----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:39:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.700572505016438 -6.017348260000000 0.000000000000000 b 3.700572505016438 6.017348260000000 0.000000000000000 c -2.314401786697194 0.000000000000000 5.412737518376034 Atomic positions (fractional): *1 S 0.28492752119702 0.08075415031746 0.59634929040501 32.065 2 S 0.91924584968254 0.71507247880298 0.90365070959499 32.065 3 S 0.08075415031746 0.28492752119702 0.09634929040501 32.065 4 S 0.71507247880298 0.91924584968254 0.40365070959499 32.065 *5 Ga 0.00373719528787 0.99626280471213 0.25000000000000 69.723 6 Ga 0.99626280471213 0.00373719528787 0.75000000000000 69.723 *7 Cs 0.35756443552661 0.64243556447339 0.75000000000000 132.905 8 Cs 0.64243556447339 0.35756443552661 0.25000000000000 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.401145010032876 0.000000000000000 0.000000000000000 b 0.000000000000000 12.034696520000001 0.000000000000000 c -2.314401786697194 0.000000000000000 5.412737518376034 Atomic positions (fractional): *1 S 0.18284083575724 0.89791331456022 0.59634929040501 32.065 > 1 2 S 0.81715916424276 0.89791331456022 0.90365070959499 32.065 > 2 3 S 0.18284083575724 0.10208668543978 0.09634929040501 32.065 > 3 4 S 0.81715916424276 0.10208668543978 0.40365070959499 32.065 > 4 5 S 0.68284083575724 0.39791331456022 0.59634929040501 32.065 > 1 6 S 0.31715916424276 0.39791331456022 0.90365070959499 32.065 > 2 7 S 0.68284083575724 0.60208668543978 0.09634929040501 32.065 > 3 8 S 0.31715916424276 0.60208668543978 0.40365070959499 32.065 > 4 *9 Ga 0.50000000000000 0.49626280471213 0.25000000000000 69.723 > 5 10 Ga 0.50000000000000 0.50373719528787 0.75000000000000 69.723 > 6 11 Ga 0.00000000000000 0.99626280471213 0.25000000000000 69.723 > 5 12 Ga 0.00000000000000 0.00373719528787 0.75000000000000 69.723 > 6 *13 Cs 0.50000000000000 0.14243556447339 0.75000000000000 132.905 > 7 14 Cs 0.50000000000000 0.85756443552661 0.25000000000000 132.905 > 8 15 Cs 0.00000000000000 0.64243556447339 0.75000000000000 132.905 > 7 16 Cs 0.00000000000000 0.35756443552661 0.25000000000000 132.905 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.802290020065753 0.000000000000000 0.000000000000000 b 0.000000000000000 12.034696520000001 0.000000000000000 c -6.943205360091582 0.000000000000000 16.238212555128101 Atomic positions (fractional): *1 S 0.09142041787862 0.89791331456022 0.19878309680167 32.065 > 1 2 S 0.59142041787862 0.89791331456022 0.19878309680167 32.065 > 1 3 S 0.09142041787862 0.89791331456022 0.53211643013500 32.065 > 1 4 S 0.59142041787862 0.89791331456022 0.53211643013500 32.065 > 1 5 S 0.09142041787862 0.89791331456022 0.86544976346834 32.065 > 1 6 S 0.59142041787862 0.89791331456022 0.86544976346834 32.065 > 1 7 S 0.40857958212138 0.89791331456022 0.30121690319833 32.065 > 2 8 S 0.90857958212138 0.89791331456022 0.30121690319833 32.065 > 2 9 S 0.40857958212138 0.89791331456022 0.63455023653166 32.065 > 2 10 S 0.90857958212138 0.89791331456022 0.63455023653166 32.065 > 2 11 S 0.40857958212138 0.89791331456022 0.96788356986500 32.065 > 2 12 S 0.90857958212138 0.89791331456022 0.96788356986500 32.065 > 2 13 S 0.09142041787862 0.10208668543978 0.03211643013500 32.065 > 3 14 S 0.59142041787862 0.10208668543978 0.03211643013500 32.065 > 3 15 S 0.09142041787862 0.10208668543978 0.36544976346834 32.065 > 3 16 S 0.59142041787862 0.10208668543978 0.36544976346834 32.065 > 3 17 S 0.09142041787862 0.10208668543978 0.69878309680167 32.065 > 3 18 S 0.59142041787862 0.10208668543978 0.69878309680167 32.065 > 3 19 S 0.40857958212138 0.10208668543978 0.13455023653166 32.065 > 4 20 S 0.90857958212138 0.10208668543978 0.13455023653166 32.065 > 4 21 S 0.40857958212138 0.10208668543978 0.46788356986500 32.065 > 4 22 S 0.90857958212138 0.10208668543978 0.46788356986500 32.065 > 4 23 S 0.40857958212138 0.10208668543978 0.80121690319833 32.065 > 4 24 S 0.90857958212138 0.10208668543978 0.80121690319833 32.065 > 4 25 S 0.34142041787862 0.39791331456022 0.19878309680167 32.065 > 1 26 S 0.84142041787862 0.39791331456022 0.19878309680167 32.065 > 1 27 S 0.34142041787862 0.39791331456022 0.53211643013500 32.065 > 1 28 S 0.84142041787862 0.39791331456022 0.53211643013500 32.065 > 1 29 S 0.34142041787862 0.39791331456022 0.86544976346834 32.065 > 1 30 S 0.84142041787862 0.39791331456022 0.86544976346834 32.065 > 1 31 S 0.15857958212138 0.39791331456022 0.30121690319833 32.065 > 2 32 S 0.65857958212138 0.39791331456022 0.30121690319833 32.065 > 2 33 S 0.15857958212138 0.39791331456022 0.63455023653166 32.065 > 2 34 S 0.65857958212138 0.39791331456022 0.63455023653166 32.065 > 2 35 S 0.15857958212138 0.39791331456022 0.96788356986500 32.065 > 2 36 S 0.65857958212138 0.39791331456022 0.96788356986500 32.065 > 2 37 S 0.34142041787862 0.60208668543978 0.03211643013500 32.065 > 3 38 S 0.84142041787862 0.60208668543978 0.03211643013500 32.065 > 3 39 S 0.34142041787862 0.60208668543978 0.36544976346834 32.065 > 3 40 S 0.84142041787862 0.60208668543978 0.36544976346834 32.065 > 3 41 S 0.34142041787862 0.60208668543978 0.69878309680167 32.065 > 3 42 S 0.84142041787862 0.60208668543978 0.69878309680167 32.065 > 3 43 S 0.15857958212138 0.60208668543978 0.13455023653166 32.065 > 4 44 S 0.65857958212138 0.60208668543978 0.13455023653166 32.065 > 4 45 S 0.15857958212138 0.60208668543978 0.46788356986500 32.065 > 4 46 S 0.65857958212138 0.60208668543978 0.46788356986500 32.065 > 4 47 S 0.15857958212138 0.60208668543978 0.80121690319833 32.065 > 4 48 S 0.65857958212138 0.60208668543978 0.80121690319833 32.065 > 4 *49 Ga 0.25000000000000 0.49626280471213 0.08333333333333 69.723 > 5 50 Ga 0.75000000000000 0.49626280471213 0.08333333333333 69.723 > 5 51 Ga 0.25000000000000 0.49626280471213 0.41666666666667 69.723 > 5 52 Ga 0.75000000000000 0.49626280471213 0.41666666666667 69.723 > 5 53 Ga 0.25000000000000 0.49626280471213 0.75000000000000 69.723 > 5 54 Ga 0.75000000000000 0.49626280471213 0.75000000000000 69.723 > 5 55 Ga 0.25000000000000 0.50373719528787 0.25000000000000 69.723 > 6 56 Ga 0.75000000000000 0.50373719528787 0.25000000000000 69.723 > 6 57 Ga 0.25000000000000 0.50373719528787 0.58333333333333 69.723 > 6 58 Ga 0.75000000000000 0.50373719528787 0.58333333333333 69.723 > 6 59 Ga 0.25000000000000 0.50373719528787 0.91666666666667 69.723 > 6 60 Ga 0.75000000000000 0.50373719528787 0.91666666666667 69.723 > 6 61 Ga 0.00000000000000 0.99626280471213 0.08333333333333 69.723 > 5 62 Ga 0.50000000000000 0.99626280471213 0.08333333333333 69.723 > 5 63 Ga 0.00000000000000 0.99626280471213 0.41666666666667 69.723 > 5 64 Ga 0.50000000000000 0.99626280471213 0.41666666666667 69.723 > 5 65 Ga 0.00000000000000 0.99626280471213 0.75000000000000 69.723 > 5 66 Ga 0.50000000000000 0.99626280471213 0.75000000000000 69.723 > 5 67 Ga 0.00000000000000 0.00373719528787 0.25000000000000 69.723 > 6 68 Ga 0.50000000000000 0.00373719528787 0.25000000000000 69.723 > 6 69 Ga 0.00000000000000 0.00373719528787 0.58333333333333 69.723 > 6 70 Ga 0.50000000000000 0.00373719528787 0.58333333333333 69.723 > 6 71 Ga 0.00000000000000 0.00373719528787 0.91666666666667 69.723 > 6 72 Ga 0.50000000000000 0.00373719528787 0.91666666666667 69.723 > 6 *73 Cs 0.25000000000000 0.14243556447339 0.25000000000000 132.905 > 7 74 Cs 0.75000000000000 0.14243556447339 0.25000000000000 132.905 > 7 75 Cs 0.25000000000000 0.14243556447339 0.58333333333333 132.905 > 7 76 Cs 0.75000000000000 0.14243556447339 0.58333333333333 132.905 > 7 77 Cs 0.25000000000000 0.14243556447339 0.91666666666667 132.905 > 7 78 Cs 0.75000000000000 0.14243556447339 0.91666666666667 132.905 > 7 79 Cs 0.25000000000000 0.85756443552661 0.08333333333333 132.905 > 8 80 Cs 0.75000000000000 0.85756443552661 0.08333333333333 132.905 > 8 81 Cs 0.25000000000000 0.85756443552661 0.41666666666667 132.905 > 8 82 Cs 0.75000000000000 0.85756443552661 0.41666666666667 132.905 > 8 83 Cs 0.25000000000000 0.85756443552661 0.75000000000000 132.905 > 8 84 Cs 0.75000000000000 0.85756443552661 0.75000000000000 132.905 > 8 85 Cs 0.00000000000000 0.64243556447339 0.25000000000000 132.905 > 7 86 Cs 0.50000000000000 0.64243556447339 0.25000000000000 132.905 > 7 87 Cs 0.00000000000000 0.64243556447339 0.58333333333333 132.905 > 7 88 Cs 0.50000000000000 0.64243556447339 0.58333333333333 132.905 > 7 89 Cs 0.00000000000000 0.64243556447339 0.91666666666667 132.905 > 7 90 Cs 0.50000000000000 0.64243556447339 0.91666666666667 132.905 > 7 91 Cs 0.00000000000000 0.35756443552661 0.08333333333333 132.905 > 8 92 Cs 0.50000000000000 0.35756443552661 0.08333333333333 132.905 > 8 93 Cs 0.00000000000000 0.35756443552661 0.41666666666667 132.905 > 8 94 Cs 0.50000000000000 0.35756443552661 0.41666666666667 132.905 > 8 95 Cs 0.00000000000000 0.35756443552661 0.75000000000000 132.905 > 8 96 Cs 0.50000000000000 0.35756443552661 0.75000000000000 132.905 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8329647 0.0000000 -0.3340337 0.0000000 3.5939691 0.0000000 -0.3340339 0.0000000 4.4127637 -------------------------- Born effective charges -------------------------- 1 S -1.6068548 0.3408912 0.3514689 0.2984153 -1.3295432 0.2480790 0.3522064 0.2494162 -2.2788666 2 S -1.6068548 -0.3408912 0.3514689 -0.2984153 -1.3295432 -0.2480790 0.3522064 -0.2494162 -2.2788666 3 S -1.6068548 -0.3408912 0.3514689 -0.2984153 -1.3295432 -0.2480790 0.3522064 -0.2494162 -2.2788666 4 S -1.6068548 0.3408912 0.3514689 0.2984153 -1.3295432 0.2480790 0.3522064 0.2494162 -2.2788666 5 Ga 1.7942579 0.0000000 -0.6995175 0.0000000 1.2503585 0.0000000 -0.6622158 0.0000000 3.2296520 6 Ga 1.7942579 0.0000000 -0.6995175 0.0000000 1.2503585 0.0000000 -0.6622158 0.0000000 3.2296520 7 Cs 1.4194518 0.0000000 -0.0034204 0.0000000 1.4087278 0.0000000 -0.0421970 0.0000000 1.3280812 8 Cs 1.4194518 0.0000000 -0.0034204 0.0000000 1.4087278 0.0000000 -0.0421970 0.0000000 1.3280812 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4272/4272 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 952 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 128 Use standard eigh solver. Tree of FC basis block matrices: - (952, 934), data: False |-- (128, 125), data: True |-- (128, 125), data: True |-- (128, 125), data: True |-- (184, 182), data: True |-- (184, 182), data: True |-- (200, 195), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.876 Solver_block: 200 / 240 - Time: 0.875 Solver_block: 240 / 240 - Time: 0.407 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.176 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4272/4272 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 952 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 128 Use standard eigh solver. Tree of FC basis block matrices: - (952, 934), data: False |-- (128, 125), data: True |-- (128, 125), data: True |-- (128, 125), data: True |-- (184, 182), data: True |-- (184, 182), data: True |-- (200, 195), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:39:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:39:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.700572505016438 -6.017348260000000 0.000000000000000 b 3.700572505016438 6.017348260000000 0.000000000000000 c -2.314401786697194 0.000000000000000 5.412737518376034 Atomic positions (fractional): 1 S 0.28492752119702 0.08075415031746 0.59634929040501 32.065 2 S 0.91924584968254 0.71507247880298 0.90365070959499 32.065 3 S 0.08075415031746 0.28492752119702 0.09634929040501 32.065 4 S 0.71507247880298 0.91924584968254 0.40365070959499 32.065 5 Ga 0.00373719528787 0.99626280471213 0.25000000000000 69.723 6 Ga 0.99626280471213 0.00373719528787 0.75000000000000 69.723 7 Cs 0.35756443552661 0.64243556447339 0.75000000000000 132.905 8 Cs 0.64243556447339 0.35756443552661 0.25000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.802290020065753 0.000000000000000 0.000000000000000 b 0.000000000000000 12.034696520000001 0.000000000000000 c -6.943205360091582 0.000000000000000 16.238212555128101 Atomic positions (fractional): 1 S 0.09142041787862 0.89791331456022 0.19878309680167 32.065 > 1 2 S 0.59142041787862 0.89791331456022 0.19878309680167 32.065 > 1 3 S 0.09142041787862 0.89791331456022 0.53211643013500 32.065 > 1 4 S 0.59142041787862 0.89791331456022 0.53211643013500 32.065 > 1 5 S 0.09142041787862 0.89791331456022 0.86544976346834 32.065 > 1 6 S 0.59142041787862 0.89791331456022 0.86544976346834 32.065 > 1 7 S 0.40857958212138 0.89791331456022 0.30121690319833 32.065 > 7 8 S 0.90857958212138 0.89791331456022 0.30121690319833 32.065 > 7 9 S 0.40857958212138 0.89791331456022 0.63455023653166 32.065 > 7 10 S 0.90857958212138 0.89791331456022 0.63455023653166 32.065 > 7 11 S 0.40857958212138 0.89791331456022 0.96788356986500 32.065 > 7 12 S 0.90857958212138 0.89791331456022 0.96788356986500 32.065 > 7 13 S 0.09142041787862 0.10208668543978 0.03211643013500 32.065 > 13 14 S 0.59142041787862 0.10208668543978 0.03211643013500 32.065 > 13 15 S 0.09142041787862 0.10208668543978 0.36544976346834 32.065 > 13 16 S 0.59142041787862 0.10208668543978 0.36544976346834 32.065 > 13 17 S 0.09142041787862 0.10208668543978 0.69878309680167 32.065 > 13 18 S 0.59142041787862 0.10208668543978 0.69878309680167 32.065 > 13 19 S 0.40857958212138 0.10208668543978 0.13455023653166 32.065 > 19 20 S 0.90857958212138 0.10208668543978 0.13455023653166 32.065 > 19 21 S 0.40857958212138 0.10208668543978 0.46788356986500 32.065 > 19 22 S 0.90857958212138 0.10208668543978 0.46788356986500 32.065 > 19 23 S 0.40857958212138 0.10208668543978 0.80121690319833 32.065 > 19 24 S 0.90857958212138 0.10208668543978 0.80121690319833 32.065 > 19 25 S 0.34142041787862 0.39791331456022 0.19878309680167 32.065 > 1 26 S 0.84142041787862 0.39791331456022 0.19878309680167 32.065 > 1 27 S 0.34142041787862 0.39791331456022 0.53211643013500 32.065 > 1 28 S 0.84142041787862 0.39791331456022 0.53211643013500 32.065 > 1 29 S 0.34142041787862 0.39791331456022 0.86544976346834 32.065 > 1 30 S 0.84142041787862 0.39791331456022 0.86544976346834 32.065 > 1 31 S 0.15857958212138 0.39791331456022 0.30121690319833 32.065 > 7 32 S 0.65857958212138 0.39791331456022 0.30121690319833 32.065 > 7 33 S 0.15857958212138 0.39791331456022 0.63455023653166 32.065 > 7 34 S 0.65857958212138 0.39791331456022 0.63455023653166 32.065 > 7 35 S 0.15857958212138 0.39791331456022 0.96788356986500 32.065 > 7 36 S 0.65857958212138 0.39791331456022 0.96788356986500 32.065 > 7 37 S 0.34142041787862 0.60208668543978 0.03211643013500 32.065 > 13 38 S 0.84142041787862 0.60208668543978 0.03211643013500 32.065 > 13 39 S 0.34142041787862 0.60208668543978 0.36544976346834 32.065 > 13 40 S 0.84142041787862 0.60208668543978 0.36544976346834 32.065 > 13 41 S 0.34142041787862 0.60208668543978 0.69878309680167 32.065 > 13 42 S 0.84142041787862 0.60208668543978 0.69878309680167 32.065 > 13 43 S 0.15857958212138 0.60208668543978 0.13455023653166 32.065 > 19 44 S 0.65857958212138 0.60208668543978 0.13455023653166 32.065 > 19 45 S 0.15857958212138 0.60208668543978 0.46788356986500 32.065 > 19 46 S 0.65857958212138 0.60208668543978 0.46788356986500 32.065 > 19 47 S 0.15857958212138 0.60208668543978 0.80121690319833 32.065 > 19 48 S 0.65857958212138 0.60208668543978 0.80121690319833 32.065 > 19 49 Ga 0.25000000000000 0.49626280471213 0.08333333333333 69.723 > 49 50 Ga 0.75000000000000 0.49626280471213 0.08333333333333 69.723 > 49 51 Ga 0.25000000000000 0.49626280471213 0.41666666666667 69.723 > 49 52 Ga 0.75000000000000 0.49626280471213 0.41666666666667 69.723 > 49 53 Ga 0.25000000000000 0.49626280471213 0.75000000000000 69.723 > 49 54 Ga 0.75000000000000 0.49626280471213 0.75000000000000 69.723 > 49 55 Ga 0.25000000000000 0.50373719528787 0.25000000000000 69.723 > 55 56 Ga 0.75000000000000 0.50373719528787 0.25000000000000 69.723 > 55 57 Ga 0.25000000000000 0.50373719528787 0.58333333333333 69.723 > 55 58 Ga 0.75000000000000 0.50373719528787 0.58333333333333 69.723 > 55 59 Ga 0.25000000000000 0.50373719528787 0.91666666666667 69.723 > 55 60 Ga 0.75000000000000 0.50373719528787 0.91666666666667 69.723 > 55 61 Ga 0.00000000000000 0.99626280471213 0.08333333333333 69.723 > 49 62 Ga 0.50000000000000 0.99626280471213 0.08333333333333 69.723 > 49 63 Ga 0.00000000000000 0.99626280471213 0.41666666666667 69.723 > 49 64 Ga 0.50000000000000 0.99626280471213 0.41666666666667 69.723 > 49 65 Ga 0.00000000000000 0.99626280471213 0.75000000000000 69.723 > 49 66 Ga 0.50000000000000 0.99626280471213 0.75000000000000 69.723 > 49 67 Ga 0.00000000000000 0.00373719528787 0.25000000000000 69.723 > 55 68 Ga 0.50000000000000 0.00373719528787 0.25000000000000 69.723 > 55 69 Ga 0.00000000000000 0.00373719528787 0.58333333333333 69.723 > 55 70 Ga 0.50000000000000 0.00373719528787 0.58333333333333 69.723 > 55 71 Ga 0.00000000000000 0.00373719528787 0.91666666666667 69.723 > 55 72 Ga 0.50000000000000 0.00373719528787 0.91666666666667 69.723 > 55 73 Cs 0.25000000000000 0.14243556447339 0.25000000000000 132.905 > 73 74 Cs 0.75000000000000 0.14243556447339 0.25000000000000 132.905 > 73 75 Cs 0.25000000000000 0.14243556447339 0.58333333333333 132.905 > 73 76 Cs 0.75000000000000 0.14243556447339 0.58333333333333 132.905 > 73 77 Cs 0.25000000000000 0.14243556447339 0.91666666666667 132.905 > 73 78 Cs 0.75000000000000 0.14243556447339 0.91666666666667 132.905 > 73 79 Cs 0.25000000000000 0.85756443552661 0.08333333333333 132.905 > 79 80 Cs 0.75000000000000 0.85756443552661 0.08333333333333 132.905 > 79 81 Cs 0.25000000000000 0.85756443552661 0.41666666666667 132.905 > 79 82 Cs 0.75000000000000 0.85756443552661 0.41666666666667 132.905 > 79 83 Cs 0.25000000000000 0.85756443552661 0.75000000000000 132.905 > 79 84 Cs 0.75000000000000 0.85756443552661 0.75000000000000 132.905 > 79 85 Cs 0.00000000000000 0.64243556447339 0.25000000000000 132.905 > 73 86 Cs 0.50000000000000 0.64243556447339 0.25000000000000 132.905 > 73 87 Cs 0.00000000000000 0.64243556447339 0.58333333333333 132.905 > 73 88 Cs 0.50000000000000 0.64243556447339 0.58333333333333 132.905 > 73 89 Cs 0.00000000000000 0.64243556447339 0.91666666666667 132.905 > 73 90 Cs 0.50000000000000 0.64243556447339 0.91666666666667 132.905 > 73 91 Cs 0.00000000000000 0.35756443552661 0.08333333333333 132.905 > 79 92 Cs 0.50000000000000 0.35756443552661 0.08333333333333 132.905 > 79 93 Cs 0.00000000000000 0.35756443552661 0.41666666666667 132.905 > 79 94 Cs 0.50000000000000 0.35756443552661 0.41666666666667 132.905 > 79 95 Cs 0.00000000000000 0.35756443552661 0.75000000000000 132.905 > 79 96 Cs 0.50000000000000 0.35756443552661 0.75000000000000 132.905 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8329647 0.0000000 -0.3340337 0.0000000 3.5939691 0.0000000 -0.3340339 0.0000000 4.4127637 -------------------------- Born effective charges -------------------------- 1 S -1.6068548 0.3408912 0.3514689 0.2984153 -1.3295432 0.2480790 0.3522064 0.2494162 -2.2788666 2 S -1.6068548 -0.3408912 0.3514689 -0.2984153 -1.3295432 -0.2480790 0.3522064 -0.2494162 -2.2788666 3 S -1.6068548 -0.3408912 0.3514689 -0.2984153 -1.3295432 -0.2480790 0.3522064 -0.2494162 -2.2788666 4 S -1.6068548 0.3408912 0.3514689 0.2984153 -1.3295432 0.2480790 0.3522064 0.2494162 -2.2788666 5 Ga 1.7942579 0.0000000 -0.6995175 0.0000000 1.2503585 0.0000000 -0.6622158 0.0000000 3.2296520 6 Ga 1.7942579 0.0000000 -0.6995175 0.0000000 1.2503585 0.0000000 -0.6622158 0.0000000 3.2296520 7 Cs 1.4194518 0.0000000 -0.0034204 0.0000000 1.4087278 0.0000000 -0.0421970 0.0000000 1.3280812 8 Cs 1.4194518 0.0000000 -0.0034204 0.0000000 1.4087278 0.0000000 -0.0421970 0.0000000 1.3280812 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 73, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (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 2026-01-07 20:39:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:39:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.700572505016438 -6.017348260000000 0.000000000000000 b 3.700572505016438 6.017348260000000 0.000000000000000 c -2.314401786697194 0.000000000000000 5.412737518376034 Atomic positions (fractional): 1 S 0.28492752119702 0.08075415031746 0.59634929040501 32.065 2 S 0.91924584968254 0.71507247880298 0.90365070959499 32.065 3 S 0.08075415031746 0.28492752119702 0.09634929040501 32.065 4 S 0.71507247880298 0.91924584968254 0.40365070959499 32.065 5 Ga 0.00373719528787 0.99626280471213 0.25000000000000 69.723 6 Ga 0.99626280471213 0.00373719528787 0.75000000000000 69.723 7 Cs 0.35756443552661 0.64243556447339 0.75000000000000 132.905 8 Cs 0.64243556447339 0.35756443552661 0.25000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.802290020065753 0.000000000000000 0.000000000000000 b 0.000000000000000 12.034696520000001 0.000000000000000 c -6.943205360091582 0.000000000000000 16.238212555128101 Atomic positions (fractional): 1 S 0.09142041787862 0.89791331456022 0.19878309680167 32.065 > 1 2 S 0.59142041787862 0.89791331456022 0.19878309680167 32.065 > 1 3 S 0.09142041787862 0.89791331456022 0.53211643013500 32.065 > 1 4 S 0.59142041787862 0.89791331456022 0.53211643013500 32.065 > 1 5 S 0.09142041787862 0.89791331456022 0.86544976346834 32.065 > 1 6 S 0.59142041787862 0.89791331456022 0.86544976346834 32.065 > 1 7 S 0.40857958212138 0.89791331456022 0.30121690319833 32.065 > 7 8 S 0.90857958212138 0.89791331456022 0.30121690319833 32.065 > 7 9 S 0.40857958212138 0.89791331456022 0.63455023653166 32.065 > 7 10 S 0.90857958212138 0.89791331456022 0.63455023653166 32.065 > 7 11 S 0.40857958212138 0.89791331456022 0.96788356986500 32.065 > 7 12 S 0.90857958212138 0.89791331456022 0.96788356986500 32.065 > 7 13 S 0.09142041787862 0.10208668543978 0.03211643013500 32.065 > 13 14 S 0.59142041787862 0.10208668543978 0.03211643013500 32.065 > 13 15 S 0.09142041787862 0.10208668543978 0.36544976346834 32.065 > 13 16 S 0.59142041787862 0.10208668543978 0.36544976346834 32.065 > 13 17 S 0.09142041787862 0.10208668543978 0.69878309680167 32.065 > 13 18 S 0.59142041787862 0.10208668543978 0.69878309680167 32.065 > 13 19 S 0.40857958212138 0.10208668543978 0.13455023653166 32.065 > 19 20 S 0.90857958212138 0.10208668543978 0.13455023653166 32.065 > 19 21 S 0.40857958212138 0.10208668543978 0.46788356986500 32.065 > 19 22 S 0.90857958212138 0.10208668543978 0.46788356986500 32.065 > 19 23 S 0.40857958212138 0.10208668543978 0.80121690319833 32.065 > 19 24 S 0.90857958212138 0.10208668543978 0.80121690319833 32.065 > 19 25 S 0.34142041787862 0.39791331456022 0.19878309680167 32.065 > 1 26 S 0.84142041787862 0.39791331456022 0.19878309680167 32.065 > 1 27 S 0.34142041787862 0.39791331456022 0.53211643013500 32.065 > 1 28 S 0.84142041787862 0.39791331456022 0.53211643013500 32.065 > 1 29 S 0.34142041787862 0.39791331456022 0.86544976346834 32.065 > 1 30 S 0.84142041787862 0.39791331456022 0.86544976346834 32.065 > 1 31 S 0.15857958212138 0.39791331456022 0.30121690319833 32.065 > 7 32 S 0.65857958212138 0.39791331456022 0.30121690319833 32.065 > 7 33 S 0.15857958212138 0.39791331456022 0.63455023653166 32.065 > 7 34 S 0.65857958212138 0.39791331456022 0.63455023653166 32.065 > 7 35 S 0.15857958212138 0.39791331456022 0.96788356986500 32.065 > 7 36 S 0.65857958212138 0.39791331456022 0.96788356986500 32.065 > 7 37 S 0.34142041787862 0.60208668543978 0.03211643013500 32.065 > 13 38 S 0.84142041787862 0.60208668543978 0.03211643013500 32.065 > 13 39 S 0.34142041787862 0.60208668543978 0.36544976346834 32.065 > 13 40 S 0.84142041787862 0.60208668543978 0.36544976346834 32.065 > 13 41 S 0.34142041787862 0.60208668543978 0.69878309680167 32.065 > 13 42 S 0.84142041787862 0.60208668543978 0.69878309680167 32.065 > 13 43 S 0.15857958212138 0.60208668543978 0.13455023653166 32.065 > 19 44 S 0.65857958212138 0.60208668543978 0.13455023653166 32.065 > 19 45 S 0.15857958212138 0.60208668543978 0.46788356986500 32.065 > 19 46 S 0.65857958212138 0.60208668543978 0.46788356986500 32.065 > 19 47 S 0.15857958212138 0.60208668543978 0.80121690319833 32.065 > 19 48 S 0.65857958212138 0.60208668543978 0.80121690319833 32.065 > 19 49 Ga 0.25000000000000 0.49626280471213 0.08333333333333 69.723 > 49 50 Ga 0.75000000000000 0.49626280471213 0.08333333333333 69.723 > 49 51 Ga 0.25000000000000 0.49626280471213 0.41666666666667 69.723 > 49 52 Ga 0.75000000000000 0.49626280471213 0.41666666666667 69.723 > 49 53 Ga 0.25000000000000 0.49626280471213 0.75000000000000 69.723 > 49 54 Ga 0.75000000000000 0.49626280471213 0.75000000000000 69.723 > 49 55 Ga 0.25000000000000 0.50373719528787 0.25000000000000 69.723 > 55 56 Ga 0.75000000000000 0.50373719528787 0.25000000000000 69.723 > 55 57 Ga 0.25000000000000 0.50373719528787 0.58333333333333 69.723 > 55 58 Ga 0.75000000000000 0.50373719528787 0.58333333333333 69.723 > 55 59 Ga 0.25000000000000 0.50373719528787 0.91666666666667 69.723 > 55 60 Ga 0.75000000000000 0.50373719528787 0.91666666666667 69.723 > 55 61 Ga 0.00000000000000 0.99626280471213 0.08333333333333 69.723 > 49 62 Ga 0.50000000000000 0.99626280471213 0.08333333333333 69.723 > 49 63 Ga 0.00000000000000 0.99626280471213 0.41666666666667 69.723 > 49 64 Ga 0.50000000000000 0.99626280471213 0.41666666666667 69.723 > 49 65 Ga 0.00000000000000 0.99626280471213 0.75000000000000 69.723 > 49 66 Ga 0.50000000000000 0.99626280471213 0.75000000000000 69.723 > 49 67 Ga 0.00000000000000 0.00373719528787 0.25000000000000 69.723 > 55 68 Ga 0.50000000000000 0.00373719528787 0.25000000000000 69.723 > 55 69 Ga 0.00000000000000 0.00373719528787 0.58333333333333 69.723 > 55 70 Ga 0.50000000000000 0.00373719528787 0.58333333333333 69.723 > 55 71 Ga 0.00000000000000 0.00373719528787 0.91666666666667 69.723 > 55 72 Ga 0.50000000000000 0.00373719528787 0.91666666666667 69.723 > 55 73 Cs 0.25000000000000 0.14243556447339 0.25000000000000 132.905 > 73 74 Cs 0.75000000000000 0.14243556447339 0.25000000000000 132.905 > 73 75 Cs 0.25000000000000 0.14243556447339 0.58333333333333 132.905 > 73 76 Cs 0.75000000000000 0.14243556447339 0.58333333333333 132.905 > 73 77 Cs 0.25000000000000 0.14243556447339 0.91666666666667 132.905 > 73 78 Cs 0.75000000000000 0.14243556447339 0.91666666666667 132.905 > 73 79 Cs 0.25000000000000 0.85756443552661 0.08333333333333 132.905 > 79 80 Cs 0.75000000000000 0.85756443552661 0.08333333333333 132.905 > 79 81 Cs 0.25000000000000 0.85756443552661 0.41666666666667 132.905 > 79 82 Cs 0.75000000000000 0.85756443552661 0.41666666666667 132.905 > 79 83 Cs 0.25000000000000 0.85756443552661 0.75000000000000 132.905 > 79 84 Cs 0.75000000000000 0.85756443552661 0.75000000000000 132.905 > 79 85 Cs 0.00000000000000 0.64243556447339 0.25000000000000 132.905 > 73 86 Cs 0.50000000000000 0.64243556447339 0.25000000000000 132.905 > 73 87 Cs 0.00000000000000 0.64243556447339 0.58333333333333 132.905 > 73 88 Cs 0.50000000000000 0.64243556447339 0.58333333333333 132.905 > 73 89 Cs 0.00000000000000 0.64243556447339 0.91666666666667 132.905 > 73 90 Cs 0.50000000000000 0.64243556447339 0.91666666666667 132.905 > 73 91 Cs 0.00000000000000 0.35756443552661 0.08333333333333 132.905 > 79 92 Cs 0.50000000000000 0.35756443552661 0.08333333333333 132.905 > 79 93 Cs 0.00000000000000 0.35756443552661 0.41666666666667 132.905 > 79 94 Cs 0.50000000000000 0.35756443552661 0.41666666666667 132.905 > 79 95 Cs 0.00000000000000 0.35756443552661 0.75000000000000 132.905 > 79 96 Cs 0.50000000000000 0.35756443552661 0.75000000000000 132.905 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8329647 0.0000000 -0.3340337 0.0000000 3.5939691 0.0000000 -0.3340339 0.0000000 4.4127637 -------------------------- Born effective charges -------------------------- 1 S -1.6068548 0.3408912 0.3514689 0.2984153 -1.3295432 0.2480790 0.3522064 0.2494162 -2.2788666 2 S -1.6068548 -0.3408912 0.3514689 -0.2984153 -1.3295432 -0.2480790 0.3522064 -0.2494162 -2.2788666 3 S -1.6068548 -0.3408912 0.3514689 -0.2984153 -1.3295432 -0.2480790 0.3522064 -0.2494162 -2.2788666 4 S -1.6068548 0.3408912 0.3514689 0.2984153 -1.3295432 0.2480790 0.3522064 0.2494162 -2.2788666 5 Ga 1.7942579 0.0000000 -0.6995175 0.0000000 1.2503585 0.0000000 -0.6622158 0.0000000 3.2296520 6 Ga 1.7942579 0.0000000 -0.6995175 0.0000000 1.2503585 0.0000000 -0.6622158 0.0000000 3.2296520 7 Cs 1.4194518 0.0000000 -0.0034204 0.0000000 1.4087278 0.0000000 -0.0421970 0.0000000 1.3280812 8 Cs 1.4194518 0.0000000 -0.0034204 0.0000000 1.4087278 0.0000000 -0.0421970 0.0000000 1.3280812 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 8 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/165) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/165) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( 6.581 -3.678 9.251) 11.934 0.293 ( 10.307 -7.821 3.213) 13.331 0.488 ( 16.911 -13.397 8.159) 23.066 0.913 ( 1.024 -2.812 0.291) 3.007 1.292 ( -1.241 0.211 -1.021) 1.620 1.445 ( -3.613 1.641 4.570) 6.053 1.593 ( -0.179 3.069 -3.282) 4.497 1.946 ( 4.111 0.641 1.828) 4.544 2.333 ( -0.532 2.531 -0.910) 2.741 2.380 ( -1.172 -0.216 -2.955) 3.186 3.160 ( -1.455 0.163 0.159) 1.473 3.356 ( -0.221 0.004 0.062) 0.230 4.080 ( -0.372 0.383 -0.400) 0.667 4.604 ( -1.604 -2.271 -0.617) 2.848 4.807 ( 2.559 1.581 -2.162) 3.704 6.382 ( 0.224 -0.613 0.451) 0.794 8.213 ( 2.424 -0.136 -4.279) 4.920 8.366 ( -0.206 0.341 -0.194) 0.443 8.472 ( -0.225 0.191 0.085) 0.307 8.878 ( 0.164 -0.158 0.047) 0.233 10.168 ( -0.051 0.078 0.146) 0.173 10.451 ( 0.494 2.073 0.289) 2.151 11.033 ( -3.092 2.699 5.118) 6.560 11.463 ( 1.290 -0.865 1.340) 2.051 ======================= Grid point 2 (3/165) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 9.688 -3.413 10.624) 14.778 0.547 ( 8.635 -5.886 2.575) 10.763 0.943 ( 8.094 -6.940 4.750) 11.672 0.979 ( 8.267 -8.627 2.529) 12.213 1.253 ( -1.746 0.182 -1.054) 2.047 1.371 ( -4.470 2.483 0.619) 5.151 1.532 ( -1.024 2.347 -3.813) 4.593 2.018 ( 1.947 -1.933 1.075) 2.947 2.246 ( -4.149 4.161 -3.125) 6.656 2.363 ( 1.089 0.754 0.187) 1.337 3.139 ( -1.107 -0.277 0.922) 1.467 3.352 ( -0.382 -0.013 0.177) 0.421 4.065 ( -0.363 0.367 -0.449) 0.684 4.592 ( -1.431 -1.407 -0.765) 2.147 4.822 ( 1.604 0.367 -0.734) 1.802 6.397 ( 0.210 -0.740 0.541) 0.941 8.224 ( 1.263 -0.094 -1.893) 2.277 8.354 ( -0.342 0.563 -0.431) 0.787 8.468 ( -0.136 0.153 0.263) 0.333 8.882 ( 0.047 -0.029 -0.021) 0.059 10.166 ( -0.207 0.172 0.146) 0.306 10.434 ( -1.735 -1.458 -1.080) 2.510 10.989 ( -0.892 3.672 2.082) 4.315 11.506 ( 1.381 -0.705 1.452) 2.124 ======================= Grid point 3 (4/165) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 9.157 -1.542 7.325) 11.827 0.742 ( 6.973 -4.780 4.363) 9.514 0.982 ( -0.416 -1.820 -0.279) 1.887 1.173 ( -3.239 1.123 -1.708) 3.830 1.270 ( -3.311 1.391 -1.768) 4.003 1.416 ( 12.403 -11.087 5.325) 17.467 1.453 ( -1.063 2.147 -2.066) 3.164 2.047 ( -5.847 -0.696 -2.522) 6.405 2.077 ( -1.384 5.695 -1.534) 6.059 2.392 ( 1.885 0.206 0.788) 2.053 3.143 ( -0.170 -0.566 1.175) 1.316 3.347 ( -0.277 0.001 0.136) 0.308 4.056 ( -0.125 0.123 -0.233) 0.292 4.577 ( -0.977 -0.727 -0.592) 1.354 4.839 ( 0.927 -0.013 -0.239) 0.958 6.409 ( 0.075 -0.438 0.312) 0.543 8.228 ( 0.420 0.077 -0.953) 1.044 8.340 ( -0.185 0.370 -0.355) 0.545 8.468 ( -0.012 0.059 0.245) 0.252 8.880 ( -0.103 0.057 -0.076) 0.140 10.160 ( -0.250 0.178 0.052) 0.312 10.412 ( -1.634 -1.510 -0.965) 2.425 10.962 ( 0.047 2.367 1.020) 2.578 11.539 ( 0.797 -0.292 0.858) 1.207 ======================= Grid point 4 (5/165) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 -0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 -0.000 0.000) 0.000 1.038 ( -0.000 0.000 -0.000) 0.000 1.232 ( 0.000 -0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 -0.000 0.000) 0.000 1.792 ( -0.000 0.000 -0.000) 0.000 2.077 ( 0.000 -0.000 0.000) 0.000 2.413 ( 0.000 -0.000 0.000) 0.000 3.151 ( 0.000 -0.000 0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 4.054 ( 0.000 -0.000 0.000) 0.000 4.569 ( 0.000 -0.000 0.000) 0.000 4.847 ( 0.000 -0.000 0.000) 0.000 6.413 ( 0.000 -0.000 0.000) 0.000 8.227 ( 0.000 -0.000 0.000) 0.000 8.336 ( 0.000 -0.000 0.000) 0.000 8.469 ( 0.000 -0.000 0.000) 0.000 8.878 ( 0.000 -0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 -0.000 0.000) 0.000 10.954 ( 0.000 -0.000 0.000) 0.000 11.550 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/165) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 9.816 -0.000 12.092) 15.575 0.497 ( 13.510 -0.000 3.076) 13.856 0.809 ( 18.703 -0.000 9.256) 20.868 0.926 ( 2.077 -0.000 -0.358) 2.107 1.255 ( -1.828 0.000 -1.178) 2.175 1.403 ( -6.017 0.000 2.898) 6.678 1.568 ( -1.343 0.000 -5.087) 5.261 1.975 ( 0.925 -0.000 0.950) 1.326 2.300 ( -3.501 0.000 -4.174) 5.448 2.369 ( 1.167 -0.000 0.263) 1.196 3.137 ( -1.649 0.000 1.463) 2.205 3.351 ( -0.385 0.000 0.198) 0.433 4.076 ( -0.354 0.000 -0.343) 0.493 4.573 ( -0.742 0.000 -0.451) 0.868 4.826 ( 1.356 -0.000 -1.705) 2.178 6.385 ( 0.316 -0.000 0.490) 0.583 8.223 ( 1.815 -0.000 -2.931) 3.447 8.360 ( -0.360 0.000 -0.534) 0.644 8.470 ( -0.231 0.000 0.170) 0.287 8.881 ( -0.052 0.000 0.434) 0.437 10.168 ( -0.230 0.000 0.196) 0.302 10.422 ( -1.909 0.000 -1.267) 2.291 11.038 ( -2.629 0.000 3.069) 4.041 11.492 ( 1.831 -0.000 1.263) 2.225 ======================= Grid point 11 (7/165) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 11.093 -1.464 10.528) 15.364 0.730 ( 11.708 1.535 2.639) 12.099 0.966 ( 2.883 -0.095 -0.682) 2.964 1.183 ( 8.655 -1.720 4.650) 9.975 1.232 ( 4.467 -3.639 2.967) 6.481 1.290 ( -6.896 0.399 -1.200) 7.011 1.489 ( -2.623 1.150 -4.398) 5.248 1.992 ( -1.243 -2.294 -0.531) 2.663 2.183 ( -4.893 2.818 -3.772) 6.791 2.397 ( 1.584 0.179 0.688) 1.736 3.134 ( -0.477 -0.224 2.466) 2.522 3.347 ( -0.266 -0.003 0.154) 0.307 4.066 ( -0.221 0.509 -0.007) 0.555 4.565 ( -0.200 -0.342 -0.275) 0.482 4.837 ( 0.981 -0.131 -1.190) 1.548 6.397 ( 0.324 -0.497 0.278) 0.655 8.228 ( 0.867 -0.014 -2.037) 2.214 8.348 ( -0.268 0.246 -0.753) 0.837 8.468 ( -0.090 -0.014 0.149) 0.175 8.881 ( -0.463 0.014 0.768) 0.897 10.163 ( -0.403 0.060 0.082) 0.416 10.399 ( -0.015 -0.026 -0.300) 0.301 10.998 ( -2.709 0.983 0.783) 2.987 11.530 ( 1.196 -0.350 0.919) 1.548 ======================= Grid point 12 (8/165) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 5.533 3.987 0.235) 6.824 0.934 ( 8.192 -0.300 5.437) 9.837 1.022 ( 4.155 1.912 2.137) 5.048 1.087 ( -5.404 3.025 -4.708) 7.779 1.220 ( -1.655 -1.040 0.691) 2.073 1.382 ( -2.897 -1.761 -1.963) 3.918 1.599 ( 11.971 -8.069 5.936) 15.609 1.914 ( -7.583 3.535 -3.646) 9.126 2.075 ( -1.572 0.258 -1.541) 2.217 2.415 ( 0.036 0.190 0.155) 0.248 3.151 ( 0.046 0.022 1.953) 1.954 3.345 ( -0.006 0.008 0.024) 0.026 4.061 ( 0.155 0.568 0.471) 0.754 4.571 ( 0.819 0.115 0.240) 0.861 4.842 ( 0.222 -0.342 -0.975) 1.057 6.407 ( 0.194 -0.445 -0.078) 0.491 8.225 ( 0.272 -0.109 -1.299) 1.332 8.338 ( -0.013 0.190 -0.551) 0.583 8.468 ( -0.075 -0.072 -0.099) 0.143 8.878 ( -0.570 -0.007 1.076) 1.217 10.157 ( -0.285 -0.042 -0.010) 0.288 10.418 ( 2.629 1.328 1.120) 3.151 10.945 ( -3.152 -0.666 -0.687) 3.294 11.548 ( 0.127 -0.155 0.108) 0.227 ======================= Grid point 13 (9/165) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -6.619 4.993 -6.383) 10.463 0.874 ( -2.045 7.290 -2.639) 8.018 1.043 ( 3.451 3.639 -0.541) 5.044 1.152 ( 3.839 -1.038 2.791) 4.859 1.242 ( 2.135 -0.719 3.471) 4.138 1.389 ( 0.766 -3.918 0.807) 4.073 1.648 ( -10.217 10.435 -4.451) 15.268 1.893 ( 6.654 -9.126 3.591) 11.851 2.069 ( 0.661 -1.030 -0.246) 1.248 2.390 ( -2.288 0.088 -0.847) 2.441 3.156 ( -0.148 0.603 0.484) 0.787 3.347 ( 0.235 -0.013 -0.123) 0.266 4.066 ( 0.663 0.910 0.844) 1.407 4.592 ( 1.720 0.742 0.821) 2.045 4.835 ( -0.822 -0.422 -0.848) 1.254 6.410 ( -0.051 -0.259 -0.428) 0.503 8.224 ( 0.103 -0.254 -0.371) 0.462 8.336 ( 0.106 -0.065 -0.170) 0.211 8.466 ( -0.118 -0.172 -0.390) 0.442 8.879 ( -0.391 -0.076 1.169) 1.235 10.156 ( 0.056 -0.233 -0.016) 0.240 10.466 ( 4.154 3.552 2.061) 5.841 10.904 ( -2.846 -3.108 -1.408) 4.443 11.540 ( -0.928 -0.141 -0.839) 1.259 ======================= Grid point 14 (10/165) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -7.496 6.340 -7.397) 12.292 0.722 ( -4.114 9.898 -1.881) 10.882 1.043 ( 1.909 4.666 -1.264) 5.198 1.192 ( -1.825 1.755 0.262) 2.545 1.285 ( -6.291 7.545 -3.704) 10.499 1.350 ( 2.481 2.639 2.602) 4.460 1.483 ( 1.710 -2.123 2.399) 3.631 1.988 ( -4.253 -4.896 -1.131) 6.583 2.168 ( 6.116 -3.326 2.154) 7.288 2.343 ( -2.300 -0.930 -0.819) 2.613 3.148 ( 0.103 0.510 -0.085) 0.527 3.351 ( 0.328 -0.070 -0.216) 0.399 4.078 ( 1.430 1.482 1.105) 2.337 4.621 ( 1.987 1.301 1.043) 2.594 4.812 ( -1.814 -0.622 -0.667) 2.030 6.404 ( -0.475 -0.110 -0.743) 0.889 8.226 ( -0.292 -0.014 0.429) 0.519 8.341 ( 0.239 -0.499 0.117) 0.565 8.463 ( -0.067 -0.331 -0.465) 0.575 8.882 ( -0.271 -0.023 0.899) 0.939 10.161 ( 0.211 -0.261 -0.034) 0.338 10.493 ( 1.862 4.204 1.094) 4.726 10.910 ( 0.511 -3.856 -0.477) 3.919 11.509 ( -1.906 -0.369 -1.723) 2.596 ======================= Grid point 15 (11/165) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -3.796 8.168 -4.143) 9.914 0.510 ( -5.763 11.657 -1.715) 13.116 0.867 ( -7.450 19.969 -4.722) 21.830 1.010 ( -0.513 6.060 -0.776) 6.131 1.257 ( -0.287 -3.133 -0.407) 3.172 1.429 ( 3.191 0.510 2.762) 4.251 1.550 ( 2.737 -1.340 1.732) 3.505 1.905 ( -8.424 -2.966 -2.758) 9.346 2.289 ( 3.119 -2.259 0.186) 3.856 2.346 ( 0.507 -2.961 1.009) 3.169 3.155 ( 0.692 -0.263 0.342) 0.816 3.355 ( 0.113 -0.115 -0.119) 0.200 4.098 ( 2.016 2.021 1.117) 3.065 4.646 ( 2.023 1.606 0.910) 2.738 4.778 ( -2.773 -1.060 -0.419) 2.999 6.387 ( -0.875 -0.103 -0.814) 1.199 8.219 ( -0.777 0.397 0.986) 1.317 8.354 ( 0.242 -0.728 0.144) 0.781 8.465 ( 0.062 -0.502 -0.234) 0.557 8.881 ( -0.226 0.141 0.407) 0.487 10.166 ( 0.119 -0.127 -0.037) 0.178 10.453 ( -2.330 2.235 -1.213) 3.448 10.989 ( 4.551 -1.581 1.067) 4.935 11.461 ( -2.673 -0.881 -2.221) 3.585 ======================= Grid point 16 (12/165) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( -0.000 9.184 0.000) 9.184 0.299 ( -0.000 14.124 0.000) 14.124 0.531 ( -0.000 25.011 0.000) 25.011 0.942 ( -0.000 4.941 0.000) 4.941 1.279 ( 0.000 -2.599 -0.000) 2.599 1.460 ( -0.000 0.519 0.000) 0.519 1.634 ( -0.000 0.136 0.000) 0.136 1.772 ( 0.000 -1.203 -0.000) 1.203 2.336 ( 0.000 -1.559 -0.000) 1.559 2.397 ( 0.000 -2.721 -0.000) 2.721 3.169 ( 0.000 -0.480 -0.000) 0.480 3.356 ( 0.000 -0.132 -0.000) 0.132 4.106 ( -0.000 1.769 0.000) 1.769 4.671 ( -0.000 0.639 0.000) 0.639 4.740 ( 0.000 -0.287 -0.000) 0.287 6.374 ( 0.000 -0.085 -0.000) 0.085 8.210 ( -0.000 0.444 0.000) 0.444 8.363 ( 0.000 -0.578 -0.000) 0.578 8.470 ( 0.000 -0.472 -0.000) 0.472 8.879 ( -0.000 0.150 0.000) 0.150 10.168 ( 0.000 -0.049 -0.000) 0.049 10.381 ( -0.000 2.373 0.000) 2.373 11.062 ( 0.000 -0.349 -0.000) 0.349 11.428 ( 0.000 -1.044 -0.000) 1.044 ======================= Grid point 19 (13/165) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 9.657 -0.000 7.565) 12.268 0.920 ( 7.088 -0.000 -0.074) 7.089 1.058 ( 7.901 -0.000 0.425) 7.912 1.125 ( -8.372 0.000 -4.966) 9.734 1.207 ( -0.246 0.000 1.836) 1.852 1.348 ( -3.268 0.000 -1.058) 3.435 1.505 ( 9.708 -0.000 4.804) 10.832 1.941 ( -2.779 0.000 -1.453) 3.136 2.085 ( -4.877 0.000 -3.472) 5.987 2.418 ( 0.041 -0.000 0.224) 0.228 3.151 ( 0.062 -0.000 2.776) 2.776 3.345 ( -0.009 0.000 0.033) 0.034 4.069 ( 0.147 -0.000 0.642) 0.658 4.572 ( 1.166 -0.000 0.369) 1.223 4.838 ( 0.322 -0.000 -1.415) 1.451 6.401 ( 0.332 -0.000 -0.086) 0.342 8.224 ( 0.386 -0.000 -1.836) 1.876 8.341 ( -0.018 0.000 -0.798) 0.798 8.467 ( -0.107 0.000 -0.130) 0.168 8.878 ( -0.806 0.000 1.526) 1.726 10.156 ( -0.402 0.000 -0.016) 0.402 10.437 ( 3.811 -0.000 1.591) 4.130 10.936 ( -4.641 0.000 -1.002) 4.748 11.546 ( 0.212 -0.000 0.157) 0.264 ======================= Grid point 20 (14/165) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -6.888 4.115 -6.509) 10.332 0.996 ( 3.106 2.649 -0.987) 4.200 1.103 ( 3.741 1.567 0.517) 4.089 1.138 ( 1.282 0.804 1.197) 1.929 1.254 ( 0.656 0.187 3.768) 3.830 1.304 ( 3.725 -2.563 0.449) 4.544 1.723 ( 6.502 -5.393 3.867) 9.291 1.834 ( -5.316 6.263 -2.364) 8.549 2.018 ( -1.463 -3.234 -1.633) 3.907 2.393 ( -2.580 0.109 -0.845) 2.717 3.165 ( -0.315 0.261 1.582) 1.634 3.347 ( 0.171 -0.009 -0.120) 0.209 4.084 ( 1.167 0.603 1.376) 1.902 4.605 ( 2.123 0.347 0.938) 2.346 4.826 ( -0.719 -0.322 -1.570) 1.756 6.404 ( -0.038 -0.252 -0.467) 0.532 8.219 ( 0.404 -0.152 -1.214) 1.288 8.336 ( 0.088 0.055 -0.543) 0.553 8.462 ( -0.226 -0.103 -0.475) 0.536 8.877 ( -0.732 -0.035 1.900) 2.037 10.152 ( -0.070 -0.112 0.001) 0.132 10.538 ( 6.904 2.524 3.188) 8.012 10.844 ( -5.482 -2.072 -2.081) 6.219 11.536 ( -1.199 -0.139 -0.835) 1.468 ======================= Grid point 21 (15/165) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -5.782 6.204 -5.887) 10.324 0.926 ( -3.033 9.084 -1.538) 9.699 1.099 ( 0.856 -0.992 -0.917) 1.599 1.167 ( 0.654 0.152 0.445) 0.806 1.330 ( 2.133 -2.360 3.181) 4.499 1.421 ( 6.748 1.814 1.538) 7.155 1.609 ( -5.950 12.405 -1.953) 13.896 1.858 ( -1.155 -6.522 0.155) 6.625 2.078 ( 3.029 -5.700 0.578) 6.480 2.328 ( -3.682 -0.455 -1.340) 3.944 3.158 ( -0.687 0.429 0.398) 0.903 3.349 ( 0.226 -0.092 -0.235) 0.338 4.115 ( 2.401 1.691 1.842) 3.466 4.644 ( 2.209 0.852 1.107) 2.614 4.797 ( -1.843 -0.689 -1.580) 2.523 6.397 ( -0.593 -0.381 -0.760) 1.036 8.223 ( 0.477 -0.152 -0.448) 0.672 8.335 ( 0.060 -0.132 -0.220) 0.264 8.456 ( -0.255 -0.307 -0.611) 0.730 8.881 ( -0.461 -0.034 1.647) 1.711 10.156 ( 0.255 -0.213 0.063) 0.338 10.599 ( 1.355 5.655 0.851) 5.877 10.824 ( 1.740 -4.507 0.745) 4.888 11.497 ( -2.650 -0.580 -1.818) 3.266 ======================= Grid point 22 (16/165) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -2.787 8.030 -3.014) 9.018 0.746 ( -4.156 10.507 -1.065) 11.349 1.104 ( 1.201 3.256 -1.469) 3.768 1.178 ( -0.536 -1.768 0.753) 1.996 1.290 ( -2.924 15.834 -2.944) 16.369 1.438 ( -0.293 0.086 2.906) 2.922 1.539 ( 6.007 1.198 1.872) 6.405 1.838 ( -5.940 -3.230 -1.850) 7.010 2.205 ( 3.007 -6.403 0.493) 7.091 2.285 ( -1.898 -2.386 -0.601) 3.107 3.150 ( -0.229 -0.204 0.265) 0.405 3.352 ( 0.103 -0.152 -0.239) 0.301 4.151 ( 2.754 2.713 1.633) 4.197 4.674 ( 1.650 1.089 0.865) 2.158 4.758 ( -2.378 -0.910 -1.290) 2.855 6.382 ( -0.880 -0.308 -0.763) 1.205 8.227 ( 0.097 0.311 0.031) 0.327 8.339 ( 0.123 -0.583 -0.013) 0.596 8.453 ( -0.120 -0.555 -0.395) 0.692 8.884 ( -0.252 0.104 0.864) 0.906 10.163 ( 0.235 -0.141 0.055) 0.280 10.519 ( -2.893 3.611 -1.315) 4.810 10.959 ( 6.603 -1.392 3.074) 7.415 11.436 ( -3.631 -1.287 -2.381) 4.528 ======================= Grid point 23 (17/165) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -0.000 8.890 0.000) 8.890 0.579 ( -0.000 12.548 0.000) 12.548 1.028 ( -0.000 22.544 0.000) 22.544 1.060 ( -0.000 5.643 0.000) 5.643 1.209 ( 0.000 -3.777 -0.000) 3.777 1.459 ( 0.000 -1.000 -0.000) 1.000 1.635 ( 0.000 -0.040 -0.000) 0.040 1.747 ( 0.000 -0.732 -0.000) 0.732 2.291 ( 0.000 -2.593 -0.000) 2.593 2.308 ( 0.000 -5.991 -0.000) 5.991 3.156 ( 0.000 -0.718 -0.000) 0.718 3.353 ( 0.000 -0.167 -0.000) 0.167 4.156 ( -0.000 2.869 0.000) 2.869 4.688 ( -0.000 0.901 0.000) 0.901 4.731 ( 0.000 -0.629 -0.000) 0.629 6.371 ( 0.000 -0.136 -0.000) 0.136 8.222 ( -0.000 0.608 0.000) 0.608 8.348 ( 0.000 -0.792 -0.000) 0.792 8.458 ( 0.000 -0.687 -0.000) 0.687 8.883 ( -0.000 0.204 0.000) 0.204 10.166 ( 0.000 -0.076 -0.000) 0.076 10.445 ( -0.000 3.532 0.000) 3.532 11.053 ( 0.000 -0.488 -0.000) 0.488 11.399 ( 0.000 -1.646 -0.000) 1.646 ======================= Grid point 28 (18/165) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -5.322 0.000 -5.901) 7.947 1.055 ( 0.981 -0.000 0.917) 1.343 1.057 ( -6.271 0.000 -2.662) 6.813 1.178 ( 2.760 -0.000 -0.105) 2.762 1.271 ( 2.599 -0.000 3.139) 4.075 1.466 ( 8.243 -0.000 1.839) 8.446 1.769 ( 0.702 -0.000 1.162) 1.358 1.794 ( -3.705 0.000 -1.141) 3.877 1.972 ( 0.624 -0.000 -0.695) 0.934 2.324 ( -4.273 0.000 -1.492) 4.526 3.163 ( -0.970 0.000 0.526) 1.103 3.348 ( 0.165 -0.000 -0.215) 0.271 4.134 ( 2.738 -0.000 2.164) 3.490 4.653 ( 2.280 -0.000 1.129) 2.544 4.789 ( -1.840 0.000 -1.930) 2.667 6.393 ( -0.577 0.000 -0.712) 0.917 8.221 ( 0.761 -0.000 -0.742) 1.063 8.334 ( -0.020 0.000 -0.360) 0.361 8.452 ( -0.334 0.000 -0.649) 0.730 8.881 ( -0.533 0.000 1.939) 2.011 10.154 ( 0.281 -0.000 0.099) 0.298 10.704 ( -6.492 0.000 -2.740) 7.047 10.732 ( 9.895 -0.000 4.612) 10.917 11.491 ( -2.952 0.000 -1.830) 3.473 ======================= Grid point 30 (19/165) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -2.684 4.041 -3.319) 5.878 0.918 ( -4.256 5.121 -1.003) 6.734 1.073 ( -0.729 -2.484 0.804) 2.710 1.214 ( 2.386 2.859 -0.531) 3.762 1.341 ( 1.668 -3.661 0.835) 4.109 1.561 ( 2.970 2.780 0.832) 4.152 1.673 ( -0.676 11.686 -0.165) 11.707 1.781 ( -1.505 -1.825 -0.060) 2.366 2.037 ( 0.997 -8.574 -0.197) 8.634 2.250 ( -3.193 -0.940 -1.097) 3.505 3.147 ( -0.871 -0.068 -0.024) 0.874 3.349 ( 0.091 -0.072 -0.187) 0.220 4.196 ( 2.987 1.282 1.960) 3.795 4.690 ( 1.447 0.469 0.760) 1.701 4.742 ( -2.148 -0.507 -1.617) 2.736 6.377 ( -0.708 -0.146 -0.604) 0.942 8.231 ( 0.659 0.088 -0.243) 0.708 8.331 ( -0.116 -0.184 -0.153) 0.266 8.444 ( -0.231 -0.248 -0.456) 0.568 8.886 ( -0.246 0.039 1.161) 1.187 10.161 ( 0.330 -0.065 0.117) 0.356 10.581 ( -4.155 1.803 -1.814) 4.879 10.935 ( 8.539 -0.729 4.062) 9.484 11.415 ( -4.148 -0.597 -2.380) 4.819 ======================= Grid point 31 (20/165) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -0.000 6.538 0.000) 6.538 0.805 ( -0.000 8.661 0.000) 8.661 1.100 ( 0.000 -3.054 -0.000) 3.054 1.192 ( -0.000 3.716 0.000) 3.716 1.406 ( 0.000 -4.081 -0.000) 4.081 1.449 ( -0.000 16.849 0.000) 16.849 1.640 ( -0.000 1.258 0.000) 1.258 1.753 ( -0.000 1.084 0.000) 1.084 2.146 ( 0.000 -9.474 -0.000) 9.474 2.236 ( 0.000 -2.357 -0.000) 2.357 3.143 ( 0.000 -0.526 -0.000) 0.526 3.350 ( 0.000 -0.107 -0.000) 0.107 4.214 ( -0.000 2.354 0.000) 2.354 4.704 ( -0.000 0.637 0.000) 0.637 4.716 ( 0.000 -0.676 -0.000) 0.676 6.368 ( 0.000 -0.110 -0.000) 0.110 8.233 ( -0.000 0.424 0.000) 0.424 8.334 ( 0.000 -0.544 -0.000) 0.544 8.445 ( 0.000 -0.504 -0.000) 0.504 8.887 ( -0.000 0.140 0.000) 0.140 10.165 ( 0.000 -0.059 -0.000) 0.059 10.514 ( -0.000 2.665 0.000) 2.665 11.044 ( 0.000 -0.341 -0.000) 0.341 11.366 ( 0.000 -1.328 -0.000) 1.328 ======================= Grid point 39 (21/165) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -0.000 0.000 0.000) 0.000 0.904 ( -0.000 0.000 0.000) 0.000 1.054 ( -0.000 0.000 0.000) 0.000 1.261 ( -0.000 0.000 0.000) 0.000 1.330 ( -0.000 0.000 0.000) 0.000 1.594 ( -0.000 0.000 0.000) 0.000 1.752 ( -0.000 0.000 0.000) 0.000 1.770 ( -0.000 0.000 0.000) 0.000 1.979 ( 0.000 -0.000 -0.000) 0.000 2.209 ( -0.000 0.000 0.000) 0.000 3.137 ( -0.000 0.000 0.000) 0.000 3.349 ( -0.000 0.000 0.000) 0.000 4.241 ( -0.000 0.000 0.000) 0.000 4.708 ( -0.000 0.000 0.000) 0.000 4.711 ( -0.000 0.000 0.000) 0.000 6.367 ( -0.000 0.000 0.000) 0.000 8.238 ( -0.000 0.000 0.000) 0.000 8.328 ( -0.000 0.000 0.000) 0.000 8.439 ( -0.000 0.000 0.000) 0.000 8.888 ( -0.000 0.000 0.000) 0.000 10.164 ( -0.000 0.000 0.000) 0.000 10.543 ( -0.000 0.000 0.000) 0.000 11.040 ( -0.000 0.000 0.000) 0.000 11.351 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/165) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -0.306 0.000 12.286) 12.290 0.295 ( 4.559 -0.000 13.840) 14.572 0.761 ( -10.110 0.000 31.268) 32.862 0.924 ( -1.372 0.000 3.165) 3.449 1.297 ( -1.128 0.000 -1.005) 1.511 1.592 ( -3.302 0.000 -3.333) 4.692 1.823 ( 0.288 -0.000 5.036) 5.045 1.905 ( 3.291 -0.000 7.387) 8.087 1.949 ( 0.764 -0.000 1.378) 1.575 2.430 ( -3.279 0.000 7.485) 8.172 3.106 ( 4.404 -0.000 -6.596) 7.931 3.280 ( 3.172 -0.000 -7.434) 8.082 4.048 ( 0.663 -0.000 -3.706) 3.765 4.618 ( -1.277 0.000 2.062) 2.425 4.681 ( 1.861 -0.000 1.379) 2.317 6.240 ( 5.967 -0.000 -12.917) 14.228 8.373 ( -0.281 0.000 0.345) 0.444 8.481 ( -0.131 0.000 0.461) 0.479 8.932 ( -2.091 0.000 5.399) 5.790 9.799 ( -64.325 0.000 0.083) 64.325 10.171 ( -1.525 0.000 0.445) 1.589 10.468 ( -0.711 0.000 -1.761) 1.899 10.912 ( 22.608 -0.000 -1.015) 22.631 11.410 ( 2.446 -0.000 -2.827) 3.738 ======================= Grid point 70 (23/165) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 6.514 -4.506 9.727) 12.543 0.575 ( 8.783 -6.116 10.714) 15.143 0.873 ( 0.015 -2.239 22.750) 22.860 0.955 ( -1.324 -4.296 5.008) 6.730 1.266 ( -1.165 0.313 -1.111) 1.640 1.514 ( -1.915 1.989 -4.667) 5.423 1.707 ( -12.611 4.052 19.557) 23.620 1.978 ( 3.621 0.103 1.257) 3.835 2.101 ( 6.423 -3.047 -10.722) 12.865 2.433 ( -2.457 0.442 7.817) 8.206 3.121 ( 2.637 0.937 -4.949) 5.686 3.277 ( 2.811 -0.126 -7.882) 8.369 4.032 ( 0.846 0.032 -3.990) 4.079 4.613 ( -1.992 -1.165 1.580) 2.796 4.753 ( 3.778 -1.027 -0.418) 3.937 6.250 ( 6.071 -0.266 -12.927) 14.284 8.367 ( -0.639 0.190 0.565) 0.874 8.479 ( -0.359 0.110 0.552) 0.667 8.879 ( -42.171 7.976 31.903) 53.477 8.938 ( -1.958 0.183 5.617) 5.951 10.170 ( 0.088 0.068 0.160) 0.195 10.431 ( -1.325 -0.219 -1.822) 2.263 11.011 ( 2.583 4.011 -4.504) 6.561 11.449 ( 3.258 -1.059 -2.454) 4.214 ======================= Grid point 71 (24/165) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 6.407 -4.055 7.335) 10.549 0.806 ( 3.927 -2.776 11.942) 12.874 0.990 ( -0.968 -4.317 2.097) 4.896 1.159 ( 7.897 -5.325 9.817) 13.678 1.250 ( 1.288 -1.344 1.675) 2.504 1.415 ( -3.294 2.213 -2.325) 4.599 1.614 ( -12.406 1.799 20.078) 23.670 2.030 ( -0.086 -2.685 -0.271) 2.700 2.082 ( 1.322 3.529 -8.671) 9.454 2.456 ( -1.483 0.299 8.570) 8.703 3.116 ( 2.136 1.127 -3.936) 4.618 3.265 ( 2.822 -0.019 -8.602) 9.053 4.021 ( 1.362 0.257 -3.739) 3.987 4.600 ( -1.949 -0.866 1.576) 2.652 4.806 ( 1.711 -1.132 -0.304) 2.074 6.261 ( 5.962 -0.453 -13.359) 14.637 8.358 ( -0.946 0.074 1.079) 1.437 8.475 ( -0.542 0.123 0.893) 1.052 8.552 ( -18.752 2.300 24.064) 30.594 8.942 ( -1.950 0.607 5.684) 6.040 10.169 ( -0.244 0.189 0.274) 0.413 10.404 ( -1.288 -1.290 -1.587) 2.417 10.966 ( 1.117 3.540 -3.719) 5.255 11.491 ( 2.718 -0.604 -2.779) 3.934 ======================= Grid point 72 (25/165) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.162 -2.251 4.725) 5.663 0.937 ( 1.778 -1.266 4.626) 5.115 1.033 ( 0.319 -1.766 1.682) 2.459 1.193 ( -1.896 1.429 2.019) 3.116 1.310 ( -3.790 -0.608 1.833) 4.253 1.519 ( -0.270 -2.540 9.988) 10.309 1.575 ( 1.376 -4.353 16.318) 16.945 1.926 ( -6.217 4.945 -6.169) 10.058 2.064 ( 0.609 -0.661 -0.553) 1.055 2.489 ( -2.100 0.108 8.349) 8.610 3.110 ( 2.175 1.387 -4.648) 5.316 3.252 ( 3.338 0.064 -9.187) 9.775 4.018 ( 1.754 0.393 -3.361) 3.811 4.592 ( -1.231 -0.394 1.949) 2.339 4.835 ( 0.539 -1.121 -0.041) 1.244 6.266 ( 5.755 -0.338 -13.772) 14.930 8.352 ( -1.005 -0.324 1.660) 1.967 8.458 ( -10.583 -0.004 19.935) 22.570 8.473 ( -0.408 -0.035 0.202) 0.457 8.942 ( -1.927 0.966 5.842) 6.227 10.163 ( -0.399 0.160 0.375) 0.571 10.394 ( 0.010 -0.491 -0.662) 0.825 10.928 ( 0.804 1.581 -3.987) 4.364 11.510 ( 1.806 -0.092 -3.539) 3.974 ======================= Grid point 73 (26/165) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -4.324 0.003 0.531) 4.356 0.939 ( -5.967 1.562 1.725) 6.405 1.036 ( -0.527 0.623 3.087) 3.193 1.182 ( -0.098 0.152 2.677) 2.683 1.318 ( -0.174 -1.723 5.361) 5.634 1.543 ( -4.958 0.546 18.630) 19.286 1.671 ( -11.545 8.131 -1.764) 14.231 1.854 ( 9.979 -7.140 1.293) 12.339 2.070 ( -0.462 -0.790 -0.666) 1.132 2.491 ( -4.289 0.088 7.402) 8.555 3.090 ( 2.050 1.754 -5.891) 6.479 3.247 ( 3.981 0.002 -9.100) 9.933 4.021 ( 1.944 0.588 -3.128) 3.729 4.596 ( -0.214 0.224 2.389) 2.409 4.847 ( -0.419 -0.892 0.042) 0.987 6.264 ( 5.594 -0.102 -14.034) 15.108 8.354 ( -0.990 -0.737 1.980) 2.333 8.454 ( -4.905 -1.036 11.850) 12.867 8.478 ( -2.820 -0.770 9.034) 9.495 8.942 ( -1.811 1.048 5.954) 6.311 10.160 ( -0.224 -0.015 0.425) 0.481 10.405 ( 1.798 1.185 0.338) 2.180 10.902 ( 0.449 -0.599 -4.702) 4.762 11.504 ( 0.902 0.146 -4.447) 4.540 ======================= Grid point 74 (27/165) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -8.724 1.653 0.758) 8.911 0.797 ( -9.816 3.869 7.433) 12.906 1.029 ( -2.118 2.123 3.021) 4.257 1.211 ( 0.561 -0.228 1.650) 1.757 1.324 ( -11.284 10.685 -1.800) 15.644 1.393 ( -0.231 -0.738 7.531) 7.571 1.623 ( -4.606 -1.814 18.249) 18.909 2.046 ( 1.814 1.797 -1.268) 2.851 2.059 ( 4.083 -6.557 -4.420) 8.900 2.459 ( -5.340 -0.383 7.154) 8.935 3.070 ( 2.849 1.229 -6.144) 6.883 3.254 ( 4.285 -0.040 -8.384) 9.415 4.027 ( 2.170 0.626 -2.945) 3.711 4.611 ( 0.465 0.916 2.520) 2.722 4.840 ( -1.325 -0.609 -0.274) 1.483 6.254 ( 5.419 0.144 -14.165) 15.167 8.362 ( -0.738 -0.910 1.688) 2.054 8.460 ( -0.475 -0.437 0.982) 1.175 8.558 ( -5.723 -4.069 27.279) 28.168 8.944 ( -1.901 0.916 6.012) 6.371 10.162 ( -0.021 -0.110 0.365) 0.382 10.429 ( 2.515 2.296 0.656) 3.468 10.889 ( 0.827 -1.877 -5.652) 6.013 11.475 ( 0.169 0.229 -5.204) 5.211 ======================= Grid point 75 (28/165) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -9.916 3.886 2.746) 10.999 0.644 ( -10.841 5.361 9.674) 15.487 0.899 ( -13.055 7.648 5.226) 16.007 1.031 ( -5.536 7.258 6.670) 11.305 1.276 ( 1.163 -1.328 1.344) 2.219 1.470 ( 1.377 -0.618 7.526) 7.675 1.678 ( -5.410 -2.429 13.641) 14.874 1.989 ( -3.454 0.679 -1.880) 3.991 2.148 ( 4.956 -1.939 -9.401) 10.803 2.437 ( -4.288 -0.963 7.383) 8.592 3.076 ( 3.797 0.116 -6.409) 7.450 3.269 ( 4.224 0.135 -7.539) 8.643 4.039 ( 2.399 0.579 -2.794) 3.728 4.626 ( 0.556 1.506 2.358) 2.853 4.806 ( -2.410 -0.138 -1.993) 3.130 6.241 ( 5.372 0.188 -13.930) 14.931 8.370 ( -0.500 -0.685 0.979) 1.295 8.466 ( 0.109 -0.383 0.413) 0.574 8.814 ( -1.706 -11.830 42.931) 44.563 8.951 ( -2.134 -0.082 9.914) 10.141 10.166 ( 0.027 -0.079 0.457) 0.465 10.442 ( 0.623 1.061 -0.351) 1.280 10.881 ( 2.245 0.129 -7.572) 7.899 11.434 ( -0.150 0.105 -5.342) 5.345 ======================= Grid point 76 (29/165) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( -9.293 5.994 6.725) 12.943 0.390 ( -12.789 10.981 3.477) 17.211 0.742 ( -12.374 2.355 27.780) 30.502 0.954 ( -2.681 3.908 4.252) 6.367 1.305 ( -0.221 -1.221 0.413) 1.307 1.574 ( 5.024 0.200 7.388) 8.937 1.688 ( -6.009 -2.989 8.566) 10.883 1.905 ( -6.168 -4.088 -0.890) 7.453 2.109 ( -0.031 6.786 -8.831) 11.137 2.432 ( -3.743 -0.610 7.464) 8.373 3.090 ( 3.607 -0.250 -7.603) 8.419 3.280 ( 3.690 0.506 -7.342) 8.232 4.052 ( 2.078 0.534 -2.943) 3.642 4.631 ( 0.297 2.149 2.080) 3.006 4.723 ( -4.351 0.820 -3.147) 5.432 6.235 ( 5.680 -0.015 -13.279) 14.443 8.373 ( -0.293 -0.305 0.439) 0.610 8.476 ( 0.159 -0.224 0.451) 0.528 8.931 ( -2.271 0.003 5.316) 5.781 9.636 ( 19.745 -42.096 58.408) 74.655 10.179 ( 0.407 -1.295 3.344) 3.609 10.407 ( -5.895 -3.580 -3.762) 7.856 10.803 ( 2.870 13.581 -11.164) 17.813 11.403 ( 0.817 -0.393 -4.066) 4.166 ======================= Grid point 78 (30/165) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 9.508 -0.000 7.848) 12.328 0.760 ( 6.611 -0.000 10.931) 12.774 0.945 ( 0.402 -0.000 1.899) 1.941 1.093 ( 8.755 -0.000 16.109) 18.334 1.246 ( -0.900 0.000 0.228) 0.928 1.444 ( -3.125 0.000 -6.221) 6.962 1.638 ( -14.188 0.000 20.769) 25.152 1.988 ( -0.289 0.000 0.146) 0.323 2.122 ( 2.953 -0.000 -8.584) 9.078 2.459 ( -1.606 0.000 8.279) 8.433 3.130 ( 1.631 -0.000 -3.213) 3.603 3.265 ( 2.899 -0.000 -8.613) 9.088 4.026 ( 1.699 -0.000 -4.041) 4.384 4.590 ( -1.563 0.000 1.987) 2.528 4.792 ( 2.028 -0.000 -0.874) 2.209 6.255 ( 5.819 -0.000 -13.007) 14.249 8.359 ( -1.063 0.000 0.892) 1.388 8.477 ( -0.394 0.000 0.433) 0.586 8.580 ( -22.287 0.000 25.340) 33.747 8.948 ( -1.907 0.000 5.879) 6.181 10.171 ( -0.241 0.000 0.237) 0.338 10.393 ( -0.729 0.000 -1.419) 1.595 11.010 ( -0.522 0.000 -4.614) 4.643 11.481 ( 3.051 -0.000 -2.366) 3.861 ======================= Grid point 79 (31/165) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 7.170 1.531 4.814) 8.771 0.928 ( 4.267 -0.490 5.426) 6.920 0.993 ( 3.084 -1.465 2.969) 4.525 1.227 ( -1.059 1.746 1.701) 2.658 1.284 ( -2.570 -1.780 -1.252) 3.368 1.419 ( 8.023 -3.085 3.128) 9.147 1.567 ( -12.139 0.318 24.641) 27.470 1.967 ( -2.630 -0.147 -1.978) 3.294 2.072 ( -1.270 1.021 -4.736) 5.009 2.491 ( -2.014 0.079 8.175) 8.420 3.134 ( 1.841 0.664 -3.219) 3.768 3.252 ( 3.327 0.010 -9.166) 9.751 4.029 ( 2.065 0.424 -3.340) 3.950 4.588 ( -0.618 -0.045 2.339) 2.420 4.813 ( 0.836 -0.750 -0.858) 1.414 6.258 ( 5.734 -0.279 -13.473) 14.645 8.348 ( -1.253 -0.110 1.475) 1.938 8.458 ( -12.190 0.005 19.528) 23.020 8.472 ( -0.427 -0.036 0.212) 0.478 8.957 ( -2.095 0.377 6.281) 6.632 10.166 ( -0.546 0.048 0.300) 0.624 10.396 ( 1.831 0.313 0.048) 1.858 10.951 ( -1.645 0.585 -4.806) 5.113 11.506 ( 2.029 -0.175 -3.170) 3.768 ======================= Grid point 80 (32/165) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.792 4.048 0.294) 4.135 0.975 ( -0.923 1.581 0.811) 2.003 1.068 ( 2.443 1.852 1.898) 3.606 1.192 ( -2.146 0.869 3.797) 4.447 1.269 ( 0.595 -2.660 1.363) 3.047 1.528 ( -7.571 -1.721 21.075) 22.460 1.701 ( 7.710 -5.879 5.559) 11.177 1.832 ( -6.937 6.233 -3.004) 9.797 2.039 ( -0.800 -2.157 -1.775) 2.906 2.494 ( -4.241 0.174 7.255) 8.405 3.124 ( 1.667 1.336 -4.822) 5.274 3.247 ( 3.904 -0.006 -9.157) 9.955 4.039 ( 2.390 0.906 -2.599) 3.645 4.604 ( 0.535 0.429 2.694) 2.779 4.824 ( -0.162 -1.190 -0.718) 1.399 6.259 ( 5.661 -0.304 -13.950) 15.058 8.341 ( -1.398 -0.492 2.065) 2.542 8.431 ( -7.611 -0.935 17.129) 18.767 8.468 ( -0.710 -0.278 1.024) 1.277 8.961 ( -2.245 0.652 6.551) 6.956 10.159 ( -0.446 -0.065 0.376) 0.587 10.444 ( 4.461 2.136 1.284) 5.110 10.883 ( -2.321 -1.112 -5.025) 5.645 11.505 ( 0.838 -0.018 -4.220) 4.303 ======================= Grid point 81 (33/165) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -5.078 5.266 1.165) 7.407 0.901 ( -4.387 5.848 3.674) 8.182 1.087 ( 0.327 2.606 2.956) 3.954 1.190 ( -0.102 -1.168 0.599) 1.316 1.355 ( 3.522 -1.492 3.786) 5.382 1.566 ( -12.226 6.208 11.282) 17.756 1.593 ( -4.611 3.141 10.016) 11.465 1.905 ( 4.422 -7.668 -2.165) 9.113 2.048 ( 1.418 -1.755 -1.937) 2.973 2.454 ( -6.067 -0.126 6.775) 9.095 3.098 ( 1.894 1.337 -6.222) 6.639 3.252 ( 4.228 -0.112 -8.519) 9.511 4.052 ( 2.791 1.602 -2.138) 3.864 4.632 ( 1.192 0.992 2.672) 3.090 4.820 ( -1.283 -1.242 -0.533) 1.864 6.254 ( 5.478 -0.199 -14.275) 15.291 8.342 ( -0.958 -0.897 1.862) 2.278 8.448 ( -2.440 -0.760 6.442) 6.931 8.486 ( -4.706 -2.481 15.328) 16.225 8.962 ( -2.429 0.696 6.487) 6.962 10.159 ( -0.115 -0.189 0.408) 0.464 10.501 ( 4.435 4.406 1.176) 6.361 10.838 ( -0.748 -2.988 -4.597) 5.534 11.476 ( -0.181 -0.103 -5.195) 5.200 ======================= Grid point 82 (34/165) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -6.213 6.483 5.023) 10.289 0.776 ( -6.307 7.530 7.373) 12.281 1.043 ( -2.287 5.934 0.164) 6.362 1.214 ( -0.739 -0.391 1.005) 1.307 1.283 ( -8.714 11.207 5.534) 15.237 1.463 ( 3.757 0.064 5.630) 6.768 1.634 ( -6.684 -1.968 16.700) 18.095 1.939 ( -4.533 -4.687 -3.642) 7.468 2.116 ( 6.407 -1.901 -5.635) 8.742 2.411 ( -5.350 -1.351 7.183) 9.058 3.081 ( 2.774 0.328 -6.880) 7.426 3.268 ( 4.195 -0.224 -7.495) 8.592 4.069 ( 3.251 2.179 -2.042) 4.414 4.657 ( 1.147 1.430 2.234) 2.890 4.796 ( -2.323 -0.863 -0.758) 2.591 6.242 ( 5.293 -0.099 -14.223) 15.177 8.352 ( -0.433 -0.958 1.153) 1.560 8.456 ( -0.302 -0.526 1.140) 1.291 8.598 ( -7.376 -7.824 30.340) 32.189 8.957 ( -2.802 0.475 6.298) 6.909 10.163 ( 0.055 -0.156 0.410) 0.442 10.495 ( -0.302 3.779 -0.872) 3.890 10.869 ( 4.810 -1.313 -3.375) 6.021 11.429 ( -0.925 -0.502 -5.742) 5.837 ======================= Grid point 83 (35/165) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -6.032 8.723 6.015) 12.193 0.643 ( -5.916 9.892 8.060) 14.065 0.888 ( -5.642 11.935 8.372) 15.632 1.093 ( -4.593 9.134 9.267) 13.799 1.256 ( -0.946 -3.323 0.439) 3.483 1.580 ( 5.834 0.267 4.627) 7.451 1.635 ( -7.896 -1.568 12.998) 15.290 1.839 ( -8.151 -2.711 -2.010) 8.822 2.187 ( 6.188 0.324 -7.869) 10.016 2.405 ( -3.988 -1.975 7.350) 8.592 3.081 ( 3.273 -0.515 -7.705) 8.388 3.286 ( 3.635 -0.079 -6.874) 7.776 4.081 ( 2.671 2.249 -2.857) 4.512 4.674 ( 1.168 1.601 1.774) 2.660 4.744 ( -2.957 0.747 -1.608) 3.448 6.234 ( 5.542 -0.124 -13.470) 14.566 8.362 ( -0.225 -0.730 0.606) 0.975 8.467 ( -0.012 -0.554 0.874) 1.035 8.858 ( -9.563 -18.678 37.992) 43.401 8.960 ( -5.289 -4.493 13.218) 14.929 10.169 ( -0.067 -0.171 0.572) 0.601 10.422 ( -2.197 2.749 -1.312) 3.755 10.941 ( 6.711 2.385 -5.445) 8.965 11.387 ( 0.052 -1.151 -4.466) 4.612 ======================= Grid point 84 (36/165) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -0.899 9.344 9.445) 13.316 0.512 ( 1.696 14.405 7.669) 16.407 0.809 ( -5.918 6.467 22.409) 24.063 1.009 ( -2.539 6.961 6.320) 9.739 1.277 ( -0.219 -2.085 -0.864) 2.267 1.568 ( -5.316 -1.821 -1.036) 5.714 1.702 ( -7.169 -4.476 15.767) 17.890 1.810 ( 7.093 -1.462 2.651) 7.712 2.173 ( 2.944 5.873 -9.156) 11.269 2.416 ( -3.225 -1.336 7.725) 8.478 3.094 ( 3.793 -0.968 -6.838) 7.879 3.287 ( 2.825 0.315 -7.328) 7.860 4.061 ( 0.322 1.417 -3.940) 4.200 4.665 ( -2.885 2.002 -0.042) 3.512 4.703 ( 3.396 2.356 0.846) 4.219 6.240 ( 6.211 -0.044 -12.933) 14.347 8.368 ( -0.277 -0.463 0.462) 0.710 8.477 ( -0.158 -0.357 0.701) 0.802 8.932 ( -2.287 -0.156 5.557) 6.011 9.169 ( -38.401 -35.732 39.483) 65.653 10.169 ( -0.363 -0.070 0.303) 0.478 10.411 ( 3.308 0.332 1.960) 3.860 10.953 ( 4.537 1.202 -7.088) 8.502 11.410 ( 3.803 -0.622 -2.369) 4.523 ======================= Grid point 87 (37/165) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 4.452 -0.000 1.129) 4.593 0.973 ( -1.327 0.000 -1.592) 2.073 1.106 ( 5.956 -0.000 3.910) 7.125 1.183 ( -4.351 0.000 -0.281) 4.360 1.250 ( 1.401 -0.000 2.110) 2.533 1.494 ( -5.319 0.000 16.031) 16.891 1.640 ( 2.855 -0.000 13.210) 13.515 1.913 ( -3.152 0.000 -1.265) 3.397 2.001 ( -3.066 0.000 -3.698) 4.804 2.496 ( -4.187 0.000 7.145) 8.281 3.139 ( 1.461 -0.000 -4.331) 4.571 3.247 ( 3.877 -0.000 -9.208) 9.991 4.050 ( 2.607 -0.000 -2.422) 3.558 4.609 ( 0.783 -0.000 2.962) 3.064 4.809 ( 0.016 -0.000 -1.211) 1.211 6.255 ( 5.673 -0.000 -13.810) 14.930 8.335 ( -1.680 0.000 2.267) 2.822 8.421 ( -7.872 0.000 16.942) 18.682 8.465 ( -0.497 0.000 -0.016) 0.498 8.968 ( -2.412 0.000 6.755) 7.172 10.158 ( -0.537 0.000 0.348) 0.640 10.471 ( 5.816 -0.000 1.663) 6.049 10.868 ( -3.782 0.000 -5.182) 6.416 11.504 ( 0.810 -0.000 -4.103) 4.182 ======================= Grid point 88 (38/165) ======================= q-point: (-0.62 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -4.986 4.058 1.753) 6.663 1.005 ( 2.448 2.402 0.918) 3.550 1.102 ( -2.261 0.669 -0.247) 2.371 1.178 ( -1.067 -1.323 0.629) 1.812 1.348 ( 7.235 1.199 3.085) 7.956 1.535 ( -8.592 -2.095 24.120) 25.690 1.765 ( 1.274 -0.698 0.909) 1.713 1.797 ( -2.921 5.051 -0.621) 5.867 1.975 ( -0.273 -4.826 -2.395) 5.394 2.453 ( -6.483 0.013 6.448) 9.144 3.119 ( 1.173 0.586 -6.174) 6.311 3.250 ( 4.148 -0.068 -8.697) 9.636 4.082 ( 3.400 0.892 -1.695) 3.902 4.649 ( 1.453 0.565 3.078) 3.450 4.796 ( -1.081 -0.822 -1.196) 1.810 6.249 ( 5.463 -0.149 -14.091) 15.114 8.328 ( -1.384 -0.413 2.459) 2.852 8.431 ( -5.922 -0.615 16.558) 17.596 8.458 ( -0.868 -0.459 1.205) 1.555 8.972 ( -2.747 0.264 6.769) 7.310 10.155 ( -0.171 -0.101 0.427) 0.471 10.593 ( 7.584 3.580 1.891) 8.596 10.772 ( -3.622 -2.806 -4.523) 6.438 11.473 ( -0.556 -0.103 -5.078) 5.110 ======================= Grid point 89 (39/165) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -5.668 5.731 6.646) 10.447 0.938 ( -3.577 7.266 2.566) 8.495 1.119 ( 0.908 -1.241 1.705) 2.296 1.163 ( -0.666 -0.178 -1.523) 1.672 1.469 ( 5.647 1.641 3.225) 6.707 1.553 ( -8.385 6.829 14.773) 18.309 1.610 ( -5.471 3.963 8.472) 10.835 1.834 ( -1.583 -4.731 -2.394) 5.533 2.039 ( 3.604 -5.638 -3.978) 7.784 2.388 ( -6.730 -0.775 6.921) 9.684 3.087 ( 1.688 0.286 -7.310) 7.508 3.262 ( 4.063 -0.272 -7.801) 8.800 4.118 ( 4.004 2.114 -1.732) 4.848 4.684 ( 1.166 1.106 2.420) 2.906 4.773 ( -2.048 -1.253 -0.592) 2.473 6.239 ( 5.238 -0.174 -14.068) 15.012 8.333 ( -0.531 -0.755 1.644) 1.885 8.447 ( -1.151 -0.248 3.087) 3.304 8.488 ( -6.439 -3.155 19.482) 20.760 8.967 ( -3.067 0.358 6.219) 6.943 10.160 ( 0.120 -0.149 0.441) 0.480 10.582 ( -2.102 4.106 -2.151) 5.090 10.830 ( 7.454 -2.163 -0.455) 7.775 11.417 ( -1.718 -0.525 -5.690) 5.966 ======================= Grid point 90 (40/165) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -4.985 7.403 8.141) 12.081 0.820 ( -4.666 7.835 7.012) 11.504 1.113 ( 2.159 7.649 -0.678) 7.977 1.171 ( -1.111 -4.583 0.357) 4.730 1.349 ( -6.009 14.837 7.938) 17.868 1.579 ( 3.191 -0.376 2.920) 4.341 1.614 ( -5.909 -0.706 16.450) 17.493 1.789 ( -5.186 -1.985 -2.345) 6.028 2.135 ( 4.786 -5.137 -6.021) 9.249 2.359 ( -4.736 -2.191 7.809) 9.392 3.071 ( 2.676 -0.460 -7.829) 8.287 3.278 ( 3.570 -0.503 -6.907) 7.791 4.137 ( 2.979 2.838 -3.027) 5.108 4.700 ( 0.579 1.027 1.477) 1.890 4.746 ( -1.978 -0.464 0.413) 2.073 6.230 ( 5.495 -0.162 -13.501) 14.578 8.345 ( -0.139 -0.764 0.921) 1.205 8.455 ( -0.360 -0.522 1.591) 1.713 8.577 ( -10.325 -7.693 28.222) 31.020 8.951 ( -3.227 0.277 5.425) 6.318 10.166 ( 0.031 -0.107 0.381) 0.397 10.489 ( -1.806 3.287 -1.377) 3.995 10.963 ( 6.635 0.258 -2.922) 7.254 11.360 ( -0.782 -1.295 -4.607) 4.850 ======================= Grid point 91 (41/165) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -0.760 9.150 8.614) 12.590 0.730 ( -3.488 7.897 10.715) 13.761 1.053 ( 3.171 12.844 2.477) 13.459 1.182 ( -5.262 8.451 9.762) 13.943 1.215 ( 0.742 -1.446 0.469) 1.692 1.553 ( -7.193 0.410 3.640) 8.072 1.656 ( -6.772 -1.445 11.289) 13.244 1.775 ( 5.566 -1.668 1.986) 6.141 2.196 ( 2.614 -2.730 -7.769) 8.640 2.378 ( -2.946 -2.207 8.322) 9.099 3.073 ( 3.378 -0.890 -7.423) 8.203 3.287 ( 2.779 -0.300 -6.994) 7.532 4.106 ( 0.007 2.642 -4.517) 5.233 4.692 ( -1.819 1.079 0.707) 2.231 4.741 ( 1.649 0.857 1.199) 2.212 6.237 ( 6.352 -0.198 -12.931) 14.408 8.356 ( -0.224 -0.618 0.752) 0.999 8.467 ( -0.302 -0.559 1.375) 1.515 8.681 ( -17.992 -13.090 33.187) 39.955 8.935 ( -2.827 0.008 4.862) 5.624 10.167 ( -0.206 -0.089 0.239) 0.328 10.455 ( 2.005 3.099 0.768) 3.770 10.965 ( -0.802 0.226 -7.184) 7.232 11.385 ( 4.320 -1.579 -1.871) 4.965 ======================= Grid point 92 (42/165) ======================= q-point: (-0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 3.751 8.781 8.241) 12.613 0.716 ( 0.475 5.954 13.312) 14.591 1.027 ( 5.324 11.366 6.532) 14.149 1.086 ( -3.000 8.136 9.065) 12.545 1.247 ( 0.128 -1.476 -1.145) 1.873 1.459 ( -4.644 -1.887 0.069) 5.014 1.640 ( -9.657 -2.228 17.675) 20.264 1.939 ( 7.413 -3.275 0.458) 8.117 2.156 ( -0.756 0.828 -8.987) 9.057 2.416 ( -1.989 -1.170 8.454) 8.763 3.094 ( 3.068 -1.322 -5.685) 6.594 3.279 ( 2.597 0.021 -7.798) 8.220 4.043 ( -0.311 1.326 -4.081) 4.302 4.644 ( -2.499 1.553 0.891) 3.075 4.780 ( 2.699 1.088 0.506) 2.954 6.255 ( 6.538 0.089 -13.216) 14.745 8.361 ( -0.543 -0.393 0.885) 1.110 8.474 ( -0.425 -0.342 1.070) 1.202 8.671 ( -23.974 -9.311 30.067) 39.566 8.931 ( -2.137 -0.427 5.131) 5.575 10.168 ( -0.094 -0.170 0.217) 0.292 10.458 ( -0.009 2.600 -0.811) 2.723 10.923 ( 0.916 -3.493 -4.435) 5.719 11.459 ( 3.973 -0.363 -2.429) 4.671 ======================= Grid point 96 (43/165) ======================= q-point: (-0.62 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -5.783 0.000 7.312) 9.322 1.032 ( -4.719 0.000 0.486) 4.744 1.073 ( 1.143 -0.000 0.457) 1.231 1.167 ( 2.094 -0.000 -1.356) 2.495 1.504 ( 6.874 -0.000 1.698) 7.080 1.545 ( -9.426 0.000 24.273) 26.039 1.773 ( -0.175 0.000 -0.342) 0.384 1.776 ( -3.509 0.000 -0.521) 3.547 1.927 ( 1.686 -0.000 -3.378) 3.775 2.380 ( -7.313 0.000 6.769) 9.964 3.091 ( 1.215 -0.000 -7.480) 7.578 3.259 ( 4.027 -0.000 -8.002) 8.959 4.142 ( 4.273 -0.000 -1.634) 4.575 4.698 ( 1.104 -0.000 2.919) 3.121 4.756 ( -1.877 0.000 -1.097) 2.174 6.237 ( 5.236 -0.000 -13.947) 14.897 8.324 ( -0.650 0.000 2.051) 2.152 8.449 ( -0.410 0.000 0.390) 0.566 8.453 ( -6.633 0.000 19.215) 20.328 8.970 ( -3.171 0.000 6.302) 7.055 10.158 ( 0.156 -0.000 0.461) 0.487 10.634 ( -4.932 0.000 -3.801) 6.227 10.799 ( 10.528 -0.000 1.623) 10.653 11.411 ( -2.041 0.000 -5.610) 5.970 ======================= Grid point 98 (44/165) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -4.798 4.128 9.781) 11.650 0.952 ( -3.686 4.040 3.578) 6.535 1.078 ( -1.397 -3.471 -0.655) 3.799 1.209 ( 3.571 1.966 -0.562) 4.115 1.556 ( -7.357 0.195 19.591) 20.927 1.599 ( -0.011 -0.274 5.529) 5.536 1.658 ( -0.943 10.934 -0.667) 10.994 1.763 ( -1.013 -0.487 -1.769) 2.096 1.989 ( 2.600 -7.861 -3.912) 9.158 2.324 ( -5.656 -0.948 8.101) 9.925 3.064 ( 2.280 -0.168 -7.776) 8.105 3.270 ( 3.613 -0.264 -7.386) 8.227 4.184 ( 3.023 1.343 -3.163) 4.577 4.718 ( -0.178 0.680 1.161) 1.357 4.732 ( -1.043 -0.720 1.312) 1.824 6.228 ( 5.494 -0.072 -13.488) 14.564 8.333 ( -0.083 -0.341 1.303) 1.349 8.449 ( -0.486 -0.063 1.654) 1.725 8.485 ( -8.168 -1.980 21.056) 22.671 8.956 ( -3.346 0.144 5.381) 6.339 10.164 ( 0.091 -0.048 0.366) 0.381 10.543 ( -2.060 1.483 -1.774) 3.097 10.963 ( 7.126 -0.079 -1.611) 7.306 11.339 ( -1.427 -0.583 -4.644) 4.893 ======================= Grid point 99 (45/165) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.422 6.856 10.304) 12.458 0.882 ( -2.099 6.344 6.047) 9.012 1.103 ( -0.207 -4.711 -0.538) 4.746 1.224 ( 1.059 3.710 2.025) 4.358 1.487 ( -0.836 14.796 3.428) 15.211 1.561 ( -8.270 -0.213 14.385) 16.595 1.632 ( -4.244 -0.203 4.427) 6.136 1.752 ( 2.652 -0.427 0.001) 2.687 2.085 ( 2.179 -7.520 -4.914) 9.243 2.333 ( -2.679 -1.880 9.114) 9.684 3.061 ( 3.441 -0.336 -7.482) 8.242 3.277 ( 3.040 -0.512 -7.289) 7.914 4.159 ( -0.221 2.184 -4.956) 5.421 4.713 ( -1.253 0.888 1.181) 1.937 4.743 ( 0.929 -0.428 1.989) 2.237 6.233 ( 6.272 -0.192 -13.004) 14.439 8.345 ( -0.088 -0.411 1.056) 1.137 8.457 ( -0.586 -0.333 2.255) 2.353 8.518 ( -10.709 -4.144 22.934) 25.648 8.936 ( -3.100 0.064 4.591) 5.540 10.166 ( -0.241 -0.077 0.212) 0.330 10.518 ( 2.120 2.536 0.355) 3.325 10.967 ( -2.716 0.029 -6.606) 7.142 11.353 ( 4.499 -1.308 -1.734) 4.996 ======================= Grid point 100 (46/165) ======================= q-point: (-0.25 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.621 7.409 9.884) 12.458 0.848 ( 0.369 7.113 8.329) 10.959 1.151 ( 1.155 -3.051 -0.795) 3.358 1.194 ( -2.767 3.841 3.549) 5.917 1.385 ( 4.139 14.692 5.199) 16.125 1.464 ( -6.848 2.267 1.616) 7.393 1.597 ( -9.788 -1.941 16.829) 19.565 1.857 ( 5.073 -4.409 -0.042) 6.721 2.122 ( -0.585 -3.994 -5.805) 7.071 2.388 ( -1.066 -1.335 9.333) 9.488 3.074 ( 3.593 -0.512 -6.715) 7.633 3.275 ( 2.696 -0.367 -7.934) 8.387 4.082 ( -1.247 2.095 -4.801) 5.385 4.674 ( -2.588 1.339 0.992) 3.078 4.790 ( 2.095 -0.069 1.666) 2.677 6.252 ( 6.687 -0.276 -13.128) 14.736 8.353 ( -0.348 -0.294 1.302) 1.379 8.466 ( -0.966 -0.436 2.660) 2.864 8.530 ( -12.845 -4.443 22.496) 26.283 8.922 ( -2.492 -0.392 4.482) 5.143 10.163 ( -0.295 -0.206 0.217) 0.420 10.532 ( 1.534 4.170 -0.298) 4.453 10.864 ( -2.634 -2.484 -5.392) 6.495 11.441 ( 4.838 -1.123 -2.104) 5.394 ======================= Grid point 101 (47/165) ======================= q-point: (-0.12 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 2.836 7.295 6.763) 10.344 0.873 ( 1.914 4.407 10.227) 11.299 1.096 ( -3.932 5.425 1.734) 6.921 1.187 ( 0.130 -1.786 -0.290) 1.814 1.362 ( -3.082 0.948 2.096) 3.846 1.419 ( 7.597 9.229 6.349) 13.534 1.572 ( -11.053 -2.078 19.083) 22.151 1.966 ( 1.186 -6.578 -4.358) 7.979 2.077 ( -1.590 0.482 -3.182) 3.590 2.448 ( -1.001 -0.389 9.083) 9.146 3.092 ( 2.885 -0.955 -5.594) 6.366 3.264 ( 2.818 -0.161 -8.721) 9.166 4.026 ( 0.403 0.827 -3.885) 3.993 4.623 ( -2.550 1.207 1.235) 3.080 4.826 ( 1.362 0.604 0.783) 1.683 6.267 ( 6.202 0.045 -13.579) 14.928 8.357 ( -0.666 0.002 1.515) 1.655 8.470 ( -1.963 -0.418 4.185) 4.641 8.503 ( -11.589 -2.048 18.672) 22.071 8.925 ( -2.010 -0.890 5.033) 5.492 10.164 ( -0.263 -0.308 0.324) 0.518 10.455 ( -2.640 3.697 -2.288) 5.086 10.886 ( 2.633 -3.965 -2.685) 5.465 11.495 ( 2.954 -0.264 -3.032) 4.241 ======================= Grid point 106 (48/165) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -1.540 0.000 11.929) 12.028 0.959 ( -1.501 0.000 4.459) 4.705 1.033 ( -0.037 0.000 -1.827) 1.828 1.259 ( 0.758 0.000 -0.133) 0.769 1.553 ( -10.875 0.000 23.473) 25.870 1.614 ( -1.039 0.000 1.098) 1.512 1.721 ( 0.925 0.000 -1.710) 1.944 1.750 ( 0.392 0.000 -1.588) 1.636 1.950 ( 1.920 0.000 -2.533) 3.179 2.311 ( -2.603 0.000 9.589) 9.936 3.058 ( 3.537 0.000 -7.289) 8.102 3.271 ( 3.173 0.000 -7.620) 8.254 4.184 ( -0.324 0.000 -5.143) 5.153 4.726 ( -1.579 0.000 1.665) 2.294 4.733 ( 1.304 0.000 1.880) 2.288 6.231 ( 6.210 0.000 -13.056) 14.458 8.340 ( -0.001 0.000 1.187) 1.187 8.455 ( -0.093 -0.000 1.327) 1.331 8.476 ( -9.478 0.000 20.950) 22.994 8.936 ( -3.247 0.000 4.506) 5.554 10.165 ( -0.266 0.000 0.202) 0.333 10.546 ( 2.341 0.000 0.258) 2.356 10.967 ( -3.396 0.000 -6.362) 7.212 11.339 ( 4.574 0.000 -1.696) 4.879 ======================= Grid point 108 (49/165) ======================= q-point: (-0.38 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.030 5.009 10.785) 11.892 0.979 ( 2.972 4.263 4.232) 6.702 1.061 ( 1.100 -4.235 -0.071) 4.376 1.238 ( -2.703 0.376 0.928) 2.883 1.517 ( -10.279 1.535 14.560) 17.889 1.559 ( -7.363 0.617 6.303) 9.712 1.683 ( 3.168 10.468 1.842) 11.091 1.771 ( 1.319 -3.108 -0.381) 3.397 2.002 ( 0.755 -6.598 -2.833) 7.220 2.367 ( -0.156 -0.605 9.949) 9.969 3.070 ( 3.828 0.015 -7.049) 8.021 3.267 ( 2.999 -0.291 -8.289) 8.819 4.117 ( -1.712 1.019 -5.349) 5.708 4.696 ( -2.720 0.639 1.264) 3.067 4.784 ( 2.129 -0.337 2.150) 3.045 6.247 ( 6.620 -0.178 -13.039) 14.624 8.349 ( -0.182 -0.088 1.608) 1.621 8.460 ( -3.615 -0.035 8.203) 8.964 8.472 ( -6.386 -1.409 13.306) 14.826 8.916 ( -2.767 -0.151 4.046) 4.904 10.160 ( -0.426 -0.093 0.205) 0.482 10.609 ( 4.685 2.560 0.771) 5.394 10.819 ( -6.913 -1.569 -6.607) 9.690 11.421 ( 5.337 -0.558 -1.962) 5.714 ======================= Grid point 109 (50/165) ======================= q-point: (-0.25 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 1.493 5.273 7.599) 9.369 0.999 ( 1.857 6.946 4.990) 8.752 1.129 ( 1.279 -3.231 0.180) 3.479 1.191 ( -2.646 2.259 0.977) 3.614 1.373 ( -7.856 2.181 2.123) 8.425 1.503 ( -12.074 -2.341 19.739) 23.258 1.672 ( 6.278 10.739 4.308) 13.164 1.819 ( -1.855 -6.863 -2.877) 7.669 2.046 ( 0.269 -3.483 -1.267) 3.716 2.441 ( -0.280 -0.244 9.358) 9.365 3.080 ( 3.090 -0.293 -6.982) 7.641 3.259 ( 3.097 -0.259 -9.000) 9.521 4.049 ( -0.489 1.086 -4.513) 4.668 4.646 ( -3.013 0.956 1.307) 3.421 4.830 ( 1.362 -0.125 1.515) 2.041 6.264 ( 6.292 -0.245 -13.385) 14.792 8.358 ( -0.395 0.096 1.985) 2.026 8.457 ( -7.630 -0.771 16.537) 18.228 8.476 ( -2.181 -0.620 4.330) 4.888 8.909 ( -2.083 -0.638 4.241) 4.768 10.158 ( -0.293 -0.242 0.356) 0.521 10.550 ( -4.306 4.995 -3.462) 7.448 10.802 ( 3.483 -4.174 -1.644) 5.679 11.485 ( 3.526 -0.512 -3.028) 4.676 ======================= Grid point 110 (51/165) ======================= q-point: (-0.12 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -2.204 5.587 4.210) 7.335 0.990 ( -0.583 3.111 3.253) 4.539 1.081 ( -3.777 3.703 -0.726) 5.339 1.165 ( -0.550 -1.180 1.406) 1.916 1.311 ( -3.590 -0.545 6.468) 7.418 1.495 ( -8.163 -2.601 19.060) 20.897 1.738 ( 8.849 7.753 3.649) 12.318 1.785 ( -7.360 -7.206 -3.749) 10.961 2.072 ( 0.649 -0.422 0.133) 0.785 2.488 ( -2.073 0.009 8.374) 8.627 3.083 ( 2.304 -1.133 -6.472) 6.963 3.250 ( 3.502 -0.102 -9.315) 9.952 4.018 ( 1.165 0.318 -3.799) 3.986 4.604 ( -2.060 0.670 1.783) 2.805 4.852 ( 0.371 0.382 0.741) 0.912 6.269 ( 5.753 -0.062 -13.735) 14.891 8.360 ( -0.716 0.441 2.018) 2.186 8.458 ( -8.570 0.017 20.360) 22.090 8.473 ( -0.301 -0.052 0.253) 0.396 8.920 ( -1.656 -1.056 5.010) 5.381 10.159 ( -0.200 -0.219 0.447) 0.536 10.424 ( -2.589 2.284 -1.913) 3.947 10.888 ( 3.426 -2.202 -2.863) 4.979 11.509 ( 1.900 -0.214 -3.827) 4.278 ======================= Grid point 116 (52/165) ======================= q-point: ( 0.62 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.814 -0.000 6.822) 6.870 1.054 ( 0.699 -0.000 1.192) 1.382 1.125 ( 6.793 -0.000 3.551) 7.665 1.180 ( -3.701 0.000 0.157) 3.704 1.435 ( -9.003 0.000 -1.004) 9.059 1.459 ( -14.072 0.000 22.732) 26.735 1.724 ( -3.539 0.000 -1.214) 3.741 1.832 ( 4.090 -0.000 2.806) 4.960 1.970 ( 2.131 -0.000 -0.198) 2.140 2.439 ( 0.077 -0.000 9.413) 9.413 3.077 ( 3.004 -0.000 -7.440) 8.023 3.256 ( 3.321 -0.000 -9.167) 9.750 4.061 ( -0.826 0.000 -4.832) 4.903 4.657 ( -3.214 0.000 1.407) 3.509 4.828 ( 1.447 -0.000 1.731) 2.256 6.261 ( 6.290 -0.000 -13.253) 14.670 8.359 ( -0.291 0.000 2.217) 2.236 8.448 ( -8.501 0.000 19.234) 21.029 8.470 ( -0.101 0.000 0.845) 0.851 8.902 ( -2.127 0.000 3.888) 4.432 10.155 ( -0.309 0.000 0.372) 0.484 10.625 ( -7.842 0.000 -5.511) 9.584 10.737 ( 6.622 -0.000 0.336) 6.630 11.479 ( 3.784 -0.000 -3.006) 4.832 ======================= Grid point 118 (53/165) ======================= q-point: (-0.25 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -2.036 2.759 1.781) 3.864 1.039 ( -5.042 1.437 2.056) 5.632 1.143 ( 0.206 0.096 0.519) 0.567 1.204 ( -3.768 6.177 0.331) 7.244 1.288 ( -2.557 -1.769 5.315) 6.158 1.426 ( -8.589 -3.652 17.825) 20.121 1.639 ( -9.127 -4.461 1.673) 10.295 1.888 ( 4.958 4.933 2.853) 7.554 2.043 ( 2.869 -1.980 0.752) 3.566 2.488 ( -1.963 0.034 8.257) 8.487 3.067 ( 2.169 -0.406 -7.628) 7.941 3.248 ( 3.711 -0.053 -9.447) 10.150 4.026 ( 0.776 0.311 -4.278) 4.359 4.615 ( -2.656 0.355 1.822) 3.240 4.854 ( 0.388 -0.036 1.118) 1.184 6.266 ( 5.685 -0.131 -13.478) 14.628 8.368 ( -0.531 0.231 2.313) 2.385 8.459 ( -7.265 0.012 20.622) 21.865 8.472 ( -0.220 -0.057 0.327) 0.399 8.903 ( -1.463 -0.467 4.247) 4.516 10.156 ( -0.070 -0.104 0.486) 0.502 10.472 ( -4.770 1.668 -3.093) 5.924 10.847 ( 5.383 -1.359 -1.820) 5.842 11.504 ( 2.096 -0.150 -3.937) 4.463 ======================= Grid point 119 (54/165) ======================= q-point: (-0.12 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -9.294 4.812 1.096) 10.523 0.908 ( -9.762 -1.300 2.203) 10.091 1.055 ( -4.572 1.909 3.049) 5.817 1.181 ( 1.519 0.221 1.486) 2.136 1.340 ( -0.134 0.484 8.176) 8.192 1.436 ( -8.361 -8.944 -2.686) 12.535 1.581 ( -6.938 -0.581 17.843) 19.153 1.960 ( 6.317 2.317 0.788) 6.774 2.087 ( 1.663 1.381 -0.665) 2.262 2.491 ( -4.195 0.058 7.401) 8.507 3.059 ( 2.301 -1.165 -6.811) 7.283 3.247 ( 4.062 0.001 -9.091) 9.957 4.017 ( 1.763 0.118 -3.803) 4.194 4.594 ( -1.174 0.002 2.302) 2.585 4.858 ( -0.477 0.200 0.476) 0.703 6.262 ( 5.380 -0.195 -13.750) 14.766 8.369 ( -0.771 0.611 2.175) 2.387 8.467 ( -0.842 0.268 1.494) 1.736 8.500 ( -5.758 1.076 22.222) 22.981 8.921 ( -1.337 -0.893 5.055) 5.305 10.160 ( 0.001 -0.040 0.437) 0.439 10.399 ( -0.622 0.443 -0.721) 1.050 10.906 ( 3.000 -0.162 -4.293) 5.240 11.499 ( 0.874 -0.235 -4.603) 4.691 ======================= Grid point 126 (55/165) ======================= q-point: (-0.25 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -10.786 0.000 2.602) 11.095 0.945 ( -10.450 0.000 2.144) 10.668 1.084 ( -7.697 0.000 2.446) 8.076 1.191 ( 1.919 -0.000 0.691) 2.039 1.304 ( -10.069 0.000 -5.009) 11.246 1.345 ( 0.418 -0.000 9.305) 9.315 1.579 ( -3.943 0.000 18.876) 19.283 1.973 ( 1.387 -0.000 1.653) 2.158 2.110 ( 5.137 -0.000 -1.368) 5.316 2.492 ( -4.107 0.000 7.369) 8.436 3.046 ( 2.372 -0.000 -7.145) 7.529 3.247 ( 4.097 -0.000 -9.094) 9.974 4.020 ( 1.825 -0.000 -4.131) 4.516 4.595 ( -1.647 0.000 2.305) 2.833 4.859 ( -0.445 0.000 0.589) 0.738 6.259 ( 5.212 -0.000 -13.516) 14.486 8.376 ( -0.699 0.000 2.283) 2.387 8.469 ( -0.193 0.000 0.027) 0.195 8.512 ( -5.796 0.000 25.023) 25.686 8.911 ( -1.139 0.000 4.516) 4.657 10.159 ( 0.092 -0.000 0.432) 0.442 10.408 ( -1.603 0.000 -1.198) 2.001 10.903 ( 4.140 -0.000 -4.060) 5.799 11.496 ( 0.805 -0.000 -4.650) 4.719 ======================= Grid point 127 (56/165) ======================= q-point: (-0.12 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -13.642 2.338 2.743) 14.110 0.744 ( -12.952 -1.266 7.488) 15.014 1.004 ( -4.600 -0.279 2.293) 5.148 1.093 ( -15.263 -7.411 -0.288) 16.969 1.239 ( 2.170 0.237 1.902) 2.896 1.412 ( 0.281 0.547 8.211) 8.234 1.658 ( -2.526 1.248 15.978) 16.224 1.995 ( -0.324 -2.089 -0.095) 2.116 2.158 ( 4.972 2.593 -5.915) 8.151 2.467 ( -4.765 0.247 7.348) 8.762 3.051 ( 3.509 -0.471 -5.962) 6.934 3.254 ( 4.220 -0.008 -8.363) 9.368 4.025 ( 2.198 0.154 -3.812) 4.403 4.596 ( -0.453 -0.439 2.553) 2.630 4.846 ( -1.185 0.104 -0.433) 1.266 6.249 ( 5.170 -0.222 -13.667) 14.614 8.376 ( -0.702 0.411 1.721) 1.903 8.466 ( -0.027 0.152 0.100) 0.185 8.633 ( -3.782 2.394 34.666) 34.954 8.927 ( -1.475 -0.595 5.118) 5.359 10.163 ( 0.059 0.023 0.314) 0.320 10.405 ( 1.401 -0.309 0.212) 1.450 10.915 ( 2.151 0.667 -6.750) 7.116 11.469 ( 0.058 -0.279 -5.023) 5.031 ======================= Grid point 135 (57/165) ======================= q-point: (-0.12 -0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -15.180 0.000 2.811) 15.438 0.562 ( -13.682 0.000 5.008) 14.570 0.804 ( -17.268 0.000 16.411) 23.822 0.961 ( -3.252 0.000 2.712) 4.235 1.290 ( 1.450 -0.000 1.983) 2.457 1.479 ( 0.554 -0.000 7.898) 7.917 1.716 ( -3.967 0.000 12.346) 12.968 1.958 ( -1.556 0.000 -0.524) 1.642 2.177 ( 2.465 -0.000 -11.742) 11.998 2.447 ( -4.178 0.000 7.604) 8.676 3.075 ( 4.246 -0.000 -6.195) 7.510 3.266 ( 4.014 -0.000 -7.701) 8.685 4.037 ( 2.250 -0.000 -3.569) 4.219 4.606 ( -0.246 0.000 2.559) 2.571 4.807 ( -2.456 0.000 -2.939) 3.830 6.238 ( 5.336 -0.000 -13.473) 14.491 8.377 ( -0.553 0.000 0.918) 1.072 8.471 ( 0.236 -0.000 0.236) 0.334 8.931 ( -1.986 0.000 5.042) 5.419 8.998 ( 8.530 -0.000 58.384) 59.003 10.167 ( 0.034 -0.000 0.548) 0.549 10.440 ( 2.320 -0.000 0.344) 2.346 10.874 ( -0.519 0.000 -11.485) 11.496 11.430 ( -0.016 0.000 -4.752) 4.752 ======================= Grid point 136 (58/165) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -0.723 0.000 13.313) 13.333 0.560 ( 2.201 -0.000 11.802) 12.005 0.989 ( -1.534 0.000 2.732) 3.133 1.184 ( -2.960 0.000 10.578) 10.985 1.271 ( -1.111 0.000 -1.349) 1.748 1.503 ( -4.344 0.000 -5.245) 6.811 1.861 ( 6.708 -0.000 1.320) 6.837 1.982 ( 0.532 -0.000 1.665) 1.748 2.331 ( -15.326 0.000 30.607) 34.229 2.648 ( -5.498 0.000 13.212) 14.310 2.913 ( 8.014 -0.000 -11.665) 14.153 3.062 ( 4.950 -0.000 -13.477) 14.357 3.939 ( 1.673 -0.000 -6.804) 7.006 4.672 ( -1.907 0.000 2.922) 3.490 4.717 ( 1.292 -0.000 1.959) 2.347 5.859 ( 10.684 -0.000 -23.738) 26.032 8.387 ( -0.263 0.000 1.119) 1.149 8.492 ( -0.146 0.000 0.521) 0.541 9.081 ( -3.272 0.000 8.698) 9.294 9.785 ( -24.350 0.000 -1.789) 24.415 10.199 ( -3.639 0.000 2.503) 4.417 10.425 ( -1.276 0.000 -2.161) 2.510 10.887 ( 6.609 -0.000 -1.182) 6.714 11.325 ( 4.591 -0.000 -5.424) 7.106 ======================= Grid point 137 (59/165) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 3.332 -3.220 11.723) 12.605 0.741 ( 7.186 -4.525 6.296) 10.571 0.995 ( -1.075 -1.943 2.332) 3.220 1.231 ( -0.577 -0.519 7.787) 7.826 1.252 ( 0.308 0.344 0.398) 0.609 1.403 ( -3.041 -0.853 -5.328) 6.194 1.953 ( 4.394 1.264 -2.346) 5.139 2.000 ( -0.077 -0.929 0.401) 1.015 2.288 ( -15.891 0.741 33.379) 36.976 2.660 ( -4.411 0.031 13.718) 14.410 2.956 ( 6.872 1.119 -10.499) 12.598 3.042 ( 4.612 -0.139 -14.551) 15.265 3.922 ( 2.061 -0.150 -6.654) 6.967 4.660 ( -2.297 -0.528 2.710) 3.592 4.765 ( 1.897 -1.096 1.080) 2.442 5.867 ( 10.545 -0.055 -23.880) 26.105 8.390 ( -0.581 0.033 1.592) 1.695 8.490 ( -0.420 0.005 0.409) 0.586 9.089 ( -3.169 0.508 8.849) 9.413 9.336 ( -27.301 3.918 14.556) 31.186 10.188 ( -0.771 -0.021 2.031) 2.173 10.391 ( -1.248 -0.767 -1.805) 2.324 10.907 ( 1.865 2.698 -5.004) 5.984 11.369 ( 4.565 -0.349 -5.270) 6.981 ======================= Grid point 138 (60/165) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 2.990 -3.157 8.433) 9.488 0.920 ( 4.141 -3.189 2.080) 5.625 1.022 ( -0.318 -2.654 1.266) 2.958 1.228 ( 0.093 2.131 -0.032) 2.134 1.293 ( -0.386 -2.740 -2.111) 3.480 1.410 ( 3.614 -4.627 4.504) 7.400 1.923 ( -1.950 3.718 -3.129) 5.236 2.022 ( 0.458 -1.984 0.510) 2.099 2.267 ( -14.807 1.028 34.325) 37.396 2.692 ( -4.007 -0.163 13.719) 14.293 2.967 ( 5.402 2.109 -10.399) 11.907 3.016 ( 4.879 -0.015 -14.634) 15.426 3.917 ( 2.844 0.134 -6.324) 6.935 4.648 ( -1.966 -0.443 2.720) 3.385 4.809 ( 0.929 -1.678 0.424) 1.965 5.871 ( 10.280 -0.172 -24.072) 26.176 8.391 ( -0.894 -0.190 2.017) 2.214 8.484 ( -0.526 0.016 0.132) 0.542 9.028 ( -16.926 2.510 19.039) 25.598 9.107 ( -5.388 0.443 11.021) 12.276 10.190 ( -0.921 0.006 2.216) 2.400 10.377 ( -0.150 -0.755 -0.928) 1.206 10.862 ( 1.020 2.251 -5.859) 6.359 11.399 ( 3.571 0.090 -5.982) 6.967 ======================= Grid point 139 (61/165) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -3.291 -1.747 1.700) 4.096 0.991 ( 0.584 -1.429 0.612) 1.660 1.062 ( 1.711 -0.672 3.779) 4.202 1.208 ( 0.176 1.897 -0.112) 1.908 1.307 ( 0.023 -3.726 -0.156) 3.729 1.611 ( 7.462 -7.059 2.131) 10.490 1.793 ( -4.768 6.078 -1.598) 7.889 2.049 ( -0.123 -2.149 -0.337) 2.179 2.252 ( -15.556 1.130 35.379) 38.664 2.712 ( -5.296 -0.158 12.407) 13.491 2.949 ( 4.281 2.411 -10.649) 11.728 2.999 ( 5.744 0.226 -14.093) 15.220 3.921 ( 3.400 0.690 -6.048) 6.972 4.645 ( -1.094 -0.132 2.861) 3.066 4.838 ( 0.071 -1.708 0.217) 1.723 5.870 ( 10.022 -0.241 -24.135) 26.134 8.393 ( -1.093 -0.563 2.147) 2.474 8.474 ( -0.511 0.035 -0.137) 0.531 8.926 ( -11.604 -0.664 22.580) 25.396 9.105 ( -3.420 1.046 9.960) 10.583 10.189 ( -1.234 -0.061 2.615) 2.892 10.387 ( 1.536 0.491 0.044) 1.613 10.817 ( 0.698 0.653 -6.303) 6.375 11.400 ( 2.451 0.466 -7.015) 7.446 ======================= Grid point 140 (62/165) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -5.589 -0.257 -0.319) 5.604 0.976 ( -3.119 0.845 1.345) 3.501 1.115 ( -0.481 0.524 3.897) 3.962 1.199 ( 0.532 -0.540 0.111) 0.766 1.378 ( 2.532 -2.872 2.663) 4.663 1.588 ( -6.323 8.941 -0.764) 10.978 1.824 ( 5.926 -6.709 -1.764) 9.124 2.053 ( -1.191 -1.293 -0.732) 1.904 2.232 ( -15.961 0.848 36.045) 39.429 2.695 ( -6.827 -0.271 11.404) 13.294 2.912 ( 3.741 2.092 -11.087) 11.887 3.006 ( 6.681 0.021 -12.861) 14.493 3.929 ( 3.742 1.232 -5.849) 7.052 4.654 ( -0.244 0.323 2.892) 2.920 4.848 ( -0.820 -1.184 0.048) 1.441 5.865 ( 9.760 -0.198 -24.114) 26.015 8.395 ( -1.279 -0.847 1.879) 2.426 8.466 ( -0.260 -0.025 -0.023) 0.262 8.968 ( -5.833 -3.434 23.022) 23.997 9.116 ( -3.324 0.473 11.951) 12.413 10.189 ( -1.269 -0.176 2.963) 3.228 10.415 ( 2.812 2.088 0.608) 3.555 10.782 ( 0.519 -0.812 -6.411) 6.483 11.374 ( 1.597 0.491 -7.988) 8.161 ======================= Grid point 141 (63/165) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -6.449 1.220 1.754) 6.794 0.895 ( -6.080 2.670 2.161) 6.983 1.078 ( -3.469 2.327 1.883) 4.582 1.245 ( 0.723 -2.438 1.653) 3.032 1.355 ( -5.508 8.895 3.728) 11.107 1.500 ( 2.031 -1.049 3.625) 4.286 1.922 ( 1.756 -4.096 -6.578) 7.946 2.024 ( -2.096 0.263 -0.929) 2.308 2.230 ( -14.191 -0.391 36.107) 38.797 2.665 ( -7.087 -0.838 11.991) 13.954 2.882 ( 4.492 0.996 -11.910) 12.768 3.032 ( 6.922 -0.042 -12.144) 13.979 3.939 ( 4.035 1.405 -5.662) 7.093 4.669 ( 0.114 0.740 2.793) 2.892 4.831 ( -2.048 -0.183 -0.412) 2.097 5.856 ( 9.649 -0.105 -24.021) 25.887 8.394 ( -1.308 -0.800 1.272) 1.992 8.468 ( 0.166 -0.103 0.373) 0.421 9.063 ( -2.703 -0.630 10.828) 11.178 9.236 ( -0.004 -7.876 26.605) 27.746 10.195 ( -1.095 -0.403 3.743) 3.921 10.437 ( 2.022 2.529 0.159) 3.242 10.759 ( 1.221 -0.540 -6.067) 6.212 11.333 ( 1.182 0.202 -8.482) 8.566 ======================= Grid point 142 (64/165) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -7.136 3.072 5.516) 9.529 0.729 ( -9.971 6.535 3.696) 12.482 1.018 ( -3.133 0.958 3.594) 4.863 1.215 ( -3.676 5.659 7.567) 10.139 1.305 ( -0.268 -0.819 1.327) 1.582 1.572 ( 2.064 -0.858 2.847) 3.620 1.867 ( -5.656 -1.508 -5.122) 7.778 1.982 ( -0.956 1.568 0.214) 1.848 2.284 ( -10.601 -1.632 32.072) 33.818 2.651 ( -6.461 -1.148 12.754) 14.343 2.868 ( 5.230 0.112 -13.059) 14.068 3.059 ( 6.577 0.237 -12.223) 13.882 3.952 ( 3.884 1.189 -5.786) 7.069 4.681 ( -0.036 0.973 2.753) 2.920 4.776 ( -3.344 1.004 -0.578) 3.538 5.849 ( 9.950 -0.069 -23.833) 25.827 8.388 ( -0.973 -0.485 0.777) 1.337 8.477 ( 0.375 -0.052 0.576) 0.689 9.076 ( -3.338 0.273 8.402) 9.044 9.634 ( 8.434 -16.397 22.336) 28.964 10.228 ( -0.350 -2.321 7.421) 7.783 10.422 ( -1.586 0.684 -1.383) 2.213 10.737 ( 2.376 3.636 -4.887) 6.539 11.297 ( 1.798 -0.384 -7.892) 8.103 ======================= Grid point 143 (65/165) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -4.772 4.224 10.253) 12.072 0.540 ( -8.324 5.546 10.605) 14.577 0.999 ( -1.839 0.280 3.172) 3.677 1.178 ( -3.247 3.106 10.362) 11.295 1.299 ( -1.558 -1.003 -0.930) 2.073 1.601 ( -1.654 -0.014 -2.430) 2.940 1.773 ( -1.096 -0.537 1.512) 1.943 1.967 ( 0.072 1.088 1.818) 2.119 2.339 ( -11.721 -1.064 29.765) 32.008 2.649 ( -6.064 -0.610 13.019) 14.374 2.873 ( 6.637 -0.272 -12.887) 14.499 3.069 ( 5.643 0.357 -12.685) 13.888 3.956 ( 2.707 0.627 -6.438) 7.012 4.685 ( -0.673 1.409 2.911) 3.304 4.712 ( -2.303 0.592 1.010) 2.583 5.851 ( 10.461 -0.038 -23.727) 25.930 8.385 ( -0.426 -0.188 0.768) 0.898 8.487 ( 0.211 -0.003 0.564) 0.602 9.077 ( -3.489 0.043 8.459) 9.151 9.967 ( 0.966 -9.832 -3.789) 10.580 10.318 ( -10.666 -5.977 -0.451) 12.235 10.401 ( 3.918 -4.103 4.692) 7.362 10.729 ( 7.598 5.716 3.300) 10.064 11.296 ( 3.641 -0.373 -6.451) 7.417 ======================= Grid point 145 (66/165) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 5.135 -0.000 9.125) 10.470 0.868 ( 6.347 -0.000 1.793) 6.595 0.996 ( 0.763 -0.000 3.063) 3.156 1.259 ( 0.120 -0.000 0.920) 0.928 1.265 ( -1.338 0.000 -3.706) 3.940 1.353 ( 2.539 -0.000 3.211) 4.093 1.981 ( -1.365 0.000 -0.726) 1.546 1.981 ( 0.077 -0.000 -1.111) 1.114 2.280 ( -14.558 0.000 33.629) 36.645 2.690 ( -3.951 0.000 13.482) 14.049 2.994 ( 5.274 -0.000 -9.487) 10.854 3.012 ( 4.997 -0.000 -15.275) 16.072 3.919 ( 3.195 -0.000 -6.356) 7.114 4.644 ( -1.629 0.000 2.911) 3.336 4.788 ( 0.951 -0.000 0.312) 1.001 5.868 ( 10.209 -0.000 -24.016) 26.096 8.389 ( -1.028 0.000 1.963) 2.216 8.484 ( -0.546 0.000 0.183) 0.576 9.061 ( -21.319 0.000 20.157) 29.339 9.106 ( -2.953 0.000 9.038) 9.509 10.189 ( -0.867 0.000 1.991) 2.172 10.371 ( 0.638 -0.000 -0.647) 0.909 10.889 ( -0.153 0.000 -6.526) 6.528 11.399 ( 3.628 -0.000 -5.444) 6.542 ======================= Grid point 146 (67/165) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 1.302 1.721 2.525) 3.321 0.957 ( 2.314 -2.064 -0.688) 3.176 1.072 ( 3.952 1.471 5.165) 6.668 1.217 ( -0.698 -3.619 -2.743) 4.594 1.254 ( -0.481 1.773 0.814) 2.010 1.487 ( 6.829 -3.939 2.540) 8.283 1.906 ( -3.066 4.581 -1.015) 5.605 1.991 ( -1.212 -3.318 -0.115) 3.534 2.273 ( -14.950 0.640 34.122) 37.259 2.709 ( -5.097 -0.089 12.093) 13.124 2.989 ( 4.764 1.187 -11.954) 12.923 3.001 ( 4.875 -0.052 -12.629) 13.537 3.935 ( 3.961 0.419 -5.855) 7.081 4.648 ( -0.435 0.241 3.121) 3.160 4.804 ( 0.136 -1.145 -0.095) 1.157 5.866 ( 10.002 -0.125 -24.091) 26.085 8.385 ( -1.300 -0.212 2.118) 2.494 8.475 ( -0.565 0.005 -0.045) 0.567 8.915 ( -14.355 -0.287 22.495) 26.687 9.120 ( -3.092 0.339 9.151) 9.665 10.187 ( -1.222 -0.069 2.250) 2.561 10.402 ( 3.332 0.604 0.570) 3.434 10.826 ( -1.079 0.203 -6.814) 6.902 11.406 ( 2.307 0.146 -6.385) 6.791 ======================= Grid point 147 (68/165) ======================= q-point: (-0.62 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -1.088 4.008 -0.311) 4.164 0.990 ( 0.167 -0.006 0.358) 0.395 1.120 ( 0.698 0.246 2.713) 2.812 1.215 ( -1.870 1.322 -0.445) 2.333 1.305 ( 4.290 -3.215 3.402) 6.349 1.669 ( 6.869 -5.789 -1.487) 9.105 1.771 ( -4.817 6.754 -0.150) 8.297 2.003 ( -1.309 -3.531 -0.837) 3.858 2.254 ( -15.910 1.069 35.385) 38.812 2.691 ( -6.838 -0.165 10.778) 12.765 2.953 ( 2.957 1.683 -11.375) 11.873 3.005 ( 6.404 -0.175 -12.935) 14.435 3.956 ( 4.366 1.216 -5.445) 7.085 4.666 ( 0.541 0.817 3.059) 3.212 4.815 ( -0.596 -1.782 -0.139) 1.884 5.861 ( 9.848 -0.167 -24.087) 26.023 8.380 ( -1.446 -0.548 1.965) 2.500 8.466 ( -0.407 -0.031 0.004) 0.408 8.902 ( -9.074 -2.541 24.108) 25.884 9.127 ( -3.372 0.506 9.308) 9.913 10.184 ( -1.270 -0.193 2.603) 2.902 10.468 ( 5.239 2.625 1.020) 5.948 10.760 ( -1.324 -1.209 -6.478) 6.722 11.383 ( 1.176 0.304 -7.455) 7.554 ======================= Grid point 148 (69/165) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.289 5.721 1.481) 6.049 0.956 ( -2.586 3.222 1.086) 4.271 1.135 ( -1.959 2.286 1.718) 3.466 1.184 ( -0.045 -2.928 -0.410) 2.957 1.432 ( 3.870 -1.354 4.135) 5.823 1.587 ( -5.295 9.146 1.758) 10.713 1.814 ( 3.572 -5.872 -5.300) 8.679 2.006 ( -0.811 -2.317 -1.694) 2.983 2.231 ( -16.039 0.561 36.535) 39.904 2.649 ( -7.663 -0.651 11.359) 13.717 2.904 ( 3.317 1.071 -12.132) 12.623 3.028 ( 6.745 -0.324 -12.176) 13.923 3.977 ( 4.582 2.017 -5.291) 7.284 4.688 ( 0.753 1.159 2.565) 2.914 4.815 ( -1.477 -1.376 0.067) 2.020 5.854 ( 9.722 -0.110 -24.001) 25.895 8.376 ( -1.302 -0.762 1.569) 2.176 8.465 ( -0.024 -0.182 0.455) 0.490 9.001 ( -5.049 -5.194 23.404) 24.500 9.137 ( -4.110 -1.200 11.929) 12.674 10.187 ( -1.098 -0.315 3.015) 3.224 10.510 ( 2.601 4.197 -0.407) 4.955 10.735 ( 2.170 -1.826 -4.841) 5.611 11.336 ( 0.460 0.119 -8.220) 8.234 ======================= Grid point 149 (70/165) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -1.841 7.512 4.470) 8.933 0.858 ( -4.462 5.744 1.073) 7.352 1.068 ( -2.656 3.365 2.201) 4.819 1.221 ( -0.584 -3.235 0.179) 3.293 1.416 ( -3.418 9.261 5.390) 11.247 1.550 ( 2.598 -1.063 3.530) 4.510 1.822 ( -3.101 -2.786 -5.575) 6.961 2.004 ( 0.716 -0.068 -2.168) 2.284 2.246 ( -13.395 -1.617 35.087) 37.592 2.622 ( -6.968 -1.508 12.673) 14.541 2.871 ( 4.238 0.198 -12.738) 13.426 3.059 ( 6.723 -0.301 -12.209) 13.941 3.990 ( 4.243 2.342 -5.686) 7.472 4.703 ( 0.455 1.121 2.029) 2.363 4.791 ( -2.305 0.196 0.396) 2.347 5.848 ( 9.903 -0.094 -23.766) 25.747 8.375 ( -0.880 -0.669 1.112) 1.568 8.474 ( 0.242 -0.249 0.855) 0.923 9.081 ( -3.479 -0.086 9.514) 10.131 9.284 ( -3.837 -14.507 25.877) 29.914 10.198 ( -1.155 -0.743 3.915) 4.149 10.465 ( -1.528 2.964 -1.698) 3.742 10.787 ( 5.974 1.251 -4.053) 7.327 11.286 ( 0.778 -0.561 -8.007) 8.065 ======================= Grid point 150 (71/165) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -2.340 7.990 8.771) 12.093 0.720 ( -3.061 9.719 3.709) 10.843 1.027 ( -1.105 2.771 3.936) 4.939 1.233 ( -0.740 -1.504 0.288) 1.700 1.316 ( -4.256 6.002 6.348) 9.717 1.603 ( -0.750 0.172 -1.186) 1.413 1.753 ( -1.251 -1.260 0.613) 1.879 1.999 ( 0.345 1.475 0.851) 1.737 2.299 ( -11.875 -2.592 30.335) 32.679 2.625 ( -5.968 -1.597 13.396) 14.752 2.864 ( 5.814 -0.510 -12.739) 14.012 3.076 ( 5.776 0.133 -12.940) 14.171 3.983 ( 2.693 1.979 -6.594) 7.393 4.713 ( 0.435 0.967 1.832) 2.117 4.744 ( -2.277 2.080 1.331) 3.359 5.849 ( 10.409 -0.114 -23.602) 25.795 8.378 ( -0.382 -0.449 0.983) 1.146 8.486 ( 0.115 -0.129 0.815) 0.833 9.079 ( -3.765 0.149 8.275) 9.093 9.569 ( -8.241 -22.602 17.927) 30.002 10.214 ( -2.967 -1.953 4.440) 5.686 10.413 ( 0.589 2.373 0.604) 2.518 10.817 ( 4.135 2.799 -5.183) 7.196 11.279 ( 3.699 -1.186 -6.250) 7.359 ======================= Grid point 151 (72/165) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -1.787 6.834 11.970) 13.899 0.660 ( 4.055 9.531 7.417) 12.740 1.016 ( -0.537 2.629 3.239) 4.206 1.228 ( -2.624 3.625 7.874) 9.057 1.251 ( -1.711 -1.264 -0.572) 2.203 1.508 ( -4.795 0.683 -3.647) 6.063 1.842 ( 6.083 -1.666 1.543) 6.493 2.001 ( 0.538 1.504 1.518) 2.203 2.313 ( -14.837 -1.641 30.013) 33.520 2.640 ( -5.278 -0.736 13.621) 14.626 2.899 ( 7.489 -1.211 -11.690) 13.936 3.066 ( 4.849 0.278 -13.684) 14.520 3.950 ( 1.390 1.046 -6.884) 7.101 4.693 ( -2.441 1.458 2.252) 3.627 4.736 ( 1.848 1.741 1.844) 3.138 5.858 ( 10.729 -0.038 -23.708) 26.022 8.385 ( -0.221 -0.233 1.217) 1.258 8.491 ( -0.179 -0.035 0.599) 0.626 9.078 ( -3.513 -0.306 8.513) 9.214 9.606 ( -22.842 -15.358 8.894) 28.926 10.195 ( -2.505 -0.267 2.624) 3.638 10.428 ( 0.191 0.846 -0.381) 0.948 10.846 ( 4.087 -2.409 -3.146) 5.693 11.327 ( 5.245 -0.225 -5.597) 7.674 ======================= Grid point 154 (73/165) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.148 0.000 -0.867) 0.880 0.954 ( 2.768 -0.000 0.625) 2.838 1.149 ( -1.755 0.000 -1.010) 2.025 1.189 ( 0.411 -0.000 2.962) 2.991 1.295 ( 4.345 -0.000 2.990) 5.274 1.590 ( 6.992 -0.000 -0.694) 7.027 1.892 ( -2.834 0.000 -0.719) 2.924 1.920 ( -2.807 0.000 -0.215) 2.815 2.267 ( -15.761 0.000 34.961) 38.350 2.689 ( -6.802 0.000 10.521) 12.529 2.973 ( 2.433 -0.000 -11.412) 11.668 3.002 ( 6.493 -0.000 -13.195) 14.706 3.970 ( 4.685 -0.000 -5.339) 7.103 4.678 ( 0.893 -0.000 3.401) 3.516 4.792 ( -0.572 0.000 -0.499) 0.759 5.859 ( 9.881 -0.000 -24.033) 25.985 8.374 ( -1.519 0.000 1.983) 2.498 8.465 ( -0.461 0.000 -0.015) 0.461 8.874 ( -10.189 0.000 24.002) 26.075 9.133 ( -3.342 0.000 8.830) 9.441 10.182 ( -1.252 0.000 2.470) 2.769 10.501 ( 6.762 -0.000 1.129) 6.856 10.744 ( -2.707 0.000 -6.505) 7.046 11.386 ( 0.993 -0.000 -7.200) 7.269 ======================= Grid point 155 (74/165) ======================= q-point: (-0.62 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.140 4.932 2.069) 5.350 1.014 ( 2.317 1.075 -0.310) 2.573 1.114 ( -1.962 -1.267 1.606) 2.835 1.167 ( -2.811 -0.865 -1.538) 3.319 1.418 ( 6.002 0.465 3.846) 7.144 1.700 ( 4.955 -3.604 -3.813) 7.217 1.774 ( -3.920 7.785 0.529) 8.732 1.923 ( -1.609 -5.456 -0.986) 5.773 2.246 ( -16.435 0.573 36.033) 39.608 2.640 ( -7.991 -0.219 10.928) 13.540 2.921 ( 2.402 0.478 -12.433) 12.672 3.021 ( 6.628 -0.248 -12.503) 14.154 4.011 ( 5.101 1.008 -5.225) 7.372 4.715 ( 1.062 1.197 2.931) 3.340 4.781 ( -1.180 -1.505 -0.164) 1.919 5.852 ( 9.760 -0.045 -23.906) 25.822 8.365 ( -1.322 -0.311 1.742) 2.209 8.461 ( -0.174 -0.101 0.355) 0.408 8.915 ( -7.662 -2.303 25.291) 26.526 9.133 ( -3.971 0.124 8.550) 9.428 10.182 ( -1.028 -0.127 2.767) 2.955 10.601 ( 3.029 4.346 -1.622) 5.540 10.682 ( 2.408 -3.309 -3.435) 5.343 11.338 ( -0.078 0.041 -7.895) 7.895 ======================= Grid point 156 (75/165) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.963 6.690 5.067) 8.447 0.975 ( -1.069 5.728 -0.127) 5.829 1.116 ( -1.678 -0.603 -2.177) 2.814 1.150 ( 0.418 -2.447 1.820) 3.079 1.530 ( 4.673 0.054 2.845) 5.471 1.622 ( -3.955 9.482 2.468) 10.566 1.756 ( 0.232 -3.246 -4.909) 5.889 1.957 ( 1.189 -4.535 -3.060) 5.598 2.231 ( -15.967 0.162 37.369) 40.638 2.595 ( -7.686 -0.951 12.621) 14.808 2.876 ( 3.405 0.173 -12.490) 12.947 3.048 ( 6.567 -0.623 -12.413) 14.057 4.039 ( 4.630 2.062 -5.890) 7.771 4.727 ( 0.173 1.159 1.507) 1.909 4.781 ( -1.153 -1.010 1.418) 2.088 5.846 ( 9.827 -0.064 -23.675) 25.634 8.362 ( -0.805 -0.481 1.431) 1.711 8.468 ( 0.123 -0.318 0.879) 0.943 9.019 ( -6.765 -5.721 24.490) 26.043 9.124 ( -5.185 -1.081 9.891) 11.220 10.189 ( -0.977 -0.248 3.054) 3.216 10.527 ( -2.086 2.595 -2.811) 4.357 10.797 ( 7.942 -0.028 -2.691) 8.386 11.276 ( -0.258 -0.383 -7.901) 7.915 ======================= Grid point 157 (76/165) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -2.544 7.550 7.889) 11.212 0.895 ( -0.062 7.014 0.705) 7.049 1.095 ( 0.935 1.744 -0.102) 1.981 1.185 ( 0.354 -1.230 0.696) 1.457 1.483 ( -4.330 9.098 4.964) 11.232 1.605 ( 1.240 0.045 -0.007) 1.241 1.727 ( -0.954 -1.125 -1.362) 2.008 2.002 ( 2.322 -2.001 -3.234) 4.456 2.248 ( -14.496 -1.730 35.623) 38.498 2.589 ( -6.130 -1.692 13.991) 15.368 2.856 ( 4.949 -0.175 -12.219) 13.184 3.070 ( 5.797 -0.701 -12.953) 14.209 4.032 ( 2.686 2.469 -7.039) 7.929 4.731 ( 0.268 0.758 1.583) 1.775 4.774 ( -1.293 0.704 1.855) 2.368 5.846 ( 10.289 -0.150 -23.464) 25.621 8.368 ( -0.306 -0.451 1.267) 1.379 8.481 ( 0.071 -0.347 1.033) 1.092 9.081 ( -4.228 -0.151 8.870) 9.828 9.187 ( -10.859 -13.010 24.095) 29.457 10.195 ( -1.492 -0.388 3.067) 3.433 10.469 ( 0.321 2.685 -0.502) 2.751 10.860 ( 3.213 1.441 -6.114) 7.056 11.251 ( 3.126 -1.365 -6.234) 7.106 ======================= Grid point 158 (77/165) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.911 7.902 9.655) 12.509 0.853 ( 2.323 7.311 3.296) 8.350 1.099 ( 2.162 4.202 1.416) 4.933 1.202 ( 0.365 -1.304 -0.974) 1.668 1.361 ( -4.105 8.047 6.494) 11.125 1.534 ( -4.937 1.717 -1.804) 5.529 1.796 ( 4.789 -2.668 0.988) 5.570 2.026 ( 1.299 0.347 -0.626) 1.483 2.270 ( -14.965 -2.186 32.492) 35.839 2.618 ( -4.781 -1.353 14.503) 15.331 2.873 ( 6.479 -1.011 -11.576) 13.304 3.067 ( 4.752 -0.317 -13.892) 14.685 3.983 ( 0.900 2.042 -7.327) 7.659 4.722 ( -2.084 1.390 2.081) 3.257 4.773 ( 1.479 1.359 1.589) 2.561 5.857 ( 10.758 -0.154 -23.584) 25.922 8.379 ( -0.098 -0.315 1.430) 1.467 8.489 ( -0.203 -0.185 0.764) 0.811 9.070 ( -4.119 -0.369 8.057) 9.056 9.269 ( -17.401 -14.663 21.094) 31.029 10.190 ( -1.578 -0.177 2.530) 2.987 10.468 ( 1.525 2.716 0.299) 3.129 10.817 ( 0.064 -0.487 -6.236) 6.255 11.309 ( 5.913 -1.366 -5.573) 8.240 ======================= Grid point 159 (78/165) ======================= q-point: (-0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 1.642 6.978 9.866) 12.196 0.869 ( 4.297 5.873 4.106) 8.355 1.078 ( -0.221 5.624 0.882) 5.697 1.210 ( -0.482 -2.038 -0.710) 2.211 1.301 ( 0.633 5.441 5.796) 7.975 1.434 ( -2.989 2.064 -0.621) 3.684 1.902 ( 3.183 -3.611 -2.391) 5.375 2.029 ( 0.559 1.418 -0.388) 1.572 2.264 ( -15.823 -1.381 34.256) 37.759 2.657 ( -4.097 -0.329 14.417) 14.991 2.920 ( 6.460 -1.985 -10.825) 12.761 3.043 ( 4.524 -0.115 -14.613) 15.298 3.932 ( 1.346 0.908 -6.750) 6.943 4.680 ( -2.715 1.300 2.354) 3.821 4.798 ( 1.824 1.664 1.053) 2.684 5.868 ( 10.696 0.022 -23.902) 26.186 8.389 ( -0.376 -0.061 1.744) 1.785 8.489 ( -0.405 -0.061 0.415) 0.583 9.069 ( -4.401 -1.357 8.763) 9.899 9.201 ( -20.679 -7.838 19.407) 29.423 10.188 ( -0.925 -0.069 2.257) 2.440 10.427 ( -1.563 2.822 -1.839) 3.713 10.831 ( 2.449 -3.758 -4.250) 6.179 11.370 ( 4.867 -0.438 -6.002) 7.740 ======================= Grid point 163 (79/165) ======================= q-point: (-0.62 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.911 0.000 4.976) 5.058 1.069 ( -1.009 0.000 -0.963) 1.395 1.071 ( -3.731 0.000 3.480) 5.102 1.113 ( 3.797 -0.000 -3.457) 5.135 1.536 ( 4.810 -0.000 1.698) 5.101 1.713 ( 2.275 -0.000 -4.227) 4.800 1.780 ( -3.624 0.000 0.863) 3.725 1.852 ( 0.607 -0.000 -1.756) 1.858 2.236 ( -16.322 0.000 37.259) 40.677 2.585 ( -8.035 0.000 12.593) 14.938 2.878 ( 3.127 -0.000 -12.385) 12.773 3.040 ( 6.470 -0.000 -12.671) 14.227 4.063 ( 4.792 -0.000 -6.039) 7.709 4.747 ( -1.210 0.000 0.195) 1.225 4.761 ( 0.497 -0.000 2.947) 2.988 5.845 ( 9.787 -0.000 -23.634) 25.580 8.357 ( -0.777 0.000 1.561) 1.743 8.464 ( 0.065 -0.000 0.812) 0.815 8.955 ( -8.184 0.000 25.677) 26.950 9.119 ( -4.653 0.000 7.874) 9.146 10.186 ( -0.901 0.000 2.905) 3.041 10.557 ( -2.696 0.000 -3.550) 4.458 10.795 ( 8.979 -0.000 -1.908) 9.179 11.272 ( -0.702 0.000 -7.803) 7.835 ======================= Grid point 165 (80/165) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.747 5.132 5.242) 7.542 1.014 ( -2.218 3.517 2.979) 5.115 1.054 ( -0.797 -3.475 -0.646) 3.623 1.195 ( 4.713 0.271 -0.407) 4.738 1.602 ( 2.097 0.128 0.054) 2.102 1.677 ( -2.438 8.172 1.845) 8.725 1.712 ( 0.357 -0.162 -2.720) 2.748 1.907 ( 2.399 -6.196 -3.396) 7.462 2.235 ( -16.020 0.052 38.025) 41.262 2.562 ( -6.447 -0.722 14.443) 15.833 2.856 ( 4.652 0.105 -11.515) 12.419 3.054 ( 5.766 -0.573 -13.192) 14.409 4.073 ( 2.651 1.162 -7.449) 7.991 4.742 ( 0.289 0.308 1.539) 1.596 4.778 ( -0.904 -0.044 2.417) 2.581 5.844 ( 10.171 -0.074 -23.396) 25.511 8.361 ( -0.235 -0.188 1.467) 1.497 8.474 ( 0.099 -0.231 1.065) 1.095 9.003 ( -10.193 -3.831 24.920) 27.195 9.093 ( -5.110 -0.049 7.688) 9.232 10.190 ( -1.201 -0.085 2.767) 3.017 10.512 ( 0.372 1.182 -1.124) 1.672 10.880 ( 3.229 0.477 -5.771) 6.630 11.229 ( 2.459 -0.612 -6.284) 6.776 ======================= Grid point 166 (81/165) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.078 5.663 5.980) 8.237 0.974 ( -0.134 4.972 3.941) 6.345 1.090 ( 0.768 -3.349 -0.440) 3.464 1.240 ( 2.158 2.208 0.037) 3.087 1.554 ( -2.304 7.740 1.133) 8.155 1.586 ( -2.191 5.414 1.624) 6.063 1.738 ( 2.568 -2.786 -0.682) 3.850 1.985 ( 2.682 -4.699 -3.688) 6.548 2.240 ( -16.126 -0.495 37.557) 40.876 2.590 ( -4.364 -1.128 15.304) 15.954 2.863 ( 5.762 0.027 -11.028) 12.442 3.053 ( 4.831 -0.871 -14.079) 14.910 4.025 ( 0.515 1.745 -7.914) 8.120 4.750 ( -1.498 1.227 2.213) 2.941 4.785 ( 0.975 -0.094 1.917) 2.152 5.853 ( 10.699 -0.182 -23.424) 25.752 8.373 ( 0.063 -0.205 1.615) 1.629 8.484 ( -0.126 -0.276 0.867) 0.918 9.041 ( -13.468 -7.056 23.507) 27.996 9.065 ( -4.543 -0.303 7.856) 9.080 10.188 ( -1.375 -0.086 2.475) 2.833 10.525 ( 2.919 2.395 0.317) 3.789 10.814 ( -2.958 0.044 -7.450) 8.016 11.280 ( 6.259 -1.246 -5.579) 8.477 ======================= Grid point 167 (82/165) ======================= q-point: (-0.25 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 1.482 6.323 7.593) 9.992 0.966 ( 1.843 4.382 3.322) 5.800 1.133 ( 1.253 -2.161 -0.938) 2.668 1.213 ( -2.066 3.382 -0.309) 3.976 1.435 ( -3.412 4.467 -0.971) 5.704 1.527 ( 1.872 9.181 5.916) 11.082 1.807 ( 0.918 -5.359 -2.618) 6.034 2.034 ( 1.678 -1.481 -1.568) 2.733 2.241 ( -16.136 -0.631 36.898) 40.277 2.646 ( -3.478 -0.628 15.189) 15.595 2.887 ( 5.866 -0.946 -10.999) 12.501 3.034 ( 4.508 -0.718 -14.938) 15.620 3.958 ( 0.498 1.418 -7.285) 7.439 4.710 ( -2.942 1.474 2.254) 3.989 4.822 ( 1.690 0.561 1.392) 2.260 5.867 ( 10.807 -0.126 -23.752) 26.095 8.388 ( -0.050 -0.021 1.916) 1.917 8.487 ( -0.342 -0.171 0.418) 0.567 9.020 ( -12.369 -4.241 17.549) 21.885 9.070 ( -6.994 -3.141 13.212) 15.276 10.185 ( -1.100 -0.143 2.437) 2.678 10.505 ( -1.347 4.466 -2.153) 5.138 10.761 ( 1.232 -3.108 -4.289) 5.438 11.352 ( 5.512 -1.085 -6.367) 8.491 ======================= Grid point 168 (83/165) ======================= q-point: (-0.12 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.700 6.269 7.525) 9.819 0.983 ( 1.921 3.096 2.217) 4.265 1.090 ( -3.343 3.857 -1.281) 5.263 1.182 ( 0.293 -2.267 -0.158) 2.291 1.355 ( -1.463 2.121 -1.253) 2.865 1.546 ( 6.033 8.657 5.533) 11.914 1.821 ( -3.259 -6.005 -3.637) 7.740 2.056 ( 1.115 0.870 0.172) 1.425 2.246 ( -15.542 -0.896 36.110) 39.323 2.694 ( -3.989 0.041 14.238) 14.786 2.920 ( 5.316 -2.122 -10.784) 12.209 3.011 ( 4.944 -0.514 -15.085) 15.883 3.919 ( 1.989 0.346 -6.589) 6.891 4.664 ( -2.591 1.104 2.514) 3.776 4.843 ( 0.872 1.249 0.721) 1.685 5.874 ( 10.418 0.104 -24.046) 26.206 8.396 ( -0.543 0.319 2.129) 2.220 8.483 ( -0.468 -0.084 0.017) 0.476 8.974 ( -13.306 -2.435 20.434) 24.506 9.083 ( -4.700 -1.731 11.003) 12.089 10.188 ( -0.998 -0.167 2.581) 2.772 10.411 ( -1.986 2.571 -1.873) 3.750 10.808 ( 2.753 -2.736 -4.614) 6.029 11.392 ( 3.827 -0.633 -6.814) 7.841 ======================= Grid point 173 (84/165) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.081 0.000 -0.906) 1.410 1.016 ( -0.318 -0.000 5.597) 5.606 1.039 ( -0.912 0.000 4.398) 4.491 1.256 ( 1.680 0.000 -0.122) 1.685 1.607 ( -1.380 0.000 -0.907) 1.652 1.698 ( 0.184 0.000 -2.452) 2.459 1.740 ( 1.183 0.000 3.191) 3.403 1.881 ( 2.504 0.000 -3.344) 4.178 2.238 ( -16.209 0.000 38.110) 41.414 2.577 ( -4.217 0.000 15.646) 16.204 2.866 ( 5.536 0.000 -10.558) 11.922 3.041 ( 4.931 0.000 -14.306) 15.132 4.045 ( 0.364 0.000 -8.187) 8.195 4.769 ( -2.215 0.000 2.231) 3.144 4.777 ( 1.770 0.000 2.197) 2.821 5.851 ( 10.653 0.000 -23.354) 25.669 8.371 ( 0.144 0.000 1.684) 1.690 8.481 ( -0.059 0.000 0.887) 0.889 8.968 ( -12.080 0.000 23.723) 26.621 9.062 ( -4.877 0.000 7.424) 8.883 10.187 ( -1.359 0.000 2.476) 2.824 10.553 ( 3.756 0.000 0.358) 3.773 10.815 ( -4.298 0.000 -7.755) 8.866 11.265 ( 6.391 0.000 -5.594) 8.493 ======================= Grid point 175 (85/165) ======================= q-point: (-0.38 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.342 3.322 3.048) 4.704 1.064 ( 1.773 1.235 3.003) 3.700 1.074 ( 1.776 -0.639 2.295) 2.972 1.250 ( -2.102 0.024 0.539) 2.171 1.518 ( -5.453 4.115 -1.109) 6.921 1.691 ( -1.843 -4.991 -3.619) 6.435 1.747 ( 3.822 9.723 4.228) 11.270 1.955 ( 2.779 -5.816 -0.841) 6.501 2.237 ( -16.423 0.043 37.960) 41.360 2.635 ( -2.939 -0.328 15.574) 15.852 2.880 ( 5.201 0.062 -10.741) 11.934 3.018 ( 4.773 -0.585 -15.369) 16.104 3.982 ( -0.034 0.707 -7.809) 7.841 4.735 ( -3.079 0.735 2.249) 3.883 4.825 ( 1.733 -0.103 1.827) 2.521 5.864 ( 10.833 -0.095 -23.556) 25.928 8.388 ( 0.211 0.009 1.999) 2.010 8.484 ( -0.255 -0.121 0.418) 0.504 8.943 ( -12.162 -2.090 23.126) 26.213 9.041 ( -4.304 -0.543 7.792) 8.918 10.183 ( -1.226 -0.066 2.528) 2.811 10.601 ( 0.703 4.419 -2.047) 4.920 10.694 ( -1.698 -3.509 -4.687) 6.096 11.333 ( 5.990 -0.544 -6.525) 8.875 ======================= Grid point 176 (86/165) ======================= q-point: (-0.25 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.269 2.028 3.130) 3.739 1.083 ( 1.083 6.327 3.770) 7.444 1.128 ( 1.774 -2.068 -0.068) 2.726 1.191 ( -3.422 4.003 0.252) 5.272 1.378 ( -4.594 1.172 -0.351) 4.755 1.665 ( -4.553 -6.304 -4.436) 8.952 1.758 ( 4.809 8.418 4.570) 10.718 2.041 ( 1.754 -2.621 0.749) 3.242 2.234 ( -16.266 -0.285 37.377) 40.764 2.694 ( -3.748 -0.092 14.639) 15.112 2.888 ( 4.663 -0.892 -11.077) 12.052 2.997 ( 5.408 -0.657 -15.700) 16.618 3.929 ( 1.177 0.541 -7.166) 7.282 4.688 ( -3.082 1.042 2.470) 4.085 4.857 ( 0.855 0.248 1.100) 1.415 5.874 ( 10.518 -0.023 -23.834) 26.052 8.403 ( -0.150 0.272 2.196) 2.218 8.481 ( -0.384 -0.123 -0.068) 0.409 8.934 ( -10.605 -1.297 22.782) 25.163 9.045 ( -3.752 -1.597 9.178) 10.043 10.184 ( -1.065 -0.175 2.741) 2.946 10.476 ( -3.995 3.313 -3.342) 6.173 10.752 ( 4.037 -2.526 -3.076) 5.669 11.377 ( 4.321 -0.642 -7.338) 8.540 ======================= Grid point 177 (87/165) ======================= q-point: (-0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -7.229 6.024 0.838) 9.447 1.009 ( -1.752 0.071 0.663) 1.875 1.110 ( -0.393 4.139 3.368) 5.351 1.178 ( 1.240 -1.013 0.659) 1.731 1.354 ( 0.952 0.738 0.986) 1.556 1.620 ( -5.939 -7.895 -3.172) 10.376 1.792 ( 5.658 7.339 2.547) 9.611 2.073 ( -0.034 -0.048 0.413) 0.417 2.233 ( -15.969 -0.663 36.293) 39.657 2.715 ( -5.470 0.112 12.846) 13.963 2.900 ( 4.207 -2.073 -10.730) 11.710 2.992 ( 6.343 -0.370 -14.564) 15.889 3.911 ( 2.689 -0.274 -6.577) 7.110 4.654 ( -1.956 0.653 2.761) 3.446 4.864 ( -0.055 0.757 0.474) 0.895 5.874 ( 10.033 0.150 -24.027) 26.038 8.406 ( -0.766 0.642 2.155) 2.375 8.473 ( -0.401 -0.072 -0.263) 0.485 8.942 ( -8.120 0.956 22.784) 24.207 9.076 ( -3.361 -1.737 10.818) 11.461 10.188 ( -1.137 -0.124 2.942) 3.157 10.392 ( -0.907 1.007 -1.052) 1.716 10.799 ( 2.574 -1.010 -5.268) 5.949 11.388 ( 2.787 -0.590 -7.728) 8.237 ======================= Grid point 183 (88/165) ======================= q-point: (-0.38 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -1.040 0.000 0.517) 1.161 1.097 ( 3.059 -0.000 2.082) 3.700 1.194 ( 5.809 -0.000 3.126) 6.597 1.196 ( -4.677 0.000 1.999) 5.086 1.431 ( -8.309 0.000 0.722) 8.340 1.547 ( -5.921 0.000 -6.334) 8.671 1.910 ( 3.305 -0.000 4.563) 5.634 1.963 ( 3.267 -0.000 0.595) 3.321 2.231 ( -16.599 0.000 37.723) 41.214 2.692 ( -3.581 0.000 14.738) 15.166 2.880 ( 4.099 -0.000 -11.042) 11.778 2.989 ( 5.802 -0.000 -16.057) 17.073 3.936 ( 0.859 -0.000 -7.469) 7.518 4.701 ( -3.276 0.000 2.475) 4.106 4.859 ( 0.875 -0.000 1.280) 1.551 5.874 ( 10.551 -0.000 -23.701) 25.944 8.406 ( 0.027 -0.000 2.203) 2.203 8.479 ( -0.337 0.000 -0.086) 0.348 8.921 ( -9.503 0.000 24.103) 25.908 9.027 ( -3.539 0.000 7.870) 8.629 10.182 ( -1.097 0.000 2.776) 2.985 10.519 ( -5.501 0.000 -4.568) 7.150 10.720 ( 5.186 -0.000 -1.821) 5.496 11.370 ( 4.558 -0.000 -7.510) 8.785 ======================= Grid point 184 (89/165) ======================= q-point: (-0.25 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -3.136 -0.173 -0.320) 3.157 1.093 ( -6.289 3.972 0.994) 7.505 1.168 ( 1.891 0.224 3.728) 4.186 1.223 ( -5.076 6.748 1.083) 8.513 1.343 ( 3.058 -1.724 2.002) 4.041 1.439 ( -7.883 -8.101 -4.067) 12.013 1.938 ( 3.254 5.964 2.420) 7.212 2.042 ( 0.977 -2.908 1.213) 3.299 2.224 ( -16.145 -0.221 36.569) 39.975 2.716 ( -5.514 0.034 13.159) 14.268 2.870 ( 3.958 -0.738 -10.861) 11.583 2.986 ( 6.883 -0.195 -14.968) 16.476 3.909 ( 2.277 0.003 -7.108) 7.464 4.666 ( -2.569 0.396 2.774) 3.802 4.871 ( -0.123 0.075 0.614) 0.631 5.876 ( 10.028 0.033 -23.838) 25.861 8.417 ( -0.506 0.292 2.127) 2.205 8.472 ( -0.293 -0.042 -0.344) 0.454 8.964 ( -6.047 0.945 24.766) 25.511 9.040 ( -2.925 -1.389 9.406) 9.948 10.185 ( -1.043 -0.091 2.985) 3.164 10.417 ( -2.628 0.926 -2.076) 3.475 10.780 ( 3.760 -0.616 -4.130) 5.619 11.379 ( 3.072 -0.273 -8.148) 8.712 ======================= Grid point 185 (90/165) ======================= q-point: (-0.12 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -9.369 4.437 -0.612) 10.385 0.964 ( -5.498 0.140 2.472) 6.030 1.113 ( -4.049 0.474 1.938) 4.514 1.223 ( 1.979 1.338 2.937) 3.786 1.370 ( -7.236 -7.648 -0.224) 10.531 1.439 ( 2.801 -0.961 2.293) 3.745 1.945 ( 3.693 4.743 -1.766) 6.265 2.060 ( -1.177 -0.519 -0.356) 1.335 2.220 ( -15.634 -0.352 36.259) 39.488 2.701 ( -6.670 0.243 12.026) 13.754 2.874 ( 4.417 -1.342 -10.850) 11.791 3.005 ( 7.049 -0.095 -13.126) 14.900 3.910 ( 3.367 -0.515 -6.494) 7.334 4.652 ( -1.171 0.066 2.977) 3.199 4.862 ( -1.076 0.212 -0.047) 1.098 5.868 ( 9.654 0.103 -23.983) 25.853 8.412 ( -1.114 0.661 1.739) 2.168 8.467 ( -0.086 0.000 -0.155) 0.177 9.028 ( -2.690 2.024 15.832) 16.186 9.111 ( -2.067 0.072 20.824) 20.926 10.190 ( -1.124 0.004 3.282) 3.469 10.390 ( 0.769 -0.349 -0.136) 0.856 10.792 ( 1.685 0.207 -6.032) 6.266 11.364 ( 1.953 -0.411 -8.412) 8.646 ======================= Grid point 192 (91/165) ======================= q-point: (-0.25 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -6.350 0.000 -0.329) 6.359 0.992 ( -10.580 0.000 2.104) 10.788 1.138 ( -7.545 0.000 2.546) 7.963 1.232 ( -6.920 0.000 -1.023) 6.995 1.240 ( 2.103 -0.000 3.724) 4.277 1.440 ( 4.884 -0.000 2.390) 5.437 2.008 ( -0.686 0.000 1.726) 1.857 2.042 ( 1.869 -0.000 -3.645) 4.096 2.216 ( -15.555 0.000 36.653) 39.817 2.704 ( -6.554 0.000 12.280) 13.920 2.860 ( 4.658 -0.000 -10.769) 11.734 3.004 ( 7.228 -0.000 -13.311) 15.147 3.906 ( 3.305 -0.000 -6.845) 7.601 4.653 ( -1.615 0.000 3.061) 3.461 4.863 ( -1.186 0.000 -0.145) 1.195 5.870 ( 9.601 -0.000 -23.877) 25.735 8.419 ( -1.045 0.000 1.676) 1.975 8.467 ( -0.006 0.000 -0.253) 0.253 9.048 ( -2.512 0.000 8.388) 8.756 9.114 ( -0.057 0.000 28.966) 28.966 10.190 ( -1.018 0.000 3.348) 3.499 10.389 ( -0.005 0.000 -0.521) 0.521 10.794 ( 2.095 -0.000 -5.712) 6.084 11.359 ( 2.065 -0.000 -8.560) 8.806 ======================= Grid point 193 (92/165) ======================= q-point: (-0.12 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -11.274 3.849 2.000) 12.079 0.834 ( -10.700 -3.615 2.507) 11.569 1.055 ( -4.144 0.238 2.330) 4.760 1.180 ( -5.917 -5.785 5.887) 10.156 1.291 ( 1.532 1.077 2.681) 3.270 1.521 ( 2.800 0.574 2.841) 4.030 1.980 ( -1.018 1.580 -2.910) 3.464 2.011 ( -2.740 -0.724 -3.254) 4.315 2.240 ( -12.309 0.336 35.200) 37.292 2.679 ( -6.633 0.406 12.431) 14.095 2.867 ( 5.307 -0.393 -11.923) 13.056 3.032 ( 6.925 -0.047 -12.309) 14.123 3.921 ( 3.850 -0.374 -6.206) 7.313 4.658 ( -0.661 -0.268 3.171) 3.250 4.828 ( -2.533 -0.223 -0.968) 2.720 5.858 ( 9.580 0.039 -23.931) 25.777 8.406 ( -1.339 0.355 1.048) 1.737 8.469 ( 0.304 0.012 0.134) 0.332 9.065 ( -2.799 -0.086 8.507) 8.956 9.381 ( 8.080 4.405 29.816) 31.204 10.202 ( -0.782 0.217 4.743) 4.812 10.408 ( 1.754 -0.452 0.163) 1.819 10.763 ( -0.234 -0.058 -6.833) 6.837 11.329 ( 1.626 -0.141 -8.477) 8.632 ======================= Grid point 201 (93/165) ======================= q-point: (-0.12 -0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -13.131 0.000 7.367) 15.057 0.618 ( -11.255 0.000 4.770) 12.224 1.018 ( -2.716 0.000 2.400) 3.624 1.136 ( -3.703 0.000 10.827) 11.443 1.323 ( -0.223 0.000 0.843) 0.872 1.581 ( 2.021 -0.000 2.174) 2.968 1.883 ( -6.704 0.000 -4.850) 8.274 1.961 ( -1.406 0.000 0.992) 1.721 2.302 ( -9.812 0.000 31.383) 32.881 2.664 ( -6.335 0.000 12.816) 14.296 2.867 ( 5.679 -0.000 -13.239) 14.406 3.055 ( 6.316 -0.000 -12.167) 13.709 3.941 ( 3.777 -0.000 -5.983) 7.075 4.669 ( -0.674 0.000 3.267) 3.336 4.763 ( -3.730 0.000 -0.968) 3.854 5.850 ( 9.961 -0.000 -23.848) 25.845 8.393 ( -1.024 0.000 0.633) 1.203 8.478 ( 0.445 -0.000 0.390) 0.592 9.073 ( -3.285 0.000 8.376) 8.997 9.825 ( 16.851 -0.000 14.435) 22.189 10.267 ( 3.293 -0.000 11.260) 11.732 10.439 ( 1.725 -0.000 -0.298) 1.750 10.670 ( -4.768 0.000 -5.343) 7.161 11.301 ( 2.238 -0.000 -7.739) 8.056 ======================= Grid point 202 (94/165) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.894 0.000 9.237) 9.280 0.784 ( -1.182 0.000 13.360) 13.412 1.027 ( -0.707 0.000 0.876) 1.126 1.250 ( -0.252 0.000 -0.341) 0.424 1.282 ( -0.601 0.000 -0.084) 0.606 1.394 ( -3.427 0.000 -4.407) 5.582 1.914 ( 2.498 -0.000 4.382) 5.044 2.019 ( -1.182 0.000 2.236) 2.529 2.615 ( 8.263 -0.000 -13.359) 15.708 2.742 ( 5.011 -0.000 -16.381) 17.130 2.953 ( -6.243 0.000 15.248) 16.476 3.069 ( -15.192 0.000 36.100) 39.167 3.771 ( 2.979 -0.000 -9.581) 10.034 4.726 ( -1.771 0.000 2.031) 2.694 4.754 ( 0.999 -0.000 1.517) 1.817 5.288 ( 13.717 -0.000 -31.152) 34.038 8.418 ( -0.084 0.000 1.848) 1.850 8.498 ( -0.092 0.000 -0.035) 0.098 9.271 ( -3.194 0.000 9.416) 9.943 9.720 ( -8.977 0.000 -4.447) 10.018 10.271 ( -3.062 0.000 4.060) 5.085 10.389 ( -1.655 0.000 -1.247) 2.072 10.875 ( -1.076 0.000 0.353) 1.132 11.193 ( 6.312 -0.000 -7.259) 9.620 ======================= Grid point 203 (95/165) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 1.343 -2.027 4.870) 5.444 0.899 ( 1.288 -2.725 11.507) 11.895 1.031 ( -0.325 -1.208 1.258) 1.774 1.221 ( -0.930 1.099 -4.025) 4.275 1.265 ( -0.475 -1.142 -0.599) 1.375 1.385 ( 1.103 -2.749 1.506) 3.323 1.961 ( 0.021 2.285 3.226) 3.954 2.013 ( -0.866 -1.181 1.401) 2.027 2.653 ( 7.055 0.625 -12.039) 13.968 2.701 ( 4.876 -0.204 -17.211) 17.889 2.969 ( -5.265 0.190 15.928) 16.776 3.075 ( -14.441 0.039 34.825) 37.700 3.758 ( 3.592 -0.131 -9.298) 9.968 4.710 ( -1.950 -0.359 1.825) 2.695 4.787 ( 1.064 -0.953 0.895) 1.686 5.295 ( 13.565 -0.115 -31.106) 33.936 8.428 ( -0.414 0.028 2.015) 2.058 8.492 ( -0.410 0.067 -0.342) 0.538 9.284 ( -3.296 0.667 9.786) 10.347 9.522 ( -12.073 1.253 4.137) 12.823 10.268 ( -2.022 -0.434 5.569) 5.941 10.364 ( -0.734 -0.672 -0.731) 1.235 10.822 ( -2.006 1.949 -2.748) 3.921 11.239 ( 5.282 0.390 -7.104) 8.861 ======================= Grid point 204 (96/165) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.079 -2.527 0.885) 2.679 0.974 ( -1.555 -2.000 2.279) 3.408 1.082 ( 2.433 -0.363 5.647) 6.159 1.204 ( 1.239 -0.308 -1.242) 1.781 1.267 ( -0.202 -1.967 -0.056) 1.978 1.484 ( 3.612 -5.821 1.740) 7.068 1.910 ( -3.277 4.259 1.643) 5.619 2.037 ( -0.464 -1.818 1.944) 2.702 2.643 ( 5.474 1.196 -15.328) 16.320 2.690 ( 5.710 0.082 -12.680) 13.907 2.994 ( -5.787 0.177 16.852) 17.818 3.079 ( -14.227 -0.055 33.174) 36.096 3.760 ( 4.440 0.291 -8.994) 10.035 4.698 ( -1.394 -0.279 1.726) 2.236 4.819 ( 0.456 -1.718 0.368) 1.815 5.299 ( 13.261 -0.237 -30.803) 33.537 8.433 ( -0.783 -0.129 1.929) 2.086 8.479 ( -0.466 0.152 -0.643) 0.808 9.280 ( -4.272 1.833 9.989) 11.017 9.385 ( -9.157 -0.280 10.571) 13.988 10.283 ( -2.510 -0.837 7.164) 7.637 10.368 ( 0.884 -0.218 0.096) 0.916 10.748 ( -1.167 1.547 -4.734) 5.115 11.254 ( 3.758 1.104 -7.980) 8.890 ======================= Grid point 205 (97/165) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -3.933 -0.582 -0.129) 3.978 0.998 ( 0.111 -1.785 0.221) 1.802 1.161 ( 1.257 -1.051 4.687) 4.965 1.189 ( 0.143 2.121 -1.896) 2.848 1.335 ( 2.466 -3.945 3.115) 5.599 1.621 ( 3.323 -5.326 -0.553) 6.302 1.803 ( -4.456 4.493 1.816) 6.583 2.053 ( -1.352 -1.947 1.133) 2.627 2.624 ( 6.074 0.964 -13.604) 14.930 2.683 ( 5.137 1.011 -12.947) 13.965 3.004 ( -8.384 0.047 19.187) 20.939 3.075 ( -13.890 -0.282 31.015) 33.985 3.769 ( 5.033 1.063 -8.798) 10.191 4.695 ( -0.498 0.001 1.668) 1.740 4.842 ( -0.164 -1.823 0.089) 1.832 5.302 ( 12.891 -0.253 -30.496) 33.109 8.432 ( -1.104 -0.378 1.570) 1.956 8.467 ( -0.173 0.123 -0.631) 0.666 9.258 ( -4.461 1.482 10.553) 11.553 9.367 ( -4.729 -1.735 12.620) 13.588 10.300 ( -3.404 -0.939 8.552) 9.252 10.397 ( 2.372 1.089 1.208) 2.876 10.689 ( -0.164 0.021 -5.768) 5.771 11.230 ( 2.595 1.454 -9.312) 9.776 ======================= Grid point 206 (98/165) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -4.010 -0.019 1.491) 4.278 0.993 ( -2.273 -0.087 0.700) 2.380 1.145 ( -0.840 2.020 -1.401) 2.597 1.228 ( 0.430 -3.006 2.923) 4.214 1.449 ( 3.380 -2.171 3.992) 5.663 1.587 ( -3.644 7.643 -0.015) 8.467 1.788 ( 0.257 -5.453 -1.160) 5.581 2.046 ( -2.231 -1.446 0.399) 2.688 2.624 ( 5.319 1.391 -11.284) 12.552 2.670 ( 6.267 0.185 -13.561) 14.940 2.992 ( -10.147 -0.548 20.749) 23.104 3.064 ( -13.818 -0.116 30.201) 33.213 3.780 ( 5.410 1.653 -8.646) 10.332 4.703 ( 0.150 0.247 1.607) 1.633 4.848 ( -0.951 -1.037 -0.115) 1.411 5.299 ( 12.551 -0.108 -30.408) 32.897 8.426 ( -1.357 -0.501 1.078) 1.804 8.464 ( 0.356 0.008 -0.257) 0.439 9.253 ( -3.381 0.957 9.424) 10.058 9.441 ( -0.626 -3.962 12.523) 13.149 10.315 ( -3.465 -0.944 9.547) 10.200 10.433 ( 2.352 2.342 1.466) 3.628 10.662 ( 0.741 -1.441 -4.720) 4.990 11.183 ( 2.101 1.248 -10.504) 10.784 ======================= Grid point 207 (99/165) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -4.173 0.316 3.860) 5.693 0.938 ( -5.046 1.083 2.991) 5.965 1.097 ( -1.573 1.752 -0.349) 2.380 1.276 ( -0.603 -2.974 1.230) 3.275 1.430 ( -3.016 8.210 2.769) 9.175 1.561 ( 3.077 -0.193 2.579) 4.019 1.817 ( -1.378 -4.415 -3.141) 5.591 2.017 ( -2.591 -0.582 0.727) 2.754 2.602 ( 4.611 1.342 -13.075) 13.929 2.702 ( 7.375 -0.582 -11.600) 13.758 2.981 ( -9.009 -1.308 18.351) 20.485 3.049 ( -14.790 0.221 33.312) 36.448 3.793 ( 5.436 1.698 -8.649) 10.356 4.716 ( 0.266 0.272 1.606) 1.650 4.826 ( -1.914 0.386 -0.122) 1.956 5.290 ( 12.541 0.071 -30.497) 32.975 8.414 ( -1.332 -0.419 0.811) 1.615 8.473 ( 0.730 0.042 0.065) 0.734 9.254 ( -3.322 0.544 8.659) 9.290 9.604 ( 4.266 -6.536 7.345) 10.718 10.348 ( -2.297 -1.599 10.081) 10.462 10.437 ( 0.031 1.914 -0.105) 1.917 10.678 ( 1.879 -0.932 -0.605) 2.183 11.132 ( 2.494 0.500 -11.015) 11.305 ======================= Grid point 208 (100/165) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -4.259 0.596 7.262) 8.440 0.852 ( -6.648 3.301 7.984) 10.901 1.057 ( -1.133 1.350 0.374) 1.802 1.275 ( -2.166 -1.534 -0.607) 2.722 1.349 ( -0.761 5.355 2.331) 5.890 1.596 ( -0.226 0.908 -0.861) 1.271 1.803 ( -1.901 -2.182 0.308) 2.910 2.000 ( -1.159 -0.566 2.317) 2.652 2.576 ( 5.573 0.735 -14.111) 15.190 2.745 ( 6.931 -0.343 -12.214) 14.047 2.974 ( -7.388 -1.131 13.960) 15.834 3.049 ( -15.511 -0.115 37.654) 40.724 3.800 ( 4.669 1.265 -9.043) 10.255 4.728 ( -0.055 0.119 1.639) 1.644 4.781 ( -2.188 1.541 0.714) 2.770 5.283 ( 12.967 0.148 -30.713) 33.339 8.405 ( -0.813 -0.240 0.982) 1.297 8.486 ( 0.684 0.095 0.182) 0.715 9.255 ( -3.477 0.158 8.599) 9.277 9.781 ( 5.016 -6.418 -2.284) 8.460 10.391 ( -3.557 -0.983 -0.211) 3.696 10.414 ( 0.207 -0.348 5.243) 5.259 10.735 ( 2.014 -0.805 5.243) 5.674 11.111 ( 4.416 -0.451 -10.160) 11.087 ======================= Grid point 209 (101/165) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -3.113 0.143 10.476) 10.930 0.780 ( -5.210 4.253 11.995) 13.752 1.036 ( -0.522 0.765 0.548) 1.076 1.256 ( -1.159 -1.956 -1.122) 2.536 1.302 ( -1.092 3.330 1.794) 3.937 1.515 ( -4.242 1.213 -5.560) 7.098 1.837 ( 1.581 -0.820 4.718) 5.043 2.013 ( -0.648 -0.305 3.128) 3.209 2.579 ( 7.503 0.140 -14.182) 16.045 2.760 ( 5.966 -0.051 -14.279) 15.475 2.959 ( -7.188 -0.474 14.273) 15.988 3.062 ( -15.356 -0.247 37.090) 40.144 3.791 ( 3.412 0.584 -9.538) 10.146 4.736 ( -0.087 0.259 1.683) 1.705 4.744 ( -1.466 1.097 1.860) 2.610 5.283 ( 13.508 0.094 -30.969) 33.787 8.407 ( -0.189 -0.114 1.456) 1.472 8.495 ( 0.339 0.033 0.143) 0.370 9.260 ( -3.384 -0.086 8.922) 9.542 9.837 ( -0.716 -3.407 -7.689) 8.440 10.320 ( -4.730 -0.072 0.983) 4.832 10.426 ( -1.085 0.505 -0.318) 1.238 10.833 ( 1.601 -2.602 5.411) 6.213 11.141 ( 6.194 -0.283 -8.493) 10.516 ======================= Grid point 211 (102/165) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 1.955 -0.000 1.165) 2.276 0.951 ( -1.171 0.000 4.630) 4.776 1.093 ( 4.540 -0.000 7.427) 8.705 1.161 ( -0.752 0.000 -3.956) 4.027 1.277 ( 0.254 -0.000 0.727) 0.770 1.411 ( 2.881 -0.000 0.367) 2.905 1.970 ( -2.434 0.000 0.047) 2.434 2.003 ( -1.185 0.000 3.917) 4.092 2.659 ( 5.577 -0.000 -17.359) 18.233 2.688 ( 5.855 -0.000 -10.538) 12.056 2.997 ( -4.976 0.000 15.052) 15.854 3.078 ( -14.650 0.000 33.718) 36.763 3.764 ( 4.782 -0.000 -8.877) 10.083 4.696 ( -0.978 0.000 1.777) 2.028 4.797 ( 0.262 -0.000 0.410) 0.487 5.297 ( 13.286 -0.000 -30.858) 33.596 8.432 ( -0.936 0.000 2.016) 2.223 8.480 ( -0.511 0.000 -0.570) 0.766 9.304 ( -3.378 0.000 9.933) 10.492 9.378 ( -11.128 0.000 10.161) 15.070 10.274 ( -2.213 0.000 6.450) 6.819 10.367 ( 1.628 -0.000 0.172) 1.637 10.766 ( -2.161 0.000 -4.866) 5.324 11.266 ( 3.592 -0.000 -7.314) 8.148 ======================= Grid point 212 (103/165) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.119 2.008 1.010) 2.251 0.964 ( 0.503 -1.571 0.907) 1.882 1.142 ( 0.738 0.090 0.729) 1.042 1.244 ( 0.570 -2.963 2.984) 4.244 1.265 ( 2.874 2.673 2.783) 4.811 1.496 ( 4.473 -4.791 -1.522) 6.729 1.903 ( -3.308 3.897 0.654) 5.153 2.007 ( -2.643 -2.290 2.652) 4.389 2.640 ( 6.594 0.485 -15.390) 16.750 2.698 ( 4.816 0.362 -11.613) 12.577 3.009 ( -6.441 0.261 14.874) 16.210 3.067 ( -15.543 -0.334 33.727) 37.137 3.787 ( 5.587 0.501 -8.580) 10.251 4.702 ( 0.303 0.455 1.798) 1.880 4.805 ( -0.320 -1.320 0.040) 1.359 5.298 ( 12.973 -0.102 -30.420) 33.071 8.427 ( -1.354 -0.156 1.793) 2.252 8.468 ( -0.325 0.038 -0.615) 0.697 9.290 ( -6.088 1.577 11.923) 13.480 9.329 ( -5.343 -1.785 11.462) 12.771 10.284 ( -2.885 -0.417 7.735) 8.266 10.417 ( 3.962 0.557 0.762) 4.072 10.692 ( -1.714 0.117 -5.817) 6.065 11.253 ( 2.057 0.611 -8.343) 8.614 ======================= Grid point 213 (104/165) ======================= q-point: (-0.62 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.429 4.328 1.975) 4.777 0.993 ( 0.280 -0.218 0.366) 0.510 1.164 ( -0.645 -1.252 -0.301) 1.441 1.201 ( -1.468 0.956 1.179) 2.112 1.397 ( 4.772 -1.804 4.748) 6.970 1.609 ( 3.567 -5.279 -3.550) 7.293 1.792 ( -4.324 5.721 1.627) 7.353 2.002 ( -2.719 -2.820 1.160) 4.085 2.648 ( 6.597 0.818 -12.345) 14.021 2.677 ( 4.496 0.434 -13.361) 14.103 2.989 ( -8.950 0.210 16.925) 19.147 3.054 ( -15.066 -0.717 32.946) 36.234 3.814 ( 5.913 1.348 -8.503) 10.444 4.717 ( 0.840 1.074 1.569) 2.079 4.815 ( -0.566 -1.970 0.036) 2.050 5.297 ( 12.663 -0.059 -30.132) 32.685 8.416 ( -1.548 -0.372 1.452) 2.155 8.463 ( 0.150 -0.084 -0.316) 0.360 9.276 ( -4.031 1.216 10.729) 11.526 9.362 ( -3.756 -3.290 12.723) 13.668 10.297 ( -3.324 -0.652 9.020) 9.635 10.485 ( 4.333 2.362 0.700) 4.984 10.633 ( -0.323 -1.312 -5.499) 5.662 11.207 ( 1.220 0.925 -9.555) 9.676 ======================= Grid point 214 (105/165) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.204 5.620 2.663) 6.222 0.969 ( -2.456 1.913 1.418) 3.421 1.125 ( -1.401 0.167 -2.128) 2.553 1.223 ( -0.716 -1.660 3.594) 4.023 1.516 ( 3.202 -0.945 3.763) 5.030 1.614 ( -1.145 5.095 -0.659) 5.263 1.725 ( -0.862 -2.898 -1.587) 3.414 1.988 ( -2.499 -2.238 0.235) 3.363 2.628 ( 3.911 1.095 -12.874) 13.499 2.693 ( 7.096 -0.221 -10.894) 13.003 2.959 ( -8.916 -0.703 16.419) 18.697 3.048 ( -15.180 -0.396 34.371) 37.575 3.833 ( 5.739 2.007 -8.707) 10.620 4.729 ( 0.563 0.925 1.214) 1.627 4.821 ( -0.823 -0.915 0.350) 1.280 5.292 ( 12.546 0.080 -30.077) 32.589 8.405 ( -1.376 -0.439 1.172) 1.860 8.471 ( 0.617 -0.239 0.069) 0.665 9.270 ( -3.645 0.997 8.722) 9.506 9.462 ( -0.980 -6.405 11.570) 13.261 10.319 ( -3.330 -1.113 10.106) 10.699 10.486 ( -0.274 2.615 -1.565) 3.060 10.659 ( 4.514 -1.034 -2.233) 5.141 11.144 ( 1.202 0.632 -10.429) 10.517 ======================= Grid point 215 (106/165) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.454 5.959 3.750) 7.056 0.914 ( -3.378 2.896 5.284) 6.908 1.093 ( -0.672 1.207 -0.272) 1.408 1.234 ( -2.178 -1.506 1.090) 2.864 1.491 ( -1.494 7.318 1.710) 7.662 1.611 ( 0.033 0.411 2.113) 2.153 1.739 ( 0.034 -3.707 -1.344) 3.943 1.977 ( -1.069 -1.758 0.343) 2.086 2.594 ( 4.682 0.979 -13.043) 13.893 2.737 ( 6.743 -0.289 -10.895) 12.817 2.944 ( -7.452 -1.545 14.305) 16.203 3.047 ( -15.695 -0.097 37.078) 40.263 3.836 ( 4.734 2.113 -9.238) 10.593 4.736 ( 0.358 0.622 1.201) 1.399 4.808 ( -1.245 0.883 0.856) 1.750 5.287 ( 12.827 0.176 -30.238) 32.847 8.398 ( -0.818 -0.371 1.171) 1.476 8.486 ( 0.638 -0.169 0.157) 0.678 9.261 ( -3.793 0.425 8.352) 9.183 9.607 ( 0.324 -9.237 5.410) 10.710 10.346 ( -4.236 -1.983 8.344) 9.566 10.442 ( -0.449 1.952 0.591) 2.088 10.729 ( 3.678 0.163 -0.742) 3.756 11.100 ( 3.152 -0.513 -10.201) 10.690 ======================= Grid point 216 (107/165) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.873 5.384 6.194) 8.253 0.876 ( -3.221 4.575 10.017) 11.474 1.071 ( 0.021 2.274 0.667) 2.370 1.212 ( -1.524 -1.873 -1.528) 2.858 1.406 ( -1.900 6.396 2.329) 7.067 1.552 ( -4.014 1.950 -3.288) 5.543 1.803 ( 1.953 -2.427 4.108) 5.156 1.997 ( 0.326 -1.403 1.164) 1.852 2.586 ( 6.603 0.508 -13.262) 14.823 2.759 ( 5.792 -0.112 -13.536) 14.723 2.941 ( -6.919 -1.177 14.498) 16.108 3.055 ( -15.616 -0.309 37.718) 40.824 3.815 ( 3.242 1.653 -9.729) 10.388 4.748 ( 0.682 0.773 1.493) 1.814 4.778 ( -1.507 1.822 1.436) 2.766 5.286 ( 13.343 0.195 -30.599) 33.382 8.403 ( -0.181 -0.292 1.471) 1.510 8.495 ( 0.283 -0.062 0.036) 0.292 9.257 ( -3.762 -0.165 8.687) 9.468 9.703 ( -2.821 -8.793 -1.199) 9.312 10.316 ( -4.815 -0.347 3.818) 6.155 10.446 ( -0.167 1.366 2.122) 2.529 10.770 ( 0.556 -2.340 1.232) 2.702 11.125 ( 6.329 -1.234 -8.710) 10.837 ======================= Grid point 217 (108/165) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.411 4.112 7.253) 8.456 0.856 ( -1.947 5.179 11.891) 13.115 1.054 ( 0.001 2.481 0.689) 2.575 1.212 ( 0.140 -2.397 -1.629) 2.901 1.329 ( -2.343 3.911 1.204) 4.715 1.433 ( -2.743 3.124 -3.149) 5.215 1.894 ( 2.029 -1.969 4.193) 5.057 2.018 ( -0.314 -0.278 1.568) 1.623 2.613 ( 7.795 -0.182 -13.109) 15.253 2.741 ( 4.930 -0.059 -16.127) 16.864 2.947 ( -6.353 -0.529 15.987) 17.211 3.066 ( -15.131 -0.221 36.308) 39.336 3.780 ( 2.740 0.835 -9.682) 10.097 4.740 ( -2.071 1.110 1.920) 3.034 4.769 ( 1.407 1.333 1.268) 2.316 5.290 ( 13.652 0.168 -30.971) 33.847 8.417 ( -0.020 -0.177 1.817) 1.826 8.497 ( -0.114 -0.071 -0.126) 0.184 9.265 ( -3.483 -0.620 9.269) 9.921 9.665 ( -8.769 -5.094 -1.468) 10.247 10.276 ( -3.099 0.485 4.735) 5.680 10.410 ( -1.751 1.940 -1.009) 2.802 10.819 ( -0.609 -4.358 0.576) 4.438 11.188 ( 6.454 -0.677 -7.786) 10.135 ======================= Grid point 220 (109/165) ======================= q-point: (-0.75 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 1.497 -0.000 2.813) 3.186 0.963 ( 1.163 -0.000 0.436) 1.242 1.156 ( 0.444 -0.000 1.546) 1.609 1.197 ( -3.811 0.000 -1.455) 4.079 1.395 ( 4.733 -0.000 6.087) 7.710 1.528 ( 5.201 -0.000 -4.807) 7.082 1.884 ( -2.426 0.000 -0.104) 2.428 1.946 ( -4.609 0.000 3.058) 5.531 2.656 ( 7.254 -0.000 -13.265) 15.119 2.683 ( 3.784 -0.000 -13.109) 13.645 2.994 ( -7.251 0.000 12.534) 14.480 3.043 ( -16.884 0.000 37.065) 40.729 3.829 ( 6.170 -0.000 -8.498) 10.502 4.737 ( 1.555 -0.000 1.905) 2.459 4.785 ( -0.897 0.000 -0.231) 0.926 5.296 ( 12.713 -0.000 -30.022) 32.603 8.412 ( -1.622 0.000 1.574) 2.260 8.462 ( 0.033 -0.000 -0.362) 0.363 9.299 ( -5.095 0.000 15.182) 16.014 9.317 ( -4.038 0.000 8.861) 9.737 10.290 ( -3.194 0.000 8.795) 9.357 10.514 ( 6.438 -0.000 0.166) 6.440 10.616 ( -2.134 0.000 -5.594) 5.987 11.217 ( 0.858 -0.000 -9.132) 9.172 ======================= Grid point 222 (110/165) ======================= q-point: (-0.62 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 2.561 5.185 2.260) 6.209 1.008 ( 0.398 1.053 0.852) 1.411 1.108 ( -3.413 -0.634 -2.556) 4.311 1.192 ( -0.924 -2.008 4.695) 5.190 1.500 ( 4.118 0.214 3.582) 5.462 1.591 ( 4.004 -3.259 -5.749) 7.726 1.799 ( -3.584 5.919 1.563) 7.093 1.922 ( -3.278 -4.063 1.055) 5.327 2.644 ( 3.509 0.420 -12.942) 13.416 2.692 ( 7.203 0.022 -11.014) 13.160 2.952 ( -8.144 -0.042 12.701) 15.088 3.037 ( -16.389 -0.446 38.009) 41.395 3.866 ( 6.051 0.928 -8.899) 10.802 4.754 ( 0.183 1.498 0.793) 1.705 4.792 ( 0.337 -1.686 0.988) 1.983 5.293 ( 12.540 0.035 -29.835) 32.363 8.398 ( -1.398 -0.196 1.387) 1.979 8.466 ( 0.465 -0.177 0.009) 0.498 9.295 ( -4.210 1.387 8.992) 10.025 9.358 ( -3.525 -3.381 13.506) 14.362 10.304 ( -3.402 -0.355 9.742) 10.325 10.534 ( -1.454 1.610 -3.734) 4.318 10.636 ( 6.871 -0.906 -1.671) 7.129 11.155 ( 0.339 0.308 -9.899) 9.909 ======================= Grid point 223 (111/165) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.554 6.002 -0.698) 6.067 0.984 ( 0.700 4.619 5.075) 6.898 1.082 ( -0.552 -1.838 -1.363) 2.354 1.220 ( -1.912 -0.649 4.736) 5.148 1.581 ( 2.102 0.161 1.289) 2.471 1.635 ( 2.778 -0.726 -2.881) 4.068 1.695 ( -3.042 3.707 1.766) 5.110 1.922 ( -1.605 -3.669 -0.386) 4.023 2.614 ( 4.314 0.818 -11.874) 12.660 2.734 ( 6.702 -0.059 -10.560) 12.507 2.916 ( -7.637 -0.971 13.596) 15.624 3.043 ( -16.091 -0.258 38.392) 41.629 3.879 ( 4.875 1.722 -9.655) 10.952 4.751 ( 0.251 0.686 1.012) 1.248 4.815 ( -0.092 -0.164 1.238) 1.253 5.289 ( 12.670 0.094 -29.838) 32.417 8.391 ( -0.805 -0.288 1.322) 1.574 8.479 ( 0.606 -0.366 0.139) 0.722 9.273 ( -4.395 0.673 8.125) 9.262 9.441 ( -3.334 -6.086 11.067) 13.063 10.318 ( -4.117 -0.778 9.403) 10.294 10.480 ( -0.399 1.547 -1.052) 1.913 10.734 ( 5.395 0.197 -2.969) 6.161 11.092 ( 1.585 -0.228 -10.124) 10.250 ======================= Grid point 224 (112/165) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 1.254 4.405 2.023) 5.007 0.984 ( 0.203 6.645 7.745) 10.207 1.089 ( 0.538 -1.027 -0.828) 1.425 1.208 ( -1.375 1.375 1.513) 2.464 1.551 ( -0.635 6.725 0.322) 6.762 1.589 ( -4.099 2.173 0.116) 4.641 1.739 ( 2.689 -3.581 2.533) 5.145 1.949 ( 1.095 -3.325 -0.881) 3.610 2.602 ( 5.519 1.052 -11.635) 12.920 2.756 ( 5.596 -0.170 -13.038) 14.189 2.914 ( -6.564 -1.289 15.350) 16.745 3.052 ( -16.002 -0.097 38.545) 41.735 3.854 ( 3.079 1.947 -10.197) 10.828 4.765 ( 1.038 0.787 1.592) 2.057 4.808 ( -1.048 1.009 1.166) 1.864 5.290 ( 13.106 0.130 -30.079) 32.811 8.396 ( -0.141 -0.312 1.482) 1.521 8.491 ( 0.291 -0.321 -0.065) 0.438 9.254 ( -4.384 -0.082 8.282) 9.371 9.515 ( -5.039 -8.250 7.079) 11.982 10.308 ( -4.547 -0.353 6.868) 8.244 10.480 ( 1.045 1.669 2.177) 2.935 10.749 ( -0.005 0.077 -3.759) 3.759 11.095 ( 5.853 -1.526 -9.097) 10.924 ======================= Grid point 225 (113/165) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 2.395 4.783 3.575) 6.434 0.967 ( -1.431 5.663 9.534) 11.181 1.105 ( 1.297 0.714 -0.857) 1.711 1.186 ( 0.287 1.210 -0.397) 1.305 1.440 ( -4.677 6.241 0.795) 7.840 1.508 ( -0.583 4.231 -0.496) 4.300 1.834 ( 1.049 -3.711 3.606) 5.279 2.001 ( 1.772 -1.607 0.100) 2.394 2.612 ( 6.502 0.237 -12.103) 13.741 2.739 ( 4.654 -0.222 -15.598) 16.279 2.935 ( -6.060 -0.518 17.083) 18.133 3.062 ( -15.398 -0.185 37.256) 40.313 3.805 ( 2.231 1.496 -10.076) 10.428 4.767 ( -1.931 1.403 1.891) 3.045 4.800 ( 1.511 1.339 0.914) 2.216 5.294 ( 13.490 0.186 -30.509) 33.359 8.412 ( 0.148 -0.252 1.742) 1.767 8.494 ( -0.119 -0.233 -0.325) 0.417 9.248 ( -4.144 -0.850 8.871) 9.828 9.530 ( -8.071 -7.187 5.130) 11.963 10.286 ( -3.350 0.364 6.354) 7.192 10.465 ( -1.222 3.165 -0.543) 3.436 10.735 ( -0.463 -3.222 -1.234) 3.481 11.162 ( 6.802 -1.707 -8.602) 11.099 ======================= Grid point 226 (114/165) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 1.148 4.764 3.386) 5.956 0.980 ( 0.725 4.146 8.810) 9.764 1.078 ( -1.339 2.988 -0.834) 3.379 1.191 ( 0.573 -1.238 -0.819) 1.591 1.319 ( -2.065 3.970 -1.489) 4.716 1.477 ( 2.072 5.744 2.542) 6.614 1.894 ( -1.516 -4.115 2.544) 5.070 2.034 ( 0.964 0.650 1.244) 1.703 2.635 ( 6.123 -0.929 -12.677) 14.109 2.704 ( 5.025 -0.042 -16.241) 17.001 2.964 ( -5.851 -0.106 17.838) 18.773 3.073 ( -14.398 -0.146 34.946) 37.796 3.765 ( 2.998 0.547 -9.547) 10.021 4.726 ( -2.387 1.138 1.744) 3.168 4.817 ( 1.357 1.651 0.708) 2.252 5.299 ( 13.510 0.254 -30.844) 33.674 8.427 ( -0.168 -0.059 1.905) 1.913 8.489 ( -0.385 -0.208 -0.522) 0.681 9.260 ( -3.898 -1.493 9.529) 10.403 9.472 ( -10.002 -3.414 7.020) 12.688 10.281 ( -2.387 0.661 6.808) 7.245 10.395 ( -1.716 2.305 -1.176) 3.105 10.760 ( -0.331 -3.495 -2.288) 4.191 11.221 ( 5.471 -1.360 -8.272) 10.011 ======================= Grid point 230 (115/165) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -2.892 0.000 -2.698) 3.955 1.034 ( 0.280 -0.000 2.353) 2.370 1.084 ( 5.538 -0.000 0.406) 5.553 1.193 ( -3.044 0.000 7.713) 8.292 1.577 ( 2.418 -0.000 1.895) 3.073 1.606 ( 4.494 -0.000 -5.276) 6.931 1.800 ( -2.649 0.000 0.889) 2.794 1.839 ( -2.711 0.000 0.514) 2.760 2.623 ( 4.312 -0.000 -11.306) 12.100 2.734 ( 6.801 -0.000 -10.892) 12.841 2.906 ( -7.684 0.000 12.780) 14.912 3.039 ( -16.461 0.000 39.796) 43.066 3.898 ( 4.950 -0.000 -9.890) 11.060 4.760 ( -0.126 0.000 0.887) 0.896 4.810 ( 0.653 -0.000 1.569) 1.699 5.290 ( 12.601 -0.000 -29.701) 32.263 8.388 ( -0.791 0.000 1.378) 1.589 8.475 ( 0.582 -0.000 0.134) 0.598 9.283 ( -4.959 0.000 7.816) 9.257 9.373 ( -4.179 0.000 12.942) 13.600 10.310 ( -3.975 0.000 9.415) 10.220 10.498 ( -0.390 0.000 -1.682) 1.727 10.736 ( 6.141 -0.000 -3.390) 7.015 11.090 ( 0.868 -0.000 -10.040) 10.077 ======================= Grid point 232 (116/165) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.085 1.639 0.167) 1.650 1.058 ( 0.097 -1.292 0.760) 1.503 1.131 ( 1.118 6.340 4.977) 8.137 1.216 ( 0.033 -1.562 3.161) 3.526 1.605 ( 0.289 1.087 -0.384) 1.188 1.666 ( 3.373 -2.420 -0.048) 4.152 1.718 ( -1.824 6.903 1.063) 7.218 1.856 ( 0.337 -5.544 -1.292) 5.702 2.624 ( 5.083 0.749 -10.160) 11.385 2.751 ( 5.533 -0.194 -13.903) 14.965 2.893 ( -6.389 -0.549 16.360) 17.572 3.050 ( -16.384 -0.045 39.676) 42.926 3.886 ( 2.993 0.892 -10.657) 11.105 4.777 ( 1.204 0.331 1.693) 2.104 4.820 ( -0.725 0.205 1.329) 1.528 5.291 ( 12.939 0.030 -29.734) 32.428 8.391 ( -0.091 -0.133 1.483) 1.491 8.485 ( 0.353 -0.230 -0.082) 0.429 9.254 ( -5.007 0.031 7.931) 9.379 9.393 ( -5.918 -3.125 11.193) 13.041 10.303 ( -4.275 -0.119 7.929) 9.009 10.507 ( 1.804 0.781 1.425) 2.428 10.757 ( -0.088 0.328 -5.600) 5.610 11.070 ( 5.203 -0.691 -9.390) 10.757 ======================= Grid point 233 (117/165) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 1.958 1.862 2.478) 3.666 1.079 ( 0.536 -1.113 0.295) 1.270 1.099 ( -1.412 5.303 5.837) 8.012 1.239 ( 1.315 2.147 0.017) 2.518 1.543 ( -4.629 3.739 -0.519) 5.973 1.639 ( 1.828 7.774 0.535) 8.005 1.746 ( 0.167 -4.287 2.927) 5.193 1.940 ( 3.558 -4.458 -0.654) 5.742 2.626 ( 5.178 1.089 -10.572) 11.822 2.730 ( 4.252 -0.679 -15.445) 16.034 2.927 ( -5.134 -0.224 17.618) 18.352 3.059 ( -16.146 -0.083 38.747) 41.977 3.835 ( 1.782 1.242 -10.647) 10.866 4.794 ( -1.540 1.137 1.753) 2.596 4.818 ( 1.362 0.384 1.190) 1.849 5.297 ( 13.326 0.079 -30.022) 32.847 8.407 ( 0.337 -0.176 1.661) 1.704 8.488 ( -0.047 -0.295 -0.466) 0.554 9.233 ( -4.719 -0.579 8.406) 9.658 9.399 ( -7.308 -4.764 10.216) 13.434 10.291 ( -3.622 0.109 7.612) 8.431 10.531 ( 0.791 2.918 0.256) 3.034 10.687 ( -2.118 -1.574 -4.243) 4.997 11.126 ( 7.109 -1.478 -9.244) 11.755 ======================= Grid point 234 (118/165) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.335 2.608 1.591) 3.334 1.070 ( -0.133 4.918 6.288) 7.984 1.109 ( 1.172 -0.669 -1.037) 1.701 1.209 ( -1.648 3.296 0.088) 3.686 1.407 ( -4.019 3.984 -1.218) 5.788 1.617 ( 3.238 7.039 1.682) 7.928 1.797 ( -2.237 -4.596 3.110) 5.983 2.029 ( 2.843 -1.434 0.651) 3.250 2.624 ( 4.960 0.038 -12.125) 13.101 2.697 ( 4.632 -0.678 -15.738) 16.419 2.967 ( -5.780 0.397 18.854) 19.724 3.068 ( -15.027 -0.295 36.252) 39.244 3.780 ( 2.184 0.798 -10.116) 10.380 4.754 ( -2.614 1.370 1.600) 3.357 4.846 ( 1.427 0.967 0.852) 1.922 5.304 ( 13.431 0.202 -30.432) 33.265 8.426 ( 0.200 -0.046 1.739) 1.751 8.483 ( -0.314 -0.294 -0.752) 0.866 9.229 ( -4.379 -1.284 9.169) 10.242 9.393 ( -7.588 -3.813 10.591) 13.575 10.290 ( -2.984 0.226 8.101) 8.636 10.458 ( -2.711 3.580 -2.113) 4.963 10.693 ( 1.140 -2.838 -2.192) 3.763 11.187 ( 5.981 -1.692 -9.468) 11.326 ======================= Grid point 235 (119/165) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -1.438 3.937 -0.794) 4.266 1.033 ( -2.801 3.563 0.501) 4.560 1.108 ( 1.522 2.032 4.448) 5.121 1.181 ( 0.093 -0.651 0.135) 0.672 1.339 ( 0.119 3.052 0.293) 3.068 1.618 ( 3.354 5.915 1.436) 6.950 1.812 ( -3.743 -4.222 2.720) 6.264 2.067 ( 0.652 0.889 1.022) 1.504 2.619 ( 5.121 -0.923 -13.755) 14.706 2.680 ( 5.313 -0.809 -14.133) 15.120 2.995 ( -7.087 0.325 19.802) 21.035 3.078 ( -13.813 -0.202 32.814) 35.603 3.755 ( 3.623 -0.195 -9.432) 10.106 4.711 ( -2.052 0.993 1.630) 2.802 4.854 ( 0.575 1.469 0.379) 1.622 5.306 ( 13.210 0.314 -30.643) 33.371 8.437 ( -0.399 0.206 1.686) 1.745 8.474 ( -0.351 -0.263 -0.808) 0.920 9.241 ( -4.340 -1.718 9.911) 10.955 9.378 ( -6.514 -0.963 11.813) 13.525 10.299 ( -2.961 0.457 8.816) 9.311 10.384 ( -1.015 1.440 -0.718) 1.902 10.713 ( 0.822 -1.582 -4.273) 4.630 11.224 ( 4.267 -1.674 -9.366) 10.427 ======================= Grid point 240 (120/165) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 2.484 0.000 1.311) 2.809 1.056 ( -0.211 0.000 0.700) 0.731 1.172 ( -2.847 0.000 6.009) 6.649 1.256 ( 2.143 0.000 0.135) 2.148 1.607 ( -1.964 0.000 0.912) 2.165 1.658 ( -2.598 -0.000 -0.849) 2.733 1.812 ( 4.581 -0.000 -2.970) 5.460 1.818 ( 2.913 0.000 3.851) 4.829 2.643 ( 4.761 0.000 -9.505) 10.630 2.719 ( 3.948 0.000 -15.758) 16.245 2.925 ( -4.529 0.000 17.560) 18.135 3.058 ( -16.611 0.000 39.596) 42.939 3.849 ( 1.607 0.000 -10.931) 11.049 4.809 ( -1.876 0.000 1.329) 2.299 4.819 ( 1.802 0.000 1.797) 2.545 5.298 ( 13.259 0.000 -29.817) 32.632 8.405 ( 0.422 0.000 1.622) 1.676 8.484 ( 0.008 0.000 -0.497) 0.497 9.227 ( -4.902 0.000 8.186) 9.542 9.348 ( -7.053 0.000 11.846) 13.787 10.292 ( -3.710 0.000 7.986) 8.806 10.567 ( 3.154 0.000 1.479) 3.483 10.668 ( -4.435 0.000 -6.285) 7.692 11.109 ( 7.246 0.000 -9.502) 11.949 ======================= Grid point 242 (121/165) ======================= q-point: (-0.38 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.648 1.298 0.813) 1.663 1.077 ( 1.912 -1.542 0.198) 2.464 1.169 ( 0.348 3.282 4.566) 5.635 1.264 ( -0.723 1.045 0.786) 1.494 1.499 ( -5.793 5.505 -0.816) 8.033 1.627 ( -4.089 -5.809 -1.384) 7.237 1.828 ( 4.402 6.928 2.984) 8.733 1.963 ( 4.284 -4.927 1.379) 6.674 2.637 ( 3.926 1.036 -10.881) 11.614 2.676 ( 4.304 -1.104 -15.801) 16.413 2.977 ( -4.650 0.365 17.761) 18.364 3.062 ( -16.418 -0.235 38.642) 41.986 3.794 ( 1.628 0.394 -10.644) 10.776 4.776 ( -2.608 0.647 1.424) 3.042 4.857 ( 1.329 0.203 1.240) 1.829 5.307 ( 13.380 0.064 -30.116) 32.954 8.426 ( 0.475 -0.014 1.609) 1.678 8.478 ( -0.232 -0.155 -0.880) 0.923 9.211 ( -4.370 -0.417 8.778) 9.815 9.331 ( -6.392 -1.701 12.780) 14.390 10.292 ( -3.386 0.022 8.667) 9.305 10.529 ( -4.091 2.669 -3.946) 6.279 10.641 ( 2.608 -1.965 -0.982) 3.410 11.160 ( 6.437 -0.769 -10.197) 12.083 ======================= Grid point 243 (122/165) ======================= q-point: (-0.25 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.035 0.364 -0.424) 1.177 1.098 ( -0.448 1.930 -1.626) 2.563 1.180 ( 1.430 4.431 1.885) 5.023 1.213 ( -2.206 3.884 2.961) 5.359 1.377 ( -2.304 1.090 0.908) 2.706 1.605 ( -5.093 -6.520 -0.787) 8.311 1.846 ( 2.928 6.464 3.267) 7.812 2.061 ( 1.872 -1.825 0.934) 2.776 2.612 ( 4.421 0.312 -12.638) 13.393 2.658 ( 4.960 -1.230 -14.484) 15.359 3.008 ( -7.147 0.897 20.195) 21.441 3.069 ( -14.577 -0.640 34.471) 37.432 3.753 ( 2.836 -0.009 -10.063) 10.455 4.734 ( -2.476 0.984 1.530) 3.073 4.875 ( 0.449 0.524 0.561) 0.890 5.311 ( 13.172 0.195 -30.449) 33.176 8.441 ( 0.013 0.169 1.410) 1.420 8.469 ( -0.229 -0.235 -0.975) 1.029 9.214 ( -3.874 -0.809 9.525) 10.314 9.351 ( -4.542 -1.390 13.359) 14.179 10.301 ( -3.296 -0.113 9.352) 9.916 10.422 ( -2.801 1.854 -1.777) 3.800 10.687 ( 2.400 -0.871 -2.952) 3.903 11.191 ( 4.892 -1.255 -10.577) 11.721 ======================= Grid point 244 (123/165) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -6.090 4.207 -1.200) 7.498 1.031 ( -1.770 1.364 0.228) 2.246 1.148 ( -0.028 0.646 -0.812) 1.038 1.222 ( 0.973 2.569 3.782) 4.674 1.391 ( 2.384 1.284 2.895) 3.964 1.585 ( -5.178 -7.539 -0.399) 9.155 1.835 ( 1.417 6.113 1.424) 6.435 2.081 ( -0.721 0.452 0.524) 0.999 2.605 ( 5.096 -0.657 -11.788) 12.860 2.660 ( 5.945 -1.083 -14.179) 15.413 3.011 ( -9.568 0.712 22.135) 24.125 3.074 ( -13.289 -0.384 30.205) 33.001 3.748 ( 4.352 -0.880 -9.287) 10.294 4.703 ( -1.298 0.633 1.637) 2.183 4.870 ( -0.373 0.842 0.068) 0.924 5.307 ( 12.793 0.251 -30.577) 33.146 8.441 ( -0.734 0.398 1.131) 1.406 8.463 ( 0.011 -0.191 -0.654) 0.681 9.232 ( -3.543 -0.947 9.812) 10.475 9.394 ( -2.269 0.780 13.262) 13.477 10.314 ( -3.703 0.233 9.933) 10.604 10.383 ( 0.370 -0.043 0.251) 0.449 10.693 ( 1.287 0.390 -4.622) 4.814 11.199 ( 3.375 -1.455 -10.578) 11.199 ======================= Grid point 250 (124/165) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.392 0.000 -0.993) 1.709 1.115 ( 1.582 -0.000 -0.118) 1.586 1.246 ( 3.576 -0.000 1.135) 3.752 1.260 ( -1.612 0.000 3.390) 3.754 1.437 ( -5.831 0.000 -2.662) 6.410 1.466 ( -7.899 0.000 2.536) 8.296 1.958 ( 3.483 -0.000 -1.099) 3.652 2.004 ( 2.525 -0.000 3.895) 4.642 2.626 ( 2.644 -0.000 -9.786) 10.137 2.636 ( 6.204 -0.000 -16.829) 17.937 3.022 ( -5.267 0.000 16.689) 17.500 3.059 ( -16.794 0.000 38.716) 42.201 3.753 ( 2.522 -0.000 -10.378) 10.680 4.745 ( -2.607 0.000 1.483) 2.999 4.879 ( 0.348 -0.000 0.685) 0.768 5.313 ( 13.160 -0.000 -30.360) 33.089 8.443 ( 0.199 -0.000 1.303) 1.318 8.466 ( -0.180 0.000 -1.063) 1.078 9.207 ( -3.617 0.000 9.201) 9.886 9.334 ( -3.852 0.000 14.143) 14.658 10.300 ( -3.472 0.000 9.387) 10.008 10.444 ( -3.500 0.000 -2.634) 4.381 10.677 ( 3.030 -0.000 -1.870) 3.561 11.177 ( 5.181 -0.000 -11.065) 12.218 ======================= Grid point 251 (125/165) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -3.464 0.229 -0.688) 3.539 1.089 ( -2.851 2.943 -0.695) 4.157 1.213 ( -2.874 5.759 -1.884) 6.706 1.268 ( 0.435 1.511 4.215) 4.499 1.387 ( -0.144 -3.862 1.697) 4.220 1.413 ( -4.859 -5.417 2.147) 7.587 1.956 ( 1.333 4.705 -0.799) 4.955 2.064 ( -0.165 -1.913 1.434) 2.396 2.599 ( 3.385 0.022 -10.253) 10.797 2.641 ( 7.455 -0.587 -15.298) 17.028 3.031 ( -9.174 1.112 21.504) 23.405 3.059 ( -14.202 -0.951 32.345) 35.339 3.735 ( 3.950 -0.315 -9.766) 10.539 4.715 ( -1.795 0.410 1.656) 2.476 4.879 ( -0.650 0.107 0.048) 0.661 5.311 ( 12.743 0.100 -30.619) 33.165 8.448 ( -0.453 0.226 0.833) 0.975 8.459 ( 0.115 -0.157 -0.779) 0.803 9.219 ( -3.145 -0.271 9.445) 9.958 9.401 ( -0.213 0.066 13.725) 13.727 10.312 ( -3.391 -0.195 9.878) 10.445 10.390 ( -1.080 0.373 -0.481) 1.240 10.702 ( 1.881 0.316 -2.874) 3.449 11.176 ( 3.948 -0.618 -11.466) 12.142 ======================= Grid point 252 (126/165) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -6.668 3.713 1.191) 7.725 1.004 ( -4.240 1.183 1.653) 4.702 1.125 ( -2.461 0.602 -0.691) 2.626 1.288 ( 0.824 2.415 2.842) 3.819 1.394 ( -5.520 -9.321 1.345) 10.916 1.482 ( 4.188 0.215 2.541) 4.904 1.903 ( -0.478 4.885 -2.015) 5.305 2.058 ( -2.332 -0.343 0.608) 2.434 2.596 ( 4.579 -1.092 -11.191) 12.141 2.670 ( 7.784 0.108 -13.728) 15.782 3.011 ( -10.604 1.156 22.731) 25.109 3.058 ( -13.579 -0.677 29.823) 32.776 3.752 ( 5.078 -1.003 -8.985) 10.369 4.704 ( -0.524 0.244 1.807) 1.897 4.858 ( -1.556 -0.004 -0.373) 1.600 5.301 ( 12.455 0.091 -30.691) 33.122 8.435 ( -1.151 0.405 0.625) 1.371 8.462 ( 0.474 -0.167 -0.312) 0.592 9.238 ( -3.078 -0.443 9.168) 9.681 9.511 ( 3.525 2.507 11.204) 12.010 10.330 ( -3.022 0.349 10.084) 10.533 10.397 ( 1.206 -0.925 1.052) 1.848 10.692 ( 0.539 1.262 -2.813) 3.130 11.160 ( 3.009 -0.884 -11.389) 11.813 ======================= Grid point 259 (127/165) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -5.440 0.000 0.893) 5.512 1.031 ( -6.847 0.000 1.779) 7.074 1.182 ( -8.481 0.000 1.761) 8.662 1.229 ( -0.419 0.000 -0.638) 0.763 1.316 ( 0.869 -0.000 3.030) 3.152 1.483 ( 4.170 -0.000 2.470) 4.847 1.965 ( -1.284 0.000 -3.289) 3.530 2.044 ( -2.187 0.000 1.910) 2.903 2.584 ( 4.246 -0.000 -11.273) 12.046 2.671 ( 8.448 -0.000 -13.949) 16.307 3.033 ( -7.283 0.000 14.917) 16.600 3.041 ( -17.062 0.000 38.465) 42.079 3.741 ( 4.995 -0.000 -9.188) 10.458 4.708 ( -0.812 0.000 1.948) 2.110 4.856 ( -1.864 0.000 -0.525) 1.936 5.302 ( 12.423 -0.000 -30.809) 33.219 8.440 ( -1.115 0.000 0.455) 1.204 8.459 ( 0.553 -0.000 -0.412) 0.690 9.234 ( -3.009 0.000 9.179) 9.660 9.538 ( 5.446 -0.000 10.549) 11.872 10.332 ( -2.488 0.000 10.040) 10.344 10.390 ( 0.689 -0.000 0.699) 0.981 10.707 ( 0.288 -0.000 -1.615) 1.641 11.150 ( 3.401 -0.000 -11.761) 12.243 ======================= Grid point 260 (128/165) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -7.086 2.781 4.380) 8.782 0.914 ( -9.115 -1.406 5.415) 10.695 1.083 ( -2.952 0.575 0.213) 3.015 1.269 ( -0.981 -5.433 2.260) 5.966 1.331 ( -0.121 1.344 0.957) 1.654 1.560 ( 2.961 -0.209 1.370) 3.269 1.888 ( -3.196 2.021 -3.003) 4.828 2.018 ( -2.564 -0.228 2.030) 3.278 2.579 ( 5.150 -0.673 -13.485) 14.450 2.713 ( 7.843 0.340 -12.638) 14.878 3.007 ( -8.263 0.982 16.541) 18.516 3.041 ( -15.503 -0.509 36.256) 39.435 3.768 ( 5.330 -0.612 -8.777) 10.287 4.715 ( -0.114 0.081 2.106) 2.110 4.813 ( -2.757 -0.550 -0.504) 2.857 5.289 ( 12.527 -0.025 -30.836) 33.284 8.421 ( -1.324 0.188 0.493) 1.425 8.471 ( 0.791 -0.116 0.015) 0.800 9.247 ( -3.222 -0.145 8.796) 9.369 9.704 ( 8.544 2.638 3.416) 9.573 10.371 ( -0.695 0.368 8.340) 8.377 10.416 ( 0.893 -0.139 0.655) 1.116 10.696 ( -0.579 0.632 2.363) 2.514 11.125 ( 3.483 -0.183 -11.311) 11.837 ======================= Grid point 268 (129/165) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -6.212 0.000 8.003) 10.130 0.789 ( -9.464 0.000 10.379) 14.046 1.047 ( -1.557 0.000 0.234) 1.575 1.260 ( 0.146 -0.000 2.452) 2.457 1.319 ( -1.847 0.000 -0.970) 2.086 1.584 ( -0.226 0.000 -2.329) 2.340 1.826 ( -2.796 0.000 0.846) 2.921 2.005 ( -1.350 0.000 3.462) 3.716 2.567 ( 6.094 -0.000 -14.544) 15.769 2.749 ( 6.976 -0.000 -12.871) 14.640 2.986 ( -7.475 0.000 13.661) 15.572 3.050 ( -15.320 0.000 38.157) 41.117 3.787 ( 4.673 -0.000 -9.035) 10.172 4.730 ( -0.309 0.000 2.329) 2.349 4.760 ( -2.622 0.000 0.322) 2.642 5.281 ( 13.019 -0.000 -30.923) 33.552 8.407 ( -0.812 0.000 0.885) 1.201 8.484 ( 0.721 -0.000 0.200) 0.748 9.254 ( -3.387 0.000 8.699) 9.335 9.849 ( 6.692 -0.000 -5.305) 8.540 10.387 ( -2.026 0.000 -0.109) 2.029 10.435 ( 0.298 -0.000 0.132) 0.326 10.749 ( 1.558 -0.000 9.759) 9.882 11.116 ( 4.820 -0.000 -10.131) 11.220 ======================= Grid point 269 (130/165) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -2.333 0.000 5.908) 6.352 1.011 ( 0.915 -0.000 0.200) 0.937 1.040 ( 0.857 -0.000 8.047) 8.093 1.202 ( -3.925 0.000 -6.293) 7.417 1.269 ( -0.928 0.000 2.372) 2.547 1.332 ( 2.092 -0.000 -2.924) 3.595 2.051 ( 0.689 -0.000 8.098) 8.127 2.086 ( -3.822 0.000 4.025) 5.551 2.356 ( 6.621 -0.000 -9.340) 11.448 2.413 ( 2.704 -0.000 -13.812) 14.074 3.266 ( -5.609 0.000 14.696) 15.730 3.545 ( 4.327 -0.000 -12.272) 13.013 3.831 ( -15.899 0.000 37.110) 40.372 4.571 ( 13.992 -0.000 -32.970) 35.817 4.775 ( 1.001 -0.000 0.535) 1.135 4.783 ( 0.023 -0.000 -1.791) 1.792 8.458 ( 0.023 -0.000 1.807) 1.807 8.487 ( -0.054 0.000 -1.004) 1.005 9.455 ( -1.663 0.000 8.284) 8.449 9.607 ( -1.862 0.000 -6.499) 6.761 10.342 ( -0.012 0.000 2.474) 2.474 10.371 ( -1.595 0.000 -0.742) 1.759 10.918 ( -5.974 0.000 4.145) 7.271 11.040 ( 7.286 -0.000 -7.211) 10.251 ======================= Grid point 270 (131/165) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.940 -1.152 4.251) 4.813 1.005 ( -0.901 -0.008 -1.925) 2.126 1.123 ( -0.315 -1.031 -1.575) 1.909 1.155 ( 2.927 -0.788 6.918) 7.553 1.274 ( -0.626 0.196 1.065) 1.251 1.374 ( 3.179 -4.207 -2.189) 5.709 2.033 ( -4.182 1.455 2.288) 4.984 2.104 ( -0.647 0.505 6.813) 6.862 2.364 ( 3.148 -0.126 -12.668) 13.054 2.405 ( 6.456 -0.519 -9.401) 11.416 3.286 ( -5.003 -0.276 14.745) 15.573 3.538 ( 5.188 -0.020 -11.984) 13.059 3.831 ( -15.901 -0.153 36.980) 40.254 4.567 ( 12.927 -0.257 -31.478) 34.030 4.775 ( 1.072 -0.169 -3.112) 3.296 4.799 ( 0.916 -0.969 -0.025) 1.333 8.467 ( -0.380 0.090 1.580) 1.627 8.475 ( -0.316 0.150 -1.288) 1.335 9.481 ( -2.552 1.013 9.098) 9.503 9.530 ( -2.549 0.182 -2.525) 3.592 10.356 ( -0.144 -0.481 -0.256) 0.564 10.378 ( 0.757 -1.196 3.905) 4.153 10.823 ( -7.135 1.430 3.522) 8.085 11.088 ( 5.200 1.279 -7.310) 9.062 ======================= Grid point 271 (132/165) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -2.161 0.253 0.373) 2.208 0.981 ( -0.135 -1.379 0.417) 1.447 1.145 ( 0.972 -2.602 -2.278) 3.592 1.210 ( 1.500 4.073 1.605) 4.627 1.310 ( 1.442 -3.338 4.826) 6.043 1.493 ( 3.572 -7.590 0.148) 8.390 1.944 ( -4.444 3.575 0.184) 5.707 2.116 ( -1.882 0.718 4.286) 4.736 2.348 ( 4.494 -0.477 -10.000) 10.974 2.442 ( 4.717 -0.297 -8.359) 9.603 3.309 ( -5.575 -0.668 14.355) 15.414 3.545 ( 6.007 0.531 -11.703) 13.165 3.830 ( -16.041 -0.280 36.961) 40.293 4.561 ( 12.166 -0.472 -29.723) 32.120 4.776 ( 2.125 0.038 -4.438) 4.921 4.825 ( 0.656 -1.688 -0.468) 1.871 8.458 ( -0.182 0.244 -1.265) 1.301 8.466 ( -0.786 0.007 1.193) 1.429 9.458 ( -3.053 1.540 4.048) 5.299 9.510 ( -2.048 -0.086 5.395) 5.771 10.370 ( 1.245 -0.080 0.429) 1.319 10.448 ( 0.926 -2.738 5.555) 6.262 10.711 ( -6.764 1.782 3.226) 7.703 11.080 ( 3.133 2.488 -8.790) 9.657 ======================= Grid point 272 (133/165) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -1.994 0.800 -0.230) 2.161 1.010 ( 0.096 -1.381 1.534) 2.066 1.128 ( 0.455 1.853 -3.986) 4.419 1.240 ( 1.012 -1.151 3.012) 3.380 1.415 ( 2.811 -3.537 3.617) 5.788 1.609 ( 0.771 -5.071 -0.346) 5.141 1.824 ( -3.695 4.256 -0.416) 5.651 2.098 ( -2.167 0.153 2.160) 3.063 2.377 ( 5.631 -0.417 -7.771) 9.605 2.447 ( 2.567 0.168 -7.200) 7.646 3.314 ( -6.860 -1.021 13.853) 15.492 3.558 ( 6.479 1.287 -11.433) 13.204 3.829 ( -16.137 -0.323 37.196) 40.547 4.560 ( 12.285 -0.404 -29.080) 31.571 4.778 ( 2.028 0.130 -4.760) 5.175 4.848 ( 0.575 -1.415 -0.707) 1.683 8.448 ( 0.228 0.179 -0.789) 0.840 8.458 ( -0.977 -0.143 0.706) 1.214 9.429 ( -2.567 1.293 4.921) 5.699 9.521 ( -0.926 -0.623 4.108) 4.257 10.400 ( 1.801 0.528 1.155) 2.204 10.542 ( 0.947 -3.935 6.450) 7.615 10.611 ( -5.716 1.720 3.483) 6.911 11.024 ( 2.136 2.831 -10.636) 11.212 ======================= Grid point 273 (134/165) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.717 0.071 1.156) 2.071 1.025 ( -1.206 -0.504 2.504) 2.825 1.094 ( 0.220 0.907 -3.025) 3.166 1.280 ( 0.015 -1.272 1.617) 2.058 1.526 ( 3.354 -2.610 3.178) 5.307 1.573 ( -2.907 5.031 -1.452) 5.989 1.777 ( -1.143 -2.348 -0.161) 2.616 2.076 ( -2.403 -0.687 2.118) 3.277 2.422 ( 2.844 0.448 -8.067) 8.565 2.426 ( 4.429 0.315 -6.037) 7.494 3.302 ( -7.740 -1.403 13.810) 15.893 3.572 ( 6.730 1.713 -11.312) 13.274 3.830 ( -16.148 -0.193 37.587) 40.909 4.563 ( 12.943 -0.086 -29.942) 32.620 4.773 ( 1.099 -0.072 -3.679) 3.840 4.859 ( 0.340 -0.121 -0.932) 0.999 8.442 ( -1.058 -0.112 0.551) 1.199 8.456 ( 0.740 -0.009 -0.423) 0.853 9.413 ( -2.441 0.853 5.377) 5.966 9.556 ( 1.646 -1.782 0.584) 2.495 10.428 ( 0.994 0.650 0.958) 1.526 10.536 ( -3.475 1.561 2.696) 4.667 10.653 ( 0.742 -4.292 8.152) 9.242 10.951 ( 2.055 2.248 -11.484) 11.881 ======================= Grid point 274 (135/165) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -1.497 -0.911 3.363) 3.792 1.022 ( -2.518 -0.629 4.123) 4.872 1.069 ( -0.070 1.008 -1.583) 1.878 1.282 ( -1.529 -0.850 -0.927) 1.979 1.455 ( -1.959 6.800 -0.280) 7.082 1.602 ( 1.609 1.710 0.997) 2.551 1.796 ( -0.509 -4.557 1.014) 4.696 2.067 ( -2.402 -1.483 3.865) 4.786 2.379 ( 1.054 1.455 -7.133) 7.355 2.468 ( 5.680 0.340 -8.471) 10.204 3.286 ( -7.772 -1.507 14.068) 16.143 3.584 ( 6.356 1.611 -11.516) 13.252 3.831 ( -16.046 0.045 37.799) 41.064 4.565 ( 13.731 0.208 -31.556) 34.415 4.765 ( 0.114 -0.332 -1.715) 1.750 4.847 ( 0.027 1.350 -1.113) 1.750 8.430 ( -0.937 -0.167 0.842) 1.270 8.470 ( 1.064 0.030 -0.362) 1.125 9.406 ( -2.272 0.305 5.483) 5.943 9.617 ( 3.715 -2.772 -3.804) 5.996 10.420 ( -1.578 0.143 -0.781) 1.767 10.503 ( -1.263 2.320 3.811) 4.637 10.774 ( 1.930 -4.346 6.518) 8.068 10.893 ( 2.523 0.767 -9.767) 10.117 ======================= Grid point 275 (136/165) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -1.203 -1.270 5.580) 5.848 1.010 ( -2.214 0.456 3.192) 3.912 1.050 ( -0.641 2.228 2.303) 3.267 1.244 ( -2.230 -1.575 -1.865) 3.306 1.373 ( -0.601 4.675 -0.282) 4.722 1.537 ( -3.246 4.601 -3.940) 6.872 1.875 ( 1.223 -3.420 5.511) 6.600 2.085 ( -1.871 -1.923 5.458) 6.082 2.336 ( 2.410 1.547 -7.721) 8.235 2.482 ( 4.618 0.440 -10.655) 11.621 3.274 ( -7.378 -0.973 14.266) 16.090 3.583 ( 5.229 1.130 -11.986) 13.126 3.832 ( -15.897 0.177 37.574) 40.799 4.567 ( 14.351 0.268 -32.783) 35.788 4.760 ( -0.270 -0.168 -0.132) 0.344 4.822 ( -0.024 1.781 -1.024) 2.055 8.429 ( -0.319 -0.190 1.380) 1.429 8.483 ( 0.832 -0.005 -0.456) 0.948 9.409 ( -1.984 -0.012 5.866) 6.193 9.669 ( 3.402 -2.728 -7.538) 8.709 10.378 ( -2.240 0.250 -0.439) 2.296 10.474 ( -1.772 2.490 1.254) 3.304 10.886 ( 7.451 -1.268 -9.721) 12.313 10.898 ( -1.249 -3.325 7.439) 8.243 ======================= Grid point 276 (137/165) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -1.211 -1.200 6.816) 7.026 0.991 ( -1.266 2.216 4.783) 5.421 1.028 ( -0.340 2.091 1.412) 2.546 1.239 ( -1.498 -4.078 -0.280) 4.353 1.325 ( -0.440 3.482 0.303) 3.523 1.382 ( -3.838 3.898 -6.669) 8.626 1.969 ( 1.270 -1.249 7.638) 7.843 2.104 ( -2.788 -1.051 5.384) 6.153 2.326 ( 4.925 0.781 -8.665) 9.997 2.461 ( 3.420 0.260 -12.761) 13.214 3.264 ( -6.659 -0.244 14.454) 15.916 3.566 ( 4.267 0.498 -12.350) 13.076 3.832 ( -15.917 0.136 37.267) 40.524 4.571 ( 14.511 0.167 -33.318) 36.341 4.761 ( 0.359 0.267 0.590) 0.740 4.799 ( -0.131 0.906 -1.071) 1.409 8.442 ( 0.117 -0.146 1.782) 1.791 8.490 ( 0.400 -0.059 -0.686) 0.796 9.426 ( -1.622 -0.202 6.879) 7.070 9.668 ( 0.782 -1.424 -8.661) 8.812 10.344 ( -1.348 0.437 0.998) 1.733 10.418 ( -2.293 1.365 -0.618) 2.739 10.945 ( -0.671 -2.530 2.688) 3.751 10.963 ( 5.586 -0.550 -5.211) 7.659 ======================= Grid point 278 (138/165) ======================= q-point: ( 0.12 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.187 0.000 3.977) 3.981 0.981 ( -1.022 0.000 -1.170) 1.554 1.099 ( 1.814 -0.000 -2.912) 3.430 1.271 ( 0.400 -0.000 4.452) 4.470 1.301 ( 2.853 -0.000 5.860) 6.518 1.368 ( 2.887 -0.000 -3.786) 4.761 1.983 ( -3.689 0.000 0.302) 3.701 2.123 ( -3.070 0.000 6.013) 6.751 2.344 ( 4.955 -0.000 -11.046) 12.107 2.438 ( 5.443 -0.000 -9.317) 10.790 3.301 ( -5.552 0.000 14.201) 15.248 3.551 ( 6.292 -0.000 -11.559) 13.161 3.828 ( -15.965 0.000 36.825) 40.137 4.556 ( 12.255 -0.000 -29.724) 32.151 4.781 ( 2.975 -0.000 -4.652) 5.522 4.801 ( 0.035 -0.000 -0.141) 0.145 8.461 ( -0.239 0.000 -1.310) 1.331 8.466 ( -0.923 0.000 1.276) 1.575 9.476 ( -2.300 0.000 0.050) 2.300 9.507 ( -3.524 0.000 9.747) 10.365 10.372 ( 2.202 -0.000 0.246) 2.216 10.415 ( 0.529 -0.000 4.970) 4.998 10.731 ( -7.149 0.000 3.135) 7.806 11.108 ( 2.727 -0.000 -7.935) 8.391 ======================= Grid point 279 (139/165) ======================= q-point: ( 0.25 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.085 3.068 0.357) 3.089 0.989 ( 1.066 -0.714 2.814) 3.093 1.135 ( 2.379 -0.835 -1.939) 3.181 1.245 ( -1.972 0.311 0.494) 2.057 1.370 ( 3.535 1.177 1.368) 3.969 1.473 ( 2.699 -6.576 2.375) 7.494 1.911 ( -3.146 2.769 -0.417) 4.212 2.095 ( -4.459 -0.285 4.453) 6.308 2.370 ( 6.322 -0.171 -8.722) 10.773 2.449 ( 3.565 0.015 -8.762) 9.460 3.299 ( -6.850 -0.383 13.577) 15.212 3.578 ( 6.870 0.532 -11.363) 13.289 3.825 ( -15.978 -0.114 37.072) 40.369 4.555 ( 12.751 -0.110 -29.333) 31.985 4.787 ( 1.092 0.792 -2.583) 2.914 4.816 ( 1.887 -1.483 -2.234) 3.279 8.451 ( 0.140 0.054 -0.922) 0.934 8.455 ( -1.273 -0.098 0.929) 1.579 9.451 ( -1.386 0.690 2.289) 2.763 9.509 ( -3.811 -0.424 7.882) 8.765 10.419 ( 3.022 1.243 0.975) 3.410 10.472 ( 0.924 -2.562 4.322) 5.109 10.638 ( -6.432 0.711 4.508) 7.886 11.069 ( 1.177 1.233 -9.579) 9.730 ======================= Grid point 280 (140/165) ======================= q-point: ( 0.38 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.679 4.510 1.138) 4.701 1.025 ( 0.251 0.341 2.757) 2.789 1.112 ( -1.167 1.213 -3.290) 3.696 1.267 ( 0.489 -1.079 3.792) 3.972 1.446 ( 4.184 -3.822 -1.157) 5.784 1.567 ( 0.339 -3.533 0.131) 3.551 1.822 ( -2.619 4.618 1.339) 5.475 2.055 ( -4.432 -1.308 3.538) 5.820 2.424 ( 6.361 0.011 -7.783) 10.052 2.436 ( 2.437 0.283 -7.531) 7.921 3.277 ( -7.834 -0.863 13.461) 15.598 3.604 ( 7.022 1.236 -11.497) 13.528 3.827 ( -15.894 -0.092 37.633) 40.852 4.563 ( 13.475 0.054 -30.115) 32.993 4.775 ( 0.269 0.271 -2.052) 2.088 4.847 ( 1.857 -0.828 -1.709) 2.657 8.439 ( -1.374 -0.156 0.787) 1.591 8.454 ( 0.661 -0.145 -0.449) 0.812 9.437 ( -2.069 1.403 4.243) 4.925 9.516 ( -1.332 -1.958 3.573) 4.286 10.448 ( 0.972 1.239 0.437) 1.634 10.546 ( 1.995 -1.652 -2.765) 3.789 10.589 ( -4.198 -0.774 13.143) 13.819 10.994 ( 0.843 1.697 -11.045) 11.206 ======================= Grid point 281 (141/165) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.783 4.630 2.612) 5.374 1.029 ( -1.315 0.912 3.748) 4.075 1.073 ( -0.194 -0.315 -2.659) 2.685 1.288 ( -0.668 1.185 1.892) 2.330 1.550 ( -1.180 1.236 -3.493) 3.889 1.575 ( 4.960 -4.329 1.064) 6.669 1.762 ( -2.598 2.375 3.624) 5.052 2.027 ( -3.926 -2.279 3.552) 5.764 2.407 ( 2.055 1.167 -7.471) 7.836 2.476 ( 5.789 0.407 -7.510) 9.491 3.255 ( -7.739 -1.349 13.998) 16.052 3.620 ( 6.506 1.678 -11.957) 13.715 3.832 ( -15.828 0.110 38.109) 41.265 4.571 ( 13.978 0.291 -31.446) 34.414 4.764 ( 0.138 0.167 -1.073) 1.095 4.865 ( 0.989 0.294 -1.188) 1.573 8.426 ( -1.081 -0.251 0.930) 1.447 8.468 ( 0.908 -0.229 -0.315) 0.988 9.418 ( -2.478 0.885 4.951) 5.607 9.553 ( 1.018 -3.163 -0.759) 3.409 10.429 ( -1.171 0.618 -1.573) 2.056 10.548 ( -1.031 1.887 5.506) 5.911 10.685 ( 1.595 -3.937 6.837) 8.049 10.913 ( 1.232 1.074 -11.338) 11.455 ======================= Grid point 282 (142/165) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.999 3.095 4.544) 5.588 1.032 ( -0.521 1.723 4.592) 4.932 1.066 ( 0.728 -0.586 -1.324) 1.621 1.249 ( -2.525 1.988 0.020) 3.214 1.472 ( -0.717 4.269 -3.358) 5.478 1.636 ( -2.442 4.164 0.513) 4.854 1.781 ( 2.272 -5.011 4.581) 7.160 2.030 ( -2.610 -3.292 4.494) 6.152 2.375 ( 2.680 2.101 -7.249) 8.009 2.496 ( 4.393 0.854 -9.221) 10.250 3.249 ( -6.932 -1.302 14.601) 16.216 3.613 ( 5.181 1.666 -12.348) 13.494 3.838 ( -15.832 0.357 37.988) 41.156 4.575 ( 14.364 0.414 -32.605) 35.631 4.763 ( 0.509 0.419 0.051) 0.662 4.857 ( 0.081 1.376 -1.010) 1.708 8.424 ( -0.434 -0.327 1.323) 1.431 8.481 ( 0.705 -0.214 -0.524) 0.904 9.410 ( -2.331 0.096 5.500) 5.975 9.596 ( 1.618 -3.962 -4.526) 6.229 10.390 ( -1.381 0.849 -0.581) 1.721 10.535 ( -1.984 3.075 3.470) 5.043 10.801 ( 0.258 -4.685 6.984) 8.413 10.871 ( 4.334 -0.828 -10.843) 11.707 ======================= Grid point 283 (143/165) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.897 2.088 5.845) 6.271 1.032 ( 0.893 2.189 0.769) 2.486 1.086 ( -0.505 1.466 4.353) 4.621 1.186 ( -1.870 0.130 -0.897) 2.078 1.404 ( 1.007 4.430 -3.106) 5.503 1.493 ( -6.116 5.929 -1.269) 8.612 1.918 ( 2.592 -3.672 6.417) 7.834 2.060 ( -2.204 -3.158 4.413) 5.857 2.357 ( 4.267 2.095 -7.593) 8.958 2.473 ( 2.938 0.945 -11.368) 11.779 3.255 ( -6.122 -0.566 14.902) 16.121 3.585 ( 4.078 1.256 -12.638) 13.339 3.838 ( -15.992 0.435 37.654) 40.912 4.577 ( 14.513 0.415 -33.206) 36.241 4.773 ( 1.077 0.854 0.609) 1.504 4.828 ( -0.467 1.687 -1.098) 2.067 8.436 ( 0.096 -0.367 1.700) 1.742 8.487 ( 0.304 -0.229 -0.810) 0.895 9.418 ( -2.075 -0.535 6.543) 6.885 9.614 ( 0.385 -3.539 -6.506) 7.416 10.362 ( -0.677 1.317 1.205) 1.909 10.468 ( -2.782 3.231 -0.268) 4.272 10.865 ( -3.585 -4.700 6.876) 9.068 10.933 ( 7.941 -2.164 -9.176) 12.326 ======================= Grid point 284 (144/165) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.915 1.659 5.627) 5.937 1.030 ( 1.057 1.617 -1.361) 2.363 1.076 ( -0.494 2.764 6.858) 7.411 1.175 ( -0.600 -1.233 -2.557) 2.902 1.328 ( -4.652 4.536 0.690) 6.534 1.378 ( 3.067 4.078 -2.964) 5.901 2.025 ( -0.005 -2.433 7.655) 8.032 2.071 ( -2.286 -1.511 3.046) 4.097 2.368 ( 5.724 1.098 -8.382) 10.209 2.420 ( 2.582 0.732 -12.971) 13.246 3.268 ( -5.393 0.142 14.964) 15.906 3.551 ( 4.129 0.580 -12.496) 13.174 3.834 ( -15.988 0.326 37.329) 40.610 4.575 ( 14.066 0.380 -32.995) 35.870 4.786 ( 0.649 0.960 0.573) 1.293 4.797 ( 0.332 1.257 -1.790) 2.212 8.455 ( 0.077 -0.268 1.772) 1.794 8.485 ( -0.081 -0.244 -1.075) 1.105 9.445 ( -1.976 -0.963 8.033) 8.329 9.587 ( -1.534 -1.902 -5.648) 6.154 10.359 ( 0.271 1.514 2.774) 3.172 10.392 ( -2.048 1.929 -0.888) 2.950 10.877 ( -5.680 -3.589 5.186) 8.487 11.020 ( 7.203 -1.855 -8.125) 11.016 ======================= Grid point 287 (145/165) ======================= q-point: ( 0.25 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 1.613 -0.000 0.526) 1.697 1.030 ( 1.008 -0.000 2.841) 3.015 1.165 ( -5.442 0.000 -0.849) 5.508 1.202 ( 4.443 -0.000 2.379) 5.040 1.420 ( 3.445 -0.000 -4.957) 6.036 1.513 ( 2.095 -0.000 4.466) 4.933 1.882 ( -2.150 0.000 0.027) 2.150 2.035 ( -5.931 0.000 4.882) 7.682 2.424 ( 6.800 -0.000 -7.478) 10.107 2.438 ( 2.662 -0.000 -8.372) 8.785 3.268 ( -7.877 0.000 13.321) 15.476 3.618 ( 7.154 -0.000 -11.548) 13.584 3.826 ( -15.786 0.000 37.644) 40.820 4.564 ( 13.793 -0.000 -30.472) 33.448 4.780 ( -0.732 0.000 -0.303) 0.793 4.836 ( 3.026 -0.000 -2.838) 4.148 8.437 ( -1.475 0.000 0.880) 1.717 8.452 ( 0.582 -0.000 -0.477) 0.752 9.461 ( 0.274 -0.000 1.315) 1.344 9.486 ( -4.715 0.000 7.304) 8.693 10.471 ( -0.732 0.000 0.294) 0.788 10.510 ( 5.400 -0.000 -0.502) 5.423 10.590 ( -5.629 0.000 10.469) 11.886 11.013 ( 0.322 -0.000 -10.754) 10.759 ======================= Grid point 288 (146/165) ======================= q-point: (-0.62 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 2.776 4.339 2.124) 5.571 1.042 ( -2.132 0.954 0.001) 2.336 1.073 ( -1.469 -0.004 1.366) 2.006 1.300 ( 0.979 -0.669 4.707) 4.854 1.462 ( 5.340 -3.226 -4.808) 7.876 1.562 ( 1.208 -0.449 -0.135) 1.296 1.834 ( -2.582 3.025 2.373) 4.631 1.978 ( -5.923 -2.040 4.532) 7.732 2.425 ( 2.921 0.519 -7.383) 7.957 2.482 ( 5.994 0.114 -7.076) 9.274 3.235 ( -7.789 -0.525 13.970) 16.004 3.646 ( 6.689 0.729 -12.354) 14.067 3.834 ( -15.694 0.062 38.369) 41.455 4.576 ( 14.238 0.145 -31.707) 34.758 4.769 ( -0.152 0.179 -0.028) 0.236 4.864 ( 1.851 -0.156 -1.432) 2.346 8.421 ( -1.158 -0.128 0.979) 1.522 8.463 ( 0.759 -0.174 -0.226) 0.810 9.444 ( -3.116 1.547 4.783) 5.915 9.493 ( -0.366 -2.416 1.093) 2.677 10.441 ( -1.139 0.390 -2.008) 2.341 10.582 ( -0.288 1.457 6.534) 6.701 10.619 ( 1.377 -2.362 6.080) 6.667 10.931 ( 0.249 0.558 -11.711) 11.727 ======================= Grid point 289 (147/165) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.799 3.181 2.866) 4.356 1.050 ( 2.227 0.684 -0.645) 2.417 1.084 ( 1.080 2.410 3.579) 4.448 1.298 ( -2.060 2.110 1.718) 3.413 1.533 ( 1.519 1.350 -4.104) 4.580 1.626 ( 5.957 -4.487 0.370) 7.467 1.764 ( -4.601 3.638 4.693) 7.512 1.952 ( -4.032 -4.021 3.662) 6.770 2.417 ( 3.419 1.744 -6.665) 7.691 2.512 ( 4.194 0.546 -7.866) 8.931 3.225 ( -6.602 -0.882 15.029) 16.439 3.646 ( 5.236 1.268 -12.906) 13.985 3.845 ( -15.734 0.294 38.370) 41.472 4.583 ( 14.392 0.313 -32.542) 35.584 4.773 ( 0.825 0.464 0.551) 1.096 4.875 ( 0.587 0.459 -0.955) 1.211 8.417 ( -0.510 -0.268 1.269) 1.394 8.475 ( 0.591 -0.323 -0.453) 0.812 9.415 ( -3.067 0.497 5.109) 5.980 9.519 ( 0.106 -3.137 -1.659) 3.550 10.408 ( -0.747 0.805 -0.513) 1.212 10.593 ( -2.360 2.379 7.492) 8.208 10.715 ( 1.319 -3.353 3.911) 5.318 10.858 ( 2.529 -0.354 -12.214) 12.478 ======================= Grid point 290 (148/165) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 1.022 2.278 4.007) 4.721 1.064 ( 0.923 -0.069 -1.452) 1.722 1.112 ( 2.250 3.582 4.435) 6.129 1.236 ( -2.702 3.076 0.771) 4.166 1.498 ( 2.479 4.315 -4.081) 6.436 1.613 ( -6.281 5.520 0.991) 8.420 1.822 ( 4.053 -5.209 5.159) 8.378 1.976 ( -1.941 -4.799 3.093) 6.030 2.407 ( 3.771 2.590 -6.403) 7.869 2.496 ( 2.313 1.042 -9.330) 9.668 3.243 ( -5.401 -0.535 15.612) 16.528 3.613 ( 3.864 1.366 -13.128) 13.753 3.849 ( -16.016 0.524 38.006) 41.246 4.586 ( 14.484 0.431 -32.993) 36.034 4.792 ( 1.559 0.930 0.866) 2.011 4.860 ( -0.416 1.216 -1.115) 1.701 8.428 ( 0.094 -0.392 1.582) 1.632 8.481 ( 0.206 -0.374 -0.878) 0.977 9.406 ( -2.791 -0.544 5.953) 6.597 9.535 ( -0.246 -3.640 -3.416) 4.998 10.394 ( -0.016 1.562 1.751) 2.346 10.543 ( -3.226 3.736 0.905) 5.019 10.768 ( -3.962 -4.360 7.081) 9.211 10.884 ( 7.849 -2.322 -10.969) 13.687 ======================= Grid point 291 (149/165) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.411 2.414 3.717) 4.451 1.063 ( 0.844 0.910 -2.469) 2.763 1.132 ( -0.717 2.753 5.084) 5.826 1.182 ( 0.312 2.162 -0.494) 2.239 1.441 ( -6.680 5.839 0.824) 8.910 1.483 ( 4.623 5.739 -2.328) 7.729 1.952 ( -0.891 -4.529 6.698) 8.134 2.020 ( 0.790 -3.445 0.586) 3.582 2.401 ( 3.675 2.013 -6.445) 7.687 2.444 ( 2.175 1.423 -10.646) 10.958 3.272 ( -4.851 0.245 15.613) 16.351 3.568 ( 3.637 0.915 -13.029) 13.558 3.844 ( -16.146 0.568 37.682) 40.999 4.586 ( 14.190 0.549 -32.940) 35.871 4.811 ( 0.729 1.369 0.775) 1.734 4.827 ( 0.185 1.450 -1.840) 2.350 8.447 ( 0.213 -0.393 1.667) 1.726 8.478 ( -0.132 -0.416 -1.205) 1.281 9.419 ( -2.637 -1.434 7.343) 7.933 9.534 ( -0.902 -2.903 -3.475) 4.617 10.400 ( 0.644 2.262 3.770) 4.444 10.447 ( -2.880 3.176 -1.311) 4.483 10.789 ( -5.184 -4.509 6.536) 9.483 10.968 ( 7.299 -2.914 -9.828) 12.584 ======================= Grid point 292 (150/165) ======================= q-point: (-0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -1.528 2.772 2.678) 4.146 1.023 ( -1.380 1.791 -3.208) 3.925 1.141 ( 0.835 -0.109 3.907) 3.997 1.171 ( 0.622 1.709 -1.396) 2.293 1.322 ( -2.010 4.265 2.737) 5.452 1.494 ( 5.004 6.609 -0.390) 8.299 1.975 ( -4.677 -4.081 2.698) 6.768 2.083 ( 1.033 -1.670 2.988) 3.576 2.373 ( 2.228 0.812 -9.895) 10.175 2.425 ( 5.027 1.269 -8.230) 9.727 3.297 ( -4.880 0.720 15.156) 15.939 3.539 ( 4.663 0.081 -12.412) 13.260 3.837 ( -16.063 0.443 37.273) 40.590 4.577 ( 13.119 0.639 -31.700) 34.313 4.786 ( 0.262 0.949 -2.727) 2.899 4.829 ( 1.266 1.596 -0.204) 2.047 8.463 ( -0.210 -0.246 1.429) 1.465 8.469 ( -0.261 -0.376 -1.287) 1.366 9.447 ( -3.080 -2.036 8.037) 8.844 9.518 ( -1.238 -1.081 -1.241) 2.060 10.378 ( -1.147 1.635 -0.571) 2.078 10.421 ( 0.993 2.707 5.050) 5.815 10.771 ( -6.379 -3.295 4.394) 8.417 11.041 ( 5.514 -3.042 -8.987) 10.974 ======================= Grid point 296 (151/165) ======================= q-point: (-0.62 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -2.062 0.000 0.228) 2.075 1.074 ( -0.235 0.000 1.651) 1.667 1.120 ( 4.361 -0.000 3.249) 5.438 1.321 ( -2.129 0.000 2.962) 3.648 1.532 ( 7.765 -0.000 -1.287) 7.871 1.578 ( 2.093 -0.000 -2.784) 3.483 1.831 ( -2.022 0.000 2.813) 3.465 1.885 ( -7.213 0.000 4.535) 8.520 2.437 ( 3.870 -0.000 -6.453) 7.524 2.518 ( 4.041 -0.000 -7.251) 8.301 3.215 ( -6.489 0.000 15.222) 16.548 3.660 ( 5.287 -0.000 -13.201) 14.221 3.849 ( -15.701 0.000 38.547) 41.622 4.586 ( 14.408 -0.000 -32.547) 35.593 4.779 ( 0.864 -0.000 0.843) 1.208 4.879 ( 0.877 -0.000 -0.919) 1.271 8.414 ( -0.531 0.000 1.248) 1.356 8.471 ( 0.544 -0.000 -0.381) 0.664 9.425 ( -4.124 0.000 5.477) 6.856 9.480 ( 0.227 -0.000 -1.108) 1.131 10.417 ( -0.539 0.000 -0.388) 0.664 10.625 ( -4.394 0.000 14.126) 14.793 10.673 ( 3.931 -0.000 -2.530) 4.674 10.855 ( 1.634 -0.000 -12.832) 12.935 ======================= Grid point 298 (152/165) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.889 -0.019 2.009) 2.197 1.071 ( -0.472 0.561 0.547) 0.915 1.194 ( 3.446 2.901 2.187) 5.007 1.283 ( -3.021 1.203 1.569) 3.610 1.579 ( 3.497 3.388 -2.592) 5.516 1.685 ( 5.024 -2.078 -0.685) 5.480 1.755 ( -4.742 2.685 5.249) 7.566 1.868 ( -2.099 -5.225 2.446) 6.139 2.452 ( 3.856 1.375 -6.053) 7.307 2.510 ( 1.665 0.262 -7.585) 7.770 3.235 ( -4.907 -0.212 16.156) 16.886 3.635 ( 3.755 0.605 -13.587) 14.109 3.857 ( -16.014 0.232 38.210) 41.431 4.593 ( 14.448 0.182 -32.819) 35.859 4.807 ( 1.732 0.399 1.102) 2.092 4.876 ( -0.207 0.375 -1.012) 1.099 8.422 ( 0.108 -0.169 1.493) 1.507 8.474 ( 0.165 -0.208 -0.834) 0.875 9.398 ( -3.606 -0.155 5.599) 6.662 9.478 ( -0.450 -1.578 -1.470) 2.203 10.419 ( 0.284 0.729 2.451) 2.573 10.617 ( -3.496 3.394 3.661) 6.095 10.688 ( -3.530 -3.422 4.280) 6.518 10.846 ( 7.342 -1.044 -11.994) 14.102 ======================= Grid point 299 (153/165) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.131 0.854 2.050) 2.493 1.063 ( 0.237 -0.372 -1.177) 1.257 1.205 ( -0.597 3.699 3.334) 5.015 1.238 ( 0.211 2.429 -0.400) 2.471 1.554 ( -5.618 5.073 1.869) 7.797 1.607 ( 3.548 5.693 -2.675) 7.222 1.847 ( -0.795 -5.102 5.709) 7.698 1.932 ( 3.427 -4.796 -1.546) 6.094 2.445 ( 1.709 1.947 -5.440) 6.025 2.471 ( 1.977 0.962 -7.839) 8.142 3.277 ( -4.281 0.207 16.269) 16.824 3.586 ( 3.148 0.724 -13.628) 14.005 3.855 ( -16.265 0.445 37.907) 41.252 4.596 ( 14.278 0.397 -32.798) 35.773 4.837 ( 1.276 0.961 0.866) 1.817 4.852 ( -0.408 0.816 -1.659) 1.894 8.440 ( 0.358 -0.291 1.528) 1.596 8.469 ( -0.157 -0.356 -1.261) 1.320 9.391 ( -3.156 -1.059 6.552) 7.350 9.479 ( -0.495 -2.149 -1.239) 2.530 10.444 ( 0.577 1.740 5.409) 5.711 10.516 ( -3.554 3.236 -2.252) 5.308 10.702 ( -4.473 -3.578 7.023) 9.063 10.911 ( 7.495 -2.280 -11.282) 13.735 ======================= Grid point 300 (154/165) ======================= q-point: (-0.25 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.375 1.354 1.271) 1.895 1.054 ( -0.112 1.043 -3.148) 3.318 1.162 ( -1.721 2.803 0.144) 3.292 1.225 ( 0.857 3.155 1.626) 3.651 1.416 ( -3.882 4.500 2.778) 6.561 1.623 ( 4.470 5.005 -0.165) 6.712 1.878 ( -3.818 -4.519 1.927) 6.222 2.032 ( 3.635 -3.222 -1.370) 5.047 2.396 ( 0.720 1.292 -6.734) 6.894 2.455 ( 3.121 1.562 -6.061) 6.994 3.313 ( -4.665 0.809 15.768) 16.464 3.541 ( 3.875 0.132 -13.096) 13.658 3.848 ( -16.267 0.509 37.568) 40.942 4.591 ( 13.444 0.665 -32.031) 34.745 4.809 ( -0.425 1.118 -2.562) 2.828 4.858 ( 1.230 1.139 0.025) 1.677 8.457 ( -0.054 -0.297 0.717) 0.778 8.460 ( -0.094 -0.402 -0.828) 0.926 9.405 ( -3.109 -1.778 7.407) 8.228 9.488 ( -0.136 -1.620 -0.137) 1.631 10.419 ( -2.376 2.193 -1.008) 3.387 10.480 ( 0.659 2.723 7.211) 7.736 10.701 ( -4.945 -3.134 4.510) 7.391 10.974 ( 6.022 -3.125 -11.015) 12.936 ======================= Grid point 301 (155/165) ======================= q-point: (-0.12 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -3.494 3.232 -1.975) 5.153 1.024 ( -0.272 1.836 0.374) 1.893 1.124 ( -0.061 -1.520 -2.705) 3.103 1.225 ( 1.010 3.027 2.623) 4.131 1.385 ( 1.063 3.289 4.099) 5.362 1.634 ( 2.335 4.673 0.484) 5.246 1.856 ( -4.066 -3.753 -0.619) 5.568 2.091 ( 0.809 -1.680 0.240) 1.880 2.363 ( 3.174 0.919 -7.553) 8.244 2.451 ( 2.824 0.622 -6.041) 6.698 3.327 ( -5.620 1.075 14.767) 15.837 3.531 ( 5.310 -0.767 -12.090) 13.226 3.839 ( -16.217 0.458 37.241) 40.621 4.575 ( 12.207 0.770 -30.125) 32.514 4.782 ( 1.411 0.553 -4.546) 4.792 4.859 ( 0.536 1.400 -0.250) 1.520 8.451 ( -0.047 -0.385 -1.234) 1.293 8.465 ( -0.474 -0.082 0.984) 1.095 9.422 ( -3.172 -1.734 6.448) 7.393 9.505 ( -0.161 -0.542 2.355) 2.422 10.380 ( -0.057 0.822 0.243) 0.859 10.515 ( 0.311 3.364 8.538) 9.182 10.666 ( -5.273 -2.270 2.249) 6.165 11.016 ( 4.057 -3.397 -10.634) 11.878 ======================= Grid point 306 (156/165) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.364 0.000 1.519) 2.810 1.059 ( -1.174 0.000 -0.446) 1.256 1.253 ( -2.390 -0.000 1.741) 2.957 1.261 ( 1.966 0.000 0.294) 1.988 1.637 ( 0.278 0.000 1.815) 1.836 1.664 ( -7.261 -0.000 0.023) 7.261 1.789 ( 5.101 0.000 2.074) 5.506 1.856 ( 3.647 0.000 -1.431) 3.917 2.470 ( -0.279 0.000 -6.289) 6.295 2.479 ( 3.194 0.000 -5.578) 6.428 3.280 ( -4.037 0.000 16.543) 17.028 3.594 ( 2.949 0.000 -13.909) 14.218 3.860 ( -16.310 0.000 37.986) 41.339 4.600 ( 14.310 0.000 -32.727) 35.719 4.847 ( 1.729 0.000 0.883) 1.941 4.860 ( -0.878 0.000 -1.520) 1.756 8.437 ( 0.421 0.000 1.458) 1.517 8.465 ( -0.159 0.000 -1.258) 1.268 9.379 ( -3.323 0.000 6.201) 7.035 9.455 ( -0.397 0.000 -0.325) 0.513 10.463 ( 0.415 0.000 6.430) 6.444 10.560 ( -4.161 0.000 -4.388) 6.047 10.656 ( -3.743 -0.000 8.581) 9.362 10.885 ( 7.608 0.000 -11.937) 14.156 ======================= Grid point 308 (157/165) ======================= q-point: (-0.38 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.908 -0.371 -1.435) 1.738 1.079 ( 1.708 0.744 -0.153) 1.869 1.223 ( -1.115 2.065 0.069) 2.348 1.282 ( 1.132 1.673 0.946) 2.231 1.511 ( -6.598 4.613 2.677) 8.484 1.643 ( -3.812 -3.302 2.252) 5.523 1.849 ( 3.456 2.290 -1.280) 4.339 1.954 ( 6.121 -3.838 -4.130) 8.322 2.418 ( -0.335 0.658 -4.905) 4.961 2.481 ( 1.955 0.749 -4.543) 5.002 3.326 ( -4.470 0.367 16.246) 16.853 3.544 ( 3.288 0.068 -13.686) 14.076 3.856 ( -16.407 0.223 37.746) 41.159 4.601 ( 13.711 0.283 -32.293) 35.084 4.827 ( -0.791 0.497 -2.488) 2.658 4.874 ( 1.029 0.354 0.302) 1.129 8.452 ( -0.120 -0.130 -0.888) 0.906 8.454 ( 0.207 -0.188 0.566) 0.631 9.379 ( -2.867 -0.662 7.045) 7.635 9.460 ( 0.341 -0.812 0.655) 1.098 10.460 ( -3.286 1.417 -2.071) 4.135 10.518 ( -1.041 0.728 10.554) 10.630 10.654 ( -2.543 -1.110 3.533) 4.493 10.923 ( 6.479 -1.415 -12.570) 14.212 ======================= Grid point 309 (158/165) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.438 -1.126 -0.629) 1.362 1.053 ( -1.478 4.206 -2.196) 4.970 1.155 ( -1.337 3.378 -2.866) 4.627 1.286 ( 0.721 2.615 2.491) 3.683 1.436 ( -1.189 1.860 4.656) 5.153 1.617 ( -5.885 -5.388 1.147) 8.061 1.859 ( 2.774 3.261 -2.681) 5.051 2.047 ( 3.990 -2.464 -3.524) 5.866 2.383 ( 1.605 0.828 -5.152) 5.460 2.466 ( 0.903 0.737 -3.967) 4.135 3.349 ( -5.661 0.913 15.384) 16.418 3.516 ( 4.635 -0.596 -12.725) 13.556 3.848 ( -16.406 0.354 37.521) 40.953 4.590 ( 12.547 0.604 -30.994) 33.443 4.795 ( 0.586 0.551 -4.068) 4.147 4.879 ( 0.192 0.565 -0.200) 0.630 8.444 ( 0.096 -0.287 -1.285) 1.320 8.463 ( -0.198 -0.135 0.731) 0.769 9.393 ( -2.765 -0.950 7.185) 7.757 9.490 ( 1.203 -0.798 1.296) 1.941 10.400 ( -1.266 0.995 -0.108) 1.614 10.560 ( -4.257 0.259 14.178) 14.806 10.643 ( 0.026 0.678 -1.218) 1.394 10.951 ( 4.999 -2.580 -12.547) 13.751 ======================= Grid point 310 (159/165) ======================= q-point: (-0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -4.031 4.340 -0.701) 5.965 1.031 ( -0.053 0.061 0.676) 0.681 1.104 ( 0.290 0.735 -3.112) 3.211 1.286 ( 0.539 2.694 1.938) 3.362 1.468 ( 2.158 1.100 4.220) 4.866 1.585 ( -5.320 -6.436 0.003) 8.350 1.831 ( 0.605 4.168 -2.171) 4.738 2.087 ( 0.621 -0.826 -0.752) 1.278 2.386 ( 4.531 0.444 -6.539) 7.968 2.444 ( 0.808 -0.118 -5.065) 5.131 3.339 ( -6.878 1.250 14.340) 15.953 3.529 ( 5.987 -1.348 -11.595) 13.118 3.837 ( -16.368 0.371 37.397) 40.824 4.571 ( 12.055 0.569 -29.633) 31.996 4.779 ( 1.884 0.238 -5.079) 5.422 4.869 ( -0.292 0.531 -0.498) 0.784 8.444 ( 0.465 -0.233 -0.797) 0.952 8.460 ( -0.724 -0.017 0.435) 0.845 9.405 ( -2.673 -0.853 6.300) 6.897 9.529 ( 1.670 0.139 1.446) 2.213 10.396 ( 0.756 0.051 1.274) 1.482 10.565 ( -6.179 -1.927 9.008) 11.092 10.635 ( 1.855 4.147 2.431) 5.152 10.962 ( 3.415 -2.882 -12.000) 12.805 ======================= Grid point 316 (160/165) ======================= q-point: (-0.38 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.409 0.000 -1.010) 1.090 1.102 ( 0.603 -0.000 -1.034) 1.197 1.205 ( -1.053 0.000 -4.221) 4.350 1.317 ( 0.642 -0.000 2.030) 2.129 1.478 ( -3.317 0.000 5.329) 6.277 1.516 ( -8.418 0.000 1.631) 8.575 1.908 ( 2.904 -0.000 -3.731) 4.728 2.010 ( 6.433 -0.000 -4.824) 8.041 2.392 ( 0.899 -0.000 -4.176) 4.272 2.475 ( 0.157 -0.000 -3.256) 3.260 3.360 ( -5.691 0.000 15.821) 16.813 3.509 ( 4.383 -0.000 -13.188) 13.897 3.851 ( -16.491 0.000 37.650) 41.103 4.596 ( 12.764 -0.000 -31.476) 33.965 4.801 ( 0.214 -0.000 -3.739) 3.745 4.884 ( -0.006 0.000 -0.208) 0.208 8.441 ( 0.162 -0.000 -1.327) 1.337 8.461 ( -0.096 0.000 0.606) 0.614 9.383 ( -2.531 0.000 7.401) 7.822 9.480 ( 1.697 -0.000 1.043) 1.992 10.412 ( -1.801 0.000 -0.476) 1.863 10.553 ( -5.988 0.000 13.493) 14.762 10.661 ( 1.999 -0.000 0.998) 2.234 10.921 ( 5.484 -0.000 -13.771) 14.823 ======================= Grid point 317 (161/165) ======================= q-point: (-0.25 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -2.597 0.186 1.407) 2.959 1.067 ( -0.400 3.876 -1.567) 4.200 1.145 ( 0.069 2.458 -4.256) 4.915 1.333 ( 0.411 1.474 1.865) 2.412 1.406 ( -7.327 -6.039 0.647) 9.517 1.500 ( -0.264 -0.638 4.902) 4.950 1.906 ( 1.570 2.175 -3.823) 4.670 2.069 ( 2.730 -0.680 -2.307) 3.638 2.393 ( 3.693 0.204 -5.780) 6.862 2.443 ( -0.761 0.011 -3.651) 3.729 3.360 ( -7.007 0.649 15.048) 16.612 3.507 ( 5.815 -0.632 -12.090) 13.430 3.843 ( -16.554 0.165 37.601) 41.084 4.580 ( 12.170 0.278 -30.601) 32.933 4.785 ( 1.503 0.193 -4.515) 4.763 4.873 ( -0.925 -0.023 -0.650) 1.131 8.440 ( 0.671 -0.101 -0.889) 1.118 8.458 ( -0.616 -0.070 0.221) 0.658 9.395 ( -2.518 -0.202 6.974) 7.417 9.529 ( 3.306 -0.106 0.123) 3.310 10.399 ( -0.012 0.170 1.364) 1.374 10.532 ( -5.583 -0.956 7.648) 9.517 10.707 ( 1.421 2.208 5.610) 6.194 10.913 ( 4.536 -1.515 -13.803) 14.608 ======================= Grid point 318 (162/165) ======================= q-point: (-0.12 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -3.969 3.982 1.578) 5.840 1.045 ( -0.922 1.166 2.568) 2.967 1.088 ( -0.945 1.456 -2.636) 3.156 1.320 ( -0.425 1.745 -0.435) 1.848 1.408 ( -3.414 -9.088 0.990) 9.758 1.547 ( 1.829 -0.223 2.847) 3.391 1.860 ( -0.462 3.948 -2.257) 4.571 2.084 ( -0.729 0.026 1.231) 1.431 2.405 ( -0.155 -0.835 -5.401) 5.467 2.426 ( 5.744 0.046 -7.617) 9.541 3.331 ( -7.745 1.211 14.291) 16.300 3.540 ( 6.588 -1.260 -11.279) 13.122 3.834 ( -16.423 0.174 37.610) 41.039 4.566 ( 12.705 0.165 -30.595) 33.129 4.778 ( 1.436 0.421 -3.845) 4.126 4.852 ( -1.023 -0.691 -0.852) 1.500 8.444 ( -0.758 0.079 0.288) 0.815 8.454 ( 0.782 -0.213 -0.445) 0.925 9.402 ( -2.450 -0.239 6.057) 6.538 9.586 ( 4.339 0.982 -1.779) 4.792 10.421 ( 0.723 -0.095 1.807) 1.948 10.502 ( -3.927 -1.507 3.348) 5.376 10.741 ( 0.982 3.842 7.527) 8.507 10.906 ( 3.465 -1.930 -12.032) 12.669 ======================= Grid point 325 (163/165) ======================= q-point: (-0.25 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -3.778 0.000 2.306) 4.426 1.057 ( -2.208 0.000 0.284) 2.226 1.188 ( 4.384 -0.000 -2.667) 5.131 1.215 ( -9.103 0.000 1.243) 9.187 1.356 ( -0.403 0.000 1.421) 1.477 1.539 ( 1.197 -0.000 1.901) 2.246 1.905 ( -0.171 0.000 -2.407) 2.413 2.082 ( -0.039 0.000 1.012) 1.012 2.395 ( -0.936 0.000 -4.871) 4.960 2.427 ( 5.686 -0.000 -7.755) 9.616 3.345 ( -7.853 0.000 14.654) 16.625 3.525 ( 6.647 -0.000 -11.448) 13.238 3.836 ( -16.541 0.000 37.648) 41.121 4.568 ( 12.693 -0.000 -31.101) 33.592 4.785 ( 1.812 -0.000 -3.636) 4.062 4.841 ( -1.921 0.000 -0.884) 2.114 8.445 ( -0.959 0.000 0.200) 0.979 8.450 ( 1.113 -0.000 -0.494) 1.217 9.400 ( -2.479 0.000 6.302) 6.772 9.596 ( 5.487 -0.000 -2.658) 6.097 10.421 ( 0.725 -0.000 2.365) 2.474 10.484 ( -4.106 0.000 3.027) 5.102 10.790 ( 0.327 -0.000 9.665) 9.670 10.880 ( 4.771 -0.000 -14.365) 15.137 ======================= Grid point 326 (164/165) ======================= q-point: (-0.12 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -3.257 2.629 3.811) 5.661 1.033 ( -2.713 -1.224 3.631) 4.694 1.068 ( -4.217 2.737 0.084) 5.028 1.275 ( 0.748 -4.145 -1.387) 4.434 1.343 ( -1.468 -0.673 1.132) 1.972 1.557 ( -0.014 -1.765 -2.637) 3.173 1.877 ( -0.852 2.324 1.808) 3.065 2.088 ( -1.252 0.532 4.189) 4.404 2.352 ( 0.438 -0.871 -6.678) 6.748 2.464 ( 5.757 -0.062 -9.372) 10.999 3.311 ( -7.946 0.696 14.223) 16.307 3.559 ( 6.380 -0.680 -11.380) 13.064 3.830 ( -16.186 0.008 37.598) 40.934 4.563 ( 13.645 -0.060 -31.967) 34.757 4.781 ( 0.087 1.146 -1.741) 2.086 4.813 ( -0.774 -1.729 -1.091) 2.186 8.432 ( -0.821 0.045 0.745) 1.110 8.468 ( 1.160 -0.085 -0.318) 1.206 9.403 ( -2.262 -0.051 5.738) 6.168 9.659 ( 5.703 1.108 -5.833) 8.232 10.426 ( -2.383 0.709 0.103) 2.489 10.459 ( -0.887 -1.764 2.222) 2.973 10.849 ( 2.851 2.510 2.250) 4.415 10.879 ( 3.126 -0.737 -5.010) 5.952 ======================= Grid point 334 (165/165) ======================= q-point: (-0.12 -0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -2.083 0.000 5.811) 6.173 0.992 ( -5.915 0.000 7.707) 9.715 1.022 ( -0.029 0.000 -2.401) 2.401 1.281 ( 1.208 -0.000 0.248) 1.233 1.309 ( -2.594 0.000 0.917) 2.751 1.479 ( -2.987 0.000 -7.598) 8.164 1.912 ( 0.162 -0.000 6.236) 6.238 2.106 ( -1.719 0.000 5.854) 6.101 2.318 ( 2.569 -0.000 -7.966) 8.370 2.478 ( 4.749 -0.000 -11.289) 12.248 3.284 ( -7.617 0.000 14.175) 16.092 3.571 ( 5.286 -0.000 -11.887) 13.010 3.830 ( -15.893 0.000 37.351) 40.591 4.565 ( 14.353 -0.000 -32.898) 35.893 4.766 ( -1.353 0.000 0.165) 1.363 4.797 ( 0.665 -0.000 -1.282) 1.444 8.431 ( -0.257 0.000 1.404) 1.427 8.483 ( 0.890 -0.000 -0.391) 0.972 9.409 ( -1.874 0.000 5.958) 6.246 9.698 ( 4.109 -0.000 -8.713) 9.633 10.377 ( -2.823 0.000 -0.306) 2.839 10.445 ( -1.479 0.000 0.523) 1.569 10.895 ( 7.613 -0.000 -10.796) 13.210 10.940 ( -0.530 0.000 8.546) 8.563 =================== 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 3/13824 10.0 10.626 13.745 12.217 0.000 -0.513 -0.000 3/13824 20.0 3.523 4.310 4.992 0.000 -0.580 -0.000 3/13824 30.0 2.293 2.499 4.113 0.000 -0.849 -0.000 3/13824 40.0 1.884 1.758 4.307 0.000 -1.196 -0.000 3/13824 50.0 1.708 1.359 4.661 0.000 -1.490 -0.000 3/13824 60.0 1.608 1.113 4.933 0.000 -1.694 -0.000 3/13824 70.0 1.535 0.947 5.077 0.000 -1.814 -0.000 3/13824 80.0 1.471 0.829 5.110 0.000 -1.869 -0.000 3/13824 90.0 1.411 0.740 5.063 0.000 -1.879 -0.000 3/13824 100.0 1.352 0.671 4.963 0.000 -1.860 -0.000 3/13824 110.0 1.296 0.615 4.831 0.000 -1.822 -0.000 3/13824 120.0 1.242 0.569 4.680 0.000 -1.774 -0.000 3/13824 130.0 1.190 0.530 4.521 0.000 -1.719 -0.000 3/13824 140.0 1.141 0.497 4.361 0.000 -1.662 -0.000 3/13824 150.0 1.094 0.467 4.202 0.000 -1.604 -0.000 3/13824 160.0 1.051 0.441 4.047 0.000 -1.547 -0.000 3/13824 170.0 1.009 0.418 3.899 0.000 -1.492 -0.000 3/13824 180.0 0.971 0.398 3.757 0.000 -1.438 -0.000 3/13824 190.0 0.934 0.379 3.622 0.000 -1.388 -0.000 3/13824 200.0 0.900 0.362 3.493 0.000 -1.339 -0.000 3/13824 210.0 0.868 0.347 3.372 0.000 -1.293 -0.000 3/13824 220.0 0.837 0.332 3.258 0.000 -1.250 -0.000 3/13824 230.0 0.809 0.319 3.150 0.000 -1.209 -0.000 3/13824 240.0 0.782 0.307 3.047 0.000 -1.170 -0.000 3/13824 250.0 0.757 0.296 2.951 0.000 -1.133 -0.000 3/13824 260.0 0.733 0.285 2.859 0.000 -1.098 -0.000 3/13824 270.0 0.711 0.276 2.773 0.000 -1.065 -0.000 3/13824 280.0 0.690 0.267 2.691 0.000 -1.033 -0.000 3/13824 290.0 0.669 0.258 2.613 0.000 -1.004 -0.000 3/13824 300.0 0.650 0.250 2.540 0.000 -0.976 -0.000 3/13824 310.0 0.632 0.242 2.470 0.000 -0.949 -0.000 3/13824 320.0 0.615 0.235 2.404 0.000 -0.923 -0.000 3/13824 330.0 0.599 0.229 2.341 0.000 -0.899 -0.000 3/13824 340.0 0.584 0.222 2.281 0.000 -0.876 -0.000 3/13824 350.0 0.569 0.216 2.223 0.000 -0.854 -0.000 3/13824 360.0 0.555 0.211 2.169 0.000 -0.833 -0.000 3/13824 370.0 0.541 0.205 2.117 0.000 -0.813 -0.000 3/13824 380.0 0.529 0.200 2.067 0.000 -0.794 -0.000 3/13824 390.0 0.516 0.195 2.020 0.000 -0.776 -0.000 3/13824 400.0 0.505 0.191 1.974 0.000 -0.759 -0.000 3/13824 410.0 0.493 0.186 1.931 0.000 -0.742 -0.000 3/13824 420.0 0.483 0.182 1.889 0.000 -0.726 -0.000 3/13824 430.0 0.473 0.178 1.849 0.000 -0.710 -0.000 3/13824 440.0 0.463 0.174 1.810 0.000 -0.696 -0.000 3/13824 450.0 0.453 0.170 1.774 0.000 -0.682 -0.000 3/13824 460.0 0.444 0.167 1.738 0.000 -0.668 -0.000 3/13824 470.0 0.435 0.163 1.704 0.000 -0.655 -0.000 3/13824 480.0 0.427 0.160 1.671 0.000 -0.642 -0.000 3/13824 490.0 0.419 0.157 1.640 0.000 -0.630 -0.000 3/13824 500.0 0.411 0.154 1.609 0.000 -0.618 -0.000 3/13824 510.0 0.403 0.151 1.580 0.000 -0.607 -0.000 3/13824 520.0 0.396 0.148 1.551 0.000 -0.596 -0.000 3/13824 530.0 0.389 0.145 1.524 0.000 -0.586 -0.000 3/13824 540.0 0.382 0.143 1.497 0.000 -0.576 -0.000 3/13824 550.0 0.376 0.140 1.472 0.000 -0.566 -0.000 3/13824 560.0 0.370 0.138 1.447 0.000 -0.556 -0.000 3/13824 570.0 0.363 0.135 1.423 0.000 -0.547 -0.000 3/13824 580.0 0.358 0.133 1.400 0.000 -0.538 -0.000 3/13824 590.0 0.352 0.131 1.378 0.000 -0.530 -0.000 3/13824 600.0 0.346 0.129 1.356 0.000 -0.521 -0.000 3/13824 610.0 0.341 0.127 1.335 0.000 -0.513 -0.000 3/13824 620.0 0.336 0.125 1.315 0.000 -0.505 -0.000 3/13824 630.0 0.331 0.123 1.295 0.000 -0.498 -0.000 3/13824 640.0 0.326 0.121 1.275 0.000 -0.490 -0.000 3/13824 650.0 0.321 0.119 1.257 0.000 -0.483 -0.000 3/13824 660.0 0.316 0.117 1.239 0.000 -0.476 -0.000 3/13824 670.0 0.312 0.116 1.221 0.000 -0.469 -0.000 3/13824 680.0 0.307 0.114 1.204 0.000 -0.463 -0.000 3/13824 690.0 0.303 0.112 1.187 0.000 -0.456 -0.000 3/13824 700.0 0.299 0.111 1.171 0.000 -0.450 -0.000 3/13824 710.0 0.295 0.109 1.155 0.000 -0.444 -0.000 3/13824 720.0 0.291 0.108 1.140 0.000 -0.438 -0.000 3/13824 730.0 0.287 0.106 1.125 0.000 -0.432 -0.000 3/13824 740.0 0.283 0.105 1.110 0.000 -0.427 -0.000 3/13824 750.0 0.280 0.103 1.096 0.000 -0.421 -0.000 3/13824 760.0 0.276 0.102 1.082 0.000 -0.416 -0.000 3/13824 770.0 0.273 0.101 1.069 0.000 -0.411 -0.000 3/13824 780.0 0.269 0.100 1.055 0.000 -0.406 -0.000 3/13824 790.0 0.266 0.098 1.043 0.000 -0.401 -0.000 3/13824 800.0 0.263 0.097 1.030 0.000 -0.396 -0.000 3/13824 810.0 0.260 0.096 1.018 0.000 -0.391 -0.000 3/13824 820.0 0.257 0.095 1.006 0.000 -0.387 -0.000 3/13824 830.0 0.254 0.094 0.994 0.000 -0.382 -0.000 3/13824 840.0 0.251 0.093 0.983 0.000 -0.378 -0.000 3/13824 850.0 0.248 0.091 0.971 0.000 -0.373 -0.000 3/13824 860.0 0.245 0.090 0.960 0.000 -0.369 -0.000 3/13824 870.0 0.242 0.089 0.950 0.000 -0.365 -0.000 3/13824 880.0 0.240 0.088 0.939 0.000 -0.361 -0.000 3/13824 890.0 0.237 0.087 0.929 0.000 -0.357 -0.000 3/13824 900.0 0.234 0.086 0.919 0.000 -0.353 -0.000 3/13824 910.0 0.232 0.086 0.909 0.000 -0.350 -0.000 3/13824 920.0 0.229 0.085 0.900 0.000 -0.346 -0.000 3/13824 930.0 0.227 0.084 0.890 0.000 -0.342 -0.000 3/13824 940.0 0.225 0.083 0.881 0.000 -0.339 -0.000 3/13824 950.0 0.222 0.082 0.872 0.000 -0.335 -0.000 3/13824 960.0 0.220 0.081 0.863 0.000 -0.332 -0.000 3/13824 970.0 0.218 0.080 0.855 0.000 -0.329 -0.000 3/13824 980.0 0.216 0.079 0.846 0.000 -0.325 -0.000 3/13824 990.0 0.214 0.079 0.838 0.000 -0.322 -0.000 3/13824 1000.0 0.212 0.078 0.830 0.000 -0.319 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:40:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|