) 13.187 9.371 ( -12.625 -3.636 1.136) 13.187 9.807 ( -9.134 -0.060 -10.364) 13.815 9.807 ( -9.134 -0.060 10.364) 13.815 10.527 ( -4.867 -1.040 -6.933) 8.534 10.527 ( -4.867 -1.040 6.933) 8.534 10.666 ( 5.134 3.587 -4.031) 7.448 10.666 ( 5.134 3.587 4.031) 7.448 10.938 ( -1.776 -4.441 -7.641) 9.015 10.938 ( -1.776 -4.441 7.641) 9.015 11.405 ( 4.303 5.357 -7.402) 10.099 11.405 ( 4.303 5.357 7.402) 10.099 11.883 ( 12.464 -4.251 -12.146) 17.915 11.883 ( 12.464 -4.251 12.146) 17.915 13.039 ( 0.811 -0.452 -3.903) 4.012 13.039 ( 0.811 -0.452 3.903) 4.012 15.286 ( 0.577 0.882 -11.239) 11.288 15.286 ( 0.577 0.882 11.239) 11.288 16.722 ( 2.121 -1.278 -9.018) 9.352 16.722 ( 2.121 -1.278 9.018) 9.352 ======================= Grid point 612 (177/219) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -2.245 1.228 -0.082) 2.560 2.326 ( -2.245 1.228 0.082) 2.560 2.646 ( -1.207 0.123 -2.868) 3.114 2.646 ( -1.207 0.123 2.868) 3.114 3.059 ( -4.849 -1.289 -3.593) 6.172 3.059 ( -4.849 -1.289 3.593) 6.172 3.353 ( -5.701 0.753 -4.807) 7.495 3.353 ( -5.701 0.753 4.807) 7.495 3.797 ( -0.930 -9.164 -4.741) 10.360 3.797 ( -0.930 -9.164 4.741) 10.360 4.457 ( 4.490 5.820 -5.505) 9.184 4.457 ( 4.490 5.820 5.505) 9.184 4.754 ( -9.211 -9.067 -1.832) 13.054 4.754 ( -9.211 -9.067 1.832) 13.054 5.268 ( -4.025 11.794 -5.108) 13.468 5.268 ( -4.025 11.794 5.108) 13.468 5.785 ( -16.677 0.730 -4.696) 17.341 5.785 ( -16.677 0.730 4.696) 17.341 7.440 ( 4.399 3.376 -5.020) 7.480 7.440 ( 4.399 3.376 5.020) 7.480 8.611 ( -1.451 -11.691 -6.929) 13.667 8.611 ( -1.451 -11.691 6.929) 13.667 9.139 ( -14.349 -4.145 -4.755) 15.675 9.139 ( -14.349 -4.145 4.755) 15.675 9.632 ( -8.831 -0.671 -9.815) 13.220 9.632 ( -8.831 -0.671 9.815) 13.220 10.364 ( -12.995 -2.733 -6.902) 14.965 10.364 ( -12.995 -2.733 6.902) 14.965 10.642 ( -6.038 -1.825 -11.326) 12.964 10.642 ( -6.038 -1.825 11.326) 12.964 11.013 ( 8.536 3.909 -14.167) 16.996 11.013 ( 8.536 3.909 14.167) 16.996 11.582 ( 15.769 -0.211 -11.088) 19.279 11.582 ( 15.769 -0.211 11.088) 19.279 12.156 ( 13.518 -1.694 -16.735) 21.580 12.156 ( 13.518 -1.694 16.735) 21.580 13.079 ( 3.212 -0.857 -0.775) 3.414 13.079 ( 3.212 -0.857 0.775) 3.414 15.308 ( 1.628 -1.397 -9.528) 9.767 15.308 ( 1.628 -1.397 9.528) 9.767 16.788 ( 4.248 -0.920 -8.994) 9.989 16.788 ( 4.248 -0.920 8.994) 9.989 ======================= Grid point 614 (178/219) ======================= q-point: (-0.44 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -6.587 3.245 -2.320) 7.701 2.236 ( -6.587 3.245 2.320) 7.701 2.631 ( -0.841 -2.220 -3.439) 4.179 2.631 ( -0.841 -2.220 3.439) 4.179 2.940 ( -7.590 1.469 -2.896) 8.256 2.940 ( -7.590 1.469 2.896) 8.256 3.300 ( -1.652 -4.842 -3.377) 6.130 3.300 ( -1.652 -4.842 3.377) 6.130 3.755 ( -9.560 -8.468 -2.522) 13.018 3.755 ( -9.560 -8.468 2.522) 13.018 4.445 ( -7.591 1.664 -3.920) 8.703 4.445 ( -7.591 1.664 3.920) 8.703 4.597 ( -6.694 2.739 -4.268) 8.398 4.597 ( -6.694 2.739 4.268) 8.398 5.153 ( -3.730 6.933 -4.374) 9.006 5.153 ( -3.730 6.933 4.374) 9.006 5.439 ( -16.660 0.518 -5.368) 17.511 5.439 ( -16.660 0.518 5.368) 17.511 7.489 ( 2.913 3.689 -5.232) 7.033 7.489 ( 2.913 3.689 5.232) 7.033 8.634 ( -6.257 -13.841 -7.195) 16.808 8.634 ( -6.257 -13.841 7.195) 16.808 8.901 ( -11.983 -1.247 -6.947) 13.907 8.901 ( -11.983 -1.247 6.947) 13.907 9.529 ( -3.421 -5.559 -6.093) 8.930 9.529 ( -3.421 -5.559 6.093) 8.930 10.100 ( -15.671 -2.626 -6.775) 17.273 10.100 ( -15.671 -2.626 6.775) 17.273 10.523 ( -7.996 -4.632 -11.669) 14.885 10.523 ( -7.996 -4.632 11.669) 14.885 11.189 ( 13.092 6.310 -15.023) 20.902 11.189 ( 13.092 6.310 15.023) 20.902 11.918 ( 17.680 -2.152 -14.079) 22.703 11.918 ( 17.680 -2.152 14.079) 22.703 12.360 ( 7.028 -0.089 -19.658) 20.877 12.360 ( 7.028 -0.089 19.658) 20.877 13.184 ( 8.879 0.846 -4.023) 9.784 13.184 ( 8.879 0.846 4.023) 9.784 15.360 ( 2.257 -3.724 -6.998) 8.243 15.360 ( 2.257 -3.724 6.998) 8.243 16.893 ( 6.514 -1.200 -9.105) 11.259 16.893 ( 6.514 -1.200 9.105) 11.259 ======================= Grid point 616 (179/219) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -11.611 4.708 -5.670) 13.753 2.042 ( -11.611 4.708 5.670) 13.753 2.608 ( -4.136 2.457 -10.135) 11.219 2.608 ( -4.136 2.457 10.135) 11.219 2.800 ( -5.768 -2.054 -4.604) 7.661 2.800 ( -5.768 -2.054 4.604) 7.661 3.311 ( -3.235 -10.926 -2.057) 11.579 3.311 ( -3.235 -10.926 2.057) 11.579 3.550 ( -15.626 -6.553 -1.622) 17.022 3.550 ( -15.626 -6.553 1.622) 17.022 4.131 ( -21.076 1.662 -4.412) 21.597 4.131 ( -21.076 1.662 4.412) 21.597 4.413 ( -15.290 12.045 -9.024) 21.454 4.413 ( -15.290 12.045 9.024) 21.454 4.981 ( -5.922 5.031 -3.305) 8.444 4.981 ( -5.922 5.031 3.305) 8.444 5.347 ( 3.346 -5.306 -6.264) 8.865 5.347 ( 3.346 -5.306 6.264) 8.865 7.506 ( 0.825 2.662 -5.704) 6.348 7.506 ( 0.825 2.662 5.704) 6.348 8.477 ( -16.191 -8.573 -5.639) 19.169 8.477 ( -16.191 -8.573 5.639) 19.169 8.719 ( -10.116 -1.644 -7.215) 12.534 8.719 ( -10.116 -1.644 7.215) 12.534 9.515 ( -5.769 -6.626 -0.465) 8.798 9.515 ( -5.769 -6.626 0.465) 8.798 9.907 ( -4.644 -7.530 -5.367) 10.347 9.907 ( -4.644 -7.530 5.367) 10.347 10.415 ( -5.911 -5.358 -11.123) 13.688 10.415 ( -5.911 -5.358 11.123) 13.688 11.408 ( 13.996 7.528 -12.998) 20.531 11.408 ( 13.996 7.528 12.998) 20.531 12.167 ( 5.005 0.773 -14.722) 15.568 12.167 ( 5.005 0.773 14.722) 15.568 12.452 ( 5.756 -1.879 -18.956) 19.900 12.452 ( 5.756 -1.879 18.956) 19.900 13.415 ( 16.768 3.373 -7.132) 18.531 13.415 ( 16.768 3.373 7.132) 18.531 15.429 ( 2.357 -5.073 -5.986) 8.193 15.429 ( 2.357 -5.073 5.986) 8.193 17.044 ( 8.730 -1.934 -9.254) 12.868 17.044 ( 8.730 -1.934 9.254) 12.868 ======================= Grid point 618 (180/219) ======================= q-point: (-0.31 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -14.168 4.637 -10.203) 18.065 1.770 ( -14.168 4.637 10.203) 18.065 2.401 ( -13.594 9.731 -14.229) 21.953 2.401 ( -13.594 9.731 14.229) 21.953 2.731 ( -7.914 -6.464 -7.359) 12.592 2.731 ( -7.914 -6.464 7.359) 12.592 3.225 ( -12.588 -13.218 -5.896) 19.182 3.225 ( -12.588 -13.218 5.896) 19.182 3.339 ( -11.284 -4.591 -1.597) 12.286 3.339 ( -11.284 -4.591 1.597) 12.286 3.762 ( -14.341 -1.155 -3.869) 14.899 3.762 ( -14.341 -1.155 3.869) 14.899 3.903 ( -27.769 14.487 -10.015) 32.883 3.903 ( -27.769 14.487 10.015) 32.883 4.938 ( 2.813 7.615 -2.441) 8.478 4.938 ( 2.813 7.615 2.441) 8.478 5.501 ( 7.358 -9.362 -6.789) 13.707 5.501 ( 7.358 -9.362 6.789) 13.707 7.480 ( -3.194 0.934 -5.264) 6.228 7.480 ( -3.194 0.934 5.264) 6.228 8.182 ( -19.007 -4.371 -7.348) 20.841 8.182 ( -19.007 -4.371 7.348) 20.841 8.492 ( -15.859 -3.215 -7.026) 17.642 8.492 ( -15.859 -3.215 7.026) 17.642 9.374 ( -8.508 0.559 -3.602) 9.256 9.374 ( -8.508 0.559 3.602) 9.256 9.942 ( -3.772 -14.996 -3.682) 15.896 9.942 ( -3.772 -14.996 3.682) 15.896 10.437 ( 7.129 -5.319 -10.629) 13.859 10.437 ( 7.129 -5.319 10.629) 13.859 11.601 ( 10.945 8.262 -11.981) 18.209 11.601 ( 10.945 8.262 11.981) 18.209 12.111 ( -5.369 3.702 -18.733) 19.836 12.111 ( -5.369 3.702 18.733) 19.836 12.614 ( 7.756 -2.016 -9.375) 12.333 12.614 ( 7.756 -2.016 9.375) 12.333 13.731 ( 18.393 4.444 -6.922) 20.149 13.731 ( 18.393 4.444 6.922) 20.149 15.498 ( 1.824 -5.121 -4.559) 7.094 15.498 ( 1.824 -5.121 4.559) 7.094 17.238 ( 10.560 -2.812 -9.123) 14.236 17.238 ( 10.560 -2.812 9.123) 14.236 ======================= Grid point 620 (181/219) ======================= q-point: (-0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -12.840 3.741 -15.918) 20.790 1.488 ( -12.840 3.741 15.918) 20.790 1.992 ( -25.422 6.589 -10.775) 28.387 1.992 ( -25.422 6.589 10.775) 28.387 2.538 ( -12.063 1.028 -5.795) 13.422 2.538 ( -12.063 1.028 5.795) 13.422 2.987 ( -19.261 0.787 -5.508) 20.049 2.987 ( -19.261 0.787 5.508) 20.049 3.202 ( -7.272 -11.784 -12.641) 18.750 3.202 ( -7.272 -11.784 12.641) 18.750 3.303 ( -22.294 14.045 -13.961) 29.819 3.303 ( -22.294 14.045 13.961) 29.819 3.689 ( -0.746 -10.840 -0.642) 10.885 3.689 ( -0.746 -10.840 0.642) 10.885 4.950 ( 3.375 10.240 -5.160) 11.953 4.950 ( 3.375 10.240 5.160) 11.953 5.694 ( 6.702 -10.791 -7.061) 14.533 5.694 ( 6.702 -10.791 7.061) 14.533 7.319 ( -17.214 -1.820 -2.402) 17.475 7.319 ( -17.214 -1.820 2.402) 17.475 7.843 ( -17.525 -1.586 -7.264) 19.037 7.843 ( -17.525 -1.586 7.264) 19.037 8.202 ( -15.441 -2.399 -3.542) 16.023 8.202 ( -15.441 -2.399 3.542) 16.023 9.210 ( -6.040 12.603 -9.596) 16.953 9.210 ( -6.040 12.603 9.596) 16.953 9.936 ( -4.950 -20.496 -7.916) 22.522 9.936 ( -4.950 -20.496 7.916) 22.522 10.693 ( 13.944 -6.467 -8.006) 17.330 10.693 ( 13.944 -6.467 8.006) 17.330 11.695 ( 3.341 6.798 -14.572) 16.423 11.695 ( 3.341 6.798 14.572) 16.423 12.044 ( 2.869 5.349 -13.379) 14.692 12.044 ( 2.869 5.349 13.379) 14.692 12.711 ( 1.679 0.389 -4.614) 4.926 12.711 ( 1.679 0.389 4.614) 4.926 14.006 ( 12.982 4.212 -4.288) 14.306 14.006 ( 12.982 4.212 4.288) 14.306 15.552 ( 1.106 -4.042 -1.676) 4.513 15.552 ( 1.106 -4.042 1.676) 4.513 17.464 ( 11.444 -4.337 -8.242) 14.755 17.464 ( 11.444 -4.337 8.242) 14.755 ======================= Grid point 622 (182/219) ======================= q-point: (-0.19 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -7.792 2.643 -20.456) 22.049 1.278 ( -7.792 2.643 20.456) 22.049 1.440 ( -26.529 5.189 -11.443) 29.354 1.440 ( -26.529 5.189 11.443) 29.354 2.349 ( -5.963 2.905 -7.320) 9.878 2.349 ( -5.963 2.905 7.320) 9.878 2.652 ( -12.721 6.505 -10.238) 17.577 2.652 ( -12.721 6.505 10.238) 17.577 2.769 ( -18.482 12.777 -12.042) 25.493 2.769 ( -18.482 12.777 12.042) 25.493 3.292 ( 1.433 -11.790 -11.124) 16.273 3.292 ( 1.433 -11.790 11.124) 16.273 3.778 ( 1.252 -15.597 -2.378) 15.827 3.778 ( 1.252 -15.597 2.378) 15.827 4.940 ( 2.112 11.445 -6.864) 13.511 4.940 ( 2.112 11.445 6.864) 13.511 5.859 ( 4.439 -10.078 -7.457) 13.300 5.859 ( 4.439 -10.078 7.457) 13.300 6.816 ( -33.345 1.011 -1.267) 33.384 6.816 ( -33.345 1.011 1.267) 33.384 7.617 ( -7.292 0.035 -5.550) 9.164 7.617 ( -7.292 0.035 5.550) 9.164 7.981 ( -7.858 3.959 -4.171) 9.737 7.981 ( -7.858 3.959 4.171) 9.737 9.006 ( -4.327 22.308 -13.328) 26.344 9.006 ( -4.327 22.308 13.328) 26.344 10.026 ( 0.207 -23.866 -10.757) 26.179 10.026 ( 0.207 -23.866 10.757) 26.179 10.951 ( 8.255 -7.818 -2.534) 11.648 10.951 ( 8.255 -7.818 2.534) 11.648 11.684 ( 0.099 3.971 -15.561) 16.060 11.684 ( 0.099 3.971 15.561) 16.060 12.165 ( 12.534 5.629 -2.713) 14.005 12.165 ( 12.534 5.629 2.713) 14.005 12.660 ( -6.455 2.512 -2.326) 7.306 12.660 ( -6.455 2.512 2.326) 7.306 14.154 ( 5.326 3.149 -2.501) 6.674 14.154 ( 5.326 3.149 2.501) 6.674 15.584 ( 0.446 -2.138 -7.988) 8.281 15.584 ( 0.446 -2.138 7.988) 8.281 17.695 ( 9.101 -7.075 -6.364) 13.168 17.695 ( 9.101 -7.075 6.364) 13.168 ======================= Grid point 624 (183/219) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 8.568 -13.658) 16.123 1.068 ( 0.000 8.568 13.658) 16.123 1.239 ( -0.000 -2.096 -26.027) 26.111 1.239 ( -0.000 -2.096 26.027) 26.111 2.301 ( -0.000 -1.519 -3.495) 3.811 2.301 ( -0.000 -1.519 3.495) 3.811 2.435 ( 0.000 22.002 -33.862) 40.382 2.435 ( 0.000 22.002 33.862) 40.382 2.547 ( 0.000 1.549 -1.656) 2.268 2.547 ( 0.000 1.549 1.656) 2.268 3.381 ( -0.000 -11.683 -12.960) 17.449 3.381 ( -0.000 -11.683 12.960) 17.449 3.888 ( -0.000 -17.075 -2.564) 17.266 3.888 ( -0.000 -17.075 2.564) 17.266 4.897 ( 0.000 11.206 -7.525) 13.498 4.897 ( 0.000 11.206 7.525) 13.498 5.962 ( -0.000 -8.294 -8.048) 11.557 5.962 ( -0.000 -8.294 8.048) 11.557 6.374 ( 0.000 9.292 -4.506) 10.327 6.374 ( 0.000 9.292 4.506) 10.327 7.553 ( -0.000 -0.396 -4.024) 4.044 7.553 ( -0.000 -0.396 4.024) 4.044 7.864 ( 0.000 10.392 -5.583) 11.797 7.864 ( 0.000 10.392 5.583) 11.797 8.834 ( 0.000 21.800 -13.729) 25.763 8.834 ( 0.000 21.800 13.729) 25.763 10.165 ( -0.000 -22.122 -11.975) 25.155 10.165 ( -0.000 -22.122 11.975) 25.155 11.073 ( -0.000 -7.836 -0.948) 7.893 11.073 ( -0.000 -7.836 0.948) 7.893 11.669 ( 0.000 2.113 -13.808) 13.968 11.669 ( 0.000 2.113 13.808) 13.968 12.354 ( 0.000 2.710 -0.605) 2.777 12.354 ( 0.000 2.710 0.605) 2.777 12.493 ( 0.000 4.815 -0.952) 4.908 12.493 ( 0.000 4.815 0.952) 4.908 14.185 ( 0.000 2.234 -3.207) 3.908 14.185 ( 0.000 2.234 3.207) 3.908 15.594 ( -0.000 -0.759 -10.556) 10.583 15.594 ( -0.000 -0.759 10.556) 10.583 17.837 ( -0.000 -8.876 -5.188) 10.281 17.837 ( -0.000 -8.876 5.188) 10.281 ======================= Grid point 634 (184/219) ======================= q-point: ( 0.19 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 4.365 0.000 -2.497) 5.029 2.213 ( 4.365 0.000 2.497) 5.029 2.772 ( 4.775 0.000 -1.263) 4.939 2.772 ( 4.775 0.000 1.263) 4.939 3.066 ( 2.142 0.000 -1.129) 2.422 3.066 ( 2.142 0.000 1.129) 2.422 3.519 ( -4.180 -0.000 -2.968) 5.127 3.519 ( -4.180 -0.000 2.968) 5.127 3.976 ( 2.443 0.000 -6.631) 7.066 3.976 ( 2.443 0.000 6.631) 7.066 4.441 ( 9.478 0.000 -1.622) 9.615 4.441 ( 9.478 0.000 1.622) 9.615 4.580 ( -10.287 -0.000 -4.754) 11.332 4.580 ( -10.287 -0.000 4.754) 11.332 5.273 ( 20.460 0.000 -9.672) 22.631 5.273 ( 20.460 0.000 9.672) 22.631 5.571 ( 11.578 0.000 -1.908) 11.734 5.571 ( 11.578 0.000 1.908) 11.734 7.291 ( -2.801 -0.000 -8.344) 8.801 7.291 ( -2.801 -0.000 8.344) 8.801 8.889 ( 2.362 0.000 -3.829) 4.499 8.889 ( 2.362 0.000 3.829) 4.499 9.515 ( 10.414 0.000 -2.398) 10.687 9.515 ( 10.414 0.000 2.398) 10.687 9.839 ( 1.231 0.000 -9.238) 9.320 9.839 ( 1.231 0.000 9.238) 9.320 10.271 ( 3.117 0.000 -13.048) 13.416 10.271 ( 3.117 0.000 13.048) 13.416 10.664 ( 5.198 0.000 -3.031) 6.017 10.664 ( 5.198 0.000 3.031) 6.017 10.950 ( 1.595 0.000 -3.796) 4.118 10.950 ( 1.595 0.000 3.796) 4.118 11.773 ( -23.739 -0.000 -10.406) 25.919 11.773 ( -23.739 -0.000 10.406) 25.919 12.038 ( -8.297 -0.000 -13.220) 15.608 12.038 ( -8.297 -0.000 13.220) 15.608 13.112 ( -1.538 -0.000 -0.285) 1.564 13.112 ( -1.538 -0.000 0.285) 1.564 15.396 ( -2.862 -0.000 -9.482) 9.905 15.396 ( -2.862 -0.000 9.482) 9.905 16.813 ( -6.495 -0.000 -11.171) 12.923 16.813 ( -6.495 -0.000 11.171) 12.923 ======================= Grid point 636 (185/219) ======================= q-point: ( 0.25 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.359 -0.755 -0.430) 3.470 2.287 ( 3.359 -0.755 0.430) 3.470 2.768 ( -2.641 1.925 -0.892) 3.388 2.768 ( -2.641 1.925 0.892) 3.388 3.150 ( 4.755 -0.060 -2.107) 5.201 3.150 ( 4.755 -0.060 2.107) 5.201 3.458 ( -1.930 -0.657 -1.940) 2.814 3.458 ( -1.930 -0.657 1.940) 2.814 3.995 ( -2.359 0.753 -4.359) 5.014 3.995 ( -2.359 0.753 4.359) 5.014 4.335 ( -6.605 2.750 -2.188) 7.482 4.335 ( -6.605 2.750 2.188) 7.482 4.642 ( 4.771 -5.708 -3.702) 8.309 4.642 ( 4.771 -5.708 3.702) 8.309 5.537 ( 10.177 6.482 -10.006) 15.675 5.537 ( 10.177 6.482 10.006) 15.675 5.809 ( 11.090 -4.868 -0.907) 12.146 5.809 ( 11.090 -4.868 0.907) 12.146 7.267 ( 0.268 -0.445 -8.110) 8.127 7.267 ( 0.268 -0.445 8.110) 8.127 8.841 ( -6.603 0.465 -1.867) 6.877 8.841 ( -6.603 0.465 1.867) 6.877 9.652 ( 2.741 3.228 -2.474) 4.905 9.652 ( 2.741 3.228 2.474) 4.905 9.877 ( 3.108 -1.061 -10.355) 10.864 9.877 ( 3.108 -1.061 10.355) 10.864 10.278 ( 1.548 -1.529 -7.719) 8.020 10.278 ( 1.548 -1.529 7.719) 8.020 10.793 ( 1.899 1.649 -3.328) 4.171 10.793 ( 1.899 1.649 3.328) 4.171 11.000 ( 5.003 -0.650 -1.330) 5.217 11.000 ( 5.003 -0.650 1.330) 5.217 11.405 ( -12.541 0.733 -3.129) 12.946 11.405 ( -12.541 0.733 3.129) 12.946 11.863 ( -10.303 -0.851 -10.177) 14.507 11.863 ( -10.303 -0.851 10.177) 14.507 13.081 ( -1.761 0.263 -2.424) 3.007 13.081 ( -1.761 0.263 2.424) 3.007 15.351 ( -1.808 0.795 -9.296) 9.503 15.351 ( -1.808 0.795 9.296) 9.503 16.716 ( -3.807 -0.378 -10.301) 10.989 16.716 ( -3.807 -0.378 10.301) 10.989 ======================= Grid point 638 (186/219) ======================= q-point: ( 0.31 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 2.156 -0.364 -1.686) 2.761 2.343 ( 2.156 -0.364 1.686) 2.761 2.703 ( -2.703 1.439 -1.107) 3.256 2.703 ( -2.703 1.439 1.107) 3.256 3.189 ( -0.102 2.166 -0.802) 2.312 3.189 ( -0.102 2.166 0.802) 2.312 3.470 ( 1.210 -4.341 -2.612) 5.209 3.470 ( 1.210 -4.341 2.612) 5.209 3.843 ( -10.397 2.746 -0.870) 10.789 3.843 ( -10.397 2.746 0.870) 10.789 4.327 ( 4.972 1.223 -3.820) 6.388 4.327 ( 4.972 1.223 3.820) 6.388 4.717 ( -0.523 -7.038 -3.335) 7.805 4.717 ( -0.523 -7.038 3.335) 7.805 5.607 ( 2.833 9.805 -9.583) 13.999 5.607 ( 2.833 9.805 9.583) 13.999 5.982 ( 3.303 -5.777 -1.470) 6.815 5.982 ( 3.303 -5.777 1.470) 6.815 7.306 ( 3.575 0.041 -6.868) 7.743 7.306 ( 3.575 0.041 6.868) 7.743 8.685 ( -8.938 -0.487 -5.055) 10.280 8.685 ( -8.938 -0.487 5.055) 10.280 9.557 ( -9.838 0.724 -4.108) 10.686 9.557 ( -9.838 0.724 4.108) 10.686 9.909 ( -2.287 -1.632 -11.811) 12.141 9.909 ( -2.287 -1.632 11.811) 12.141 10.434 ( 14.145 1.241 -4.928) 15.030 10.434 ( 14.145 1.241 4.928) 15.030 10.697 ( -8.231 0.318 -5.588) 9.954 10.697 ( -8.231 0.318 5.588) 9.954 10.990 ( -6.948 -1.357 -2.269) 7.434 10.990 ( -6.948 -1.357 2.269) 7.434 11.417 ( 10.620 4.122 -10.859) 15.738 11.417 ( 10.620 4.122 10.859) 15.738 11.700 ( -6.260 -3.681 -5.234) 8.952 11.700 ( -6.260 -3.681 5.234) 8.952 13.048 ( -1.394 0.366 -3.569) 3.849 13.048 ( -1.394 0.366 3.569) 3.849 15.318 ( -0.989 1.529 -9.414) 9.589 15.318 ( -0.989 1.529 9.414) 9.589 16.681 ( -0.427 -1.098 -9.380) 9.454 16.681 ( -0.427 -1.098 9.380) 9.454 ======================= Grid point 640 (187/219) ======================= q-point: (-0.62 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 0.336 1.147 -3.017) 3.245 2.365 ( 0.336 1.147 3.017) 3.245 2.662 ( -1.531 -0.736 -1.790) 2.467 2.662 ( -1.531 -0.736 1.790) 2.467 3.139 ( -3.519 2.237 -1.577) 4.458 3.139 ( -3.519 2.237 1.577) 4.458 3.490 ( -3.525 -1.794 -3.135) 5.047 3.490 ( -3.525 -1.794 3.135) 5.047 3.684 ( -3.795 -2.351 -6.301) 7.722 3.684 ( -3.795 -2.351 6.301) 7.722 4.435 ( 6.898 3.444 -4.599) 8.977 4.435 ( 6.898 3.444 4.599) 8.977 4.711 ( -4.581 -8.647 -3.580) 10.420 4.711 ( -4.581 -8.647 3.580) 10.420 5.545 ( -2.989 10.765 -8.566) 14.078 5.545 ( -2.989 10.765 8.566) 14.078 5.980 ( -6.596 -3.838 -2.897) 8.162 5.980 ( -6.596 -3.838 2.897) 8.162 7.388 ( 5.260 1.244 -5.157) 7.471 7.388 ( 5.260 1.244 5.157) 7.471 8.548 ( -6.734 -4.197 -6.409) 10.199 8.548 ( -6.734 -4.197 6.409) 10.199 9.334 ( -13.858 -2.739 -1.220) 14.179 9.334 ( -13.858 -2.739 1.220) 14.179 9.812 ( -7.807 0.780 -9.457) 12.288 9.812 ( -7.807 0.781 9.457) 12.288 10.510 ( -8.432 -1.504 -3.647) 9.310 10.510 ( -8.432 -1.504 3.647) 9.310 10.709 ( 6.732 3.754 -6.854) 10.314 10.709 ( 6.732 3.754 6.854) 10.314 10.886 ( -0.559 -4.386 -6.792) 8.105 10.886 ( -0.559 -4.386 6.792) 8.105 11.477 ( 2.311 7.032 -6.103) 9.593 11.477 ( 2.311 7.032 6.103) 9.593 11.824 ( 13.605 -6.029 -13.042) 19.787 11.824 ( 13.605 -6.029 13.042) 19.787 13.035 ( 0.303 -0.215 -3.235) 3.256 13.035 ( 0.303 -0.215 3.235) 3.256 15.298 ( -0.331 1.110 -9.442) 9.512 15.298 ( -0.331 1.110 9.442) 9.513 16.708 ( 2.397 -1.198 -8.710) 9.113 16.708 ( 2.397 -1.198 8.710) 9.113 ======================= Grid point 642 (188/219) ======================= q-point: (-0.56 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -1.574 1.985 -2.431) 3.511 2.344 ( -1.574 1.985 2.431) 3.511 2.641 ( -1.888 -1.417 -1.873) 3.014 2.641 ( -1.888 -1.417 1.873) 3.014 3.046 ( -5.715 -0.774 -2.573) 6.315 3.046 ( -5.715 -0.774 2.573) 6.315 3.379 ( -5.448 3.571 -6.233) 9.016 3.379 ( -5.448 3.571 6.233) 9.016 3.698 ( -1.214 -8.229 -6.912) 10.815 3.698 ( -1.214 -8.229 6.912) 10.815 4.506 ( 1.380 2.424 -3.212) 4.254 4.506 ( 1.380 2.424 3.212) 4.254 4.667 ( -3.592 -5.657 -2.929) 7.313 4.667 ( -3.592 -5.657 2.929) 7.313 5.392 ( -6.324 9.984 -6.979) 13.725 5.392 ( -6.324 9.984 6.979) 13.725 5.782 ( -15.765 -1.081 -4.008) 16.302 5.782 ( -15.765 -1.081 4.008) 16.302 7.474 ( 4.784 2.493 -4.161) 6.813 7.474 ( 4.784 2.493 4.161) 6.813 8.491 ( -3.686 -9.228 -6.666) 11.966 8.491 ( -3.686 -9.228 6.666) 11.966 9.095 ( -13.465 -3.641 -5.954) 15.166 9.095 ( -13.465 -3.641 5.954) 15.166 9.635 ( -9.756 1.043 -8.026) 12.676 9.635 ( -9.756 1.043 8.026) 12.676 10.333 ( -12.572 -2.669 -4.266) 13.542 10.333 ( -12.572 -2.669 4.266) 13.542 10.619 ( -9.022 -2.106 -11.950) 15.120 10.619 ( -9.022 -2.106 11.950) 15.120 11.052 ( 11.227 2.683 -15.727) 19.508 11.052 ( 11.227 2.683 15.727) 19.508 11.596 ( 14.045 2.617 -10.227) 17.570 11.596 ( 14.045 2.617 10.227) 17.570 12.126 ( 14.450 -3.400 -17.602) 23.026 12.126 ( 14.450 -3.400 17.602) 23.026 13.070 ( 3.482 -0.710 -0.839) 3.651 13.070 ( 3.482 -0.710 0.839) 3.651 15.296 ( 0.216 -0.830 -8.189) 8.233 15.296 ( 0.216 -0.830 8.189) 8.234 16.778 ( 4.426 -0.810 -8.262) 9.408 16.778 ( 4.426 -0.810 8.262) 9.408 ======================= Grid point 644 (189/219) ======================= q-point: (-0.50 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -5.011 3.313 -1.333) 6.153 2.273 ( -5.011 3.313 1.333) 6.153 2.604 ( -2.815 -2.456 -1.960) 4.219 2.604 ( -2.815 -2.456 1.960) 4.219 2.945 ( -5.811 -1.165 -2.534) 6.446 2.945 ( -5.811 -1.165 2.534) 6.446 3.276 ( -4.328 0.868 -5.974) 7.428 3.276 ( -4.328 0.868 5.974) 7.428 3.663 ( -8.191 -7.582 -5.006) 12.232 3.663 ( -8.191 -7.582 5.006) 12.232 4.426 ( -10.844 -3.949 -4.337) 12.329 4.426 ( -10.844 -3.949 4.337) 12.329 4.651 ( 0.913 5.583 -4.594) 7.288 4.651 ( 0.913 5.583 4.594) 7.288 5.229 ( -6.280 6.415 -5.144) 10.346 5.229 ( -6.280 6.415 5.144) 10.346 5.442 ( -18.572 -0.010 -5.457) 19.357 5.442 ( -18.572 -0.010 5.457) 19.357 7.528 ( 2.665 3.196 -4.412) 6.065 7.528 ( 2.665 3.196 4.412) 6.065 8.480 ( -5.845 -12.606 -7.330) 15.710 8.480 ( -5.845 -12.606 7.330) 15.710 8.889 ( -9.769 -1.287 -8.378) 12.934 8.889 ( -9.769 -1.287 8.378) 12.934 9.479 ( -6.546 -3.142 -5.371) 9.032 9.479 ( -6.546 -3.142 5.371) 9.032 10.069 ( -16.355 -2.599 -4.120) 17.065 10.069 ( -16.355 -2.599 4.120) 17.065 10.474 ( -8.282 -4.072 -12.728) 15.722 10.474 ( -8.282 -4.072 12.728) 15.722 11.253 ( 13.281 4.861 -16.795) 21.957 11.253 ( 13.281 4.861 16.795) 21.957 11.906 ( 17.921 -0.050 -13.594) 22.494 11.906 ( 17.921 -0.050 13.594) 22.494 12.351 ( 7.271 -1.390 -19.949) 21.278 12.351 ( 7.271 -1.390 19.949) 21.278 13.194 ( 10.467 0.731 -3.790) 11.156 13.194 ( 10.467 0.731 3.790) 11.156 15.317 ( 0.807 -3.624 -5.685) 6.790 15.317 ( 0.807 -3.624 5.685) 6.790 16.882 ( 6.356 -0.795 -7.928) 10.193 16.882 ( 6.356 -0.795 7.928) 10.193 ======================= Grid point 646 (190/219) ======================= q-point: (-0.44 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -10.325 6.012 -3.434) 12.431 2.103 ( -10.325 6.012 3.434) 12.431 2.578 ( -2.766 -5.352 -1.822) 6.294 2.578 ( -2.766 -5.352 1.822) 6.294 2.828 ( -6.218 4.124 -4.917) 8.936 2.828 ( -6.218 4.124 4.917) 8.936 3.195 ( -7.543 -8.813 -1.034) 11.647 3.195 ( -7.543 -8.813 1.034) 11.647 3.485 ( -13.418 -4.825 -4.441) 14.934 3.485 ( -13.418 -4.825 4.441) 14.934 4.146 ( -19.317 0.903 -4.213) 19.792 4.146 ( -19.317 0.903 4.213) 19.792 4.542 ( -12.757 10.458 -8.094) 18.375 4.542 ( -12.757 10.458 8.094) 18.375 5.024 ( -7.278 2.603 -4.510) 8.949 5.024 ( -7.278 2.603 4.510) 8.949 5.292 ( 0.390 -4.126 -5.936) 7.240 5.292 ( 0.390 -4.126 5.936) 7.240 7.536 ( -0.021 2.611 -5.152) 5.775 7.536 ( -0.021 2.611 5.152) 5.775 8.364 ( -13.632 -10.501 -7.945) 18.953 8.364 ( -13.632 -10.501 7.945) 18.953 8.727 ( -9.125 2.036 -7.353) 11.894 8.727 ( -9.125 2.036 7.353) 11.894 9.430 ( -4.150 -7.994 -0.565) 9.025 9.430 ( -4.150 -7.994 0.565) 9.025 9.825 ( -10.111 -6.911 -3.984) 12.879 9.825 ( -10.111 -6.911 3.984) 12.879 10.364 ( -5.091 -3.546 -11.878) 13.401 10.364 ( -5.091 -3.546 11.878) 13.401 11.484 ( 14.212 5.864 -13.805) 20.663 11.484 ( 14.212 5.864 13.805) 20.663 12.176 ( 7.739 0.805 -13.575) 15.647 12.176 ( 7.739 0.805 13.575) 15.647 12.435 ( 4.492 -1.121 -19.238) 19.788 12.435 ( 4.492 -1.121 19.238) 19.788 13.454 ( 18.118 3.508 -7.589) 19.954 13.454 ( 18.118 3.508 7.589) 19.954 15.366 ( 1.430 -5.908 -4.540) 7.587 15.366 ( 1.430 -5.908 4.540) 7.587 17.025 ( 8.399 -1.394 -7.834) 11.570 17.025 ( 8.399 -1.394 7.834) 11.570 ======================= Grid point 648 (191/219) ======================= q-point: (-0.38 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -13.049 7.672 -6.745) 16.572 1.841 ( -13.049 7.672 6.745) 16.572 2.466 ( -14.232 1.220 -7.917) 16.331 2.466 ( -14.232 1.220 7.917) 16.331 2.697 ( -5.085 0.756 -5.446) 7.490 2.697 ( -5.085 0.756 5.446) 7.490 3.067 ( -12.191 -14.011 -5.162) 19.276 3.067 ( -12.191 -14.011 5.162) 19.276 3.283 ( -11.275 -5.073 -1.855) 12.502 3.283 ( -11.275 -5.073 1.855) 12.502 3.761 ( -19.255 0.830 -1.934) 19.370 3.761 ( -19.255 0.830 1.934) 19.370 4.074 ( -24.716 15.467 -11.895) 31.490 4.074 ( -24.716 15.467 11.895) 31.490 5.008 ( 3.944 4.271 -3.122) 6.599 5.008 ( 3.944 4.271 3.122) 6.599 5.392 ( 4.978 -9.612 -6.289) 12.519 5.392 ( 4.978 -9.612 6.289) 12.519 7.492 ( -4.175 1.180 -4.709) 6.403 7.492 ( -4.175 1.180 4.709) 6.403 8.119 ( -17.085 -6.235 -8.664) 20.145 8.119 ( -17.085 -6.235 8.664) 20.145 8.483 ( -16.083 1.142 -5.817) 17.141 8.483 ( -16.083 1.142 5.817) 17.141 9.360 ( -4.836 -2.790 -1.549) 5.794 9.360 ( -4.836 -2.790 1.549) 5.794 9.776 ( -5.676 -14.321 -3.682) 15.838 9.776 ( -5.676 -14.321 3.682) 15.838 10.381 ( 6.127 -4.263 -11.452) 13.669 10.381 ( 6.127 -4.263 11.452) 13.669 11.689 ( 10.963 7.131 -11.498) 17.414 11.689 ( 10.963 7.131 11.498) 17.414 12.153 ( -4.370 3.665 -17.983) 18.866 12.153 ( -4.370 3.665 17.983) 18.866 12.595 ( 8.946 -1.369 -9.312) 12.985 12.595 ( 8.946 -1.369 9.312) 12.985 13.785 ( 18.820 4.961 -7.232) 20.763 13.785 ( 18.820 4.961 7.232) 20.763 15.431 ( 1.670 -6.526 -3.689) 7.680 15.431 ( 1.670 -6.526 3.689) 7.680 17.208 ( 10.043 -2.328 -7.829) 12.945 17.208 ( 10.043 -2.328 7.829) 12.945 ======================= Grid point 650 (192/219) ======================= q-point: (-0.31 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -11.781 8.350 -11.015) 18.161 1.558 ( -11.781 8.350 11.015) 18.161 2.048 ( -27.083 3.570 -6.704) 28.128 2.048 ( -27.083 3.570 6.704) 28.128 2.562 ( -9.217 2.897 -4.813) 10.794 2.562 ( -9.217 2.897 4.813) 10.794 2.956 ( -10.962 -8.874 -6.255) 15.428 2.956 ( -10.962 -8.874 6.255) 15.428 3.073 ( -11.138 -7.441 -9.025) 16.152 3.073 ( -11.138 -7.441 9.025) 16.152 3.416 ( -21.665 1.206 -2.625) 21.857 3.416 ( -21.665 1.206 2.625) 21.857 3.654 ( -6.289 8.699 -14.177) 17.783 3.654 ( -6.289 8.699 14.177) 17.783 5.053 ( 4.059 7.798 -3.932) 9.630 5.053 ( 4.059 7.798 3.932) 9.630 5.558 ( 5.415 -13.068 -6.118) 15.412 5.558 ( 5.415 -13.068 6.118) 15.412 7.312 ( -16.912 0.571 -0.725) 16.937 7.312 ( -16.912 0.571 0.725) 16.937 7.828 ( -15.053 -1.198 -7.640) 16.923 7.828 ( -15.053 -1.198 7.640) 16.923 8.173 ( -15.259 -2.588 -2.653) 15.702 8.173 ( -15.259 -2.588 2.653) 15.702 9.319 ( 0.249 5.893 -5.181) 7.850 9.319 ( 0.249 5.893 5.181) 7.850 9.721 ( -7.557 -16.468 -6.526) 19.258 9.721 ( -7.557 -16.468 6.526) 19.258 10.611 ( 12.337 -7.778 -8.303) 16.782 10.611 ( 12.337 -7.778 8.303) 16.782 11.776 ( 2.539 7.582 -15.973) 17.863 11.776 ( 2.539 7.582 15.973) 17.863 12.105 ( 3.792 5.249 -13.845) 15.285 12.105 ( 3.792 5.249 13.845) 15.285 12.716 ( 3.035 0.341 -5.219) 6.047 12.716 ( 3.035 0.341 5.219) 6.047 14.058 ( 12.689 4.778 -3.776) 14.075 14.058 ( 12.689 4.778 3.776) 14.075 15.497 ( 1.704 -5.445 -2.556) 6.252 15.497 ( 1.704 -5.445 2.556) 6.252 17.418 ( 10.380 -3.765 -7.487) 13.341 17.418 ( 10.380 -3.765 7.487) 13.341 ======================= Grid point 652 (193/219) ======================= q-point: (-0.25 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -6.570 7.764 -15.626) 18.645 1.337 ( -6.570 7.764 15.626) 18.645 1.504 ( -25.605 5.900 -7.318) 27.276 1.504 ( -25.605 5.900 7.318) 27.276 2.369 ( -8.674 0.938 -4.297) 9.725 2.369 ( -8.674 0.938 4.297) 9.725 2.700 ( -12.236 2.956 -3.819) 13.155 2.700 ( -12.236 2.956 3.819) 13.155 2.917 ( -13.071 7.212 -4.262) 15.525 2.917 ( -13.071 7.212 4.262) 15.525 3.167 ( -1.442 -7.073 -3.359) 7.962 3.167 ( -1.442 -7.073 3.359) 7.962 3.632 ( 0.173 -8.605 -3.362) 9.240 3.632 ( 0.173 -8.605 3.362) 9.240 5.062 ( 2.258 9.950 -5.668) 11.671 5.062 ( 2.258 9.950 5.668) 11.671 5.723 ( 3.903 -13.723 -6.307) 15.599 5.723 ( 3.903 -13.723 6.307) 15.599 6.857 ( -26.172 5.927 -2.733) 26.974 6.857 ( -26.172 5.927 2.733) 26.974 7.618 ( -7.643 0.128 -5.717) 9.545 7.618 ( -7.643 0.128 5.717) 9.545 7.989 ( -6.326 -1.933 -3.340) 7.410 7.989 ( -6.326 -1.933 3.340) 7.410 9.245 ( -1.122 18.160 -10.443) 20.979 9.245 ( -1.122 18.160 10.443) 20.979 9.755 ( -0.784 -22.536 -10.063) 24.693 9.755 ( -0.784 -22.536 10.063) 24.693 10.851 ( 7.102 -9.578 -2.484) 12.180 10.851 ( 7.102 -9.578 2.484) 12.180 11.743 ( -0.395 6.557 -18.785) 19.900 11.743 ( -0.395 6.557 18.785) 19.900 12.228 ( 11.525 5.297 -3.256) 13.095 12.228 ( 11.525 5.297 3.256) 13.095 12.689 ( -5.149 2.474 -2.898) 6.405 12.689 ( -5.149 2.474 2.898) 6.405 14.194 ( 4.841 3.758 -3.172) 6.901 14.194 ( 4.841 3.758 3.172) 6.901 15.552 ( 1.279 -3.436 -9.515) 10.197 15.552 ( 1.279 -3.436 9.515) 10.197 17.619 ( 7.619 -6.125 -6.760) 11.885 17.619 ( 7.619 -6.125 6.760) 11.885 ======================= Grid point 654 (194/219) ======================= q-point: (-0.19 0.19 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 9.462 -9.969) 13.744 1.172 ( 0.000 9.462 9.969) 13.744 1.249 ( 0.000 4.195 -20.263) 20.693 1.249 ( 0.000 4.195 20.263) 20.693 2.283 ( -0.000 -1.551 -3.326) 3.670 2.283 ( -0.000 -1.551 3.326) 3.670 2.565 ( 0.000 1.701 -2.017) 2.639 2.565 ( 0.000 1.701 2.017) 2.639 2.690 ( 0.000 21.416 -21.939) 30.659 2.690 ( 0.000 21.416 21.939) 30.659 3.234 ( -0.000 -13.507 -8.848) 16.147 3.234 ( -0.000 -13.507 8.848) 16.147 3.705 ( -0.000 -14.238 -1.788) 14.350 3.705 ( -0.000 -14.238 1.788) 14.350 5.024 ( 0.000 10.934 -6.610) 12.777 5.024 ( 0.000 10.934 6.610) 12.777 5.842 ( -0.000 -12.772 -6.945) 14.538 5.842 ( -0.000 -12.772 6.945) 14.538 6.498 ( 0.000 12.340 -4.490) 13.131 6.498 ( 0.000 12.340 4.490) 13.131 7.547 ( -0.000 -0.498 -3.996) 4.027 7.547 ( -0.000 -0.498 3.996) 4.027 7.933 ( 0.000 1.981 -4.041) 4.500 7.933 ( 0.000 1.981 4.041) 4.500 9.106 ( 0.000 24.122 -12.631) 27.229 9.106 ( 0.000 24.122 12.631) 27.229 9.893 ( -0.000 -24.905 -11.065) 27.252 9.893 ( -0.000 -24.905 11.065) 27.252 10.972 ( -0.000 -9.826 -0.973) 9.874 10.972 ( -0.000 -9.826 0.973) 9.874 11.707 ( 0.000 4.797 -17.474) 18.121 11.707 ( 0.000 4.797 17.474) 18.121 12.387 ( 0.000 2.896 -0.612) 2.960 12.387 ( 0.000 2.896 0.612) 2.960 12.551 ( 0.000 5.199 -1.301) 5.359 12.551 ( 0.000 5.199 1.301) 5.359 14.216 ( 0.000 3.079 -4.436) 5.400 14.216 ( 0.000 3.079 4.436) 5.400 15.579 ( -0.000 -2.006 -12.612) 12.771 15.579 ( -0.000 -2.006 12.612) 12.771 17.739 ( -0.000 -8.190 -6.278) 10.320 17.739 ( -0.000 -8.190 6.278) 10.320 ======================= Grid point 668 (195/219) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 2.570 0.000 -1.721) 3.093 2.341 ( 2.570 0.000 1.721) 3.093 2.711 ( -3.470 -0.000 -0.798) 3.560 2.711 ( -3.470 -0.000 0.798) 3.560 3.204 ( 0.459 0.000 -1.197) 1.282 3.204 ( 0.459 0.000 1.197) 1.282 3.442 ( 0.621 0.000 -1.633) 1.747 3.442 ( 0.621 0.000 1.633) 1.747 3.861 ( -10.827 -0.000 -0.109) 10.828 3.861 ( -10.827 -0.000 0.109) 10.828 4.334 ( 5.148 0.000 -3.519) 6.236 4.334 ( 5.148 0.000 3.519) 6.236 4.676 ( -0.049 -0.000 -3.943) 3.943 4.676 ( -0.049 -0.000 3.943) 3.943 5.670 ( 2.324 0.000 -12.055) 12.277 5.670 ( 2.324 0.000 12.055) 12.277 5.941 ( 4.038 0.000 -0.704) 4.099 5.941 ( 4.038 0.000 0.704) 4.099 7.306 ( 3.863 0.000 -6.835) 7.851 7.306 ( 3.863 0.000 6.835) 7.851 8.682 ( -9.623 -0.000 -4.378) 10.572 8.682 ( -9.623 -0.000 4.378) 10.572 9.562 ( -11.378 -0.000 -3.408) 11.878 9.562 ( -11.378 -0.000 3.408) 11.878 9.899 ( -1.243 -0.000 -11.839) 11.904 9.899 ( -1.243 -0.000 11.839) 11.904 10.441 ( 15.012 0.000 -4.984) 15.817 10.441 ( 15.012 0.000 4.984) 15.817 10.699 ( -9.428 -0.000 -5.665) 10.999 10.699 ( -9.428 -0.000 5.665) 10.999 10.982 ( -7.138 -0.000 -2.443) 7.544 10.982 ( -7.138 -0.000 2.443) 7.544 11.443 ( 13.549 0.000 -12.087) 18.157 11.443 ( 13.549 0.000 12.087) 18.157 11.676 ( -8.948 -0.000 -4.805) 10.156 11.676 ( -8.948 -0.000 4.805) 10.156 13.050 ( -1.505 -0.000 -3.019) 3.374 13.050 ( -1.505 -0.000 3.019) 3.374 15.327 ( -1.073 -0.000 -8.550) 8.617 15.327 ( -1.073 -0.000 8.550) 8.617 16.675 ( -0.456 -0.000 -9.385) 9.396 16.675 ( -0.456 -0.000 9.385) 9.396 ======================= Grid point 670 (196/219) ======================= q-point: (-0.69 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 1.145 0.620 -3.941) 4.151 2.376 ( 1.145 0.620 3.941) 4.151 2.653 ( -2.753 -0.571 -1.119) 3.026 2.653 ( -2.753 -0.571 1.119) 3.026 3.163 ( -4.259 1.432 -0.268) 4.502 3.163 ( -4.260 1.432 0.268) 4.502 3.466 ( 0.269 -1.663 -4.926) 5.206 3.466 ( 0.269 -1.663 4.926) 5.206 3.674 ( -7.578 -0.093 -5.313) 9.255 3.674 ( -7.578 -0.093 5.313) 9.255 4.463 ( 7.860 1.470 -3.439) 8.705 4.463 ( 7.860 1.470 3.439) 8.705 4.640 ( -4.437 -3.447 -4.745) 7.354 4.640 ( -4.437 -3.447 4.745) 7.354 5.637 ( -3.957 4.847 -11.160) 12.795 5.637 ( -3.957 4.847 11.160) 12.795 5.939 ( -5.380 -2.519 -0.891) 6.007 5.939 ( -5.380 -2.519 0.891) 6.007 7.397 ( 5.638 0.427 -4.834) 7.439 7.397 ( 5.638 0.427 4.834) 7.439 8.515 ( -8.171 -1.483 -5.822) 10.142 8.515 ( -8.171 -1.483 5.822) 10.142 9.312 ( -14.520 -1.030 -2.238) 14.728 9.312 ( -14.520 -1.030 2.238) 14.728 9.820 ( -6.966 0.435 -8.806) 11.236 9.820 ( -6.966 0.435 8.806) 11.237 10.498 ( -9.972 -0.606 -2.471) 10.291 10.498 ( -9.972 -0.606 2.471) 10.291 10.745 ( 7.643 2.162 -6.566) 10.305 10.745 ( 7.642 2.162 6.566) 10.305 10.845 ( -0.692 -2.473 -3.867) 4.642 10.845 ( -0.692 -2.473 3.868) 4.642 11.549 ( -0.666 4.643 -3.728) 5.992 11.549 ( -0.666 4.643 3.728) 5.992 11.759 ( 16.363 -4.246 -15.235) 22.758 11.759 ( 16.363 -4.246 15.235) 22.758 13.034 ( -0.010 -0.059 -2.664) 2.665 13.034 ( -0.010 -0.059 2.664) 2.665 15.308 ( -0.920 0.492 -7.848) 7.917 15.308 ( -0.920 0.492 7.848) 7.917 16.698 ( 2.634 -0.490 -8.494) 8.907 16.698 ( 2.634 -0.490 8.494) 8.907 ======================= Grid point 672 (197/219) ======================= q-point: (-0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -1.048 2.196 -5.028) 5.586 2.369 ( -1.048 2.196 5.028) 5.586 2.616 ( -2.338 -2.406 -1.608) 3.720 2.616 ( -2.338 -2.406 1.608) 3.720 3.043 ( -7.370 0.220 -1.272) 7.482 3.043 ( -7.370 0.220 1.272) 7.482 3.425 ( -3.622 4.060 -6.683) 8.618 3.425 ( -3.622 4.060 6.683) 8.618 3.615 ( -2.003 -6.061 -8.776) 10.852 3.615 ( -2.003 -6.061 8.776) 10.852 4.507 ( -5.489 -1.580 -2.134) 6.098 4.507 ( -5.489 -1.580 2.134) 6.098 4.635 ( 4.675 -0.550 -4.927) 6.814 4.635 ( 4.675 -0.550 4.927) 6.814 5.487 ( -8.097 6.443 -9.162) 13.821 5.487 ( -8.097 6.443 9.162) 13.821 5.764 ( -14.661 -1.845 -2.580) 15.000 5.764 ( -14.661 -1.845 2.580) 15.000 7.495 ( 5.059 1.290 -3.545) 6.311 7.495 ( 5.059 1.290 3.545) 6.311 8.409 ( -5.142 -4.949 -6.449) 9.619 8.409 ( -5.142 -4.949 6.449) 9.619 9.060 ( -13.072 -2.252 -6.927) 14.964 9.060 ( -13.072 -2.252 6.927) 14.964 9.649 ( -10.302 1.140 -6.407) 12.185 9.649 ( -10.302 1.140 6.407) 12.185 10.307 ( -12.032 -1.625 -2.522) 12.401 10.307 ( -12.032 -1.625 2.522) 12.401 10.598 ( -10.885 -1.387 -12.057) 16.303 10.598 ( -10.885 -1.387 12.057) 16.303 11.073 ( 12.924 1.134 -16.448) 20.948 11.073 ( 12.924 1.134 16.448) 20.948 11.632 ( 12.199 3.082 -9.008) 15.474 11.632 ( 12.199 3.082 9.008) 15.474 12.087 ( 15.637 -3.113 -18.727) 24.595 12.087 ( 15.637 -3.113 18.727) 24.595 13.064 ( 3.610 -0.406 -0.881) 3.738 13.064 ( 3.610 -0.406 0.881) 3.738 15.289 ( -0.961 -0.360 -6.662) 6.740 15.289 ( -0.961 -0.360 6.662) 6.740 16.770 ( 4.694 -0.475 -7.679) 9.012 16.770 ( 4.694 -0.475 7.679) 9.012 ======================= Grid point 674 (198/219) ======================= q-point: (-0.56 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -3.915 3.105 -3.909) 6.344 2.310 ( -3.915 3.105 3.909) 6.344 2.577 ( -3.600 -2.279 -1.627) 4.561 2.577 ( -3.600 -2.279 1.627) 4.561 2.919 ( -6.120 -2.784 -1.513) 6.891 2.919 ( -6.120 -2.784 1.513) 6.891 3.311 ( -6.208 4.441 -7.056) 10.395 3.311 ( -6.208 4.441 7.056) 10.395 3.586 ( -6.105 -5.911 -7.802) 11.536 3.586 ( -6.105 -5.911 7.802) 11.536 4.376 ( -9.945 -4.187 -4.673) 11.759 4.376 ( -9.945 -4.187 4.673) 11.759 4.707 ( 2.908 4.062 -3.693) 6.213 4.707 ( 2.908 4.062 3.693) 6.213 5.295 ( -8.675 5.034 -6.624) 12.020 5.295 ( -8.675 5.034 6.624) 12.020 5.438 ( -19.334 -0.708 -4.805) 19.934 5.438 ( -19.334 -0.708 4.805) 19.934 7.559 ( 2.632 2.223 -3.757) 5.098 7.559 ( 2.632 2.223 3.757) 5.098 8.359 ( -5.585 -8.522 -7.379) 12.581 8.359 ( -5.585 -8.522 7.379) 12.581 8.872 ( -7.935 -1.605 -9.276) 12.312 8.872 ( -7.935 -1.605 9.276) 12.312 9.456 ( -9.515 -1.157 -4.410) 10.551 9.456 ( -9.515 -1.157 4.410) 10.551 10.044 ( -16.825 -1.742 -2.071) 17.041 10.044 ( -16.825 -1.742 2.071) 17.041 10.433 ( -8.000 -2.941 -13.370) 15.856 10.433 ( -8.000 -2.941 13.370) 15.856 11.297 ( 13.332 2.909 -17.674) 22.329 11.297 ( 13.332 2.909 17.674) 22.329 11.914 ( 17.393 1.196 -12.841) 21.652 11.914 ( 17.393 1.196 12.841) 21.652 12.332 ( 8.155 -1.775 -20.274) 21.925 12.332 ( 8.155 -1.775 20.275) 21.925 13.200 ( 11.823 0.478 -3.503) 12.340 13.200 ( 11.823 0.478 3.503) 12.340 15.281 ( -0.644 -2.657 -4.355) 5.142 15.281 ( -0.644 -2.657 4.355) 5.142 16.875 ( 6.332 -0.421 -6.893) 9.369 16.875 ( 6.332 -0.421 6.893) 9.369 ======================= Grid point 676 (199/219) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -8.731 5.551 -3.129) 10.809 2.171 ( -8.731 5.551 3.129) 10.809 2.523 ( -3.554 -3.787 -1.631) 5.443 2.523 ( -3.554 -3.787 1.631) 5.443 2.845 ( -4.279 -1.859 -2.126) 5.127 2.845 ( -4.279 -1.859 2.126) 5.127 3.128 ( -12.923 -2.761 -1.581) 13.309 3.128 ( -12.923 -2.761 1.581) 13.309 3.444 ( -10.990 -2.212 -7.164) 13.304 3.444 ( -10.990 -2.212 7.164) 13.304 4.150 ( -16.559 -0.032 -4.190) 17.081 4.150 ( -16.559 -0.032 4.190) 17.081 4.645 ( -9.657 7.722 -6.494) 13.967 4.645 ( -9.657 7.722 6.494) 13.967 5.039 ( -11.076 0.158 -4.688) 12.028 5.039 ( -11.076 0.158 4.688) 12.028 5.257 ( -1.511 -2.032 -4.949) 5.560 5.257 ( -1.511 -2.032 4.949) 5.560 7.564 ( -0.728 2.249 -4.689) 5.251 7.564 ( -0.728 2.249 4.689) 5.251 8.254 ( -11.212 -8.467 -8.369) 16.354 8.254 ( -11.212 -8.467 8.369) 16.354 8.753 ( -7.050 2.422 -7.995) 10.931 8.753 ( -7.050 2.422 7.995) 10.931 9.342 ( -4.852 -7.193 -0.832) 8.717 9.342 ( -4.852 -7.193 0.832) 8.717 9.755 ( -14.406 -5.251 -2.874) 15.600 9.755 ( -14.406 -5.251 2.874) 15.600 10.333 ( -3.981 -2.094 -12.597) 13.376 10.333 ( -3.981 -2.094 12.597) 13.376 11.539 ( 14.321 3.921 -14.149) 20.510 11.539 ( 14.321 3.921 14.149) 20.510 12.185 ( 9.175 0.780 -12.652) 15.648 12.185 ( 9.175 0.780 12.652) 15.648 12.426 ( 4.340 -0.558 -18.542) 19.051 12.426 ( 4.340 -0.558 18.542) 19.051 13.492 ( 19.495 3.042 -7.795) 21.215 13.492 ( 19.495 3.042 7.795) 21.215 15.301 ( 0.395 -5.375 -2.949) 6.143 15.301 ( 0.395 -5.375 2.949) 6.143 17.013 ( 8.127 -0.826 -6.391) 10.372 17.013 ( 8.127 -0.826 6.391) 10.372 ======================= Grid point 678 (200/219) ======================= q-point: (-0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -11.677 8.499 -4.527) 15.135 1.935 ( -11.677 8.499 4.527) 15.135 2.448 ( -10.291 -2.832 -2.733) 11.018 2.448 ( -10.291 -2.832 2.733) 11.018 2.721 ( -8.396 1.715 -3.810) 9.378 2.721 ( -8.396 1.715 3.810) 9.378 2.922 ( -11.491 -11.196 -3.906) 16.513 2.922 ( -11.491 -11.196 3.906) 16.513 3.233 ( -12.837 -3.555 -4.169) 13.957 3.233 ( -12.837 -3.555 4.169) 13.957 3.776 ( -21.980 1.574 -1.535) 22.089 3.776 ( -21.980 1.574 1.535) 22.089 4.250 ( -20.423 15.535 -11.945) 28.304 4.250 ( -20.423 15.535 11.945) 28.304 5.020 ( 3.881 -2.900 -5.833) 7.583 5.020 ( 3.881 -2.900 5.833) 7.583 5.299 ( 2.734 -5.811 -5.847) 8.685 5.299 ( 2.734 -5.811 5.847) 8.685 7.506 ( -4.821 1.248 -4.185) 6.505 7.506 ( -4.821 1.248 4.185) 6.505 8.050 ( -14.503 -5.782 -8.524) 17.788 8.050 ( -14.503 -5.782 8.524) 17.788 8.510 ( -17.288 3.291 -5.476) 18.431 8.510 ( -17.288 3.291 5.476) 18.431 9.319 ( -1.997 -3.977 -0.688) 4.503 9.319 ( -1.997 -3.977 0.688) 4.503 9.621 ( -6.477 -13.080 -3.103) 14.922 9.621 ( -6.477 -13.080 3.103) 14.922 10.343 ( 4.611 -2.574 -12.172) 13.268 10.343 ( 4.611 -2.574 12.172) 13.268 11.760 ( 11.453 5.451 -10.345) 16.367 11.760 ( 11.453 5.451 10.345) 16.367 12.192 ( -3.349 3.054 -15.389) 16.042 12.192 ( -3.349 3.054 15.389) 16.042 12.583 ( 9.593 -0.670 -7.972) 12.491 12.583 ( 9.593 -0.670 7.972) 12.491 13.841 ( 19.168 4.790 -7.294) 21.061 13.841 ( 19.168 4.790 7.294) 21.061 15.355 ( 1.631 -6.748 -2.588) 7.409 15.355 ( 1.631 -6.748 2.588) 7.409 17.186 ( 9.613 -1.640 -6.293) 11.606 17.186 ( 9.613 -1.640 6.293) 11.606 ======================= Grid point 680 (201/219) ======================= q-point: (-0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -10.663 10.452 -6.964) 16.475 1.667 ( -10.663 10.452 6.964) 16.475 2.081 ( -25.960 2.633 -3.872) 26.379 2.081 ( -25.960 2.633 3.872) 26.379 2.592 ( -8.327 1.729 -3.592) 9.233 2.592 ( -8.327 1.729 3.592) 9.233 2.808 ( -7.427 -13.977 -4.831) 16.549 2.808 ( -7.427 -13.977 4.831) 16.549 3.023 ( -12.645 -3.947 -4.108) 13.868 3.023 ( -12.645 -3.947 4.108) 13.868 3.372 ( -20.364 -5.299 -3.352) 21.307 3.372 ( -20.364 -5.299 3.352) 21.307 3.842 ( -10.528 20.865 -19.372) 30.355 3.842 ( -10.528 20.865 19.372) 30.355 5.114 ( 4.745 1.865 -4.679) 6.920 5.114 ( 4.745 1.865 4.679) 6.920 5.410 ( 3.581 -11.932 -5.831) 13.755 5.410 ( 3.581 -11.932 5.831) 13.755 7.329 ( -14.859 2.138 -0.407) 15.018 7.329 ( -14.859 2.138 0.407) 15.018 7.812 ( -12.521 -1.817 -6.607) 14.273 7.812 ( -12.521 -1.817 6.607) 14.273 8.149 ( -17.758 -1.481 -1.821) 17.912 8.149 ( -17.758 -1.481 1.821) 17.912 9.321 ( -0.821 -5.755 -3.386) 6.728 9.321 ( -0.821 -5.755 3.386) 6.728 9.591 ( -2.915 -5.979 -4.502) 8.032 9.591 ( -2.915 -5.979 4.502) 8.032 10.525 ( 10.405 -7.088 -8.921) 15.431 10.525 ( 10.405 -7.088 8.921) 15.431 11.864 ( 3.119 7.790 -16.095) 18.151 11.864 ( 3.119 7.790 16.095) 18.151 12.159 ( 4.061 4.283 -13.602) 14.827 12.159 ( 4.061 4.283 13.602) 14.827 12.718 ( 3.977 0.119 -5.213) 6.557 12.718 ( 3.977 0.119 5.213) 6.557 14.112 ( 12.169 4.685 -3.113) 13.406 14.112 ( 12.169 4.685 3.113) 13.406 15.432 ( 2.559 -6.001 -3.543) 7.424 15.432 ( 2.559 -6.001 3.543) 7.424 17.380 ( 9.640 -2.844 -6.190) 11.804 17.380 ( 9.640 -2.844 6.190) 11.804 ======================= Grid point 682 (202/219) ======================= q-point: (-0.31 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -6.304 10.740 -9.903) 15.911 1.445 ( -6.304 10.740 9.903) 15.911 1.573 ( -22.875 6.667 -4.466) 24.242 1.573 ( -22.875 6.667 4.466) 24.242 2.377 ( -10.902 0.587 -3.586) 11.492 2.377 ( -10.902 0.587 3.586) 11.492 2.723 ( -11.349 0.500 -3.301) 11.830 2.723 ( -11.349 0.500 3.301) 11.830 2.852 ( -5.264 -13.154 -13.675) 19.691 2.852 ( -5.264 -13.154 13.675) 19.691 3.150 ( -6.606 -2.686 -4.829) 8.612 3.150 ( -6.606 -2.686 4.829) 8.612 3.639 ( -2.076 11.565 -16.948) 20.622 3.639 ( -2.076 11.565 16.948) 20.622 5.159 ( 2.561 6.569 -4.616) 8.427 5.159 ( 2.561 6.569 4.616) 8.427 5.554 ( 2.926 -15.808 -5.344) 16.941 5.554 ( 2.926 -15.808 5.344) 16.941 6.940 ( -20.383 8.428 -3.626) 22.352 6.940 ( -20.383 8.428 3.626) 22.352 7.620 ( -8.088 0.088 -5.642) 9.862 7.620 ( -8.088 0.088 5.642) 9.862 7.947 ( -6.352 -5.126 -2.711) 8.600 7.947 ( -6.352 -5.126 2.711) 8.600 9.333 ( -2.345 -7.588 -6.520) 10.276 9.333 ( -2.345 -7.588 6.520) 10.276 9.599 ( 2.261 0.410 -9.073) 9.360 9.599 ( 2.261 0.410 9.073) 9.360 10.741 ( 6.386 -9.728 -2.628) 11.930 10.741 ( 6.386 -9.728 2.628) 11.930 11.832 ( -0.112 8.953 -20.697) 22.550 11.832 ( -0.112 8.953 20.697) 22.550 12.282 ( 10.424 4.164 -3.495) 11.757 12.282 ( 10.424 4.164 3.495) 11.757 12.713 ( -3.966 1.808 -3.214) 5.415 12.713 ( -3.966 1.808 3.214) 5.415 14.237 ( 4.256 3.706 -3.829) 6.820 14.237 ( 4.256 3.706 3.829) 6.820 15.508 ( 2.199 -4.190 -10.507) 11.524 15.508 ( 2.199 -4.190 10.507) 11.524 17.559 ( 6.675 -4.602 -5.991) 10.081 17.559 ( 6.675 -4.602 5.991) 10.081 ======================= Grid point 684 (203/219) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 8.560 -6.537) 10.771 1.275 ( 0.000 8.560 6.537) 10.771 1.333 ( 0.000 10.555 -12.796) 16.588 1.333 ( 0.000 10.555 12.796) 16.588 2.267 ( -0.000 -1.254 -3.212) 3.448 2.267 ( -0.000 -1.254 3.212) 3.448 2.584 ( 0.000 1.575 -2.250) 2.746 2.584 ( 0.000 1.575 2.250) 2.746 2.845 ( 0.000 0.976 -9.336) 9.387 2.845 ( 0.000 0.976 9.336) 9.387 3.117 ( -0.000 -4.606 -8.797) 9.929 3.117 ( -0.000 -4.606 8.797) 9.929 3.601 ( -0.000 -1.733 -8.503) 8.678 3.601 ( -0.000 -1.733 8.503) 8.678 5.138 ( 0.000 8.855 -5.417) 10.381 5.138 ( 0.000 8.855 5.417) 10.381 5.677 ( -0.000 -16.138 -5.736) 17.127 5.677 ( -0.000 -16.138 5.736) 17.127 6.647 ( 0.000 13.626 -4.421) 14.325 6.647 ( 0.000 13.626 4.421) 14.325 7.542 ( -0.000 -0.497 -3.947) 3.978 7.542 ( -0.000 -0.497 3.947) 3.978 7.920 ( -0.000 -3.673 -3.113) 4.815 7.920 ( -0.000 -3.673 3.113) 4.815 9.314 ( 0.000 7.499 -8.239) 11.141 9.314 ( 0.000 7.499 8.239) 11.141 9.655 ( -0.000 -12.047 -10.773) 16.161 9.655 ( -0.000 -12.047 10.773) 16.161 10.856 ( -0.000 -10.336 -0.997) 10.384 10.856 ( -0.000 -10.336 0.997) 10.384 11.780 ( 0.000 8.135 -20.675) 22.218 11.780 ( 0.000 8.135 20.675) 22.218 12.417 ( 0.000 2.498 -0.624) 2.574 12.417 ( 0.000 2.498 0.624) 2.574 12.606 ( 0.000 4.357 -2.205) 4.883 12.606 ( 0.000 4.357 2.205) 4.883 14.252 ( 0.000 3.294 -5.348) 6.281 14.252 ( 0.000 3.294 5.348) 6.281 15.550 ( -0.000 -3.061 -13.738) 14.075 15.550 ( -0.000 -3.061 13.738) 14.075 17.657 ( -0.000 -6.266 -6.124) 8.762 17.657 ( -0.000 -6.266 6.124) 8.762 ======================= Grid point 702 (204/219) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.752 -0.000 -6.368) 6.413 2.384 ( -0.752 -0.000 6.368) 6.413 2.600 ( -2.615 -0.000 -0.901) 2.766 2.600 ( -2.615 -0.000 0.901) 2.766 3.046 ( -8.145 -0.000 -0.520) 8.161 3.046 ( -8.145 -0.000 0.520) 8.161 3.454 ( -1.946 -0.000 -6.228) 6.525 3.454 ( -1.946 -0.000 6.228) 6.525 3.575 ( -3.105 -0.000 -9.974) 10.446 3.575 ( -3.105 -0.000 9.974) 10.446 4.495 ( -7.422 -0.000 -3.066) 8.031 4.495 ( -7.422 -0.000 3.066) 8.031 4.634 ( 7.061 0.000 -5.457) 8.924 4.634 ( 7.061 0.000 5.457) 8.924 5.527 ( -8.885 -0.000 -10.565) 13.804 5.527 ( -8.885 -0.000 10.565) 13.804 5.751 ( -14.070 -0.000 -1.328) 14.133 5.751 ( -14.070 -0.000 1.328) 14.133 7.503 ( 5.160 0.000 -3.316) 6.134 7.503 ( 5.160 0.000 3.316) 6.134 8.381 ( -5.644 -0.000 -6.358) 8.502 8.381 ( -5.644 -0.000 6.358) 8.502 9.047 ( -12.976 -0.000 -7.302) 14.889 9.047 ( -12.976 -0.000 7.302) 14.889 9.656 ( -10.487 -0.000 -5.750) 11.960 9.656 ( -10.487 -0.000 5.750) 11.960 10.298 ( -11.786 -0.000 -1.804) 11.924 10.298 ( -11.786 -0.000 1.804) 11.924 10.590 ( -11.529 -0.000 -12.050) 16.677 10.590 ( -11.529 -0.000 12.050) 16.677 11.079 ( 13.501 0.000 -16.618) 21.411 11.079 ( 13.501 0.000 16.618) 21.411 11.652 ( 11.282 0.000 -8.259) 13.982 11.652 ( 11.282 0.000 8.259) 13.982 12.067 ( 16.313 0.000 -19.388) 25.337 12.067 ( 16.313 0.000 19.388) 25.337 13.061 ( 3.643 0.000 -0.896) 3.752 13.061 ( 3.643 0.000 0.896) 3.752 15.287 ( -1.418 -0.000 -5.917) 6.084 15.287 ( -1.418 -0.000 5.917) 6.084 16.768 ( 4.816 0.000 -7.450) 8.872 16.768 ( 4.816 0.000 7.450) 8.872 ======================= Grid point 706 (205/219) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -3.800 1.519 -6.782) 7.921 2.338 ( -3.800 1.519 6.782) 7.921 2.555 ( -2.852 -1.221 -0.653) 3.171 2.555 ( -2.852 -1.221 0.653) 3.171 2.894 ( -7.544 -1.193 -0.741) 7.673 2.894 ( -7.544 -1.193 0.741) 7.673 3.356 ( -8.074 2.712 -5.526) 10.153 3.356 ( -8.074 2.712 5.526) 10.153 3.535 ( -3.486 -2.736 -10.820) 11.692 3.535 ( -3.486 -2.736 10.820) 11.692 4.341 ( -9.199 -1.749 -4.680) 10.468 4.341 ( -9.199 -1.749 4.680) 10.468 4.739 ( 3.506 1.435 -2.830) 4.729 4.739 ( 3.506 1.435 2.830) 4.729 5.338 ( -9.911 2.250 -8.564) 13.290 5.338 ( -9.911 2.250 8.564) 13.290 5.428 ( -19.675 -0.725 -3.318) 19.966 5.428 ( -19.675 -0.725 3.318) 19.966 7.577 ( 2.724 0.810 -3.377) 4.414 7.577 ( 2.724 0.810 3.377) 4.414 8.293 ( -5.560 -3.011 -7.383) 9.721 8.293 ( -5.560 -3.011 7.383) 9.721 8.858 ( -6.934 -0.731 -9.769) 12.002 8.858 ( -6.934 -0.731 9.769) 12.002 9.449 ( -11.264 -0.226 -3.809) 11.893 9.449 ( -11.264 -0.226 3.809) 11.893 10.031 ( -17.064 -0.582 -0.778) 17.092 10.031 ( -17.064 -0.582 0.778) 17.092 10.410 ( -7.665 -1.098 -13.695) 15.733 10.410 ( -7.665 -1.098 13.695) 15.733 11.319 ( 13.404 0.942 -17.956) 22.427 11.319 ( 13.404 0.942 17.956) 22.427 11.927 ( 16.674 0.733 -12.148) 20.643 11.927 ( 16.674 0.733 12.148) 20.643 12.316 ( 9.002 -0.842 -20.574) 22.473 12.316 ( 9.002 -0.842 20.574) 22.473 13.204 ( 12.618 0.163 -3.324) 13.050 13.204 ( 12.618 0.163 3.324) 13.050 15.260 ( -1.558 -0.977 -3.416) 3.880 15.260 ( -1.558 -0.977 3.416) 3.880 16.872 ( 6.352 -0.127 -6.276) 8.930 16.872 ( 6.352 -0.127 6.276) 8.930 ======================= Grid point 708 (206/219) ======================= q-point: (-0.56 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -7.678 2.981 -4.991) 9.630 2.221 ( -7.678 2.981 4.991) 9.631 2.499 ( -3.567 -0.561 -2.338) 4.302 2.499 ( -3.567 -0.561 2.338) 4.302 2.801 ( -4.252 -4.393 -0.782) 6.163 2.801 ( -4.252 -4.393 0.782) 6.163 3.118 ( -16.584 -0.042 -2.446) 16.764 3.118 ( -16.584 -0.042 2.446) 16.764 3.433 ( -8.815 -0.027 -9.026) 12.616 3.433 ( -8.815 -0.027 9.026) 12.616 4.147 ( -13.932 -0.431 -4.041) 14.513 4.147 ( -13.932 -0.431 4.041) 14.513 4.713 ( -6.075 4.178 -4.069) 8.421 4.713 ( -6.075 4.178 4.069) 8.421 5.034 ( -16.610 -0.780 -3.430) 16.979 5.034 ( -16.610 -0.780 3.430) 16.979 5.244 ( -1.886 -0.523 -3.433) 3.952 5.244 ( -1.886 -0.523 3.433) 3.952 7.585 ( -1.218 1.390 -4.345) 4.722 7.585 ( -1.218 1.390 4.345) 4.722 8.179 ( -9.513 -4.724 -8.316) 13.489 8.179 ( -9.513 -4.724 8.316) 13.489 8.777 ( -4.393 1.593 -8.843) 10.002 8.777 ( -4.393 1.593 8.843) 10.002 9.275 ( -6.931 -4.348 -1.320) 8.287 9.275 ( -6.931 -4.348 1.320) 8.287 9.709 ( -17.117 -2.799 -1.606) 17.419 9.709 ( -17.117 -2.799 1.606) 17.419 10.316 ( -3.033 -0.971 -13.066) 13.449 10.316 ( -3.033 -0.971 13.066) 13.449 11.572 ( 14.381 1.937 -14.177) 20.287 11.572 ( 14.381 1.937 14.177) 20.287 12.193 ( 9.547 0.511 -12.032) 15.368 12.193 ( 9.547 0.511 12.032) 15.368 12.421 ( 4.806 -0.221 -17.566) 18.213 12.421 ( 4.806 -0.221 17.566) 18.213 13.520 ( 20.592 1.813 -7.888) 22.125 13.520 ( 20.592 1.813 7.888) 22.125 15.251 ( -0.464 -3.243 -1.470) 3.591 15.251 ( -0.464 -3.243 1.470) 3.591 17.006 ( 7.948 -0.365 -5.268) 9.543 17.006 ( 7.948 -0.365 5.268) 9.543 ======================= Grid point 710 (207/219) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -10.486 6.300 -4.517) 13.041 2.022 ( -10.486 6.300 4.517) 13.041 2.425 ( -6.759 -0.872 -3.149) 7.508 2.425 ( -6.759 -0.872 3.149) 7.508 2.715 ( -12.948 -2.693 -2.080) 13.387 2.715 ( -12.948 -2.693 2.080) 13.387 2.821 ( -9.875 -6.515 -3.045) 12.216 2.821 ( -9.875 -6.515 3.045) 12.216 3.208 ( -14.988 -0.878 -5.845) 16.111 3.208 ( -14.988 -0.878 5.845) 16.111 3.793 ( -23.307 1.328 -1.712) 23.408 3.793 ( -23.307 1.328 1.712) 23.408 4.425 ( -14.977 15.353 -11.193) 24.193 4.425 ( -14.977 15.353 11.193) 24.193 4.938 ( 0.254 -10.873 -7.648) 13.296 4.938 ( 0.254 -10.873 7.648) 13.296 5.267 ( 2.756 -0.649 -3.825) 4.759 5.267 ( 2.756 -0.649 3.825) 4.759 7.519 ( -5.259 0.966 -3.713) 6.510 7.519 ( -5.259 0.966 3.713) 6.510 7.994 ( -12.547 -3.937 -7.965) 15.374 7.994 ( -12.547 -3.937 7.965) 15.374 8.550 ( -18.531 3.492 -5.701) 19.700 8.550 ( -18.531 3.492 5.701) 19.700 9.280 ( 1.754 -2.559 -0.729) 3.187 9.280 ( 1.754 -2.559 0.729) 3.187 9.485 ( -8.464 -10.519 -2.384) 13.710 9.485 ( -8.464 -10.519 2.384) 13.710 10.322 ( 3.466 -1.185 -12.674) 13.192 10.322 ( 3.466 -1.185 12.674) 13.192 11.811 ( 12.158 3.420 -8.610) 15.285 11.811 ( 12.158 3.420 8.610) 15.285 12.221 ( -2.471 1.993 -10.665) 11.128 12.221 ( -2.471 1.993 10.665) 11.128 12.579 ( 9.744 -0.196 -5.517) 11.199 12.579 ( 9.744 -0.196 5.517) 11.199 13.890 ( 19.390 3.623 -7.245) 21.014 13.890 ( 19.390 3.623 7.245) 21.014 15.286 ( 1.671 -5.227 -1.489) 5.686 15.286 ( 1.671 -5.227 1.489) 5.686 17.171 ( 9.295 -0.945 -4.831) 10.518 17.171 ( 9.295 -0.945 4.831) 10.518 ======================= Grid point 712 (208/219) ======================= q-point: (-0.44 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -10.207 8.972 -5.254) 14.570 1.781 ( -10.207 8.972 5.254) 14.570 2.117 ( -23.358 4.011 -2.570) 23.839 2.117 ( -23.358 4.011 2.570) 23.839 2.568 ( -5.013 -7.161 -4.697) 9.923 2.568 ( -5.013 -7.161 4.697) 9.923 2.697 ( -11.224 -4.231 -3.043) 12.375 2.697 ( -11.224 -4.231 3.043) 12.375 2.965 ( -10.802 -6.044 -2.695) 12.668 2.965 ( -10.802 -6.044 2.695) 12.668 3.327 ( -24.543 -2.575 -1.673) 24.734 3.327 ( -24.543 -2.575 1.673) 24.734 4.093 ( -8.325 22.982 -17.762) 30.215 4.093 ( -8.325 22.982 17.762) 30.215 5.056 ( 3.763 -12.689 -8.672) 15.823 5.056 ( 3.763 -12.689 8.672) 15.823 5.328 ( 2.866 -1.955 -5.607) 6.593 5.328 ( 2.866 -1.955 5.607) 6.593 7.355 ( -12.487 2.255 -0.851) 12.718 7.355 ( -12.487 2.255 0.851) 12.718 7.788 ( -10.661 -2.322 -4.747) 11.900 7.788 ( -10.661 -2.322 4.747) 11.900 8.141 ( -21.008 0.083 -1.802) 21.085 8.141 ( -21.008 0.083 1.802) 21.085 9.228 ( -7.628 -8.733 -4.861) 12.573 9.228 ( -7.628 -8.733 4.861) 12.573 9.556 ( 7.355 -1.754 -3.384) 8.284 9.556 ( 7.355 -1.754 3.384) 8.284 10.456 ( 8.296 -4.957 -9.626) 13.640 10.456 ( 8.296 -4.957 9.626) 13.640 11.948 ( 4.733 6.785 -14.235) 16.465 11.948 ( 4.733 6.785 14.235) 16.465 12.200 ( 3.780 2.831 -12.023) 12.917 12.200 ( 3.780 2.831 12.023) 12.917 12.718 ( 4.392 -0.138 -4.417) 6.230 12.718 ( 4.392 -0.138 4.417) 6.230 14.161 ( 11.468 3.835 -2.317) 12.312 14.161 ( 11.468 3.835 2.317) 12.312 15.367 ( 3.575 -5.256 -4.471) 7.772 15.367 ( 3.575 -5.256 4.471) 7.772 17.354 ( 9.158 -1.864 -4.724) 10.471 17.354 ( 9.158 -1.864 4.724) 10.471 ======================= Grid point 714 (209/219) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -10.243 6.989 -4.942) 13.348 1.552 ( -10.243 6.989 4.942) 13.348 1.671 ( -15.962 11.163 -4.253) 19.937 1.671 ( -15.962 11.163 4.253) 19.937 2.383 ( -12.499 0.430 -3.386) 12.957 2.383 ( -12.499 0.430 3.386) 12.957 2.647 ( -1.733 -13.531 -7.568) 15.601 2.647 ( -1.733 -13.531 7.568) 15.601 2.768 ( -13.232 -0.698 -4.800) 14.093 2.768 ( -13.232 -0.698 4.800) 14.093 3.065 ( -6.574 -10.514 -4.511) 13.195 3.065 ( -6.574 -10.514 4.511) 13.195 3.856 ( -3.000 24.136 -21.764) 32.638 3.856 ( -3.000 24.136 21.764) 32.638 5.179 ( 2.813 -6.028 -8.069) 10.458 5.179 ( 2.813 -6.028 8.069) 10.458 5.399 ( 1.826 -8.495 -6.221) 10.686 5.399 ( 1.826 -8.495 6.221) 10.686 7.037 ( -16.023 8.232 -3.942) 18.440 7.037 ( -16.023 8.232 3.942) 18.440 7.619 ( -8.158 -0.159 -5.225) 9.689 7.619 ( -8.158 -0.159 5.225) 9.689 7.882 ( -7.768 -5.927 -2.858) 10.180 7.882 ( -7.768 -5.927 2.858) 10.180 9.171 ( -5.208 -15.532 -6.388) 17.583 9.171 ( -5.208 -15.532 6.388) 17.583 9.676 ( 6.471 7.987 -4.751) 11.324 9.676 ( 6.471 7.987 4.751) 11.324 10.637 ( 5.869 -8.297 -2.910) 10.571 10.637 ( 5.869 -8.297 2.910) 10.571 11.939 ( 0.772 9.766 -20.274) 22.517 11.939 ( 0.772 9.766 20.274) 22.517 12.321 ( 9.494 2.734 -3.482) 10.475 12.321 ( 9.494 2.734 3.482) 10.475 12.728 ( -3.119 0.790 -3.173) 4.519 12.728 ( -3.119 0.790 3.173) 4.519 14.275 ( 3.583 3.048 -4.378) 6.426 14.275 ( 3.583 3.048 4.378) 6.426 15.461 ( 3.147 -4.021 -11.024) 12.149 15.461 ( 3.147 -4.021 11.024) 12.149 17.515 ( 6.124 -3.129 -4.689) 8.323 17.515 ( 6.124 -3.129 4.689) 8.323 ======================= Grid point 716 (210/219) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 6.676 -3.729) 7.647 1.362 ( 0.000 6.676 3.729) 7.647 1.478 ( 0.000 14.500 -7.975) 16.548 1.478 ( 0.000 14.500 7.975) 16.548 2.255 ( -0.000 -0.824 -3.216) 3.320 2.255 ( -0.000 -0.824 3.216) 3.320 2.600 ( 0.000 1.286 -2.393) 2.717 2.600 ( 0.000 1.286 2.393) 2.717 2.736 ( -0.000 -14.852 -13.234) 19.892 2.736 ( -0.000 -14.852 13.234) 19.892 3.070 ( -0.000 -7.563 -2.350) 7.919 3.070 ( -0.000 -7.563 2.350) 7.919 3.706 ( 0.000 19.175 -21.135) 28.537 3.706 ( 0.000 19.175 21.135) 28.537 5.212 ( 0.000 2.941 -5.696) 6.411 5.212 ( 0.000 2.941 5.696) 6.411 5.490 ( -0.000 -15.645 -5.127) 16.463 5.490 ( -0.000 -15.645 5.127) 16.463 6.798 ( 0.000 12.846 -4.280) 13.540 6.798 ( 0.000 12.846 4.280) 13.540 7.537 ( -0.000 -0.383 -3.879) 3.898 7.537 ( -0.000 -0.383 3.879) 3.898 7.859 ( -0.000 -6.742 -2.601) 7.227 7.859 ( -0.000 -6.742 2.601) 7.227 9.217 ( -0.000 -17.239 -6.767) 18.520 9.217 ( -0.000 -17.239 6.767) 18.520 9.685 ( 0.000 10.471 -6.518) 12.334 9.685 ( 0.000 10.471 6.518) 12.334 10.743 ( -0.000 -9.445 -1.012) 9.499 10.743 ( -0.000 -9.445 1.012) 9.499 11.887 ( 0.000 10.433 -21.695) 24.073 11.887 ( 0.000 10.433 21.695) 24.073 12.442 ( 0.000 1.838 -0.640) 1.946 12.442 ( 0.000 1.838 0.640) 1.946 12.646 ( 0.000 2.762 -2.681) 3.849 12.646 ( 0.000 2.762 2.681) 3.849 14.288 ( 0.000 2.856 -5.992) 6.638 14.288 ( 0.000 2.856 5.992) 6.638 15.512 ( -0.000 -3.391 -14.039) 14.442 15.512 ( -0.000 -3.391 14.039) 14.442 17.597 ( -0.000 -4.347 -5.054) 6.667 17.597 ( -0.000 -4.347 5.054) 6.667 ======================= Grid point 738 (211/219) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -7.455 -0.000 -5.826) 9.462 2.237 ( -7.455 -0.000 5.826) 9.462 2.499 ( -3.093 -0.000 -1.399) 3.394 2.499 ( -3.093 -0.000 1.399) 3.394 2.772 ( -4.859 -0.000 -1.006) 4.962 2.772 ( -4.859 -0.000 1.006) 4.962 3.118 ( -17.719 -0.000 -2.285) 17.866 3.118 ( -17.719 -0.000 2.285) 17.866 3.435 ( -8.001 -0.000 -9.487) 12.411 3.435 ( -8.001 -0.000 9.487) 12.411 4.144 ( -12.817 -0.000 -3.857) 13.385 4.144 ( -12.817 -0.000 3.857) 13.385 4.737 ( -4.200 -0.000 -2.034) 4.666 4.737 ( -4.200 -0.000 2.034) 4.666 5.028 ( -19.486 -0.000 -2.343) 19.627 5.028 ( -19.486 -0.000 2.343) 19.627 5.241 ( -1.831 -0.000 -2.694) 3.257 5.241 ( -1.831 -0.000 2.694) 3.257 7.593 ( -1.401 -0.000 -4.207) 4.434 7.593 ( -1.401 -0.000 4.207) 4.434 8.151 ( -8.887 -0.000 -8.255) 12.130 8.151 ( -8.887 -0.000 8.255) 12.130 8.786 ( -3.058 -0.000 -9.273) 9.765 8.786 ( -3.058 -0.000 9.273) 9.765 9.250 ( -8.125 -0.000 -1.603) 8.282 9.250 ( -8.125 -0.000 1.603) 8.282 9.693 ( -18.045 -0.000 -0.287) 18.048 9.693 ( -18.045 -0.000 0.287) 18.048 10.310 ( -2.662 -0.000 -13.224) 13.489 10.310 ( -2.662 -0.000 13.224) 13.489 11.583 ( 14.403 0.000 -14.144) 20.187 11.583 ( 14.403 0.000 14.144) 20.187 12.196 ( 9.550 0.000 -11.808) 15.186 12.196 ( 9.550 0.000 11.808) 15.186 12.420 ( 5.089 0.000 -17.119) 17.860 12.420 ( 5.089 0.000 17.119) 17.860 13.531 ( 21.020 0.000 -7.919) 22.462 13.531 ( 21.020 0.000 7.919) 22.462 15.232 ( -0.805 -0.000 -0.512) 0.954 15.232 ( -0.805 -0.000 0.512) 0.954 17.004 ( 7.885 0.000 -4.831) 9.248 17.004 ( 7.885 0.000 4.831) 9.248 ======================= Grid point 742 (212/219) ======================= q-point: (-0.56 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.721 2.076 -3.964) 10.701 2.070 ( -9.721 2.076 3.964) 10.701 2.427 ( -5.138 0.734 -3.097) 6.044 2.427 ( -5.138 0.734 3.097) 6.044 2.681 ( -12.347 -2.151 -0.509) 12.544 2.681 ( -12.347 -2.151 0.509) 12.544 2.771 ( -12.156 -2.383 -1.970) 12.543 2.771 ( -12.156 -2.383 1.970) 12.543 3.206 ( -16.304 0.126 -6.181) 17.436 3.206 ( -16.304 0.126 6.181) 17.436 3.804 ( -23.850 0.507 -1.804) 23.923 3.804 ( -23.850 0.507 1.804) 23.923 4.590 ( -8.291 12.848 -9.386) 17.942 4.590 ( -8.291 12.848 9.386) 17.942 4.800 ( -5.862 -11.861 -7.829) 15.373 4.800 ( -5.862 -11.861 7.829) 15.373 5.267 ( 3.347 0.236 -1.219) 3.570 5.267 ( 3.347 0.236 1.219) 3.570 7.526 ( -5.538 0.361 -3.394) 6.505 7.526 ( -5.538 0.361 3.394) 6.505 7.963 ( -11.508 -1.384 -7.647) 13.887 7.963 ( -11.508 -1.384 7.647) 13.887 8.580 ( -19.480 1.560 -6.044) 20.456 8.580 ( -19.480 1.560 6.044) 20.456 9.265 ( 8.132 -0.295 -0.595) 8.159 9.265 ( 8.132 -0.295 0.595) 8.159 9.395 ( -13.647 -4.715 -1.738) 14.543 9.395 ( -13.647 -4.715 1.738) 14.543 10.314 ( 2.920 -0.321 -12.923) 13.253 10.314 ( 2.920 -0.321 12.923) 13.253 11.837 ( 12.668 1.167 -7.058) 14.548 11.837 ( 12.668 1.167 7.058) 14.548 12.236 ( -1.952 0.687 -4.514) 4.965 12.236 ( -1.952 0.687 4.514) 4.965 12.578 ( 9.686 -0.020 -2.625) 10.036 12.578 ( 9.686 -0.020 2.625) 10.036 13.919 ( 19.493 1.376 -7.194) 20.823 13.919 ( 19.493 1.376 7.194) 20.823 15.243 ( 1.717 -1.992 -0.613) 2.700 15.243 ( 1.717 -1.992 0.613) 2.700 17.164 ( 9.123 -0.305 -3.862) 9.911 17.164 ( 9.123 -0.305 3.862) 9.911 ======================= Grid point 744 (213/219) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 386 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -10.887 4.563 -4.040) 12.477 1.858 ( -10.887 4.563 4.040) 12.477 2.170 ( -20.478 4.901 -1.645) 21.120 2.170 ( -20.478 4.901 1.645) 21.120 2.476 ( -5.242 -6.937 -2.287) 8.991 2.476 ( -5.242 -6.937 2.287) 8.991 2.674 ( -9.229 -1.374 -2.620) 9.691 2.674 ( -9.229 -1.374 2.620) 9.691 2.902 ( -12.950 -4.364 -1.967) 13.806 2.902 ( -12.950 -4.364 1.967) 13.806 3.310 ( -26.972 -0.701 -1.058) 27.001 3.310 ( -26.972 -0.701 1.058) 27.001 4.355 ( -5.081 22.971 -15.184) 28.001 4.355 ( -5.081 22.971 15.184) 28.001 4.864 ( 0.888 -19.636 -10.213) 22.151 4.864 ( 0.888 -19.636 10.213) 22.151 5.331 ( 3.494 1.054 -2.828) 4.617 5.331 ( 3.494 1.054 2.828) 4.617 7.375 ( -10.778 1.285 -0.864) 10.889 7.375 ( -10.778 1.285 0.864) 10.889 7.764 ( -9.908 -1.614 -3.581) 10.658 7.764 ( -9.908 -1.614 3.581) 10.658 8.147 ( -23.327 0.645 -2.219) 23.441 8.147 ( -23.327 0.645 2.219) 23.441 9.148 ( -11.184 -4.942 -4.128) 12.905 9.148 ( -11.184 -4.942 4.128) 12.905 9.538 ( 13.642 -1.390 -2.486) 13.936 9.538 ( 13.642 -1.390 2.486) 13.936 10.415 ( 6.628 -2.399 -10.136) 12.346 10.415 ( 6.628 -2.399 10.136) 12.346 12.011 ( 6.573 4.114 -9.953) 12.617 12.011 ( 6.573 4.114 9.953) 12.617 12.223 ( 3.190 1.289 -7.748) 8.478 12.223 ( 3.190 1.289 7.748) 8.478 12.716 ( 4.417 -0.198 -2.628) 5.144 12.716 ( 4.417 -0.198 2.628) 5.144 14.196 ( 10.810 2.198 -1.467) 11.129 14.196 ( 10.810 2.198 1.467) 11.129 15.318 ( 4.457 -3.109 -5.159) 7.493 15.318 ( 4.457 -3.109 5.159) 7.493 17.338 ( 8.878 -0.917 -3.469) 9.576 17.338 ( 8.878 -0.917 3.469) 9.576 ======================= Grid point 746 (214/219) ======================= q-point: (-0.44 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -13.716 3.040 -2.178) 14.217 1.605 ( -13.716 3.040 2.178) 14.217 1.810 ( -10.191 12.117 -6.071) 16.957 1.810 ( -10.191 12.117 6.071) 16.957 2.383 ( -12.510 -0.787 -3.623) 13.048 2.383 ( -12.510 -0.787 3.623) 13.048 2.507 ( -2.260 -9.711 -3.544) 10.581 2.507 ( -2.260 -9.711 3.544) 10.581 2.765 ( -11.143 -0.776 -3.366) 11.666 2.765 ( -11.143 -0.776 3.366) 11.666 2.946 ( -9.446 -9.411 -4.878) 14.198 2.946 ( -9.446 -9.411 4.878) 14.198 4.148 ( -2.111 26.661 -19.350) 33.011 4.148 ( -2.111 26.661 19.350) 33.011 5.009 ( 1.655 -20.810 -10.520) 23.377 5.009 ( 1.655 -20.810 10.520) 23.377 5.376 ( 2.007 1.423 -4.419) 5.057 5.376 ( 2.007 1.423 4.419) 5.057 7.118 ( -13.003 5.776 -3.905) 14.755 7.118 ( -13.003 5.776 3.905) 14.755 7.615 ( -7.493 -0.592 -4.142) 8.582 7.615 ( -7.493 -0.592 4.142) 8.582 7.823 ( -10.313 -4.247 -3.098) 11.576 7.823 ( -10.313 -4.247 3.098) 11.576 9.024 ( -6.335 -10.065 -5.768) 13.217 9.024 ( -6.335 -10.065 5.768) 13.217 9.747 ( 8.774 4.559 -2.193) 10.128 9.747 ( 8.774 4.559 2.193) 10.128 10.558 ( 5.386 -5.521 -3.248) 8.369 10.558 ( 5.386 -5.521 3.248) 8.369 12.043 ( 1.776 7.969 -17.616) 19.416 12.043 ( 1.776 7.969 17.616) 19.416 12.344 ( 8.935 1.304 -3.014) 9.519 12.344 ( 8.935 1.304 3.014) 9.519 12.732 ( -2.706 -0.050 -2.634) 3.777 12.732 ( -2.706 -0.050 2.634) 3.777 14.304 ( 2.938 1.968 -4.761) 5.931 14.304 ( 2.938 1.968 4.761) 5.931 15.421 ( 3.976 -2.888 -11.221) 12.250 15.421 ( 3.976 -2.888 11.221) 12.250 17.487 ( 5.816 -1.815 -3.359) 6.958 17.487 ( 5.816 -1.815 3.359) 6.958 ======================= Grid point 748 (215/219) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 209 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 4.435 -1.682) 4.743 1.425 ( 0.000 4.435 1.682) 4.743 1.648 ( 0.000 15.009 -7.900) 16.962 1.648 ( 0.000 15.009 7.900) 16.962 2.248 ( -0.000 -0.429 -3.333) 3.360 2.248 ( -0.000 -0.429 3.333) 3.360 2.570 ( -0.000 -13.511 -7.133) 15.279 2.570 ( -0.000 -13.511 7.133) 15.279 2.613 ( 0.000 0.902 -2.475) 2.634 2.613 ( 0.000 0.902 2.475) 2.634 2.953 ( -0.000 -11.742 -5.580) 13.000 2.953 ( -0.000 -11.742 5.580) 13.000 3.976 ( 0.000 26.713 -21.684) 34.406 3.976 ( 0.000 26.713 21.684) 34.406 5.138 ( -0.000 -17.001 -10.344) 19.900 5.138 ( -0.000 -17.001 10.344) 19.900 5.391 ( -0.000 -0.851 -6.018) 6.078 5.391 ( -0.000 -0.851 6.018) 6.078 6.929 ( 0.000 9.987 -4.068) 10.784 6.929 ( 0.000 9.987 4.068) 10.784 7.533 ( -0.000 -0.196 -3.793) 3.798 7.533 ( -0.000 -0.196 3.793) 3.798 7.778 ( -0.000 -7.178 -3.292) 7.897 7.778 ( -0.000 -7.178 3.292) 7.897 9.033 ( -0.000 -13.927 -6.479) 15.361 9.033 ( -0.000 -13.927 6.479) 15.361 9.795 ( 0.000 7.945 -2.453) 8.315 9.795 ( 0.000 7.945 2.453) 8.315 10.648 ( -0.000 -7.251 -1.020) 7.322 10.648 ( -0.000 -7.251 1.020) 7.322 12.006 ( 0.000 10.119 -19.839) 22.270 12.006 ( 0.000 10.119 19.839) 22.270 12.459 ( 0.000 1.149 -0.657) 1.324 12.459 ( 0.000 1.149 0.657) 1.324 12.668 ( 0.000 1.003 -2.825) 2.998 12.668 ( 0.000 1.003 2.825) 2.998 14.315 ( 0.000 1.990 -6.410) 6.712 14.315 ( 0.000 1.990 6.410) 6.712 15.476 ( -0.000 -2.852 -13.812) 14.104 15.476 ( -0.000 -2.852 13.812) 14.104 17.557 ( -0.000 -2.730 -3.703) 4.601 17.557 ( -0.000 -2.730 3.703) 4.601 ======================= Grid point 774 (216/219) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -11.409 -0.000 -2.372) 11.653 1.884 ( -11.409 -0.000 2.372) 11.653 2.204 ( -19.326 -0.000 -1.089) 19.357 2.204 ( -19.326 -0.000 1.089) 19.357 2.434 ( -5.656 -0.000 -0.268) 5.663 2.434 ( -5.656 -0.000 0.268) 5.663 2.664 ( -6.894 -0.000 -0.349) 6.903 2.664 ( -6.894 -0.000 0.349) 6.903 2.877 ( -15.150 -0.000 -0.926) 15.178 2.877 ( -15.150 -0.000 0.926) 15.178 3.306 ( -27.609 -0.000 -1.194) 27.635 3.306 ( -27.609 -0.000 1.194) 27.635 4.572 ( -1.862 -0.000 -9.686) 9.864 4.572 ( -1.862 -0.000 9.686) 9.864 4.665 ( -2.133 -0.000 -8.111) 8.386 4.665 ( -2.133 -0.000 8.111) 8.386 5.338 ( 3.694 0.000 -0.986) 3.823 5.338 ( 3.694 0.000 0.986) 3.823 7.383 ( -10.180 -0.000 -0.804) 10.211 7.383 ( -10.180 -0.000 0.804) 10.211 7.755 ( -9.772 -0.000 -3.418) 10.353 7.755 ( -9.772 -0.000 3.418) 10.353 8.151 ( -24.128 -0.000 -2.421) 24.249 8.151 ( -24.128 -0.000 2.421) 24.249 9.120 ( -12.276 -0.000 -3.515) 12.769 9.120 ( -12.276 -0.000 3.515) 12.769 9.530 ( 15.787 0.000 -2.164) 15.934 9.530 ( 15.787 0.000 2.164) 15.934 10.401 ( 6.004 0.000 -10.312) 11.933 10.401 ( 6.004 0.000 10.312) 11.933 12.035 ( 7.445 0.000 -5.889) 9.492 12.035 ( 7.445 0.000 5.889) 9.492 12.230 ( 2.836 0.000 -0.937) 2.987 12.230 ( 2.836 0.000 0.937) 2.987 12.715 ( 4.366 0.000 -0.209) 4.371 12.715 ( 4.366 0.000 0.209) 4.371 14.208 ( 10.533 0.000 -0.969) 10.578 14.208 ( 10.533 0.000 0.969) 10.578 15.300 ( 4.816 0.000 -5.418) 7.249 15.300 ( 4.816 0.000 5.418) 7.249 17.333 ( 8.785 0.000 -2.929) 9.260 17.333 ( 8.785 0.000 2.929) 9.260 ======================= Grid point 778 (217/219) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -14.315 0.948 -1.301) 14.405 1.627 ( -14.315 0.948 1.301) 14.405 1.917 ( -8.346 5.563 -4.889) 11.158 1.917 ( -8.346 5.563 4.889) 11.158 2.359 ( -7.509 -2.328 -2.368) 8.211 2.359 ( -7.509 -2.328 2.368) 8.211 2.446 ( -7.937 -1.627 -2.086) 8.366 2.446 ( -7.937 -1.627 2.086) 8.366 2.747 ( -5.840 -1.740 -4.203) 7.402 2.747 ( -5.840 -1.740 4.203) 7.402 2.874 ( -15.031 -2.910 -2.148) 15.460 2.874 ( -15.031 -2.910 2.148) 15.460 4.446 ( -0.852 25.344 -15.637) 29.792 4.446 ( -0.852 25.344 15.637) 29.792 4.752 ( 0.351 -23.648 -12.232) 26.626 4.752 ( 0.351 -23.648 12.232) 26.626 5.392 ( 2.190 0.886 -1.898) 3.031 5.392 ( 2.190 0.886 1.898) 3.031 7.163 ( -11.389 2.034 -3.760) 12.165 7.163 ( -11.389 2.034 3.760) 12.165 7.608 ( -6.654 -0.436 -2.696) 7.193 7.608 ( -6.654 -0.436 2.696) 7.193 7.791 ( -12.508 -1.376 -2.670) 12.864 7.791 ( -12.508 -1.376 2.670) 12.864 8.948 ( -6.807 -3.375 -5.210) 9.212 8.948 ( -6.807 -3.375 5.210) 9.212 9.780 ( 10.065 1.375 -1.066) 10.214 9.780 ( 10.065 1.375 1.066) 10.214 10.516 ( 5.028 -1.922 -3.488) 6.414 10.516 ( 5.028 -1.922 3.488) 6.414 12.108 ( 2.387 3.199 -14.341) 14.886 12.108 ( 2.387 3.199 14.341) 14.886 12.352 ( 8.780 0.281 -1.578) 8.925 12.352 ( 8.780 0.281 1.578) 8.925 12.730 ( -2.626 -0.176 -1.579) 3.069 12.730 ( -2.626 -0.176 1.579) 3.069 14.319 ( 2.530 0.675 -4.951) 5.600 14.319 ( 2.530 0.675 4.951) 5.600 15.398 ( 4.474 -1.048 -11.265) 12.166 15.398 ( 4.474 -1.048 11.265) 12.166 17.474 ( 5.675 -0.596 -2.434) 6.204 17.474 ( 5.675 -0.596 2.434) 6.204 ======================= Grid point 780 (218/219) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 2.182 -0.447) 2.227 1.462 ( 0.000 2.182 0.447) 2.227 1.799 ( 0.000 10.686 -7.493) 13.051 1.799 ( 0.000 10.686 7.493) 13.051 2.245 ( -0.000 -0.162 -3.471) 3.475 2.245 ( -0.000 -0.162 3.471) 3.475 2.446 ( -0.000 -7.962 -2.892) 8.470 2.446 ( -0.000 -7.962 2.892) 8.470 2.621 ( 0.000 0.464 -2.515) 2.557 2.621 ( 0.000 0.464 2.515) 2.557 2.831 ( -0.000 -8.841 -5.666) 10.501 2.831 ( -0.000 -8.841 5.666) 10.501 4.286 ( 0.000 27.561 -18.284) 33.074 4.286 ( 0.000 27.561 18.284) 33.074 4.895 ( -0.000 -24.091 -11.652) 26.761 4.895 ( -0.000 -24.091 11.652) 26.761 5.406 ( 0.000 1.674 -3.046) 3.476 5.406 ( 0.000 1.674 3.046) 3.476 7.018 ( 0.000 5.446 -3.834) 6.660 7.018 ( 0.000 5.446 3.834) 6.660 7.532 ( -0.000 -0.042 -3.705) 3.706 7.532 ( -0.000 -0.042 3.705) 3.706 7.708 ( -0.000 -4.639 -4.145) 6.221 7.708 ( -0.000 -4.639 4.145) 6.221 8.913 ( -0.000 -7.077 -5.995) 9.275 8.913 ( -0.000 -7.077 5.995) 9.275 9.861 ( 0.000 3.774 -0.857) 3.871 9.861 ( 0.000 3.774 0.857) 3.871 10.583 ( -0.000 -3.956 -1.021) 4.086 10.583 ( -0.000 -3.956 1.021) 4.086 12.103 ( 0.000 6.448 -16.094) 17.338 12.103 ( 0.000 6.448 16.094) 17.338 12.468 ( 0.000 0.539 -0.669) 0.859 12.468 ( 0.000 0.539 0.669) 0.859 12.672 ( -0.000 -0.087 -2.700) 2.701 12.672 ( -0.000 -0.087 2.700) 2.701 14.332 ( 0.000 0.986 -6.631) 6.704 14.332 ( 0.000 0.986 6.631) 6.704 15.451 ( -0.000 -1.612 -13.439) 13.535 15.451 ( -0.000 -1.612 13.439) 13.535 17.535 ( -0.000 -1.324 -2.528) 2.853 17.535 ( -0.000 -1.324 2.528) 2.853 ======================= Grid point 812 (219/219) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.000 -0.033) 0.033 1.474 ( 0.000 0.000 0.033) 0.033 1.865 ( 0.000 0.000 -4.256) 4.256 1.865 ( 0.000 0.000 4.256) 4.256 2.244 ( 0.000 0.000 -3.531) 3.531 2.244 ( 0.000 0.000 3.531) 3.531 2.399 ( 0.000 0.000 -0.654) 0.654 2.399 ( 0.000 0.000 0.654) 0.654 2.623 ( 0.000 0.000 -2.526) 2.526 2.623 ( 0.000 0.000 2.526) 2.526 2.776 ( 0.000 0.000 -4.330) 4.330 2.776 ( 0.000 0.000 4.330) 4.330 4.554 ( -0.000 -0.000 -9.836) 9.836 4.554 ( -0.000 -0.000 9.836) 9.836 4.646 ( 0.000 0.000 -8.454) 8.454 4.646 ( 0.000 0.000 8.454) 8.454 5.416 ( 0.000 0.000 -1.515) 1.515 5.416 ( 0.000 0.000 1.515) 1.515 7.049 ( 0.000 0.000 -3.722) 3.722 7.049 ( 0.000 0.000 3.722) 3.722 7.532 ( 0.000 0.000 -3.664) 3.664 7.532 ( 0.000 0.000 3.664) 3.664 7.681 ( 0.000 0.000 -4.462) 4.462 7.681 ( 0.000 0.000 4.462) 4.462 8.873 ( 0.000 0.000 -5.775) 5.775 8.873 ( 0.000 0.000 5.775) 5.775 9.882 ( 0.000 0.000 -0.958) 0.958 9.882 ( 0.000 0.000 0.958) 0.958 10.561 ( 0.000 0.000 -1.021) 1.021 10.561 ( 0.000 0.000 1.021) 1.021 12.141 ( 0.000 0.000 -13.774) 13.774 12.141 ( 0.000 0.000 13.774) 13.774 12.471 ( 0.000 0.000 -0.674) 0.674 12.471 ( 0.000 0.000 0.674) 0.674 12.670 ( 0.000 0.000 -2.495) 2.495 12.670 ( 0.000 0.000 2.495) 2.495 14.338 ( 0.000 0.000 -6.695) 6.695 14.338 ( 0.000 0.000 6.695) 6.695 15.441 ( 0.000 0.000 -13.266) 13.266 15.441 ( 0.000 0.000 13.266) 13.266 17.527 ( 0.000 0.000 -2.006) 2.006 17.527 ( 0.000 0.000 2.006) 2.006 =================== 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 3/43008 10.0 1991.395 5745.236 2158.170 0.000 0.000 0.000 3/43008 20.0 557.047 624.818 425.139 0.000 0.000 0.000 3/43008 30.0 257.567 210.779 167.469 0.000 0.000 0.000 3/43008 40.0 159.181 114.763 93.037 0.000 0.000 0.000 3/43008 50.0 112.732 77.056 61.858 0.000 0.000 0.000 3/43008 60.0 85.316 57.122 45.308 0.000 0.000 0.000 3/43008 70.0 67.174 44.696 35.133 0.000 0.000 0.000 3/43008 80.0 54.452 36.229 28.304 0.000 0.000 0.000 3/43008 90.0 45.212 30.149 23.461 0.000 0.000 0.000 3/43008 100.0 38.320 25.626 19.892 0.000 0.000 0.000 3/43008 110.0 33.060 22.168 17.183 0.000 0.000 0.000 3/43008 120.0 28.962 19.463 15.077 0.000 0.000 0.000 3/43008 130.0 25.707 17.306 13.404 0.000 0.000 0.000 3/43008 140.0 23.077 15.555 12.052 0.000 0.000 0.000 3/43008 150.0 20.919 14.112 10.940 0.000 0.000 0.000 3/43008 160.0 19.121 12.906 10.014 0.000 0.000 0.000 3/43008 170.0 17.605 11.886 9.231 0.000 0.000 0.000 3/43008 180.0 16.312 11.013 8.562 0.000 0.000 0.000 3/43008 190.0 15.197 10.260 7.985 0.000 0.000 0.000 3/43008 200.0 14.227 9.603 7.482 0.000 0.000 0.000 3/43008 210.0 13.375 9.026 7.040 0.000 0.000 0.000 3/43008 220.0 12.622 8.515 6.649 0.000 0.000 0.000 3/43008 230.0 11.951 8.060 6.300 0.000 0.000 0.000 3/43008 240.0 11.350 7.651 5.987 0.000 0.000 0.000 3/43008 250.0 10.808 7.283 5.705 0.000 0.000 0.000 3/43008 260.0 10.317 6.950 5.449 0.000 0.000 0.000 3/43008 270.0 9.871 6.647 5.216 0.000 0.000 0.000 3/43008 280.0 9.462 6.369 5.002 0.000 0.000 0.000 3/43008 290.0 9.087 6.115 4.806 0.000 0.000 0.000 3/43008 300.0 8.742 5.881 4.626 0.000 0.000 0.000 3/43008 310.0 8.423 5.664 4.458 0.000 0.000 0.000 3/43008 320.0 8.127 5.463 4.303 0.000 0.000 0.000 3/43008 330.0 7.852 5.277 4.159 0.000 0.000 0.000 3/43008 340.0 7.595 5.103 4.024 0.000 0.000 0.000 3/43008 350.0 7.355 4.940 3.899 0.000 0.000 0.000 3/43008 360.0 7.131 4.788 3.781 0.000 0.000 0.000 3/43008 370.0 6.920 4.645 3.670 0.000 0.000 0.000 3/43008 380.0 6.721 4.511 3.565 0.000 0.000 0.000 3/43008 390.0 6.534 4.384 3.467 0.000 0.000 0.000 3/43008 400.0 6.358 4.265 3.374 0.000 0.000 0.000 3/43008 410.0 6.191 4.152 3.286 0.000 0.000 0.000 3/43008 420.0 6.032 4.045 3.203 0.000 0.000 0.000 3/43008 430.0 5.882 3.944 3.123 0.000 0.000 0.000 3/43008 440.0 5.739 3.847 3.048 0.000 0.000 0.000 3/43008 450.0 5.604 3.756 2.976 0.000 0.000 0.000 3/43008 460.0 5.474 3.668 2.908 0.000 0.000 0.000 3/43008 470.0 5.351 3.585 2.843 0.000 0.000 0.000 3/43008 480.0 5.233 3.506 2.781 0.000 0.000 0.000 3/43008 490.0 5.120 3.430 2.721 0.000 0.000 0.000 3/43008 500.0 5.012 3.357 2.664 0.000 0.000 0.000 3/43008 510.0 4.909 3.288 2.610 0.000 0.000 0.000 3/43008 520.0 4.810 3.221 2.557 0.000 0.000 0.000 3/43008 530.0 4.715 3.157 2.507 0.000 0.000 0.000 3/43008 540.0 4.624 3.095 2.459 0.000 0.000 0.000 3/43008 550.0 4.536 3.036 2.412 0.000 0.000 0.000 3/43008 560.0 4.452 2.980 2.368 0.000 0.000 0.000 3/43008 570.0 4.371 2.925 2.325 0.000 0.000 0.000 3/43008 580.0 4.292 2.872 2.283 0.000 0.000 0.000 3/43008 590.0 4.217 2.822 2.243 0.000 0.000 0.000 3/43008 600.0 4.144 2.773 2.205 0.000 0.000 0.000 3/43008 610.0 4.074 2.725 2.167 0.000 0.000 0.000 3/43008 620.0 4.006 2.680 2.131 0.000 0.000 0.000 3/43008 630.0 3.940 2.635 2.097 0.000 0.000 0.000 3/43008 640.0 3.876 2.593 2.063 0.000 0.000 0.000 3/43008 650.0 3.815 2.551 2.030 0.000 0.000 0.000 3/43008 660.0 3.755 2.511 1.999 0.000 0.000 0.000 3/43008 670.0 3.698 2.473 1.968 0.000 0.000 0.000 3/43008 680.0 3.642 2.435 1.939 0.000 0.000 0.000 3/43008 690.0 3.587 2.399 1.910 0.000 0.000 0.000 3/43008 700.0 3.535 2.363 1.882 0.000 0.000 0.000 3/43008 710.0 3.484 2.329 1.855 0.000 0.000 0.000 3/43008 720.0 3.434 2.296 1.828 0.000 0.000 0.000 3/43008 730.0 3.386 2.264 1.803 0.000 0.000 0.000 3/43008 740.0 3.339 2.232 1.778 0.000 0.000 0.000 3/43008 750.0 3.293 2.202 1.754 0.000 0.000 0.000 3/43008 760.0 3.249 2.172 1.730 0.000 0.000 0.000 3/43008 770.0 3.206 2.143 1.707 0.000 0.000 0.000 3/43008 780.0 3.164 2.115 1.685 0.000 0.000 0.000 3/43008 790.0 3.123 2.087 1.663 0.000 0.000 0.000 3/43008 800.0 3.083 2.061 1.642 0.000 0.000 0.000 3/43008 810.0 3.044 2.035 1.622 0.000 0.000 0.000 3/43008 820.0 3.007 2.009 1.601 0.000 0.000 0.000 3/43008 830.0 2.970 1.985 1.582 0.000 0.000 0.000 3/43008 840.0 2.934 1.960 1.563 0.000 0.000 0.000 3/43008 850.0 2.899 1.937 1.544 0.000 0.000 0.000 3/43008 860.0 2.864 1.914 1.526 0.000 0.000 0.000 3/43008 870.0 2.831 1.891 1.508 0.000 0.000 0.000 3/43008 880.0 2.798 1.870 1.491 0.000 0.000 0.000 3/43008 890.0 2.766 1.848 1.474 0.000 0.000 0.000 3/43008 900.0 2.735 1.827 1.457 0.000 0.000 0.000 3/43008 910.0 2.704 1.807 1.441 0.000 0.000 0.000 3/43008 920.0 2.675 1.787 1.425 0.000 0.000 0.000 3/43008 930.0 2.645 1.767 1.409 0.000 0.000 0.000 3/43008 940.0 2.617 1.748 1.394 0.000 0.000 0.000 3/43008 950.0 2.589 1.729 1.379 0.000 0.000 0.000 3/43008 960.0 2.561 1.711 1.365 0.000 0.000 0.000 3/43008 970.0 2.535 1.693 1.351 0.000 0.000 0.000 3/43008 980.0 2.508 1.676 1.337 0.000 0.000 0.000 3/43008 990.0 2.483 1.658 1.323 0.000 0.000 0.000 3/43008 1000.0 2.458 1.642 1.310 0.000 0.000 0.000 3/43008 Thermal conductivity related properties were written into "kappa-m16164.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:57:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|