----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:15:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.867546611958051 0.000000000000000 0.000000000000000 b -2.433773305979026 4.215419020060548 0.000000000000000 c 0.000000000000000 0.000000000000000 4.888074070000000 Atomic positions (fractional): *1 O 0.62404547927650 0.62404547927650 0.71095173179358 15.999 2 O 0.37595452072350 0.00000000000000 0.71095173179358 15.999 3 O 0.00000000000000 0.37595452072350 0.71095173179358 15.999 4 O 0.62404547927650 0.00000000000000 0.28904826820642 15.999 5 O 0.00000000000000 0.62404547927650 0.28904826820642 15.999 6 O 0.37595452072350 0.37595452072350 0.28904826820642 15.999 *7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 *9 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.867546611958051 0.000000000000000 0.000000000000000 b -2.433773305979026 4.215419020060548 0.000000000000000 c 0.000000000000000 0.000000000000000 4.888074070000000 Atomic positions (fractional): *1 O 0.62404547927650 0.62404547927650 0.71095173179358 15.999 > 1 2 O 0.37595452072350 0.00000000000000 0.71095173179358 15.999 > 2 3 O 0.00000000000000 0.37595452072350 0.71095173179358 15.999 > 3 4 O 0.62404547927650 0.00000000000000 0.28904826820642 15.999 > 4 5 O 0.00000000000000 0.62404547927650 0.28904826820642 15.999 > 5 6 O 0.37595452072350 0.37595452072350 0.28904826820642 15.999 > 6 *7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 7 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 8 *9 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.735093223916103 0.000000000000000 0.000000000000000 b -4.867546611958052 8.430838040121095 0.000000000000000 c 0.000000000000000 0.000000000000000 9.776148140000000 Atomic positions (fractional): *1 O 0.31202273963825 0.31202273963825 0.35547586589679 15.999 > 1 2 O 0.81202273963825 0.31202273963825 0.35547586589679 15.999 > 1 3 O 0.31202273963825 0.81202273963825 0.35547586589679 15.999 > 1 4 O 0.81202273963825 0.81202273963825 0.35547586589679 15.999 > 1 5 O 0.31202273963825 0.31202273963825 0.85547586589679 15.999 > 1 6 O 0.81202273963825 0.31202273963825 0.85547586589679 15.999 > 1 7 O 0.31202273963825 0.81202273963825 0.85547586589679 15.999 > 1 8 O 0.81202273963825 0.81202273963825 0.85547586589679 15.999 > 1 9 O 0.18797726036175 0.00000000000000 0.35547586589679 15.999 > 2 10 O 0.68797726036175 0.00000000000000 0.35547586589679 15.999 > 2 11 O 0.18797726036175 0.50000000000000 0.35547586589679 15.999 > 2 12 O 0.68797726036175 0.50000000000000 0.35547586589679 15.999 > 2 13 O 0.18797726036175 0.00000000000000 0.85547586589679 15.999 > 2 14 O 0.68797726036175 0.00000000000000 0.85547586589679 15.999 > 2 15 O 0.18797726036175 0.50000000000000 0.85547586589679 15.999 > 2 16 O 0.68797726036175 0.50000000000000 0.85547586589679 15.999 > 2 17 O 0.00000000000000 0.18797726036175 0.35547586589679 15.999 > 3 18 O 0.50000000000000 0.18797726036175 0.35547586589679 15.999 > 3 19 O 0.00000000000000 0.68797726036175 0.35547586589679 15.999 > 3 20 O 0.50000000000000 0.68797726036175 0.35547586589679 15.999 > 3 21 O 0.00000000000000 0.18797726036175 0.85547586589679 15.999 > 3 22 O 0.50000000000000 0.18797726036175 0.85547586589679 15.999 > 3 23 O 0.00000000000000 0.68797726036175 0.85547586589679 15.999 > 3 24 O 0.50000000000000 0.68797726036175 0.85547586589679 15.999 > 3 25 O 0.31202273963825 0.00000000000000 0.14452413410321 15.999 > 4 26 O 0.81202273963825 0.00000000000000 0.14452413410321 15.999 > 4 27 O 0.31202273963825 0.50000000000000 0.14452413410321 15.999 > 4 28 O 0.81202273963825 0.50000000000000 0.14452413410321 15.999 > 4 29 O 0.31202273963825 0.00000000000000 0.64452413410321 15.999 > 4 30 O 0.81202273963825 0.00000000000000 0.64452413410321 15.999 > 4 31 O 0.31202273963825 0.50000000000000 0.64452413410321 15.999 > 4 32 O 0.81202273963825 0.50000000000000 0.64452413410321 15.999 > 4 33 O 0.00000000000000 0.31202273963825 0.14452413410321 15.999 > 5 34 O 0.50000000000000 0.31202273963825 0.14452413410321 15.999 > 5 35 O 0.00000000000000 0.81202273963825 0.14452413410321 15.999 > 5 36 O 0.50000000000000 0.81202273963825 0.14452413410321 15.999 > 5 37 O 0.00000000000000 0.31202273963825 0.64452413410321 15.999 > 5 38 O 0.50000000000000 0.31202273963825 0.64452413410321 15.999 > 5 39 O 0.00000000000000 0.81202273963825 0.64452413410321 15.999 > 5 40 O 0.50000000000000 0.81202273963825 0.64452413410321 15.999 > 5 41 O 0.18797726036175 0.18797726036175 0.14452413410321 15.999 > 6 42 O 0.68797726036175 0.18797726036175 0.14452413410321 15.999 > 6 43 O 0.18797726036175 0.68797726036175 0.14452413410321 15.999 > 6 44 O 0.68797726036175 0.68797726036175 0.14452413410321 15.999 > 6 45 O 0.18797726036175 0.18797726036175 0.64452413410321 15.999 > 6 46 O 0.68797726036175 0.18797726036175 0.64452413410321 15.999 > 6 47 O 0.18797726036175 0.68797726036175 0.64452413410321 15.999 > 6 48 O 0.68797726036175 0.68797726036175 0.64452413410321 15.999 > 6 *49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 7 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 7 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 7 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 7 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 7 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 7 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 7 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 7 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 8 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 8 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 8 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 8 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 8 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 8 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 8 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 8 *65 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 9 66 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 9 67 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 9 68 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 9 69 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 9 70 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 9 71 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 9 72 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3599182 0.0000000 0.0000000 0.0000000 4.3599182 0.0000000 0.0000000 0.0000000 3.7500290 -------------------------- Born effective charges -------------------------- 1 O -2.2521411 0.3337941 -0.2269158 0.3337941 -1.8667088 -0.3930297 -0.2272695 -0.3936424 -1.5117513 2 O -1.6739927 -0.0000000 0.4538317 -0.0000000 -2.4448572 0.0000000 0.4545391 -0.0000000 -1.5117513 3 O -2.2521411 -0.3337941 -0.2269158 -0.3337941 -1.8667088 0.3930297 -0.2272695 0.3936424 -1.5117513 4 O -1.6739927 -0.0000000 0.4538317 -0.0000000 -2.4448572 0.0000000 0.4545391 -0.0000000 -1.5117513 5 O -2.2521411 -0.3337941 -0.2269158 -0.3337941 -1.8667088 0.3930297 -0.2272695 0.3936424 -1.5117513 6 O -2.2521411 0.3337941 -0.2269158 0.3337941 -1.8667088 -0.3930297 -0.2272695 -0.3936424 -1.5117513 7 As 4.9064612 0.0000000 0.0000000 -0.0000000 4.9064612 0.0000000 -0.0000000 0.0000000 2.9671058 8 As 4.9064612 0.0000000 0.0000000 -0.0000000 4.9064612 0.0000000 -0.0000000 0.0000000 2.9671058 9 Cd 2.5436274 0.0000000 0.0000000 0.0000000 2.5436274 0.0000000 -0.0000000 0.0000000 3.1362964 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.126 Solver_block: 160 / 160 - Time: 0.095 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.232 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 52 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (52, 49), data: True |-- (106, 104), data: True |-- (140, 136), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:15:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:15:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.867546611958051 0.000000000000000 0.000000000000000 b -2.433773305979026 4.215419020060548 0.000000000000000 c 0.000000000000000 0.000000000000000 4.888074070000000 Atomic positions (fractional): 1 O 0.62404547927650 0.62404547927650 0.71095173179358 15.999 2 O 0.37595452072350 0.00000000000000 0.71095173179358 15.999 3 O 0.00000000000000 0.37595452072350 0.71095173179358 15.999 4 O 0.62404547927650 0.00000000000000 0.28904826820642 15.999 5 O 0.00000000000000 0.62404547927650 0.28904826820642 15.999 6 O 0.37595452072350 0.37595452072350 0.28904826820642 15.999 7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.735093223916103 0.000000000000000 0.000000000000000 b -4.867546611958052 8.430838040121095 0.000000000000000 c 0.000000000000000 0.000000000000000 9.776148140000000 Atomic positions (fractional): 1 O 0.31202273963825 0.31202273963825 0.35547586589679 15.999 > 1 2 O 0.81202273963825 0.31202273963825 0.35547586589679 15.999 > 1 3 O 0.31202273963825 0.81202273963825 0.35547586589679 15.999 > 1 4 O 0.81202273963825 0.81202273963825 0.35547586589679 15.999 > 1 5 O 0.31202273963825 0.31202273963825 0.85547586589679 15.999 > 1 6 O 0.81202273963825 0.31202273963825 0.85547586589679 15.999 > 1 7 O 0.31202273963825 0.81202273963825 0.85547586589679 15.999 > 1 8 O 0.81202273963825 0.81202273963825 0.85547586589679 15.999 > 1 9 O 0.18797726036175 0.00000000000000 0.35547586589679 15.999 > 9 10 O 0.68797726036175 0.00000000000000 0.35547586589679 15.999 > 9 11 O 0.18797726036175 0.50000000000000 0.35547586589679 15.999 > 9 12 O 0.68797726036175 0.50000000000000 0.35547586589679 15.999 > 9 13 O 0.18797726036175 0.00000000000000 0.85547586589679 15.999 > 9 14 O 0.68797726036175 0.00000000000000 0.85547586589679 15.999 > 9 15 O 0.18797726036175 0.50000000000000 0.85547586589679 15.999 > 9 16 O 0.68797726036175 0.50000000000000 0.85547586589679 15.999 > 9 17 O 0.00000000000000 0.18797726036175 0.35547586589679 15.999 > 17 18 O 0.50000000000000 0.18797726036175 0.35547586589679 15.999 > 17 19 O 0.00000000000000 0.68797726036175 0.35547586589679 15.999 > 17 20 O 0.50000000000000 0.68797726036175 0.35547586589679 15.999 > 17 21 O 0.00000000000000 0.18797726036175 0.85547586589679 15.999 > 17 22 O 0.50000000000000 0.18797726036175 0.85547586589679 15.999 > 17 23 O 0.00000000000000 0.68797726036175 0.85547586589679 15.999 > 17 24 O 0.50000000000000 0.68797726036175 0.85547586589679 15.999 > 17 25 O 0.31202273963825 0.00000000000000 0.14452413410321 15.999 > 25 26 O 0.81202273963825 0.00000000000000 0.14452413410321 15.999 > 25 27 O 0.31202273963825 0.50000000000000 0.14452413410321 15.999 > 25 28 O 0.81202273963825 0.50000000000000 0.14452413410321 15.999 > 25 29 O 0.31202273963825 0.00000000000000 0.64452413410321 15.999 > 25 30 O 0.81202273963825 0.00000000000000 0.64452413410321 15.999 > 25 31 O 0.31202273963825 0.50000000000000 0.64452413410321 15.999 > 25 32 O 0.81202273963825 0.50000000000000 0.64452413410321 15.999 > 25 33 O 0.00000000000000 0.31202273963825 0.14452413410321 15.999 > 33 34 O 0.50000000000000 0.31202273963825 0.14452413410321 15.999 > 33 35 O 0.00000000000000 0.81202273963825 0.14452413410321 15.999 > 33 36 O 0.50000000000000 0.81202273963825 0.14452413410321 15.999 > 33 37 O 0.00000000000000 0.31202273963825 0.64452413410321 15.999 > 33 38 O 0.50000000000000 0.31202273963825 0.64452413410321 15.999 > 33 39 O 0.00000000000000 0.81202273963825 0.64452413410321 15.999 > 33 40 O 0.50000000000000 0.81202273963825 0.64452413410321 15.999 > 33 41 O 0.18797726036175 0.18797726036175 0.14452413410321 15.999 > 41 42 O 0.68797726036175 0.18797726036175 0.14452413410321 15.999 > 41 43 O 0.18797726036175 0.68797726036175 0.14452413410321 15.999 > 41 44 O 0.68797726036175 0.68797726036175 0.14452413410321 15.999 > 41 45 O 0.18797726036175 0.18797726036175 0.64452413410321 15.999 > 41 46 O 0.68797726036175 0.18797726036175 0.64452413410321 15.999 > 41 47 O 0.18797726036175 0.68797726036175 0.64452413410321 15.999 > 41 48 O 0.68797726036175 0.68797726036175 0.64452413410321 15.999 > 41 49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 49 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 49 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 49 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 49 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 49 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 49 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 49 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 65 66 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 65 67 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 65 68 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 65 69 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 65 70 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 65 71 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 65 72 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3599182 0.0000000 0.0000000 0.0000000 4.3599182 0.0000000 0.0000000 0.0000000 3.7500290 -------------------------- Born effective charges -------------------------- 1 O -2.2521411 0.3337941 -0.2269158 0.3337941 -1.8667088 -0.3930297 -0.2272695 -0.3936424 -1.5117513 2 O -1.6739927 -0.0000000 0.4538317 -0.0000000 -2.4448572 0.0000000 0.4545391 -0.0000000 -1.5117513 3 O -2.2521411 -0.3337941 -0.2269158 -0.3337941 -1.8667088 0.3930297 -0.2272695 0.3936424 -1.5117513 4 O -1.6739927 -0.0000000 0.4538317 -0.0000000 -2.4448572 0.0000000 0.4545391 -0.0000000 -1.5117513 5 O -2.2521411 -0.3337941 -0.2269158 -0.3337941 -1.8667088 0.3930297 -0.2272695 0.3936424 -1.5117513 6 O -2.2521411 0.3337941 -0.2269158 0.3337941 -1.8667088 -0.3930297 -0.2272695 -0.3936424 -1.5117513 7 As 4.9064612 0.0000000 0.0000000 -0.0000000 4.9064612 0.0000000 -0.0000000 0.0000000 2.9671058 8 As 4.9064612 0.0000000 0.0000000 -0.0000000 4.9064612 0.0000000 -0.0000000 0.0000000 2.9671058 9 Cd 2.5436274 0.0000000 0.0000000 0.0000000 2.5436274 0.0000000 -0.0000000 0.0000000 3.1362964 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000046 (zxz) 0.00000046 (zxz) 0.00000046 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000118 (xz) 0.00000118 (xz) 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 22:15:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:15:58]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.867546611958051 0.000000000000000 0.000000000000000 b -2.433773305979026 4.215419020060548 0.000000000000000 c 0.000000000000000 0.000000000000000 4.888074070000000 Atomic positions (fractional): 1 O 0.62404547927650 0.62404547927650 0.71095173179358 15.999 2 O 0.37595452072350 0.00000000000000 0.71095173179358 15.999 3 O 0.00000000000000 0.37595452072350 0.71095173179358 15.999 4 O 0.62404547927650 0.00000000000000 0.28904826820642 15.999 5 O 0.00000000000000 0.62404547927650 0.28904826820642 15.999 6 O 0.37595452072350 0.37595452072350 0.28904826820642 15.999 7 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 8 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 9 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.735093223916103 0.000000000000000 0.000000000000000 b -4.867546611958052 8.430838040121095 0.000000000000000 c 0.000000000000000 0.000000000000000 9.776148140000000 Atomic positions (fractional): 1 O 0.31202273963825 0.31202273963825 0.35547586589679 15.999 > 1 2 O 0.81202273963825 0.31202273963825 0.35547586589679 15.999 > 1 3 O 0.31202273963825 0.81202273963825 0.35547586589679 15.999 > 1 4 O 0.81202273963825 0.81202273963825 0.35547586589679 15.999 > 1 5 O 0.31202273963825 0.31202273963825 0.85547586589679 15.999 > 1 6 O 0.81202273963825 0.31202273963825 0.85547586589679 15.999 > 1 7 O 0.31202273963825 0.81202273963825 0.85547586589679 15.999 > 1 8 O 0.81202273963825 0.81202273963825 0.85547586589679 15.999 > 1 9 O 0.18797726036175 0.00000000000000 0.35547586589679 15.999 > 9 10 O 0.68797726036175 0.00000000000000 0.35547586589679 15.999 > 9 11 O 0.18797726036175 0.50000000000000 0.35547586589679 15.999 > 9 12 O 0.68797726036175 0.50000000000000 0.35547586589679 15.999 > 9 13 O 0.18797726036175 0.00000000000000 0.85547586589679 15.999 > 9 14 O 0.68797726036175 0.00000000000000 0.85547586589679 15.999 > 9 15 O 0.18797726036175 0.50000000000000 0.85547586589679 15.999 > 9 16 O 0.68797726036175 0.50000000000000 0.85547586589679 15.999 > 9 17 O 0.00000000000000 0.18797726036175 0.35547586589679 15.999 > 17 18 O 0.50000000000000 0.18797726036175 0.35547586589679 15.999 > 17 19 O 0.00000000000000 0.68797726036175 0.35547586589679 15.999 > 17 20 O 0.50000000000000 0.68797726036175 0.35547586589679 15.999 > 17 21 O 0.00000000000000 0.18797726036175 0.85547586589679 15.999 > 17 22 O 0.50000000000000 0.18797726036175 0.85547586589679 15.999 > 17 23 O 0.00000000000000 0.68797726036175 0.85547586589679 15.999 > 17 24 O 0.50000000000000 0.68797726036175 0.85547586589679 15.999 > 17 25 O 0.31202273963825 0.00000000000000 0.14452413410321 15.999 > 25 26 O 0.81202273963825 0.00000000000000 0.14452413410321 15.999 > 25 27 O 0.31202273963825 0.50000000000000 0.14452413410321 15.999 > 25 28 O 0.81202273963825 0.50000000000000 0.14452413410321 15.999 > 25 29 O 0.31202273963825 0.00000000000000 0.64452413410321 15.999 > 25 30 O 0.81202273963825 0.00000000000000 0.64452413410321 15.999 > 25 31 O 0.31202273963825 0.50000000000000 0.64452413410321 15.999 > 25 32 O 0.81202273963825 0.50000000000000 0.64452413410321 15.999 > 25 33 O 0.00000000000000 0.31202273963825 0.14452413410321 15.999 > 33 34 O 0.50000000000000 0.31202273963825 0.14452413410321 15.999 > 33 35 O 0.00000000000000 0.81202273963825 0.14452413410321 15.999 > 33 36 O 0.50000000000000 0.81202273963825 0.14452413410321 15.999 > 33 37 O 0.00000000000000 0.31202273963825 0.64452413410321 15.999 > 33 38 O 0.50000000000000 0.31202273963825 0.64452413410321 15.999 > 33 39 O 0.00000000000000 0.81202273963825 0.64452413410321 15.999 > 33 40 O 0.50000000000000 0.81202273963825 0.64452413410321 15.999 > 33 41 O 0.18797726036175 0.18797726036175 0.14452413410321 15.999 > 41 42 O 0.68797726036175 0.18797726036175 0.14452413410321 15.999 > 41 43 O 0.18797726036175 0.68797726036175 0.14452413410321 15.999 > 41 44 O 0.68797726036175 0.68797726036175 0.14452413410321 15.999 > 41 45 O 0.18797726036175 0.18797726036175 0.64452413410321 15.999 > 41 46 O 0.68797726036175 0.18797726036175 0.64452413410321 15.999 > 41 47 O 0.18797726036175 0.68797726036175 0.64452413410321 15.999 > 41 48 O 0.68797726036175 0.68797726036175 0.64452413410321 15.999 > 41 49 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 49 50 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 49 51 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 49 52 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 49 53 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 49 54 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 49 55 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 49 56 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 49 57 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 57 58 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 57 59 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 57 60 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 57 61 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 57 62 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 57 63 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 57 64 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 57 65 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 65 66 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 65 67 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 65 68 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 65 69 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 65 70 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 65 71 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 65 72 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3599182 0.0000000 0.0000000 0.0000000 4.3599182 0.0000000 0.0000000 0.0000000 3.7500290 -------------------------- Born effective charges -------------------------- 1 O -2.2521411 0.3337941 -0.2269158 0.3337941 -1.8667088 -0.3930297 -0.2272695 -0.3936424 -1.5117513 2 O -1.6739927 -0.0000000 0.4538317 -0.0000000 -2.4448572 0.0000000 0.4545391 -0.0000000 -1.5117513 3 O -2.2521411 -0.3337941 -0.2269158 -0.3337941 -1.8667088 0.3930297 -0.2272695 0.3936424 -1.5117513 4 O -1.6739927 -0.0000000 0.4538317 -0.0000000 -2.4448572 0.0000000 0.4545391 -0.0000000 -1.5117513 5 O -2.2521411 -0.3337941 -0.2269158 -0.3337941 -1.8667088 0.3930297 -0.2272695 0.3936424 -1.5117513 6 O -2.2521411 0.3337941 -0.2269158 0.3337941 -1.8667088 -0.3930297 -0.2272695 -0.3936424 -1.5117513 7 As 4.9064612 0.0000000 0.0000000 -0.0000000 4.9064612 0.0000000 -0.0000000 0.0000000 2.9671058 8 As 4.9064612 0.0000000 0.0000000 -0.0000000 4.9064612 0.0000000 -0.0000000 0.0000000 2.9671058 9 Cd 2.5436274 0.0000000 0.0000000 0.0000000 2.5436274 0.0000000 -0.0000000 0.0000000 3.1362964 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000046 (zxz) 0.00000046 (zxz) 0.00000046 (zzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 10 ] 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: 0.89, Number of G-points: 315, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/162) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 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 3.982 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 0.000) 0.000 15.304 ( 0.000 0.000 0.000) 0.000 17.607 ( 0.000 0.000 0.000) 0.000 17.607 ( 0.000 0.000 0.000) 0.000 18.142 ( 0.000 0.000 0.000) 0.000 18.883 ( 0.000 0.000 0.000) 0.000 20.141 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 21.524 ( 0.000 0.000 0.000) 0.000 21.524 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/162) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 23.910 13.804 0.000) 27.609 0.776 ( 33.418 19.294 0.000) 38.587 1.435 ( 61.181 35.323 0.000) 70.646 3.905 ( -6.287 -3.630 0.000) 7.260 4.011 ( -3.964 -2.289 0.000) 4.577 4.291 ( -0.218 -0.126 0.000) 0.252 5.748 ( 2.496 1.441 0.000) 2.883 7.941 ( 0.763 0.440 0.000) 0.881 7.943 ( 1.310 0.757 0.000) 1.513 9.883 ( -7.566 -4.369 0.000) 8.737 10.145 ( 0.342 0.198 0.000) 0.395 11.124 ( -9.165 -5.291 0.000) 10.583 11.544 ( -2.492 -1.439 0.000) 2.877 11.824 ( 1.350 0.780 0.000) 1.559 11.860 ( 2.701 1.560 0.000) 3.119 15.114 ( -2.837 -1.638 0.000) 3.276 15.148 ( -0.676 -0.391 0.000) 0.781 15.421 ( 9.175 5.297 0.000) 10.595 17.520 ( -6.451 -3.724 0.000) 7.449 17.668 ( 5.221 3.015 0.000) 6.029 18.203 ( 4.182 2.414 0.000) 4.829 18.796 ( -7.358 -4.248 0.000) 8.497 20.153 ( 0.821 0.474 0.000) 0.948 20.990 ( -3.607 -2.083 0.000) 4.165 21.359 ( -0.079 -0.046 0.000) 0.092 21.536 ( 0.880 0.508 0.000) 1.016 21.552 ( 2.281 1.317 0.000) 2.633 ======================= Grid point 2 (3/162) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 25.485 14.714 0.000) 29.427 1.513 ( 30.960 17.875 0.000) 35.750 2.714 ( 47.391 27.361 0.000) 54.722 3.723 ( -9.051 -5.225 0.000) 10.451 3.904 ( -4.785 -2.762 0.000) 5.525 4.355 ( 9.210 5.318 0.000) 10.635 5.798 ( 1.091 0.630 0.000) 1.260 7.949 ( -0.264 -0.153 0.000) 0.305 7.993 ( 3.151 1.819 0.000) 3.639 9.649 ( -12.307 -7.105 0.000) 14.211 10.162 ( 1.019 0.588 0.000) 1.176 10.858 ( -13.839 -7.990 0.000) 15.980 11.358 ( -13.249 -7.650 0.000) 15.299 11.925 ( 6.615 3.819 0.000) 7.638 11.939 ( 3.978 2.296 0.000) 4.593 15.038 ( -3.756 -2.169 0.000) 4.337 15.131 ( -0.683 -0.394 0.000) 0.789 15.697 ( 14.537 8.393 0.000) 16.786 17.362 ( -6.612 -3.817 0.000) 7.635 17.834 ( 8.985 5.188 0.000) 10.375 18.280 ( 1.418 0.819 0.000) 1.638 18.574 ( -11.071 -6.392 0.000) 12.784 20.165 ( -0.184 -0.106 0.000) 0.213 20.898 ( -3.776 -2.180 0.000) 4.360 21.354 ( -0.373 -0.215 0.000) 0.431 21.553 ( 0.366 0.212 0.000) 0.423 21.619 ( 3.375 1.948 0.000) 3.897 ======================= Grid point 3 (4/162) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 25.051 14.463 0.000) 28.926 2.183 ( 27.732 16.011 0.000) 32.022 3.373 ( 9.986 5.765 0.000) 11.530 3.516 ( -8.714 -5.031 0.000) 10.062 3.822 ( -1.787 -1.032 0.000) 2.064 4.933 ( 41.814 24.142 0.000) 48.283 5.760 ( -5.224 -3.016 0.000) 6.032 7.932 ( -0.884 -0.510 0.000) 1.021 8.090 ( 5.348 3.088 0.000) 6.175 9.355 ( -12.689 -7.326 0.000) 14.652 10.181 ( 0.277 0.160 0.000) 0.320 10.501 ( -17.291 -9.983 0.000) 19.966 10.971 ( -20.135 -11.625 0.000) 23.250 12.034 ( 4.172 2.409 0.000) 4.818 12.092 ( 7.566 4.368 0.000) 8.737 14.945 ( -4.373 -2.525 0.000) 5.049 15.120 ( -0.268 -0.155 0.000) 0.309 16.057 ( 16.327 9.426 0.000) 18.852 17.244 ( -3.290 -1.899 0.000) 3.799 18.063 ( 10.745 6.204 0.000) 12.407 18.174 ( -11.230 -6.484 0.000) 12.967 18.395 ( -3.619 -2.090 0.000) 4.179 20.125 ( -3.583 -2.069 0.000) 4.137 20.843 ( -0.794 -0.459 0.000) 0.917 21.343 ( -0.592 -0.342 0.000) 0.683 21.549 ( -0.715 -0.413 0.000) 0.826 21.696 ( 3.222 1.860 0.000) 3.721 ======================= Grid point 4 (5/162) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 19.604 11.318 0.000) 22.636 2.779 ( 23.650 13.655 0.000) 27.309 3.340 ( -5.762 -3.327 0.000) 6.654 3.404 ( -3.208 -1.852 0.000) 3.704 3.841 ( 3.672 2.120 0.000) 4.240 5.536 ( -14.465 -8.352 0.000) 16.703 6.032 ( 50.316 29.050 0.000) 58.100 7.924 ( 0.360 0.208 0.000) 0.415 8.228 ( 6.242 3.604 0.000) 7.208 9.098 ( -9.305 -5.372 0.000) 10.744 10.073 ( -20.213 -11.670 0.000) 23.340 10.163 ( -1.829 -1.056 0.000) 2.112 10.469 ( -22.760 -13.141 0.000) 26.281 12.127 ( 3.892 2.247 0.000) 4.494 12.255 ( 6.402 3.696 0.000) 7.393 14.845 ( -4.151 -2.397 0.000) 4.793 15.118 ( 0.041 0.024 0.000) 0.048 16.397 ( 12.203 7.045 0.000) 14.091 17.236 ( 3.151 1.819 0.000) 3.638 17.896 ( -11.411 -6.588 0.000) 13.176 18.305 ( -5.258 -3.036 0.000) 6.072 18.308 ( 10.316 5.956 0.000) 11.912 20.008 ( -6.185 -3.571 0.000) 7.142 20.859 ( 1.854 1.071 0.000) 2.141 21.327 ( -0.790 -0.456 0.000) 0.912 21.524 ( -1.319 -0.761 0.000) 1.523 21.761 ( 2.351 1.357 0.000) 2.715 ======================= Grid point 5 (6/162) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 12.953 7.479 0.000) 14.957 3.024 ( -4.142 -2.391 0.000) 4.783 3.319 ( -3.307 -1.909 0.000) 3.818 3.440 ( 13.673 7.894 0.000) 15.788 4.014 ( 12.719 7.343 0.000) 14.687 5.115 ( -21.560 -12.448 0.000) 24.895 7.134 ( 44.887 25.915 0.000) 51.831 7.944 ( 1.123 0.649 0.000) 1.297 8.317 ( -1.105 -0.638 0.000) 1.276 8.942 ( -4.371 -2.524 0.000) 5.048 9.590 ( -20.411 -11.785 0.000) 23.569 10.007 ( -15.881 -9.169 0.000) 18.338 10.109 ( -2.447 -1.413 0.000) 2.826 12.203 ( 2.594 1.497 0.000) 2.995 12.372 ( 3.676 2.123 0.000) 4.245 14.765 ( -2.640 -1.524 0.000) 3.049 15.119 ( 0.090 0.052 0.000) 0.104 16.580 ( 4.055 2.341 0.000) 4.682 17.390 ( 9.152 5.284 0.000) 10.567 17.690 ( -6.295 -3.635 0.000) 7.269 18.152 ( -7.589 -4.381 0.000) 8.763 18.512 ( 6.947 4.011 0.000) 8.022 19.871 ( -5.099 -2.944 0.000) 5.888 20.907 ( 1.972 1.139 0.000) 2.277 21.308 ( -0.794 -0.458 0.000) 0.917 21.496 ( -0.969 -0.560 0.000) 1.119 21.801 ( 1.207 0.697 0.000) 1.394 ======================= Grid point 6 (7/162) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.000 -0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 4.325 ( -0.000 -0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 0.000) 0.000 7.977 ( -0.000 -0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 14.734 ( 0.000 0.000 0.000) 0.000 15.121 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 17.534 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 0.000) 0.000 18.034 ( 0.000 0.000 0.000) 0.000 18.596 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 0.000 0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 0.000) 0.000 21.485 ( 0.000 0.000 0.000) 0.000 21.815 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/162) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.717 25.490 -0.350) 29.436 1.338 ( 18.989 32.889 -5.984) 38.446 2.397 ( 30.626 53.046 4.694) 61.432 3.785 ( -4.598 -7.963 5.922) 10.937 3.933 ( -2.810 -4.867 -0.018) 5.620 4.305 ( 1.901 3.292 -5.492) 6.679 5.790 ( 1.259 2.180 0.844) 2.655 7.941 ( 0.567 0.981 -3.131) 3.330 7.983 ( 0.893 1.547 0.866) 1.985 9.732 ( -6.120 -10.600 0.534) 12.251 10.133 ( -0.634 -1.098 2.949) 3.210 10.948 ( -6.848 -11.861 -0.138) 13.697 11.588 ( 0.378 0.655 -2.634) 2.740 11.620 ( -5.729 -9.923 -0.425) 11.466 12.032 ( 5.013 8.683 0.952) 10.071 14.933 ( -4.168 -7.219 -3.530) 9.053 15.426 ( 7.343 12.718 -1.358) 14.748 15.445 ( 1.963 3.400 4.078) 5.661 17.398 ( -4.417 -7.650 2.702) 9.238 17.782 ( 4.633 8.025 -3.902) 10.054 18.269 ( 1.916 3.319 0.547) 3.871 18.640 ( -6.212 -10.759 5.333) 13.520 20.177 ( 0.936 1.622 -0.014) 1.873 20.921 ( -2.652 -4.593 -16.768) 17.587 21.357 ( -0.157 -0.272 -0.424) 0.528 21.487 ( -1.029 -1.782 -3.808) 4.329 21.654 ( 2.952 5.113 16.973) 17.971 ======================= Grid point 15 (9/162) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 19.600 24.556 -0.902) 31.432 1.984 ( 20.554 27.127 -4.575) 34.340 3.238 ( 17.613 19.693 4.039) 26.727 3.618 ( -6.941 -4.389 5.520) 9.895 3.845 ( -2.508 -2.635 -0.144) 3.640 4.589 ( 23.569 21.667 -4.966) 32.398 5.802 ( -1.732 -0.718 1.766) 2.576 7.958 ( -1.489 1.465 -1.612) 2.638 8.019 ( 3.987 0.038 -0.339) 4.002 9.487 ( -10.402 -8.781 0.695) 13.631 10.105 ( 1.073 -6.173 3.614) 7.234 10.669 ( -12.068 -11.080 -0.197) 16.384 11.272 ( -21.476 -2.428 -1.274) 21.650 11.713 ( 13.965 -11.882 -2.297) 18.479 12.200 ( 2.681 12.083 -0.097) 12.377 14.818 ( 0.387 -10.317 -2.896) 10.723 15.390 ( -11.386 14.199 2.636) 18.391 15.816 ( 20.143 6.340 -0.538) 21.124 17.251 ( -3.549 -6.935 3.173) 8.412 17.943 ( 5.227 2.769 -6.341) 8.672 18.292 ( -3.029 0.584 1.513) 3.436 18.437 ( -4.534 -4.782 6.338) 9.144 20.193 ( -2.345 2.584 -0.297) 3.502 20.830 ( -1.621 -4.854 -12.877) 13.856 21.348 ( -0.434 -0.450 -0.519) 0.813 21.468 ( 2.082 -4.634 -6.417) 8.185 21.742 ( 0.734 6.517 16.368) 17.633 ======================= Grid point 16 (10/162) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 17.627 23.772 -1.767) 29.647 2.555 ( 19.445 18.531 -3.028) 27.031 3.416 ( -0.846 -1.534 -1.138) 2.089 3.480 ( -7.854 3.505 4.614) 9.760 3.818 ( 1.312 0.781 1.946) 2.474 5.486 ( 41.027 28.604 -2.383) 50.071 5.694 ( -6.213 -1.943 3.107) 7.213 7.927 ( -1.612 -0.834 1.322) 2.245 8.122 ( 7.141 0.257 -2.276) 7.499 9.237 ( -10.490 -3.897 0.322) 11.195 10.007 ( -1.760 -15.703 4.022) 16.306 10.346 ( -13.225 -7.794 -0.360) 15.355 10.842 ( -25.918 -1.044 -1.922) 26.010 11.831 ( 14.102 -13.151 -1.756) 19.362 12.361 ( 1.249 13.326 -1.364) 13.454 14.732 ( 1.949 -11.420 -2.157) 11.784 15.341 ( -10.395 13.949 2.163) 17.530 16.219 ( 17.363 8.019 -0.261) 19.127 17.163 ( 1.599 -6.020 2.920) 6.879 17.881 ( -4.062 -14.932 -2.709) 15.710 18.251 ( -2.036 -0.539 0.993) 2.329 18.454 ( 0.725 13.240 2.037) 13.415 20.127 ( -7.966 1.982 -0.776) 8.246 20.793 ( 3.052 -4.932 -7.452) 9.443 21.334 ( -0.588 -0.577 -0.713) 1.089 21.456 ( 2.437 -5.695 -7.350) 9.612 21.808 ( -0.567 6.568 13.897) 15.381 ======================= Grid point 17 (11/162) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 9.238 18.501 -1.975) 20.774 2.984 ( 13.422 6.154 -2.517) 14.979 3.310 ( -5.139 -3.963 -6.550) 9.221 3.466 ( -2.171 12.415 6.484) 14.174 3.934 ( 7.702 8.693 3.567) 12.149 5.361 ( -18.876 -8.904 2.225) 20.989 6.582 ( 46.506 24.976 0.780) 52.795 7.903 ( 1.320 -3.269 2.697) 4.439 8.233 ( 5.759 -3.167 -2.245) 6.946 9.075 ( -7.832 3.549 -1.071) 8.665 9.701 ( -11.417 -20.235 2.839) 23.406 10.093 ( -8.776 -7.627 0.920) 11.663 10.415 ( -23.966 4.908 -2.683) 24.610 11.931 ( 13.240 -14.219 -0.976) 19.454 12.496 ( -0.862 12.886 -2.384) 13.133 14.660 ( 2.707 -11.002 -1.525) 11.433 15.311 ( -9.179 13.833 1.606) 16.679 16.515 ( 8.224 5.366 0.912) 9.862 17.221 ( 11.108 -3.401 1.772) 11.751 17.653 ( -3.281 -14.626 0.177) 14.991 18.147 ( -4.449 -8.401 1.054) 9.564 18.654 ( 0.057 21.622 -2.419) 21.757 19.980 ( -9.564 0.226 0.112) 9.567 20.823 ( 5.506 -5.098 -4.557) 8.779 21.316 ( -0.743 -0.601 -1.013) 1.393 21.440 ( 2.156 -5.414 -6.703) 8.882 21.853 ( -1.494 5.975 11.578) 13.115 ======================= Grid point 18 (12/162) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 4.022 6.846 -1.461) 8.074 3.076 ( -8.960 11.909 0.161) 14.904 3.229 ( 1.774 -5.915 -8.009) 10.114 3.602 ( 2.650 5.803 2.649) 6.908 4.282 ( 14.683 19.759 5.227) 25.166 4.885 ( -23.021 -10.607 2.358) 25.456 7.526 ( 39.782 12.041 2.172) 41.621 7.901 ( 3.054 -5.649 3.537) 7.332 8.149 ( -8.636 -15.010 -0.581) 17.326 9.033 ( -6.144 10.491 -4.382) 12.924 9.346 ( -7.858 -9.777 0.602) 12.558 9.882 ( -7.843 -1.722 2.185) 8.322 10.180 ( -9.727 5.892 -2.186) 11.581 11.994 ( 11.034 -15.667 -0.469) 19.168 12.576 ( -4.063 11.280 -2.934) 12.343 14.614 ( 4.152 -9.722 -1.157) 10.634 15.299 ( -8.339 13.853 1.272) 16.219 16.616 ( 1.097 1.470 1.680) 2.487 17.421 ( 13.136 -5.822 1.951) 14.500 17.518 ( 1.511 -8.070 -0.024) 8.211 17.970 ( -3.334 -9.884 1.252) 10.506 18.826 ( -6.674 22.041 -5.067) 23.580 19.845 ( -4.943 -0.002 1.853) 5.279 20.860 ( 4.919 -6.168 -3.589) 8.667 21.300 ( -0.446 -0.278 -1.261) 1.366 21.427 ( 2.297 -4.656 -5.952) 7.898 21.875 ( -2.391 5.275 10.280) 11.800 ======================= Grid point 27 (13/162) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 16.825 29.142 -2.142) 33.719 2.485 ( 12.288 21.284 -4.587) 25.001 3.411 ( 0.111 0.191 0.691) 0.725 3.594 ( 1.772 3.069 5.773) 6.773 3.805 ( -0.782 -1.354 1.975) 2.519 5.246 ( 24.184 41.888 -3.041) 48.463 5.747 ( -3.158 -5.469 3.265) 7.109 7.953 ( -2.148 -3.720 3.368) 5.459 8.040 ( 2.262 3.918 -4.799) 6.595 9.320 ( -4.325 -7.490 0.195) 8.651 9.933 ( -6.467 -11.202 4.766) 13.785 10.420 ( -7.898 -13.680 0.178) 15.797 11.173 ( -5.843 -10.121 -0.416) 11.694 11.537 ( -2.178 -3.772 -4.425) 6.208 12.418 ( 5.831 10.100 -1.656) 11.779 14.652 ( -3.933 -6.812 -2.313) 8.199 15.563 ( 1.887 3.268 2.525) 4.540 16.050 ( 9.944 17.224 -0.747) 19.903 17.112 ( -3.726 -6.454 4.547) 8.731 17.838 ( -6.698 -11.600 -4.769) 14.219 18.271 ( -2.191 -3.795 0.973) 4.489 18.515 ( 6.965 12.064 4.529) 14.648 20.236 ( 0.439 0.761 0.127) 0.888 20.717 ( -3.351 -5.805 -13.516) 15.087 21.336 ( -0.408 -0.706 -0.988) 1.281 21.400 ( -1.327 -2.299 -5.838) 6.413 21.851 ( 2.577 4.463 16.247) 17.045 ======================= Grid point 28 (14/162) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 10.206 26.228 -4.417) 28.488 2.802 ( 12.334 6.481 -3.125) 14.279 3.348 ( -3.239 -4.069 -0.016) 5.201 3.695 ( -5.617 14.765 2.699) 16.026 3.871 ( 10.103 7.027 3.547) 12.807 5.557 ( -11.826 -6.943 3.925) 14.265 6.130 ( 34.559 30.247 0.451) 45.928 7.858 ( -2.058 -6.277 4.741) 8.131 8.126 ( 3.806 0.052 -4.119) 5.608 9.215 ( -4.078 1.758 -1.806) 4.795 9.660 ( -7.978 -18.058 4.154) 20.174 10.160 ( -7.986 -9.625 0.992) 12.546 10.882 ( -22.091 3.055 -1.441) 22.348 11.546 ( 12.112 -15.219 -3.812) 19.820 12.597 ( 2.954 10.472 -3.004) 11.287 14.540 ( -0.667 -7.940 -1.615) 8.130 15.586 ( -5.658 10.077 1.572) 11.663 16.407 ( 12.465 11.172 0.945) 16.765 17.025 ( 2.703 -7.391 4.735) 9.184 17.590 ( -5.873 -13.360 -2.603) 14.824 18.154 ( -4.854 -7.527 0.785) 8.991 18.806 ( 6.900 19.768 0.272) 20.940 20.180 ( -9.497 2.708 -0.249) 9.878 20.643 ( 4.438 -9.969 -9.240) 14.298 21.321 ( -0.537 -0.652 -1.566) 1.779 21.369 ( 0.563 -3.062 -6.192) 6.931 21.921 ( 0.405 4.700 14.728) 15.465 ======================= Grid point 29 (15/162) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.327 6.129 -2.620) 6.673 3.094 ( 7.412 -0.219 -13.181) 15.124 3.325 ( 0.295 14.242 6.437) 15.631 3.699 ( -6.081 8.635 2.783) 10.921 4.232 ( 14.065 19.700 3.499) 24.458 5.198 ( -21.395 -7.022 4.562) 22.975 6.976 ( 36.793 14.616 2.812) 39.689 7.779 ( 1.621 -8.659 5.991) 10.654 8.101 ( -2.784 -10.983 -1.669) 11.453 9.212 ( -3.076 8.249 -4.664) 9.963 9.366 ( -6.571 -11.685 0.754) 13.427 9.988 ( -5.100 -0.789 2.622) 5.788 10.529 ( -22.367 5.504 -2.387) 23.158 11.607 ( 13.732 -18.368 -2.808) 23.105 12.719 ( -0.404 9.445 -3.873) 10.216 14.471 ( 1.688 -7.873 -1.087) 8.125 15.585 ( -7.585 13.067 1.045) 15.145 16.615 ( 2.324 4.649 3.189) 6.098 17.088 ( 12.694 -10.015 4.844) 16.879 17.432 ( 0.492 -5.912 -2.920) 6.613 17.964 ( -6.432 -10.175 0.381) 12.044 19.106 ( 2.117 23.369 -3.457) 23.718 19.998 ( -12.295 1.229 1.021) 12.398 20.651 ( 8.228 -12.073 -6.074) 15.822 21.306 ( -0.559 -0.415 -2.239) 2.345 21.355 ( 1.292 -2.940 -5.917) 6.732 21.960 ( -1.174 4.570 13.420) 14.225 ======================= Grid point 30 (16/162) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -0.873 1.512 -2.801) 3.301 3.104 ( 3.620 -6.269 -9.658) 12.070 3.467 ( -13.296 23.029 0.902) 26.607 3.677 ( -1.673 2.898 3.698) 4.987 4.671 ( 1.902 -3.294 1.966) 4.282 4.756 ( -10.483 18.157 7.074) 22.127 7.537 ( 7.997 -13.851 3.274) 16.325 7.722 ( 4.873 -8.441 7.621) 12.372 7.883 ( 4.761 -8.247 0.021) 9.523 9.242 ( 0.772 -1.336 -0.666) 1.681 9.244 ( -4.549 7.879 -7.792) 11.979 9.962 ( -5.427 9.401 3.730) 11.478 10.327 ( -5.589 9.680 -2.730) 11.506 11.636 ( 11.671 -20.214 -2.448) 23.469 12.763 ( -4.296 7.441 -4.171) 9.551 14.445 ( 3.966 -6.869 -0.886) 7.981 15.585 ( -8.049 13.942 0.885) 16.123 16.644 ( -0.938 1.625 3.678) 4.129 17.145 ( 8.952 -15.505 5.487) 18.725 17.466 ( 1.264 -2.189 -3.285) 4.145 17.814 ( 3.213 -5.565 0.093) 6.427 19.266 ( -11.953 20.704 -6.591) 24.799 19.871 ( -1.819 3.150 3.635) 5.142 20.664 ( 7.663 -13.273 -5.276) 16.209 21.298 ( -0.025 0.043 -2.510) 2.510 21.352 ( 1.571 -2.721 -5.702) 6.511 21.972 ( -2.376 4.115 12.924) 13.770 ======================= Grid point 41 (17/162) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.799 1.383 -2.086) 2.627 3.010 ( 3.959 6.857 -14.721) 16.715 3.379 ( 7.469 12.937 8.947) 17.413 3.838 ( 1.883 3.261 4.600) 5.945 4.199 ( 11.372 19.696 -0.365) 22.746 5.376 ( -6.497 -11.253 5.149) 13.977 6.696 ( 15.552 26.938 3.148) 31.264 7.715 ( -4.054 -7.022 6.819) 10.594 8.066 ( -4.630 -8.019 -1.985) 9.470 9.289 ( 2.482 4.299 -5.837) 7.662 9.352 ( -6.482 -11.227 2.072) 13.129 10.029 ( -1.064 -1.843 2.538) 3.312 10.873 ( -4.063 -7.038 0.102) 8.127 11.283 ( -4.969 -8.606 -6.103) 11.662 12.770 ( 3.984 6.901 -4.179) 8.998 14.415 ( -2.749 -4.761 -0.993) 5.586 15.735 ( 3.004 5.202 0.638) 6.041 16.626 ( 5.195 8.998 3.857) 11.083 16.900 ( -2.418 -4.188 5.526) 7.343 17.396 ( -2.925 -5.066 -3.794) 6.973 17.970 ( -6.251 -10.826 0.246) 12.504 19.200 ( 11.383 19.715 -1.587) 22.821 20.197 ( -1.655 -2.867 1.146) 3.503 20.436 ( -5.113 -8.857 -8.362) 13.210 21.310 ( -0.290 -0.503 -2.524) 2.590 21.329 ( -0.673 -1.166 -5.731) 5.887 21.994 ( 1.553 2.690 14.167) 14.503 ======================= Grid point 42 (18/162) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -0.447 2.198 -3.920) 4.516 3.001 ( 0.710 -5.819 -9.849) 11.461 3.684 ( 5.114 11.027 4.905) 13.108 3.902 ( -6.434 17.752 3.595) 19.221 4.505 ( 9.982 2.059 1.266) 10.270 5.147 ( -12.989 3.825 4.458) 14.255 7.197 ( 20.366 9.621 4.581) 22.985 7.609 ( -0.161 -7.285 8.094) 10.891 7.792 ( -8.577 -18.946 1.902) 20.884 9.243 ( -0.811 -0.255 -1.660) 1.865 9.326 ( -1.165 0.693 -6.916) 7.048 10.132 ( 3.296 15.309 2.397) 15.842 10.603 ( -18.499 0.961 -1.283) 18.568 11.223 ( 11.021 -19.243 -5.184) 22.774 12.863 ( -0.094 5.046 -4.780) 6.951 14.352 ( 0.473 -4.078 -0.597) 4.149 15.800 ( -2.786 8.002 0.165) 8.475 16.695 ( -2.342 3.463 5.498) 6.906 16.885 ( 6.168 -8.804 5.886) 12.256 17.414 ( 4.300 3.344 -3.877) 6.686 17.750 ( -4.897 -11.150 -0.695) 12.198 19.560 ( 4.480 22.230 -5.043) 23.230 20.019 ( -14.056 0.835 1.792) 14.194 20.361 ( 9.125 -16.841 -4.907) 19.773 21.301 ( -0.306 -0.061 -3.446) 3.461 21.317 ( 0.454 -1.174 -5.217) 5.367 22.029 ( -0.352 2.353 13.680) 13.885 ======================= Grid point 54 (19/162) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -1.991 -3.449 -6.628) 7.732 2.901 ( 1.991 3.449 -6.628) 7.732 3.761 ( -0.000 -0.000 4.929) 4.929 4.309 ( -9.158 -15.862 3.002) 18.560 4.309 ( 9.158 15.862 3.002) 18.560 5.234 ( -0.000 -0.000 1.837) 1.837 7.432 ( -7.610 -13.180 4.482) 15.866 7.432 ( 7.610 13.180 4.482) 15.866 7.534 ( -0.000 -0.000 8.889) 8.889 9.286 ( -1.688 -2.924 -4.477) 5.607 9.286 ( 1.688 2.924 -4.477) 5.607 10.480 ( -7.592 -13.150 0.977) 15.216 10.480 ( 7.592 13.150 0.977) 15.216 10.984 ( -0.000 -0.000 -7.925) 7.925 12.914 ( -0.000 -0.000 -5.085) 5.085 14.311 ( -0.000 -0.000 -0.392) 0.392 15.882 ( -0.000 -0.000 -0.252) 0.252 16.762 ( -2.001 -3.465 6.092) 7.289 16.762 ( 2.001 3.465 6.092) 7.289 17.543 ( -4.553 -7.885 -2.396) 9.415 17.543 ( 4.553 7.885 -2.396) 9.415 19.931 ( -0.000 -0.000 -14.322) 14.322 20.035 ( -2.719 -4.710 3.236) 6.328 20.035 ( 2.719 4.710 3.236) 6.328 21.303 ( -0.160 -0.277 -4.469) 4.481 21.303 ( 0.160 0.277 -4.469) 4.481 22.052 ( -0.000 -0.000 13.689) 13.689 ======================= Grid point 157 (20/162) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 -0.000 26.440) 26.440 0.546 ( 0.000 0.000 26.440) 26.440 1.075 ( 0.000 0.000 51.540) 51.540 3.930 ( 0.000 -0.000 -5.014) 5.014 3.930 ( 0.000 0.000 -5.014) 5.014 5.365 ( 0.000 -0.000 -0.236) 0.236 5.730 ( 0.000 -0.000 1.449) 1.449 7.873 ( 0.000 0.000 -5.258) 5.258 7.873 ( 0.000 0.000 -5.258) 5.258 10.006 ( 0.000 0.000 0.052) 0.052 10.175 ( 0.000 0.000 2.913) 2.913 10.175 ( 0.000 -0.000 2.913) 2.913 11.217 ( 0.000 0.000 -2.423) 2.423 11.828 ( 0.000 0.000 0.048) 0.048 11.828 ( 0.000 0.000 0.048) 0.048 15.101 ( 0.000 -0.000 -4.109) 4.109 15.101 ( 0.000 -0.000 -4.109) 4.109 15.354 ( 0.000 -0.000 3.601) 3.601 15.354 ( 0.000 -0.000 3.601) 3.601 17.536 ( 0.000 0.000 -6.584) 6.584 17.536 ( -0.000 -0.000 -6.584) 6.584 18.163 ( 0.000 0.000 1.940) 1.940 20.130 ( 0.000 0.000 -1.122) 1.122 21.345 ( 0.000 0.000 -1.338) 1.338 21.551 ( -0.000 -0.000 2.493) 2.493 21.551 ( 0.000 0.000 2.493) 2.493 22.186 ( 0.000 0.000 1.745) 1.745 ======================= Grid point 158 (21/162) ======================= q-point: ( 0.08 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 25.755 9.196 16.464) 31.921 0.983 ( 23.663 5.139 24.153) 34.201 1.695 ( 44.802 34.833 25.025) 62.023 3.836 ( -10.703 5.027 -6.916) 13.699 4.071 ( 10.872 -2.170 -1.301) 11.163 4.555 ( -29.070 -17.797 20.627) 39.841 5.758 ( 1.860 1.726 1.001) 2.728 7.869 ( 2.609 -3.413 -5.989) 7.370 7.920 ( 1.639 1.758 -3.294) 4.078 9.893 ( -7.770 -3.740 0.886) 8.669 10.174 ( -2.431 4.413 2.621) 5.679 10.964 ( 3.910 0.307 -15.679) 16.162 11.355 ( 15.527 5.593 -10.063) 19.329 11.781 ( -0.591 -2.449 -1.332) 2.850 11.863 ( 1.476 4.134 0.114) 4.391 15.064 ( 6.545 -15.123 -3.906) 16.935 15.156 ( -4.413 7.255 0.127) 8.493 15.438 ( 4.041 11.275 1.281) 12.046 16.950 ( 76.162 44.956 -79.895) 119.184 17.456 ( -7.780 0.709 -6.125) 9.927 17.607 ( 7.972 -1.143 -5.952) 10.015 18.212 ( 3.355 2.414 1.020) 4.257 20.142 ( 1.053 0.589 -1.095) 1.629 21.281 ( -14.729 -13.299 3.140) 20.091 21.361 ( -3.431 -2.713 1.725) 4.702 21.526 ( 0.500 -6.851 2.960) 7.480 21.962 ( -11.658 4.953 17.688) 21.756 ======================= Grid point 159 (22/162) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 19.969 11.216 19.525) 30.097 1.589 ( 32.997 9.131 7.367) 35.021 2.815 ( 39.445 30.640 10.108) 50.960 3.669 ( -12.214 2.907 -5.286) 13.622 4.075 ( -12.042 -6.942 13.299) 19.237 4.316 ( 17.617 0.657 -2.508) 17.807 5.801 ( 0.057 1.942 0.295) 1.965 7.881 ( 2.053 -2.823 -5.779) 6.752 7.974 ( 2.863 1.973 -2.536) 4.303 9.664 ( -12.486 -6.101 1.417) 13.969 10.181 ( -2.054 4.522 1.761) 5.270 10.793 ( -12.051 -7.682 -5.835) 15.436 11.339 ( -10.837 -9.037 -1.713) 14.214 11.893 ( 14.239 -4.783 -2.008) 15.154 11.951 ( -0.113 11.222 0.529) 11.235 15.019 ( 5.776 -15.632 -1.959) 16.780 15.135 ( -8.531 11.827 0.589) 14.595 15.696 ( 13.643 8.944 -0.186) 16.314 17.319 ( -7.781 0.575 -4.167) 8.845 17.763 ( 12.550 -0.465 -7.963) 14.870 17.990 ( 16.968 15.588 -42.387) 48.245 18.288 ( 2.200 2.214 -0.522) 3.165 20.166 ( 0.509 0.164 -0.430) 0.687 20.867 ( -8.853 -16.344 -0.954) 18.613 21.341 ( -0.315 -0.534 -0.928) 1.116 21.466 ( -0.104 -5.285 0.468) 5.307 21.919 ( -5.717 10.650 14.675) 19.012 ======================= Grid point 160 (23/162) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 22.339 10.905 11.635) 27.447 2.219 ( 28.617 10.768 3.384) 30.763 3.344 ( -0.644 3.612 -2.294) 4.328 3.568 ( -1.408 4.859 4.619) 6.850 3.868 ( -5.285 -1.879 3.525) 6.625 4.964 ( 44.325 20.725 3.325) 49.043 5.764 ( -6.088 -0.444 0.403) 6.117 7.879 ( 0.026 -0.566 -4.691) 4.726 8.068 ( 6.094 1.775 -2.406) 6.788 9.377 ( -12.906 -6.391 2.038) 14.545 10.180 ( -4.046 4.960 0.031) 6.401 10.459 ( -15.461 -11.006 -3.815) 19.358 10.960 ( -18.775 -13.833 -1.017) 23.343 12.043 ( 7.433 -1.679 0.893) 7.673 12.113 ( 7.376 6.787 1.906) 10.203 14.949 ( 1.765 -11.531 0.262) 11.669 15.111 ( -6.037 8.725 -0.643) 10.629 16.051 ( 16.449 8.970 -0.685) 18.749 17.227 ( -4.011 2.437 -1.735) 5.004 17.977 ( 13.260 -4.484 -7.287) 15.781 18.133 ( -5.719 6.978 -7.123) 11.495 18.326 ( -0.654 1.349 -3.919) 4.196 20.124 ( -4.150 -3.407 0.057) 5.370 20.697 ( 2.203 -7.760 -11.941) 14.411 21.329 ( -0.292 -0.913 -1.283) 1.601 21.423 ( 0.905 -4.811 -2.701) 5.591 21.932 ( -5.005 9.982 12.369) 16.664 ======================= Grid point 161 (24/162) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 19.216 8.318 6.358) 21.883 2.763 ( 22.719 8.102 -1.884) 24.194 3.236 ( -6.894 -2.475 -4.098) 8.393 3.536 ( -3.880 -0.192 6.806) 7.836 3.887 ( 3.977 6.075 4.614) 8.603 5.541 ( -13.881 -5.861 0.476) 15.075 6.062 ( 48.359 28.305 2.884) 56.108 7.884 ( -0.140 2.100 -3.595) 4.166 8.209 ( 7.850 1.468 -2.030) 8.240 9.123 ( -9.355 -5.277 2.359) 10.996 10.018 ( -22.193 -3.041 -4.353) 22.819 10.170 ( -3.170 -4.663 -0.139) 5.640 10.460 ( -20.260 -17.004 -0.782) 26.462 12.147 ( 4.106 2.723 1.883) 5.275 12.292 ( 8.853 0.605 3.445) 9.519 14.858 ( -1.171 -7.370 1.179) 7.555 15.101 ( -3.088 4.995 -1.486) 6.058 16.393 ( 12.663 7.524 -0.357) 14.735 17.251 ( 2.937 5.258 1.131) 6.128 17.923 ( -8.328 -5.060 2.370) 10.029 18.247 ( -0.293 7.521 -4.352) 8.694 18.288 ( 5.720 -5.348 -2.841) 8.330 19.978 ( -7.052 -4.703 -2.768) 8.917 20.728 ( 5.660 -2.626 -12.360) 13.846 21.313 ( -0.291 -1.368 -1.433) 2.002 21.399 ( 1.719 -4.656 -4.581) 6.754 21.941 ( -4.870 9.003 10.483) 14.651 ======================= Grid point 162 (25/162) ======================= q-point: ( 0.42 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 13.593 5.637 4.574) 15.410 3.045 ( 1.024 -1.536 -1.242) 2.225 3.110 ( 0.731 -6.296 -9.702) 11.589 3.545 ( 2.540 5.326 4.220) 7.254 4.123 ( 13.442 13.068 9.244) 20.902 5.142 ( -22.318 -9.629 2.689) 24.455 7.134 ( 42.748 26.697 0.092) 50.400 7.912 ( -0.257 3.569 -2.935) 4.628 8.308 ( 0.340 -1.882 -1.102) 2.207 8.965 ( -2.947 -4.903 2.199) 6.129 9.563 ( -21.049 -8.742 -2.400) 22.918 9.977 ( -17.187 -5.093 -2.725) 18.132 10.110 ( -0.801 -7.655 0.027) 7.697 12.230 ( 1.644 3.517 2.484) 4.609 12.417 ( 6.902 -2.962 4.154) 8.583 14.777 ( -1.057 -4.533 1.092) 4.781 15.100 ( -1.744 3.091 -1.757) 3.960 16.601 ( 4.682 4.401 1.748) 6.659 17.428 ( 9.451 6.751 3.256) 12.062 17.742 ( -7.702 -1.333 5.206) 9.391 18.115 ( -9.883 -1.183 -2.966) 10.386 18.469 ( 11.438 -3.666 -4.264) 12.746 19.823 ( -6.355 -1.982 -4.588) 8.085 20.799 ( 4.562 -1.922 -10.813) 11.892 21.294 ( -0.059 -1.628 -1.390) 2.142 21.388 ( 2.072 -4.308 -4.949) 6.881 21.944 ( -4.680 8.264 9.010) 13.091 ======================= Grid point 163 (26/162) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.821 -1.422 4.586) 4.871 2.933 ( -0.005 0.009 3.420) 3.420 3.108 ( 3.955 -6.851 -13.812) 15.917 3.613 ( -1.191 2.063 0.401) 2.416 4.505 ( -3.347 5.798 15.044) 16.466 4.707 ( -0.749 1.297 -0.560) 1.599 7.880 ( -2.831 4.903 -5.158) 7.659 7.949 ( -1.755 3.039 -2.605) 4.371 8.082 ( 0.876 -1.517 2.923) 3.408 8.926 ( 3.685 -6.383 3.058) 7.980 9.297 ( -0.596 1.031 -2.058) 2.378 9.786 ( -1.486 2.573 -2.532) 3.903 10.068 ( 1.435 -2.485 -0.797) 2.978 12.263 ( -1.421 2.461 2.672) 3.901 12.463 ( 3.337 -5.779 4.365) 7.974 14.743 ( 1.364 -2.362 0.935) 2.884 15.101 ( -1.450 2.511 -1.808) 3.417 16.659 ( -0.939 1.626 3.389) 3.874 17.599 ( 1.166 -2.019 6.553) 6.955 17.656 ( -2.771 4.799 3.353) 6.477 17.984 ( -2.139 3.705 -4.168) 5.973 18.555 ( 5.114 -8.857 -4.130) 11.030 19.753 ( -1.382 2.394 -5.136) 5.833 20.831 ( 1.834 -3.177 -10.298) 10.932 21.284 ( 0.751 -1.300 -1.275) 1.969 21.384 ( 2.317 -4.014 -4.891) 6.739 21.945 ( -4.601 7.968 8.436) 12.483 ======================= Grid point 171 (27/162) ======================= q-point: ( 0.08 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 10.257 17.766 22.634) 30.547 1.320 ( 17.542 30.383 4.053) 35.317 2.607 ( 28.505 49.373 15.615) 59.111 3.869 ( -3.205 -5.551 2.263) 6.798 4.088 ( 4.585 7.941 -4.383) 10.163 4.170 ( -9.523 -16.495 8.769) 20.968 5.810 ( 1.597 2.765 1.001) 3.346 7.832 ( 0.036 0.063 -7.067) 7.068 7.963 ( 1.311 2.271 -2.791) 3.830 9.753 ( -5.832 -10.101 1.387) 11.746 10.213 ( -0.151 -0.261 4.558) 4.568 10.868 ( -5.566 -9.640 -7.283) 13.302 11.483 ( 2.113 3.659 -6.550) 7.794 11.613 ( -5.709 -9.888 -0.227) 11.420 12.034 ( 5.507 9.538 -0.394) 11.021 14.864 ( -3.750 -6.495 -3.040) 8.092 15.385 ( 7.103 12.303 -2.444) 14.415 15.525 ( 1.696 2.937 3.598) 4.944 17.409 ( -3.274 -5.671 -1.795) 6.790 17.627 ( 4.177 7.235 -13.048) 15.493 17.894 ( 19.344 33.506 -53.667) 66.159 18.278 ( 1.869 3.237 0.342) 3.753 20.165 ( 0.906 1.569 -1.158) 2.150 20.857 ( -12.044 -20.861 6.809) 25.032 21.341 ( -0.372 -0.645 -0.919) 1.183 21.438 ( -2.005 -3.473 -0.773) 4.085 22.039 ( 1.589 2.752 14.960) 15.293 ======================= Grid point 172 (28/162) ======================= q-point: ( 0.17 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 16.135 19.358 13.188) 28.443 1.951 ( 22.216 24.460 1.218) 33.065 3.340 ( 10.758 15.776 5.384) 19.839 3.710 ( -8.838 0.428 3.455) 9.499 3.926 ( -5.228 -5.673 5.978) 9.760 4.515 ( 30.858 23.770 -0.608) 38.956 5.835 ( -1.726 0.769 1.263) 2.273 7.860 ( 1.956 1.125 -6.655) 7.027 8.003 ( 2.142 0.442 -2.140) 3.060 9.515 ( -10.253 -8.600 1.964) 13.526 10.185 ( -0.410 -4.620 3.878) 6.045 10.614 ( -11.798 -10.302 -4.869) 16.402 11.241 ( -21.990 -1.606 -1.798) 22.121 11.667 ( 16.314 -13.734 -1.863) 21.407 12.210 ( 2.861 11.701 1.098) 12.096 14.766 ( 1.164 -9.841 -2.065) 10.123 15.431 ( -11.867 15.368 1.281) 19.459 15.800 ( 20.387 4.422 -0.919) 20.881 17.289 ( -4.055 -3.679 0.364) 5.487 17.775 ( 7.214 1.043 -9.442) 11.928 18.269 ( -0.015 9.821 -13.609) 16.782 18.329 ( 2.900 2.753 -6.403) 7.549 20.181 ( -2.349 1.629 -0.690) 2.941 20.572 ( -1.235 -12.254 -7.821) 14.590 21.326 ( -0.476 -0.948 -1.464) 1.808 21.375 ( -0.818 -4.142 -2.218) 4.769 22.079 ( -1.739 5.770 13.361) 14.657 ======================= Grid point 173 (29/162) ======================= q-point: ( 0.25 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 16.059 19.006 5.635) 25.513 2.517 ( 19.127 16.454 -0.819) 25.243 3.368 ( -7.319 0.017 -1.858) 7.551 3.616 ( -4.995 1.953 6.686) 8.571 3.886 ( 1.905 2.998 4.563) 5.782 5.478 ( 38.888 27.898 1.880) 47.897 5.757 ( -2.783 1.346 2.861) 4.212 7.898 ( 0.224 2.132 -3.846) 4.403 8.071 ( 6.920 -1.643 -2.787) 7.639 9.263 ( -10.726 -4.825 2.020) 11.934 10.073 ( -3.367 -15.462 2.162) 15.972 10.301 ( -13.050 -6.083 -3.705) 14.867 10.802 ( -26.604 -1.125 -1.936) 26.698 11.811 ( 16.695 -14.853 -0.061) 22.346 12.365 ( 1.331 12.154 1.738) 12.350 14.697 ( 2.689 -11.264 -1.239) 11.647 15.375 ( -11.196 14.027 1.094) 17.981 16.204 ( 18.326 7.969 -1.121) 20.015 17.223 ( 0.723 -2.841 2.733) 4.007 17.831 ( 3.115 -9.894 -2.211) 10.606 18.256 ( -2.988 -0.690 -0.616) 3.128 18.413 ( -1.981 12.562 -6.439) 14.254 20.090 ( -8.408 0.357 -2.576) 8.801 20.555 ( 8.074 -7.092 -13.277) 17.081 21.306 ( -0.551 -1.471 -2.084) 2.610 21.332 ( 0.630 -4.109 -3.365) 5.349 22.096 ( -3.284 6.622 11.794) 13.919 ======================= Grid point 174 (30/162) ======================= q-point: ( 0.33 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 10.965 14.889 1.859) 18.584 2.881 ( 11.152 2.088 -7.219) 13.448 3.236 ( -9.324 3.596 0.337) 9.999 3.594 ( -1.684 6.803 5.215) 8.736 4.052 ( 10.061 11.043 7.325) 16.638 5.421 ( -18.656 -6.049 3.466) 19.916 6.614 ( 45.936 26.046 2.323) 52.857 7.917 ( 0.890 0.326 -1.296) 1.605 8.183 ( 7.664 -3.894 -2.680) 9.004 9.071 ( -8.766 0.167 0.650) 8.792 9.728 ( -13.807 -20.037 -0.263) 24.334 10.083 ( -7.213 -6.880 -1.641) 10.103 10.364 ( -24.427 5.115 -2.236) 25.056 11.937 ( 15.437 -15.876 1.481) 22.194 12.490 ( -0.572 11.392 1.779) 11.544 14.635 ( 3.260 -11.192 -0.809) 11.685 15.332 ( -9.917 13.927 0.393) 17.101 16.535 ( 10.144 7.302 0.760) 12.522 17.282 ( 9.264 -1.670 4.335) 10.364 17.718 ( -0.479 -13.609 5.678) 14.753 18.150 ( -4.409 -8.141 -0.798) 9.293 18.540 ( -2.642 19.544 -8.404) 21.438 19.941 ( -8.608 0.409 -3.807) 9.421 20.640 ( 8.648 -6.481 -12.193) 16.293 21.281 ( -0.325 -1.857 -2.564) 3.183 21.313 ( 1.511 -3.712 -3.790) 5.516 22.100 ( -3.994 6.918 10.456) 13.158 ======================= Grid point 175 (31/162) ======================= q-point: ( 0.42 0.08 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 5.743 5.174 2.405) 8.095 2.967 ( 3.915 -5.737 -13.258) 14.967 3.130 ( -11.298 11.863 3.057) 16.665 3.657 ( -0.132 5.290 2.387) 5.805 4.449 ( 17.548 19.059 9.054) 27.444 4.967 ( -25.161 -7.835 5.819) 26.988 7.560 ( 38.478 14.419 1.146) 41.107 7.933 ( 1.509 -1.797 -0.415) 2.383 8.146 ( -6.299 -14.016 0.020) 15.366 8.962 ( -6.564 4.406 -2.394) 8.261 9.336 ( -8.717 -10.916 -1.335) 14.033 9.900 ( -8.057 0.804 -0.294) 8.103 10.132 ( -8.960 5.170 -2.450) 10.630 12.014 ( 12.554 -17.524 2.330) 21.682 12.562 ( -3.428 9.782 1.666) 10.498 14.595 ( 4.493 -10.100 -0.718) 11.077 15.311 ( -8.770 14.161 -0.060) 16.657 16.682 ( 1.377 3.851 4.126) 5.809 17.476 ( 11.987 -1.146 4.518) 12.861 17.602 ( 2.140 -11.806 7.272) 14.030 17.974 ( -3.469 -9.826 -1.002) 10.468 18.661 ( -6.563 18.755 -10.598) 22.519 19.830 ( -4.955 2.018 -3.273) 6.272 20.702 ( 6.496 -7.814 -11.303) 15.199 21.262 ( 0.227 -1.454 -2.379) 2.797 21.307 ( 1.935 -3.602 -4.083) 5.778 22.099 ( -4.149 7.077 9.659) 12.673 ======================= Grid point 184 (32/162) ======================= q-point: ( 0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 13.657 23.655 5.100) 27.786 2.437 ( 12.785 22.145 -0.247) 25.572 3.431 ( -1.235 -2.140 0.907) 2.632 3.701 ( 0.676 1.170 4.620) 4.814 3.877 ( -0.221 -0.382 4.849) 4.869 5.240 ( 25.956 44.957 2.884) 51.992 5.806 ( -2.448 -4.240 2.257) 5.391 7.921 ( 2.542 4.402 -6.445) 8.209 7.983 ( -1.144 -1.982 -0.581) 2.361 9.340 ( -5.000 -8.660 1.602) 10.127 10.017 ( -6.923 -11.992 3.095) 14.188 10.381 ( -7.416 -12.844 -3.742) 15.296 11.184 ( -5.368 -9.297 1.473) 10.836 11.442 ( -2.560 -4.434 -4.564) 6.859 12.416 ( 5.351 9.269 1.429) 10.797 14.612 ( -3.559 -6.165 -1.444) 7.263 15.609 ( 1.265 2.191 1.958) 3.200 16.018 ( 10.516 18.214 -2.189) 21.145 17.199 ( -2.658 -4.603 3.631) 6.437 17.750 ( -2.594 -4.493 -3.771) 6.414 18.279 ( -2.206 -3.821 -0.175) 4.416 18.502 ( 6.279 10.876 -6.920) 14.339 20.220 ( 0.383 0.663 -1.701) 1.865 20.390 ( -3.110 -5.387 -14.616) 15.884 21.304 ( -1.691 -2.929 -3.149) 4.621 21.305 ( -0.711 -1.231 -1.989) 2.445 22.160 ( 1.616 2.799 12.107) 12.531 ======================= Grid point 185 (33/162) ======================= q-point: ( 0.25 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 10.478 18.535 -2.954) 21.496 2.758 ( 7.673 6.496 -0.884) 10.092 3.384 ( -2.427 3.170 3.226) 5.133 3.760 ( -5.343 12.822 3.415) 14.304 3.959 ( 10.937 5.005 4.941) 13.003 5.636 ( -11.474 -4.823 3.519) 12.934 6.174 ( 35.457 31.975 3.773) 47.894 7.914 ( -2.083 -2.598 0.331) 3.346 8.037 ( 5.775 0.025 -4.142) 7.107 9.194 ( -5.404 -1.977 -0.270) 5.761 9.714 ( -9.730 -19.415 1.052) 21.742 10.144 ( -7.053 -8.012 -2.339) 10.928 10.867 ( -25.325 5.279 -0.133) 25.870 11.483 ( 16.082 -17.985 -2.044) 24.213 12.578 ( 2.672 9.362 1.210) 9.811 14.512 ( -0.398 -7.547 -1.097) 7.637 15.611 ( -6.199 9.289 0.902) 11.204 16.408 ( 14.346 13.032 -0.753) 19.396 17.137 ( 2.012 -5.129 5.997) 8.144 17.610 ( -3.054 -11.501 4.150) 12.603 18.160 ( -5.024 -7.576 -0.223) 9.093 18.733 ( 3.728 17.659 -7.432) 19.519 20.130 ( -11.048 3.170 -4.983) 12.527 20.399 ( 9.591 -8.947 -12.158) 17.884 21.261 ( -0.257 -2.516 -3.733) 4.509 21.280 ( -0.481 -1.606 -2.483) 2.996 22.198 ( -0.849 3.850 10.925) 11.615 ======================= Grid point 186 (34/162) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 3.484 5.796 -3.155) 7.462 2.857 ( 3.380 -3.062 -7.708) 8.957 3.450 ( -3.505 18.421 6.008) 19.691 3.760 ( -5.982 8.702 2.941) 10.961 4.325 ( 17.295 15.455 5.232) 23.777 5.306 ( -20.366 -5.384 5.591) 21.795 7.046 ( 36.404 17.155 3.946) 40.436 7.863 ( 1.239 -5.758 1.859) 6.176 8.071 ( 0.046 -7.827 -1.207) 7.920 9.116 ( -5.033 3.559 -4.192) 7.455 9.358 ( -9.022 -15.264 -1.614) 17.804 10.013 ( -3.663 1.383 -0.098) 3.917 10.490 ( -23.830 6.308 -1.430) 24.692 11.575 ( 16.146 -20.516 -0.267) 26.109 12.687 ( -0.328 8.375 0.881) 8.428 14.448 ( 1.780 -7.653 -1.041) 7.926 15.599 ( -7.682 12.418 0.258) 14.604 16.689 ( 4.679 8.091 3.294) 9.910 17.202 ( 11.947 -6.508 6.327) 15.004 17.470 ( 0.232 -9.325 6.584) 11.417 17.966 ( -6.513 -10.448 -0.206) 12.314 18.953 ( -1.495 21.131 -11.145) 23.936 19.970 ( -9.492 2.048 -3.674) 10.383 20.471 ( 9.357 -10.517 -10.462) 17.539 21.242 ( 0.497 -1.759 -3.679) 4.108 21.259 ( 0.138 -1.946 -3.089) 3.653 22.213 ( -2.149 4.493 10.065) 11.230 ======================= Grid point 187 (35/162) ======================= q-point: ( 0.42 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.320 -0.554 0.879) 1.087 2.862 ( 2.580 -4.469 -12.285) 13.324 3.532 ( -14.245 24.673 4.572) 28.854 3.747 ( -2.284 3.956 2.832) 5.375 4.718 ( 1.247 -2.160 2.463) 3.506 4.940 ( -7.824 13.551 9.919) 18.526 7.610 ( 6.922 -11.989 3.551) 14.292 7.840 ( 4.102 -7.105 3.231) 8.818 7.893 ( 3.137 -5.434 1.154) 6.379 9.086 ( -3.625 6.279 -7.257) 10.258 9.198 ( 1.916 -3.319 -3.331) 5.078 10.022 ( -5.851 10.135 2.076) 11.885 10.272 ( -5.687 9.850 -2.589) 11.664 11.614 ( 13.067 -22.632 0.270) 26.135 12.726 ( -3.796 6.574 0.737) 7.627 14.425 ( 3.899 -6.754 -1.063) 7.870 15.594 ( -7.797 13.505 0.045) 15.594 16.755 ( -2.143 3.711 6.324) 7.639 17.291 ( 8.247 -14.285 8.570) 18.588 17.462 ( 1.995 -3.455 3.400) 5.242 17.814 ( 3.408 -5.903 -0.186) 6.818 19.055 ( -10.964 18.990 -13.537) 25.769 19.889 ( -2.332 4.039 -1.840) 5.014 20.500 ( 7.077 -12.257 -10.001) 17.331 21.239 ( 0.533 -0.924 -3.124) 3.301 21.250 ( 1.256 -2.175 -3.775) 4.534 22.216 ( -2.680 4.642 9.748) 11.125 ======================= Grid point 194 (36/162) ======================= q-point: (-0.08 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -11.381 19.712 20.632) 30.721 1.554 ( -17.639 30.552 14.502) 38.143 2.436 ( -26.722 46.284 9.208) 54.232 3.630 ( 5.279 -9.143 -9.081) 13.926 4.144 ( 5.787 -10.024 17.290) 20.806 4.337 ( -3.477 6.022 -2.214) 7.298 5.779 ( -0.512 0.887 -0.189) 1.042 7.924 ( -0.539 0.933 -4.917) 5.033 7.950 ( -1.483 2.569 -2.341) 3.779 9.734 ( 6.191 -10.724 0.759) 12.406 10.103 ( 1.575 -2.729 0.103) 3.153 10.879 ( 5.729 -9.923 -6.326) 13.089 11.579 ( -3.424 5.930 -2.971) 7.464 11.630 ( 5.586 -9.676 0.518) 11.185 12.001 ( -6.087 10.544 -1.496) 12.266 14.998 ( 4.066 -7.042 2.420) 8.484 15.370 ( -1.951 3.380 -2.850) 4.832 15.427 ( -7.645 13.242 -1.530) 15.367 17.304 ( 4.506 -7.805 -6.255) 10.970 17.764 ( -10.861 18.812 -27.106) 34.736 17.810 ( -11.986 20.761 -32.711) 40.555 18.261 ( -1.471 2.547 0.013) 2.941 20.165 ( -0.922 1.597 -1.111) 2.153 21.074 ( 7.301 -12.645 -3.668) 15.055 21.347 ( 0.176 -0.306 -0.578) 0.678 21.581 ( 0.278 -0.482 4.999) 5.030 21.723 ( 3.399 -5.887 17.087) 18.390 ======================= Grid point 198 (37/162) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 3.062 5.303 -10.799) 12.414 2.806 ( 0.041 0.070 0.284) 0.296 3.552 ( 7.615 13.190 7.716) 17.074 3.947 ( 2.512 4.351 5.918) 7.763 4.199 ( 10.835 18.768 0.432) 21.675 5.477 ( -6.326 -10.957 4.367) 13.385 6.787 ( 16.925 29.315 5.573) 34.306 7.817 ( -3.156 -5.467 2.629) 6.838 8.029 ( -2.045 -3.542 -1.550) 4.374 9.179 ( -0.031 -0.053 -4.666) 4.666 9.357 ( -8.727 -15.116 -1.543) 17.523 10.052 ( 0.052 0.090 -0.160) 0.191 10.904 ( -4.008 -6.942 2.766) 8.480 11.164 ( -5.271 -9.129 -5.157) 11.735 12.732 ( 3.546 6.141 0.623) 7.118 14.394 ( -2.594 -4.493 -1.068) 5.297 15.743 ( 2.581 4.470 0.234) 5.167 16.687 ( 7.656 13.260 1.625) 15.397 17.048 ( -1.760 -3.048 8.567) 9.262 17.420 ( -3.802 -6.585 6.178) 9.797 17.972 ( -6.464 -11.197 -0.106) 12.929 19.076 ( 9.460 16.385 -10.418) 21.598 20.186 ( -1.399 -2.423 -2.332) 3.643 20.211 ( -3.024 -5.238 -12.192) 13.610 21.226 ( -0.567 -0.982 -3.889) 4.051 21.251 ( -0.770 -1.334 -3.097) 3.459 22.254 ( 1.123 1.946 10.179) 10.424 ======================= Grid point 199 (38/162) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 0.152 -0.105 -4.164) 4.168 2.799 ( 0.793 -2.305 -6.600) 7.036 3.782 ( 3.087 8.485 4.047) 9.894 4.008 ( -9.135 20.103 6.280) 22.957 4.549 ( 13.617 3.431 2.950) 14.349 5.236 ( -12.140 -0.671 3.888) 12.765 7.312 ( 19.185 11.131 6.353) 23.072 7.734 ( 0.296 -5.973 3.584) 6.972 7.845 ( -7.200 -14.637 3.200) 16.623 9.168 ( -1.740 0.638 -7.624) 7.846 9.171 ( -1.978 -3.672 -5.448) 6.861 10.175 ( 4.371 14.859 1.597) 15.571 10.588 ( -22.362 2.964 -0.373) 22.561 11.141 ( 14.390 -22.547 -2.524) 26.867 12.815 ( -0.079 4.483 0.258) 4.491 14.334 ( 0.477 -3.899 -1.116) 4.083 15.800 ( -2.693 7.396 -0.186) 7.873 16.838 ( -1.553 6.359 7.384) 9.868 17.047 ( 6.279 -7.556 9.523) 13.682 17.397 ( 3.709 1.822 2.863) 5.027 17.743 ( -5.003 -11.853 -0.031) 12.865 19.344 ( 0.297 17.498 -15.243) 23.208 20.008 ( -9.089 1.645 -2.910) 9.684 20.239 ( 8.353 -12.219 -6.532) 16.179 21.218 ( 0.486 -0.662 -3.897) 3.982 21.229 ( -0.305 -1.118 -3.555) 3.740 22.279 ( -0.594 2.205 9.755) 10.018 ======================= Grid point 205 (39/162) ======================= q-point: (-0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -17.062 21.376 13.986) 30.719 2.138 ( -15.803 28.756 10.269) 34.382 3.208 ( -18.231 17.139 1.790) 25.086 3.485 ( 0.983 -5.863 -7.231) 9.361 3.920 ( 6.765 -7.784 5.179) 11.541 4.701 ( -21.960 25.673 6.343) 34.374 5.769 ( 1.588 -2.615 -1.355) 3.346 7.910 ( 2.255 -0.413 -4.977) 5.479 8.023 ( -4.056 3.128 -1.208) 5.263 9.491 ( 9.904 -8.934 1.163) 13.389 10.048 ( -1.088 -8.900 -1.704) 9.127 10.623 ( 11.341 -10.766 -4.382) 16.240 11.293 ( 21.349 -1.431 0.707) 21.409 11.751 ( -13.996 -10.213 1.254) 17.372 12.215 ( -3.972 14.610 1.385) 15.203 14.879 ( -0.015 -10.561 2.798) 10.926 15.330 ( 11.046 14.210 -2.914) 18.233 15.813 ( -20.044 6.810 -0.999) 21.193 17.166 ( 1.921 -8.024 -5.062) 9.680 18.004 ( -5.446 8.194 -1.158) 9.907 18.078 ( -3.094 5.599 -22.046) 22.955 18.294 ( -1.131 -0.669 -1.437) 1.947 20.187 ( 1.342 1.748 -0.855) 2.364 20.850 ( 8.532 -2.893 -10.806) 14.069 21.341 ( 0.359 0.012 -0.872) 0.943 21.522 ( 4.732 2.446 2.429) 5.855 21.721 ( -6.936 -7.800 10.793) 15.015 ======================= Grid point 211 (40/162) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -0.025 -0.043 -5.110) 5.110 2.776 ( 0.025 0.043 -5.110) 5.110 3.847 ( 0.000 0.000 3.257) 3.257 4.405 ( -8.112 -14.050 6.016) 17.303 4.405 ( 8.112 14.050 6.016) 17.303 5.252 ( -0.000 -0.000 -0.101) 0.101 7.548 ( -6.843 -11.853 6.536) 15.167 7.548 ( 6.843 11.853 6.536) 15.167 7.671 ( -0.000 -0.000 3.993) 3.993 9.157 ( -0.553 -0.958 -7.613) 7.693 9.157 ( 0.553 0.958 -7.613) 7.693 10.519 ( -7.264 -12.581 2.482) 14.738 10.519 ( 7.264 12.581 2.482) 14.738 10.827 ( -0.000 -0.000 -6.820) 6.820 12.860 ( -0.000 -0.000 0.034) 0.034 14.295 ( -0.000 -0.000 -1.137) 1.137 15.875 ( -0.000 -0.000 -0.401) 0.401 16.935 ( -2.121 -3.674 10.163) 11.013 16.935 ( 2.121 3.674 10.163) 11.013 17.520 ( -4.865 -8.427 0.371) 9.738 17.520 ( 4.865 8.427 0.371) 9.738 19.557 ( -0.000 -0.000 -20.832) 20.832 20.052 ( -2.305 -3.993 -1.746) 4.930 20.052 ( 2.305 3.993 -1.746) 4.930 21.215 ( -0.143 -0.247 -3.881) 3.891 21.215 ( 0.143 0.247 -3.881) 3.891 22.300 ( -0.000 -0.000 9.642) 9.642 ======================= Grid point 218 (41/162) ======================= q-point: (-0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -15.870 22.637 8.376) 28.887 2.644 ( -14.856 19.847 5.624) 25.421 3.316 ( 4.593 3.190 -6.369) 8.475 3.536 ( -1.337 -1.030 5.692) 5.937 3.806 ( -1.270 -2.121 0.574) 2.538 5.562 ( -40.806 31.173 4.365) 51.536 5.643 ( 8.179 -7.059 -1.255) 10.876 7.857 ( 1.259 -3.179 -5.004) 6.061 8.147 ( -6.256 3.257 -0.294) 7.059 9.253 ( 9.813 -3.402 1.915) 10.561 9.921 ( 2.124 -17.548 -4.056) 18.136 10.313 ( 12.202 -9.098 -3.457) 15.609 10.879 ( 25.653 0.620 1.608) 25.711 11.875 ( -13.280 -11.725 2.380) 17.875 12.417 ( -1.979 15.575 3.996) 16.200 14.781 ( -1.499 -12.011 2.495) 12.359 15.290 ( 10.146 14.500 -2.646) 17.894 16.212 ( -17.142 7.470 -0.957) 18.724 17.103 ( -4.424 -7.601 -3.095) 9.323 17.934 ( 5.113 -10.863 1.962) 12.165 18.224 ( 1.480 1.327 -1.422) 2.444 18.360 ( -5.842 13.482 -6.302) 15.987 20.118 ( 8.735 1.056 -1.695) 8.961 20.754 ( 0.677 -0.765 -12.238) 12.280 21.334 ( 0.696 0.251 -0.713) 1.027 21.483 ( 2.802 2.163 -1.872) 4.004 21.762 ( -5.861 -6.489 8.023) 11.867 ======================= Grid point 219 (42/162) ======================= q-point: (-0.17 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -15.718 27.224 8.506) 32.566 2.625 ( -10.539 18.254 9.037) 22.934 3.429 ( -2.205 3.819 3.071) 5.374 3.465 ( -3.812 6.602 -6.784) 10.205 3.789 ( 2.822 -4.888 -0.071) 5.644 5.348 ( -22.255 38.547 6.656) 45.005 5.683 ( 3.806 -6.593 -2.752) 8.095 7.856 ( 2.868 -4.967 -5.834) 8.181 8.101 ( -2.790 4.833 0.870) 5.648 9.335 ( 3.589 -6.216 1.722) 7.381 9.837 ( 7.255 -12.567 -4.198) 15.106 10.374 ( 8.032 -13.912 -4.143) 16.590 11.200 ( 5.569 -9.646 2.162) 11.346 11.609 ( 1.533 -2.655 2.378) 3.880 12.480 ( -7.028 12.173 4.164) 14.660 14.702 ( 4.364 -7.559 2.407) 9.055 15.512 ( -2.422 4.194 -2.273) 5.350 16.043 ( -9.320 16.143 -1.545) 18.705 17.020 ( 3.559 -6.164 -4.375) 8.354 17.925 ( 5.355 -9.275 2.809) 11.072 18.249 ( 2.147 -3.719 -0.881) 4.384 18.371 ( -10.138 17.559 -8.339) 21.924 20.217 ( -0.170 0.294 -1.712) 1.745 20.751 ( 3.581 -6.202 -12.348) 14.275 21.341 ( 0.032 -0.056 -0.443) 0.448 21.524 ( 1.198 -2.074 5.866) 6.336 21.664 ( -0.854 1.479 1.027) 1.992 ======================= Grid point 231 (43/162) ======================= q-point: (-0.33 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -7.977 18.454 5.274) 20.785 3.010 ( -10.153 6.589 0.308) 12.107 3.284 ( 6.365 8.764 -6.235) 12.498 3.496 ( 1.185 1.684 5.740) 6.098 3.936 ( -11.015 6.123 4.400) 13.349 5.336 ( 17.136 -10.824 -0.226) 20.270 6.583 ( -44.652 23.045 0.850) 50.255 7.819 ( -2.319 -6.181 -5.132) 8.362 8.266 ( -4.353 -1.125 0.638) 4.541 9.114 ( 7.031 5.399 2.665) 9.257 9.621 ( 9.402 -19.758 -4.505) 22.340 10.043 ( 9.461 -9.332 -3.896) 13.848 10.469 ( 24.097 5.668 2.505) 24.882 11.973 ( -12.199 -12.788 2.944) 17.917 12.580 ( 0.796 14.799 5.537) 15.821 14.695 ( -2.320 -11.681 1.798) 12.044 15.269 ( 9.035 14.350 -2.340) 17.118 16.503 ( -9.145 4.292 -0.339) 10.108 17.191 ( -13.886 -6.478 -1.607) 15.407 17.725 ( 5.068 -10.644 7.206) 13.817 18.121 ( 5.151 -7.155 -0.994) 8.872 18.636 ( -3.351 21.976 -4.028) 22.592 19.934 ( 11.471 -0.983 -4.368) 12.314 20.778 ( -3.714 -1.651 -9.944) 10.742 21.323 ( 1.049 0.599 -0.405) 1.274 21.461 ( 2.046 1.714 -3.045) 4.049 21.792 ( -4.422 -5.193 5.533) 8.782 ======================= Grid point 232 (44/162) ======================= q-point: (-0.25 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -9.396 25.788 4.104) 27.751 2.872 ( -10.789 5.404 3.580) 12.587 3.395 ( 3.698 -3.112 4.435) 6.560 3.653 ( 4.552 14.184 -1.459) 14.968 3.826 ( -11.706 8.382 -0.269) 14.400 5.486 ( 10.717 -8.940 -2.743) 14.223 6.153 ( -31.561 27.938 2.600) 42.230 7.739 ( 2.123 -8.427 -6.472) 10.836 8.191 ( -3.038 0.567 1.984) 3.672 9.267 ( 3.458 4.749 3.087) 6.637 9.557 ( 6.647 -18.067 -5.495) 20.020 10.103 ( 8.408 -10.796 -4.427) 14.382 10.927 ( 20.673 2.561 2.933) 21.037 11.623 ( -10.778 -13.303 3.402) 17.456 12.692 ( -3.570 12.118 6.021) 13.995 14.574 ( 1.121 -8.840 1.565) 9.047 15.550 ( 5.566 11.119 -1.715) 12.552 16.373 ( -12.174 9.046 -2.209) 15.327 16.946 ( -3.759 -7.650 -2.989) 9.033 17.718 ( 5.912 -10.268 9.562) 15.225 18.137 ( 4.607 -6.941 -0.491) 8.345 18.734 ( -9.599 20.749 -6.376) 23.734 20.150 ( 9.994 1.663 -3.071) 10.587 20.659 ( -2.378 -8.404 -9.790) 13.120 21.340 ( 0.308 0.379 0.218) 0.535 21.483 ( 1.014 -1.800 4.157) 4.642 21.713 ( -2.482 1.033 -2.579) 3.726 ======================= Grid point 244 (45/162) ======================= q-point: (-0.42 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -3.649 7.750 4.978) 9.907 3.079 ( 6.259 6.750 -1.074) 9.268 3.255 ( 5.676 7.832 -3.603) 10.322 3.571 ( -3.188 2.407 -0.444) 4.020 4.305 ( -18.604 14.354 7.182) 24.571 4.870 ( 21.862 -12.560 1.129) 25.239 7.475 ( -37.646 9.565 -2.752) 38.940 7.805 ( -4.254 -9.454 -5.259) 11.625 8.168 ( 8.744 -13.817 1.080) 16.387 9.126 ( 3.405 13.904 4.108) 14.893 9.313 ( 7.736 -8.340 -2.154) 11.577 9.811 ( 7.418 -3.886 -4.601) 9.555 10.221 ( 11.469 7.010 1.771) 13.558 12.033 ( -10.073 -14.196 3.177) 17.694 12.673 ( 4.608 12.887 6.228) 15.037 14.639 ( -4.123 -10.246 1.205) 11.109 15.262 ( 8.392 14.221 -2.155) 16.652 16.619 ( -2.771 0.153 1.612) 3.210 17.376 ( -14.639 -12.859 -2.364) 19.628 17.610 ( -0.490 -2.046 8.506) 8.762 17.943 ( 4.869 -7.667 -0.604) 9.103 18.859 ( 5.443 23.529 -1.915) 24.226 19.756 ( 5.577 -2.298 -6.722) 9.032 20.819 ( -3.360 -3.273 -8.577) 9.776 21.312 ( 1.039 1.108 -0.120) 1.524 21.448 ( 1.325 1.579 -2.945) 3.594 21.809 ( -3.188 -4.630 4.051) 6.928 ======================= Grid point 245 (46/162) ======================= q-point: (-0.33 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -0.843 6.008 4.189) 7.372 3.179 ( -1.534 6.817 -7.657) 10.366 3.354 ( -5.881 7.469 11.161) 14.661 3.656 ( 6.487 8.889 -1.006) 11.051 4.206 ( -13.152 20.317 1.523) 24.250 5.135 ( 19.674 -8.797 -1.371) 21.595 6.935 ( -35.053 12.701 -1.103) 37.299 7.639 ( -1.977 -11.131 -7.123) 13.362 8.136 ( 4.585 -12.895 1.700) 13.791 9.247 ( 3.764 -0.760 -2.902) 4.814 9.376 ( 2.023 2.487 3.322) 4.617 9.909 ( 5.696 -1.573 -4.927) 7.694 10.587 ( 22.055 5.292 3.142) 22.897 11.680 ( -12.521 -16.735 3.937) 21.268 12.834 ( 0.370 10.702 7.022) 12.806 14.490 ( -1.509 -8.716 0.707) 8.874 15.558 ( 7.858 14.040 -1.443) 16.154 16.573 ( -4.102 2.937 -0.962) 5.136 17.007 ( -12.299 -10.894 -2.934) 16.690 17.576 ( 0.686 -4.222 10.844) 11.657 17.962 ( 6.154 -8.854 0.559) 10.797 19.093 ( -6.013 23.589 -4.452) 24.747 19.930 ( 15.218 0.278 -5.639) 16.232 20.655 ( -7.075 -10.570 -7.161) 14.597 21.338 ( 0.656 0.959 0.863) 1.447 21.456 ( 0.152 -1.711 2.910) 3.380 21.756 ( -1.326 0.837 -3.931) 4.232 ======================= Grid point 246 (47/162) ======================= q-point: (-0.25 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -1.224 2.120 3.462) 4.240 3.194 ( -6.228 10.788 -9.077) 15.413 3.323 ( -4.002 6.932 14.423) 16.495 3.776 ( -2.249 3.895 -0.351) 4.511 4.211 ( -12.142 21.030 0.758) 24.295 5.284 ( 6.616 -11.459 -3.418) 13.666 6.663 ( -13.990 24.231 -0.029) 27.979 7.560 ( 4.952 -8.577 -7.803) 12.608 8.107 ( 6.302 -10.915 1.959) 12.755 9.272 ( 4.745 -8.219 -5.629) 11.034 9.408 ( -3.650 6.321 5.428) 9.096 9.952 ( 1.123 -1.945 -4.759) 5.262 10.903 ( 4.184 -7.247 3.006) 8.892 11.396 ( 4.427 -7.668 4.580) 9.969 12.891 ( -4.539 7.862 7.280) 11.637 14.432 ( 3.210 -5.560 0.541) 6.443 15.719 ( -3.437 5.953 -0.846) 6.926 16.549 ( -4.321 7.484 -3.385) 9.281 16.827 ( 2.135 -3.698 -1.673) 4.586 17.560 ( 2.786 -4.826 11.813) 13.061 17.971 ( 5.554 -9.620 0.649) 11.127 19.150 ( -12.150 21.045 -6.101) 25.055 20.144 ( 2.385 -4.132 -3.929) 6.181 20.468 ( 5.020 -8.695 -7.212) 12.362 21.349 ( -0.337 0.584 1.238) 1.410 21.444 ( 1.007 -1.745 5.195) 5.572 21.753 ( -1.285 2.226 -7.130) 7.579 ======================= Grid point 256 (48/162) ======================= q-point: (-0.42 0.58 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 1.196 2.072 5.341) 5.853 3.156 ( -0.257 -0.445 -4.732) 4.760 3.551 ( 11.353 19.664 8.147) 24.124 3.606 ( 0.824 1.427 -3.032) 3.451 4.643 ( -1.715 -2.970 -0.645) 3.490 4.693 ( 9.092 15.747 1.614) 18.255 7.483 ( -7.971 -13.805 -1.979) 16.063 7.550 ( -5.620 -9.734 -8.770) 14.256 7.895 ( -6.063 -10.501 1.298) 12.195 9.215 ( -0.157 -0.273 -3.376) 3.391 9.384 ( 3.521 6.099 5.302) 8.815 9.880 ( 6.528 11.306 -3.857) 13.613 10.384 ( 5.863 10.155 2.867) 12.071 11.706 ( -10.719 -18.566 4.080) 21.823 12.885 ( 4.824 8.355 7.335) 12.120 14.459 ( -4.300 -7.448 0.338) 8.607 15.561 ( 8.532 14.777 -1.365) 17.118 16.614 ( -0.186 -0.321 0.458) 0.589 17.065 ( -9.009 -15.604 -2.525) 18.194 17.591 ( -0.942 -1.632 9.051) 9.245 17.825 ( -2.357 -4.083 1.555) 4.964 19.315 ( 11.874 20.567 -1.821) 23.819 19.745 ( 1.379 2.388 -8.431) 8.870 20.666 ( -6.838 -11.843 -6.351) 15.079 21.337 ( 0.759 1.314 1.183) 1.924 21.446 ( -0.759 -1.315 2.502) 2.927 21.772 ( 0.131 0.227 -4.304) 4.312 ======================= Grid point 258 (49/162) ======================= q-point: (-0.33 0.58 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -0.687 3.408 4.213) 5.462 3.127 ( 1.820 -5.917 0.871) 6.252 3.605 ( -4.285 7.209 -2.683) 8.805 3.903 ( 2.179 19.469 4.930) 20.202 4.503 ( -7.258 2.273 1.198) 7.700 5.069 ( 12.145 5.078 -2.836) 13.465 7.131 ( -20.328 9.115 -1.830) 22.353 7.428 ( 0.494 -8.842 -8.795) 12.481 7.773 ( 9.413 -21.749 0.162) 23.699 9.228 ( -0.572 2.597 -3.123) 4.102 9.425 ( 1.852 -2.906 2.124) 4.048 10.094 ( -3.728 19.036 -0.788) 19.413 10.647 ( 16.761 -0.455 2.999) 17.034 11.333 ( -9.222 -16.961 5.028) 19.950 12.997 ( 0.087 5.661 7.866) 9.692 14.357 ( -0.421 -4.639 -0.158) 4.661 15.793 ( 3.091 8.899 -0.482) 9.433 16.625 ( 0.558 2.595 -1.532) 3.064 16.810 ( -5.697 -8.236 -1.590) 10.140 17.549 ( -2.703 1.283 9.347) 9.814 17.781 ( 4.294 -9.050 2.661) 10.365 19.552 ( -8.956 22.494 -5.110) 24.745 19.938 ( 17.668 0.403 -6.119) 18.702 20.380 ( -8.248 -16.633 -4.924) 19.208 21.360 ( 0.269 1.264 2.197) 2.549 21.419 ( -0.143 -1.764 4.336) 4.683 21.785 ( -0.166 1.478 -8.157) 8.291 ======================= Grid point 271 (50/162) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -2.543 -4.405 3.543) 6.198 3.014 ( 2.543 4.405 3.543) 6.198 3.660 ( 0.000 0.000 -4.609) 4.609 4.304 ( -8.963 -15.525 3.060) 18.186 4.304 ( 8.963 15.525 3.060) 18.186 5.182 ( 0.000 0.000 -3.107) 3.107 7.332 ( 0.000 0.000 -10.304) 10.304 7.375 ( -8.048 -13.939 -0.887) 16.120 7.375 ( 8.048 13.939 -0.887) 16.120 9.323 ( -2.975 -5.153 -1.055) 6.043 9.323 ( 2.975 5.153 -1.055) 6.043 10.488 ( -8.284 -14.348 1.837) 16.670 10.488 ( 8.284 14.348 1.837) 16.670 11.131 ( 0.000 0.000 6.035) 6.035 13.054 ( 0.000 0.000 8.137) 8.137 14.310 ( 0.000 0.000 -0.496) 0.496 15.885 ( 0.000 0.000 0.003) 0.003 16.689 ( -2.136 -3.699 -1.295) 4.463 16.689 ( 2.136 3.699 -1.295) 4.463 17.624 ( -3.103 -5.375 5.859) 8.535 17.624 ( 3.103 5.375 5.859) 8.535 19.926 ( -3.456 -5.987 -7.248) 10.016 19.926 ( 3.456 5.987 -7.248) 10.016 20.079 ( 0.000 0.000 -1.268) 1.268 21.387 ( -0.730 -1.264 3.498) 3.790 21.387 ( 0.730 1.264 3.498) 3.790 21.801 ( 0.000 0.000 -9.042) 9.042 ======================= Grid point 314 (51/162) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 -0.000 25.366) 25.366 1.077 ( 0.000 0.000 25.366) 25.366 2.088 ( 0.000 -0.000 47.069) 47.069 3.779 ( 0.000 -0.000 -9.595) 9.595 3.779 ( 0.000 0.000 -9.595) 9.595 5.347 ( 0.000 0.000 -1.914) 1.914 5.770 ( 0.000 0.000 2.323) 2.323 7.731 ( 0.000 -0.000 -8.009) 8.009 7.731 ( 0.000 -0.000 -8.009) 8.009 10.009 ( 0.000 0.000 0.351) 0.351 10.251 ( 0.000 -0.000 4.271) 4.271 10.251 ( 0.000 -0.000 4.271) 4.271 11.148 ( 0.000 -0.000 -4.222) 4.222 11.829 ( 0.000 0.000 0.033) 0.033 11.829 ( 0.000 -0.000 0.033) 0.033 15.016 ( 0.000 -0.000 -3.989) 3.989 15.016 ( 0.000 -0.000 -3.989) 3.989 15.424 ( 0.000 -0.000 3.002) 3.002 15.424 ( 0.000 -0.000 3.002) 3.002 17.359 ( 0.000 0.000 -10.143) 10.143 17.359 ( 0.000 0.000 -10.143) 10.143 18.217 ( 0.000 0.000 3.246) 3.246 20.098 ( 0.000 -0.000 -1.923) 1.923 21.310 ( -0.000 -0.000 -1.966) 1.966 21.617 ( 0.000 0.000 3.650) 3.650 21.617 ( 0.000 0.000 3.650) 3.650 22.233 ( 0.000 0.000 2.620) 2.620 ======================= Grid point 315 (52/162) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 23.841 -0.184 18.285) 30.046 1.503 ( 18.294 13.551 24.501) 33.446 2.363 ( 23.173 20.261 36.827) 47.997 3.639 ( -11.160 5.545 -11.904) 17.234 3.973 ( 14.690 -3.315 -7.647) 16.889 4.883 ( -28.619 -15.337 10.646) 34.170 5.786 ( 0.840 1.383 1.648) 2.310 7.716 ( 2.983 -3.966 -8.370) 9.731 7.809 ( 2.670 3.098 -7.212) 8.291 9.916 ( -7.366 -3.428 1.332) 8.233 10.242 ( -4.282 6.422 3.808) 8.607 10.674 ( 16.389 3.939 -9.826) 19.511 11.223 ( 11.170 3.481 -4.633) 12.584 11.769 ( -2.585 -3.736 -0.198) 4.547 11.866 ( 1.708 3.967 0.089) 4.320 14.979 ( 5.872 -11.721 -3.960) 13.694 15.136 ( 0.832 5.814 -2.346) 6.325 15.462 ( -0.631 14.624 1.054) 14.675 16.045 ( 49.630 23.666 -20.182) 58.571 17.290 ( -6.750 2.626 -9.347) 11.824 17.442 ( 8.652 -1.979 -9.806) 13.226 18.248 ( 2.087 1.571 2.395) 3.544 20.111 ( 1.105 0.597 -1.901) 2.279 21.279 ( -5.497 -2.532 -1.233) 6.177 21.421 ( -13.647 -4.379 3.547) 14.764 21.605 ( 1.914 -9.824 4.202) 10.855 22.177 ( -5.802 3.356 6.180) 9.117 ======================= Grid point 316 (53/162) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 22.824 8.815 13.224) 27.812 1.867 ( 20.963 0.670 21.402) 29.966 3.117 ( 25.555 25.702 18.348) 40.624 3.511 ( -9.809 9.679 -9.755) 16.884 4.127 ( -0.318 -8.202 -7.129) 10.872 4.478 ( 6.274 -1.562 15.627) 16.911 5.809 ( -0.974 2.216 0.413) 2.455 7.737 ( 3.410 -3.232 -7.690) 9.012 7.882 ( 3.384 2.201 -6.229) 7.423 9.702 ( -11.810 -5.433 2.254) 13.193 10.228 ( -4.822 6.212 2.746) 8.329 10.649 ( -9.004 -6.889 -7.508) 13.598 11.293 ( -7.675 -9.330 -2.597) 12.357 11.862 ( 17.094 -1.943 -0.828) 17.224 11.961 ( 1.258 10.219 0.434) 10.305 14.965 ( 7.225 -14.002 -2.961) 16.032 15.153 ( -7.339 10.234 0.945) 12.629 15.685 ( 11.668 10.255 -0.922) 15.561 17.128 ( 38.981 24.448 -32.957) 56.598 17.201 ( -5.807 4.004 -7.052) 9.974 17.619 ( 13.656 -1.072 -9.874) 16.886 18.294 ( 0.998 1.377 1.024) 1.985 20.142 ( 1.404 0.713 -1.812) 2.400 20.892 ( -20.917 -13.971 3.149) 25.350 21.318 ( -0.871 -1.179 -1.385) 2.017 21.523 ( 0.247 -9.557 4.036) 10.377 22.139 ( -5.883 8.313 7.269) 12.512 ======================= Grid point 317 (54/162) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 15.486 7.006 13.371) 21.626 2.320 ( 26.140 3.019 7.168) 27.273 3.286 ( -7.498 3.143 -3.415) 8.818 3.698 ( 3.420 8.777 7.579) 12.090 3.922 ( -6.154 -0.138 1.323) 6.296 5.082 ( 42.865 18.355 8.183) 47.342 5.773 ( -5.560 1.282 0.355) 5.717 7.762 ( 1.437 -0.031 -6.253) 6.416 7.985 ( 6.771 1.452 -5.661) 8.944 9.433 ( -12.277 -5.869 3.343) 14.012 10.183 ( -9.371 6.779 0.115) 11.567 10.360 ( -12.410 -10.715 -5.409) 17.265 10.930 ( -17.516 -15.659 -1.877) 23.570 12.069 ( 9.037 -1.777 1.612) 9.350 12.164 ( 10.322 7.684 2.912) 13.193 14.944 ( 7.085 -15.579 -0.913) 17.138 15.108 ( -10.696 12.925 0.628) 16.788 16.029 ( 16.203 9.109 -1.480) 18.647 17.168 ( -2.758 6.999 -4.136) 8.585 17.768 ( 17.139 7.052 -13.473) 22.913 17.890 ( 14.730 5.080 -13.115) 20.366 18.293 ( -1.926 -0.307 -0.007) 1.950 20.129 ( -4.879 -2.861 0.264) 5.662 20.481 ( -8.785 -9.383 -7.155) 14.711 21.296 ( -0.354 -1.545 -1.994) 2.547 21.439 ( 0.171 -7.623 3.032) 8.206 22.124 ( -5.913 8.754 6.472) 12.389 ======================= Grid point 318 (55/162) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 14.982 4.430 4.970) 16.395 2.717 ( 16.560 -0.090 -0.554) 16.570 3.208 ( -4.498 2.832 0.893) 5.389 3.635 ( -5.677 -0.734 2.768) 6.358 4.028 ( 7.549 8.889 8.691) 14.544 5.558 ( -11.798 -2.808 1.217) 12.189 6.143 ( 44.465 26.239 4.835) 51.856 7.793 ( 0.234 3.582 -4.920) 6.090 8.139 ( 9.361 0.683 -4.842) 10.561 9.190 ( -8.960 -5.634 4.066) 11.338 9.920 ( -21.414 -3.028 -5.010) 22.199 10.150 ( -7.717 -0.384 -1.512) 7.873 10.437 ( -17.183 -20.725 -1.520) 26.965 12.198 ( 5.179 3.159 2.961) 6.750 12.385 ( 10.989 -0.321 5.340) 12.222 14.888 ( 2.867 -12.965 1.555) 13.369 15.065 ( -7.448 10.447 -1.765) 12.950 16.380 ( 13.764 8.276 -0.920) 16.087 17.258 ( 3.353 10.584 -0.926) 11.141 17.977 ( 2.379 -0.275 2.394) 3.386 18.124 ( 10.722 1.606 -8.282) 13.643 18.227 ( -3.628 -2.632 -1.654) 4.778 19.905 ( -11.369 -6.369 -3.906) 13.604 20.434 ( 4.410 -1.226 -14.040) 14.767 21.274 ( -0.025 -2.176 -2.266) 3.142 21.383 ( 1.035 -5.800 1.889) 6.187 22.107 ( -5.912 8.361 5.548) 11.647 ======================= Grid point 319 (56/162) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 11.267 1.569 -5.090) 12.463 2.874 ( 7.241 -4.968 -0.976) 8.835 3.148 ( -5.164 -1.084 4.486) 6.926 3.601 ( -0.714 3.866 1.707) 4.286 4.325 ( 14.665 12.903 9.369) 21.665 5.226 ( -20.063 -6.184 5.448) 21.689 7.139 ( 38.757 25.942 0.446) 46.640 7.836 ( -0.745 5.426 -4.210) 6.908 8.263 ( 2.609 -2.360 -3.402) 4.894 9.028 ( -2.037 -6.629 3.899) 7.956 9.507 ( -19.860 -5.969 -2.729) 20.917 9.905 ( -18.507 -2.410 -4.069) 19.102 10.104 ( -0.595 -11.914 -0.709) 11.950 12.299 ( 2.062 4.035 4.043) 6.073 12.528 ( 8.596 -4.867 6.306) 11.720 14.807 ( 0.463 -7.821 1.802) 8.039 15.054 ( -3.730 6.200 -2.577) 7.681 16.634 ( 6.886 6.319 1.166) 9.419 17.479 ( 7.567 13.388 0.542) 15.388 17.907 ( -6.196 -1.187 10.696) 12.418 18.078 ( -8.556 -3.314 0.496) 9.188 18.335 ( 14.115 -7.542 -8.646) 18.190 19.691 ( -8.508 -1.388 -8.017) 11.772 20.509 ( 4.519 -1.183 -15.670) 16.351 21.254 ( 0.551 -2.486 -2.362) 3.473 21.357 ( 1.790 -4.560 1.194) 5.042 22.090 ( -5.523 8.209 4.870) 11.027 ======================= Grid point 320 (57/162) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 3.753 -6.500 -15.602) 17.314 2.949 ( 1.425 -2.469 7.074) 7.627 3.045 ( 0.593 -1.027 5.645) 5.769 3.624 ( -1.892 3.277 0.720) 3.852 4.693 ( -1.285 2.226 -0.688) 2.661 4.847 ( -3.331 5.770 16.991) 18.250 7.778 ( -4.075 7.057 -4.552) 9.335 7.879 ( -2.411 4.175 -4.001) 6.265 8.116 ( 1.232 -2.134 0.132) 2.468 9.011 ( 6.045 -10.470 5.026) 13.093 9.248 ( -1.662 2.878 -2.243) 4.009 9.713 ( -2.954 5.116 -4.410) 7.372 10.046 ( 2.759 -4.778 -1.353) 5.681 12.338 ( -1.621 2.808 4.438) 5.497 12.579 ( 4.703 -8.146 6.547) 11.460 14.770 ( 2.683 -4.647 1.551) 5.585 15.054 ( -2.814 4.874 -2.634) 6.214 16.727 ( -1.411 2.445 2.688) 3.898 17.690 ( -7.780 13.475 -2.397) 15.744 17.809 ( 1.988 -3.444 13.817) 14.377 17.939 ( 0.243 -0.420 2.331) 2.381 18.426 ( 7.950 -13.770 -8.266) 17.921 19.607 ( -2.549 4.414 -8.855) 10.217 20.544 ( 1.668 -2.888 -16.084) 16.426 21.247 ( 1.296 -2.244 -2.360) 3.505 21.350 ( 2.317 -4.013 0.995) 4.740 22.083 ( -4.871 8.436 4.618) 10.780 ======================= Grid point 328 (58/162) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 13.671 23.679 11.024) 29.481 1.730 ( 6.083 10.537 25.982) 28.689 3.015 ( 21.605 37.421 23.183) 49.036 3.800 ( 3.652 6.325 -16.785) 18.305 3.873 ( -1.109 -1.922 -2.050) 3.021 4.504 ( -9.355 -16.204 15.667) 24.404 5.828 ( 1.302 2.256 0.718) 2.702 7.673 ( 0.102 0.176 -7.957) 7.959 7.868 ( 1.657 2.870 -6.371) 7.181 9.786 ( -5.442 -9.427 1.805) 11.033 10.304 ( -0.334 -0.578 4.054) 4.109 10.691 ( -2.992 -5.182 -8.802) 10.644 11.361 ( 4.009 6.944 -4.965) 9.431 11.612 ( -5.507 -9.538 0.094) 11.014 12.028 ( 6.227 10.786 -0.106) 12.455 14.813 ( -3.123 -5.408 -1.870) 6.519 15.331 ( 6.904 11.958 -2.747) 14.078 15.586 ( 1.433 2.482 2.267) 3.654 16.878 ( 27.957 48.424 -35.016) 65.974 17.321 ( -1.542 -2.671 -6.633) 7.315 17.453 ( 4.039 6.997 -10.746) 13.444 18.291 ( 1.253 2.171 1.189) 2.774 20.132 ( 0.825 1.429 -1.966) 2.567 21.019 ( -13.722 -23.768 7.481) 28.446 21.322 ( -1.308 -2.265 -0.874) 2.757 21.456 ( -2.721 -4.714 2.430) 5.961 22.241 ( 1.333 2.309 5.889) 6.464 ======================= Grid point 329 (59/162) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 9.938 11.136 17.070) 22.675 2.025 ( 20.590 19.805 6.285) 29.252 3.427 ( -1.857 4.978 1.552) 5.536 3.772 ( -3.537 6.766 3.227) 8.289 3.984 ( -0.520 -2.162 -0.433) 2.265 4.637 ( 29.757 23.668 12.134) 39.911 5.849 ( -1.642 1.157 0.043) 2.010 7.716 ( 3.432 1.528 -6.942) 7.893 7.921 ( 2.297 1.265 -5.818) 6.382 9.563 ( -9.610 -8.421 2.594) 13.039 10.252 ( -2.206 -5.209 2.484) 6.178 10.489 ( -10.842 -9.019 -6.825) 15.667 11.202 ( -22.237 0.321 -1.803) 22.312 11.645 ( 18.999 -14.819 -0.238) 24.097 12.242 ( 4.190 13.322 1.958) 14.102 14.736 ( 1.752 -8.959 -0.917) 9.174 15.443 ( -10.942 16.579 -0.019) 19.865 15.782 ( 19.254 2.366 -0.890) 19.420 17.257 ( -3.002 0.700 -3.652) 4.779 17.567 ( 12.744 8.322 -11.576) 19.123 17.768 ( 17.157 24.368 -25.153) 38.998 18.311 ( -0.548 -0.208 0.184) 0.615 20.157 ( 0.041 0.751 -1.850) 1.997 20.541 ( -13.681 -19.191 3.380) 23.809 21.290 ( -0.760 -1.591 -2.095) 2.738 21.374 ( -0.967 -5.800 1.919) 6.185 22.267 ( -2.094 4.588 5.509) 7.469 ======================= Grid point 330 (60/162) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 11.513 9.957 7.168) 16.825 2.519 ( 15.047 14.329 1.478) 20.831 3.349 ( -6.877 3.595 -0.015) 7.759 3.727 ( -5.062 -0.077 3.723) 6.284 4.000 ( 3.898 4.582 6.412) 8.792 5.562 ( 30.868 25.435 5.964) 40.440 5.807 ( 4.045 4.897 2.048) 6.674 7.799 ( 2.550 3.717 -5.118) 6.820 7.990 ( 6.459 -1.198 -5.341) 8.467 9.316 ( -10.418 -5.874 3.084) 12.351 10.083 ( -7.999 -16.641 -1.651) 18.537 10.216 ( -9.346 -5.207 -3.882) 11.381 10.767 ( -27.608 0.486 -1.415) 27.649 11.828 ( 19.534 -15.965 1.638) 25.282 12.426 ( 2.256 12.580 4.081) 13.416 14.681 ( 3.277 -11.124 -0.253) 11.599 15.388 ( -12.001 14.157 0.247) 18.561 16.176 ( 19.160 7.546 -1.575) 20.652 17.258 ( 2.339 1.518 0.215) 2.797 17.782 ( 10.197 -1.469 -2.825) 10.682 18.166 ( 3.045 16.135 -12.741) 20.783 18.267 ( -2.311 -1.612 -1.868) 3.381 20.047 ( -11.102 -4.680 -0.944) 12.085 20.321 ( 3.717 -6.597 -9.061) 11.808 21.259 ( -0.740 -2.079 -2.432) 3.284 21.314 ( 0.393 -5.143 1.261) 5.310 22.265 ( -3.812 5.535 4.851) 8.289 ======================= Grid point 331 (61/162) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 9.838 5.449 -3.413) 11.752 2.780 ( 4.963 5.374 0.217) 7.318 3.293 ( -7.293 7.229 4.263) 11.119 3.673 ( -3.053 4.865 2.527) 6.275 4.214 ( 12.608 10.340 8.106) 18.209 5.495 ( -16.327 -3.569 3.504) 17.075 6.674 ( 43.021 26.074 3.481) 50.426 7.862 ( 1.271 2.517 -3.723) 4.670 8.114 ( 8.953 -2.900 -4.213) 10.311 9.101 ( -9.239 -3.395 2.268) 10.101 9.694 ( -14.766 -18.407 -2.784) 23.761 10.034 ( -5.767 -8.310 -2.986) 10.547 10.327 ( -25.368 6.489 -1.210) 26.213 11.986 ( 17.568 -17.037 3.095) 24.667 12.564 ( 0.060 10.946 5.211) 12.123 14.627 ( 3.722 -11.822 -0.066) 12.395 15.331 ( -10.874 14.247 -0.423) 17.927 16.539 ( 12.906 8.442 -0.378) 15.426 17.376 ( 9.856 1.165 3.758) 10.612 17.862 ( 4.629 -9.077 7.452) 12.623 18.127 ( -5.148 -6.320 -0.760) 8.187 18.334 ( -3.560 15.919 -10.637) 19.474 19.834 ( -9.298 -0.901 -6.260) 11.245 20.375 ( 7.014 -4.749 -12.595) 15.179 21.227 ( -0.219 -2.375 -2.563) 3.501 21.285 ( 1.405 -4.198 0.684) 4.479 22.251 ( -4.437 6.148 4.239) 8.687 ======================= Grid point 332 (62/162) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 4.313 -1.963 -12.546) 13.411 2.877 ( 3.802 0.733 5.271) 6.540 3.224 ( -11.131 12.853 5.498) 17.869 3.694 ( -1.566 5.011 1.217) 5.389 4.600 ( 15.827 13.827 5.374) 21.693 5.123 ( -20.756 -3.821 8.922) 22.913 7.572 ( 34.460 16.023 0.045) 38.004 7.893 ( 0.590 -0.098 -3.246) 3.301 8.130 ( -3.821 -10.958 -1.880) 11.757 8.942 ( -5.032 -1.607 0.558) 5.312 9.302 ( -8.703 -12.140 -1.751) 15.039 9.873 ( -8.065 3.344 -2.202) 9.004 10.086 ( -9.526 5.101 -1.857) 10.964 12.080 ( 13.901 -18.990 3.849) 23.847 12.639 ( -2.902 8.972 5.619) 10.977 14.585 ( 4.947 -11.015 -0.202) 12.077 15.300 ( -9.430 14.835 -0.839) 17.598 16.752 ( 3.249 5.634 2.181) 6.860 17.601 ( 14.760 -0.497 5.643) 15.809 17.794 ( -0.102 -11.023 11.402) 15.859 17.952 ( -5.192 -7.442 0.697) 9.101 18.414 ( -5.496 14.627 -12.894) 20.258 19.718 ( -5.469 3.304 -7.438) 9.806 20.433 ( 5.553 -6.227 -14.026) 16.320 21.209 ( 0.617 -2.040 -2.766) 3.492 21.274 ( 1.928 -3.804 0.583) 4.304 22.239 ( -4.262 6.692 3.886) 8.834 ======================= Grid point 341 (63/162) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 7.661 13.269 7.407) 17.019 2.465 ( 12.268 21.249 2.775) 24.693 3.442 ( -0.531 -0.920 0.138) 1.071 3.781 ( 0.513 0.889 3.099) 3.265 3.985 ( 0.075 0.129 5.340) 5.342 5.368 ( 25.675 44.470 9.270) 52.179 5.831 ( -1.928 -3.339 0.142) 3.859 7.794 ( 3.403 5.894 -5.587) 8.805 7.925 ( -0.386 -0.668 -5.068) 5.127 9.383 ( -5.439 -9.420 2.537) 11.170 10.051 ( -8.226 -14.248 0.177) 16.453 10.280 ( -6.722 -11.643 -5.786) 14.637 11.229 ( -4.436 -7.684 2.830) 9.313 11.363 ( -2.585 -4.477 -2.903) 5.929 12.472 ( 5.804 10.052 3.868) 12.235 14.594 ( -3.326 -5.761 -0.292) 6.659 15.640 ( 0.726 1.257 1.013) 1.770 15.969 ( 10.826 18.752 -2.533) 21.801 17.243 ( -0.601 -1.042 0.113) 1.208 17.683 ( 2.748 4.760 -2.791) 6.165 18.234 ( 11.009 19.068 -17.792) 28.308 18.272 ( -2.244 -3.887 -0.134) 4.490 20.170 ( -0.057 -0.099 -3.082) 3.084 20.204 ( -7.604 -13.170 -3.442) 15.592 21.257 ( -0.986 -1.708 -2.577) 3.245 21.281 ( -2.137 -3.701 0.943) 4.377 22.328 ( 1.056 1.829 4.502) 4.972 ======================= Grid point 342 (64/162) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 6.948 8.326 -2.702) 11.176 2.770 ( 4.977 8.516 1.955) 10.055 3.465 ( -0.754 8.961 4.254) 9.948 3.825 ( -5.202 11.252 2.800) 12.709 4.072 ( 11.989 3.221 6.035) 13.804 5.690 ( -9.780 -4.011 1.638) 10.697 6.280 ( 33.684 32.743 6.355) 47.404 7.873 ( -1.188 0.893 -3.833) 4.111 7.958 ( 6.940 0.330 -3.948) 7.991 9.204 ( -6.641 -5.317 1.267) 8.601 9.703 ( -11.320 -21.068 -2.109) 24.010 10.075 ( -5.682 -6.293 -4.139) 9.435 10.873 ( -28.483 7.625 0.719) 29.495 11.469 ( 20.205 -20.071 0.690) 28.487 12.642 ( 2.901 9.306 4.906) 10.913 14.497 ( -0.390 -7.686 -0.334) 7.703 15.622 ( -6.919 8.911 0.203) 11.283 16.380 ( 16.000 13.639 -1.843) 21.104 17.247 ( 3.343 -1.710 3.926) 5.433 17.729 ( 1.795 -4.148 6.547) 7.956 18.154 ( -5.074 -7.119 0.100) 8.743 18.519 ( 2.922 16.193 -12.500) 20.664 19.983 ( -8.902 -1.394 -8.099) 12.116 20.202 ( 5.870 -5.795 -7.349) 11.047 21.217 ( -1.234 -2.089 -1.690) 2.957 21.234 ( 0.212 -3.034 -0.718) 3.126 22.348 ( -1.271 3.030 3.785) 5.012 ======================= Grid point 343 (65/162) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 3.949 2.126 -8.220) 9.364 2.841 ( 0.851 -0.472 2.907) 3.066 3.571 ( -4.754 19.655 5.584) 20.979 3.811 ( -7.239 9.154 1.931) 11.829 4.437 ( 18.712 11.629 5.530) 22.714 5.412 ( -16.825 -4.999 4.438) 18.104 7.130 ( 33.923 19.297 3.974) 39.230 7.849 ( 1.214 -4.183 -3.205) 5.408 8.048 ( 2.427 -3.847 -1.028) 4.663 9.051 ( -7.085 -1.914 -2.064) 7.624 9.305 ( -9.736 -18.121 -3.424) 20.853 9.992 ( -2.116 4.078 -1.770) 4.923 10.473 ( -25.466 7.165 -0.076) 26.455 11.595 ( 18.279 -22.162 2.068) 28.802 12.753 ( -0.125 7.950 5.307) 9.559 14.430 ( 1.768 -8.052 -0.704) 8.274 15.598 ( -8.035 12.244 -0.271) 14.648 16.726 ( 8.866 10.414 0.220) 13.679 17.338 ( 10.581 -4.134 5.910) 12.806 17.678 ( 0.597 -8.430 12.902) 15.424 17.968 ( -6.297 -9.463 1.197) 11.430 18.682 ( -3.265 17.713 -14.193) 22.932 19.852 ( -6.962 2.132 -7.749) 10.633 20.251 ( 7.020 -7.617 -10.682) 14.880 21.186 ( -0.183 -1.688 -2.373) 2.917 21.215 ( 0.971 -2.885 -0.453) 3.077 22.350 ( -2.341 3.953 3.337) 5.678 ======================= Grid point 344 (66/162) ======================= q-point: ( 0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.360 -0.623 -9.566) 9.593 2.841 ( 1.793 -3.105 3.665) 5.128 3.640 ( -14.885 25.782 5.778) 30.326 3.786 ( -2.408 4.171 0.877) 4.896 4.769 ( 0.095 -0.164 2.495) 2.503 5.134 ( -3.958 6.856 8.624) 11.707 7.672 ( 4.915 -8.512 2.226) 10.078 7.839 ( 3.129 -5.419 -3.033) 6.954 7.930 ( 2.102 -3.640 1.912) 4.618 8.963 ( -1.687 2.922 -4.381) 5.529 9.118 ( 3.423 -5.929 -4.204) 8.034 10.047 ( -6.823 11.817 0.413) 13.652 10.230 ( -6.074 10.521 -1.209) 12.209 11.643 ( 14.236 -24.658 2.463) 28.578 12.791 ( -3.517 6.092 5.397) 8.866 14.404 ( 4.097 -7.097 -0.911) 8.245 15.590 ( -7.821 13.546 -0.421) 15.647 16.855 ( -2.754 4.770 2.623) 6.100 17.455 ( 7.237 -12.535 5.420) 15.456 17.628 ( 2.578 -4.465 12.853) 13.848 17.830 ( 2.825 -4.894 3.189) 6.489 18.745 ( -9.410 16.299 -15.701) 24.510 19.799 ( -2.691 4.661 -6.816) 8.685 20.275 ( 5.368 -9.298 -11.611) 15.814 21.176 ( 0.689 -1.193 -2.825) 3.144 21.209 ( 1.559 -2.700 -0.130) 3.120 22.349 ( -2.524 4.372 3.186) 5.969 ======================= Grid point 351 (67/162) ======================= q-point: (-0.08 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -9.900 17.147 19.079) 27.496 1.902 ( -15.470 26.795 18.716) 36.161 2.774 ( -17.512 30.332 22.663) 41.718 3.419 ( 5.308 -9.193 -11.363) 15.550 4.215 ( -1.120 1.940 -8.863) 9.142 4.517 ( 3.543 -6.136 16.668) 18.112 5.783 ( 0.324 -0.562 0.604) 0.886 7.789 ( -0.797 1.381 -7.873) 8.033 7.854 ( -2.299 3.983 -6.632) 8.071 9.762 ( 5.937 -10.283 1.903) 12.026 10.134 ( 2.527 -4.377 2.783) 5.769 10.724 ( 3.837 -6.646 -7.931) 11.036 11.500 ( -6.947 12.033 -4.233) 14.525 11.640 ( 5.289 -9.162 0.483) 10.590 11.985 ( -6.693 11.593 -0.144) 13.387 15.014 ( 2.836 -4.911 -1.072) 5.772 15.347 ( -1.055 1.827 0.859) 2.278 15.360 ( -8.383 14.521 -4.789) 17.437 16.870 ( -25.701 44.516 -31.353) 60.210 17.154 ( 3.737 -6.473 -8.034) 10.973 17.640 ( -6.772 11.730 -9.793) 16.714 18.277 ( -0.863 1.495 1.566) 2.331 20.134 ( -0.886 1.534 -1.906) 2.602 21.032 ( 11.023 -19.092 0.459) 22.050 21.331 ( 0.654 -1.132 -0.989) 1.639 21.676 ( 0.028 -0.049 4.021) 4.022 22.006 ( 4.308 -7.462 10.086) 13.265 ======================= Grid point 355 (68/162) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 2.509 4.346 -6.563) 8.262 2.832 ( -0.563 -0.976 2.070) 2.356 3.679 ( 6.285 10.887 4.323) 13.293 4.083 ( 3.731 6.463 7.513) 10.589 4.217 ( 10.493 18.174 1.199) 21.020 5.545 ( -6.097 -10.560 2.118) 12.377 6.911 ( 17.418 30.169 6.176) 35.379 7.810 ( -2.578 -4.465 -3.399) 6.176 8.007 ( 0.570 0.987 -0.492) 1.241 9.105 ( -2.763 -4.786 -2.450) 6.045 9.296 ( -10.616 -18.388 -4.191) 21.643 10.031 ( 1.600 2.772 -1.638) 3.596 10.975 ( -4.169 -7.221 3.844) 9.182 11.086 ( -5.178 -8.968 -2.160) 10.578 12.794 ( 3.426 5.934 5.201) 8.602 14.374 ( -2.772 -4.801 -0.816) 5.603 15.745 ( 2.296 3.977 -0.084) 4.593 16.689 ( 9.285 16.082 -1.266) 18.613 17.220 ( -0.321 -0.556 7.131) 7.160 17.629 ( -3.014 -5.220 13.288) 14.592 17.976 ( -6.090 -10.548 1.095) 12.228 18.806 ( 7.236 12.533 -14.605) 20.561 19.965 ( -1.120 -1.940 -11.773) 11.985 20.104 ( -1.734 -3.003 -5.478) 6.483 21.182 ( -0.814 -1.411 -0.338) 1.664 21.189 ( -0.891 -1.543 -2.741) 3.269 22.391 ( 0.825 1.429 3.139) 3.547 ======================= Grid point 356 (69/162) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 1.091 2.634 -5.780) 6.445 2.787 ( -0.317 -4.105 1.166) 4.279 3.836 ( 1.547 5.669 1.084) 5.975 4.147 ( -11.544 23.339 7.058) 26.978 4.621 ( 16.733 4.846 3.910) 17.854 5.299 ( -10.379 -5.870 2.175) 12.120 7.440 ( 17.458 12.959 5.749) 22.489 7.741 ( 0.526 -5.302 -3.009) 6.119 7.916 ( -5.639 -10.066 3.618) 12.092 9.018 ( -3.087 -1.575 -6.348) 7.232 9.050 ( -2.245 -7.040 -6.337) 9.734 10.197 ( 5.835 16.271 0.656) 17.298 10.589 ( -25.597 4.106 0.630) 25.932 11.125 ( 16.895 -24.784 0.845) 30.006 12.874 ( -0.036 4.207 5.254) 6.731 14.309 ( 0.442 -4.142 -1.232) 4.344 15.794 ( -2.755 7.138 -0.326) 7.659 16.940 ( 2.196 10.697 1.846) 11.075 17.238 ( 5.506 -5.480 7.632) 10.890 17.563 ( 0.773 -2.607 13.233) 13.509 17.766 ( -4.255 -10.427 3.400) 11.764 18.991 ( -1.054 12.523 -17.773) 21.767 19.901 ( -4.794 2.636 -7.554) 9.327 20.090 ( 5.020 -7.964 -8.176) 12.469 21.162 ( -0.166 -0.776 -2.133) 2.276 21.171 ( 0.413 -1.560 -1.268) 2.052 22.408 ( -0.643 1.936 2.837) 3.494 ======================= Grid point 362 (70/162) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -12.590 15.444 15.256) 25.096 2.395 ( -9.323 29.343 14.683) 34.110 3.247 ( 1.339 -1.037 -4.522) 4.829 3.405 ( -21.272 6.408 5.739) 22.945 3.976 ( 9.609 -11.713 -0.843) 15.174 4.869 ( -21.206 27.960 10.070) 36.509 5.750 ( 1.466 -4.087 -0.463) 4.367 7.783 ( 1.641 -0.417 -7.007) 7.209 7.954 ( -4.272 5.074 -5.448) 8.584 9.533 ( 9.018 -8.678 2.830) 12.831 10.039 ( 0.436 -11.535 0.729) 11.566 10.506 ( 10.291 -10.186 -6.606) 15.915 11.300 ( 22.015 1.321 -0.053) 22.055 11.763 ( -16.275 -9.912 0.024) 19.055 12.253 ( -5.990 17.951 2.261) 19.059 14.919 ( -0.342 -9.955 0.716) 9.986 15.287 ( 11.535 14.713 -0.943) 18.719 15.773 ( -21.244 5.916 -2.784) 22.228 17.049 ( 0.059 -6.984 -6.079) 9.259 17.598 ( -18.858 21.715 -21.950) 36.180 17.899 ( -7.242 15.325 -8.951) 19.169 18.289 ( 0.153 -0.989 0.731) 1.239 20.159 ( 0.143 0.844 -1.808) 2.000 20.639 ( 13.420 -13.431 -6.394) 20.034 21.317 ( 0.626 0.086 -1.582) 1.703 21.609 ( 7.947 3.186 4.443) 9.646 21.933 ( -4.752 -10.072 8.884) 14.246 ======================= Grid point 368 (71/162) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -2.031 -3.517 -2.026) 4.538 2.703 ( 2.031 3.517 -2.026) 4.538 3.886 ( 0.000 0.000 0.409) 0.409 4.542 ( -6.774 -11.733 7.054) 15.274 4.542 ( 6.774 11.733 7.054) 15.274 5.230 ( 0.000 0.000 -2.014) 2.014 7.682 ( 0.000 0.000 -3.041) 3.041 7.683 ( -6.108 -10.579 6.293) 13.741 7.683 ( 6.108 10.579 6.293) 13.741 8.995 ( -0.125 -0.217 -7.734) 7.739 8.995 ( 0.125 0.217 -7.734) 7.739 10.571 ( -7.473 -12.943 2.528) 15.158 10.571 ( 7.473 12.943 2.528) 15.158 10.727 ( 0.000 0.000 -2.508) 2.508 12.916 ( -0.000 -0.000 5.213) 5.213 14.268 ( -0.000 -0.000 -1.438) 1.438 15.866 ( -0.000 -0.000 -0.404) 0.404 17.120 ( -3.546 -6.142 5.877) 9.211 17.120 ( 3.546 6.142 5.877) 9.211 17.593 ( -2.918 -5.054 8.166) 10.036 17.593 ( 2.918 5.054 8.166) 10.036 19.127 ( -0.000 -0.000 -20.182) 20.182 19.964 ( -2.205 -3.819 -6.722) 8.039 19.964 ( 2.205 3.819 -6.722) 8.039 21.155 ( -0.036 -0.062 -1.800) 1.802 21.155 ( 0.036 0.062 -1.800) 1.802 22.427 ( -0.000 -0.000 2.679) 2.679 ======================= Grid point 375 (72/162) ======================= q-point: (-0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -11.538 16.470 7.411) 21.431 2.786 ( -6.407 21.376 8.555) 23.899 3.199 ( 2.530 3.096 -4.886) 6.314 3.651 ( 0.541 -3.970 4.068) 5.710 3.852 ( -8.830 -0.797 4.847) 10.104 5.594 ( -3.078 3.958 -0.107) 5.015 5.710 ( -27.064 17.817 6.515) 33.051 7.741 ( 0.349 -3.776 -5.986) 7.086 8.101 ( -6.232 5.927 -4.164) 9.556 9.314 ( 8.986 -3.132 3.863) 10.271 9.853 ( 4.174 -19.629 -2.485) 20.221 10.215 ( 10.783 -10.254 -5.694) 15.932 10.904 ( 26.007 3.332 0.722) 26.230 11.921 ( -14.659 -11.314 1.981) 18.623 12.513 ( -3.167 17.948 5.012) 18.902 14.824 ( -1.650 -12.844 1.352) 13.020 15.246 ( 10.639 15.422 -1.341) 18.784 16.180 ( -18.141 6.728 -2.061) 19.458 17.033 ( -6.880 -7.256 -3.673) 10.653 17.936 ( -5.068 4.811 -2.115) 7.300 18.170 ( -5.284 15.250 -6.315) 17.331 18.252 ( 0.685 -1.066 -1.688) 2.111 20.063 ( 11.469 -2.874 -3.254) 12.264 20.426 ( -0.146 -3.354 -15.440) 15.800 21.309 ( 0.963 0.844 -1.748) 2.167 21.513 ( 6.489 3.182 3.387) 7.981 21.927 ( -5.352 -9.548 6.995) 12.990 ======================= Grid point 376 (73/162) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -11.497 19.913 8.494) 24.513 2.839 ( -6.584 11.404 11.036) 17.181 3.325 ( -7.701 13.339 -6.393) 16.677 3.545 ( -2.834 4.909 7.873) 9.701 3.784 ( 3.391 -5.873 -0.474) 6.798 5.506 ( -20.472 35.458 8.416) 41.799 5.641 ( 4.123 -7.141 -1.202) 8.333 7.727 ( 2.867 -4.966 -6.490) 8.661 8.072 ( -3.898 6.751 -3.644) 8.605 9.390 ( 2.970 -5.144 3.523) 6.906 9.774 ( 8.893 -15.403 -1.860) 17.883 10.261 ( 8.014 -13.880 -6.499) 17.295 11.256 ( 4.744 -8.216 3.132) 9.991 11.628 ( 0.883 -1.529 -0.534) 1.845 12.577 ( -8.438 14.616 5.001) 17.602 14.741 ( 4.642 -8.040 1.251) 9.368 15.479 ( -2.641 4.574 -0.724) 5.331 15.991 ( -9.138 15.827 -3.311) 18.573 16.936 ( 2.370 -4.106 -3.755) 6.048 17.916 ( -5.168 8.952 -3.933) 11.060 18.206 ( -9.412 16.302 -8.043) 20.470 18.246 ( 2.054 -3.557 0.743) 4.174 20.170 ( 0.301 -0.521 -2.749) 2.814 20.393 ( 5.967 -10.335 -17.098) 20.851 21.321 ( -0.178 0.309 -1.526) 1.567 21.625 ( 1.292 -2.238 3.659) 4.479 21.791 ( 1.908 -3.304 8.336) 9.168 ======================= Grid point 388 (74/162) ======================= q-point: (-0.33 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -6.453 13.725 -0.784) 15.187 3.013 ( -1.994 8.157 1.829) 8.594 3.218 ( 4.783 12.372 0.098) 13.265 3.565 ( 1.593 -1.919 1.481) 2.901 4.102 ( -15.149 6.097 10.432) 19.377 5.354 ( 13.625 -10.933 2.042) 17.588 6.616 ( -40.997 20.680 2.371) 45.979 7.710 ( -3.275 -7.366 -5.216) 9.602 8.249 ( -4.329 2.159 -2.385) 5.393 9.180 ( 7.071 3.970 3.620) 8.881 9.535 ( 8.283 -18.385 -3.544) 20.474 9.942 ( 9.272 -11.083 -5.670) 15.523 10.511 ( 24.742 7.203 1.361) 25.805 12.042 ( -12.927 -12.270 3.521) 18.168 12.707 ( 0.488 16.410 6.489) 17.653 14.726 ( -2.336 -13.155 1.072) 13.404 15.226 ( 9.567 15.470 -1.587) 18.259 16.496 ( -11.705 4.353 -0.452) 12.496 17.148 ( -14.922 -8.264 -2.465) 17.235 17.928 ( 3.529 -3.342 11.691) 12.661 18.125 ( 5.040 -5.310 1.684) 7.512 18.498 ( -5.400 21.393 -9.165) 23.892 19.800 ( 13.385 -3.651 -8.637) 16.343 20.473 ( -5.050 -1.025 -16.689) 17.466 21.301 ( 1.393 1.635 -1.730) 2.758 21.453 ( 4.153 3.094 1.964) 5.539 21.923 ( -4.697 -8.671 5.746) 11.413 ======================= Grid point 389 (75/162) ======================= q-point: (-0.25 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -7.354 18.441 -0.652) 19.864 2.951 ( -5.334 0.541 3.949) 6.659 3.493 ( 5.755 7.874 4.202) 10.619 3.633 ( 3.330 13.631 -0.409) 14.037 3.894 ( -17.481 6.341 7.251) 19.960 5.452 ( 8.797 -9.388 -0.432) 12.873 6.230 ( -27.889 25.401 4.705) 38.015 7.610 ( 1.857 -9.038 -5.822) 10.910 8.198 ( -3.711 3.007 -1.386) 4.973 9.330 ( 6.206 2.616 2.511) 7.187 9.461 ( 3.996 -16.557 -2.897) 17.277 9.988 ( 8.369 -11.415 -6.489) 15.571 10.993 ( 21.477 4.063 3.233) 22.096 11.675 ( -12.506 -13.036 1.540) 18.130 12.827 ( -4.254 13.664 6.681) 15.793 14.599 ( 1.608 -9.878 0.711) 10.033 15.523 ( 5.829 11.938 -0.831) 13.311 16.322 ( -13.654 8.050 -2.576) 16.058 16.901 ( -4.275 -5.614 -1.397) 7.193 17.952 ( 2.476 -2.784 12.301) 12.853 18.146 ( 3.985 -5.966 1.465) 7.322 18.561 ( -10.413 20.176 -10.135) 24.864 20.042 ( 14.575 0.734 -8.683) 16.981 20.319 ( -7.042 -7.900 -18.130) 20.993 21.329 ( 0.176 1.234 -1.255) 1.769 21.553 ( 4.598 0.477 3.058) 5.543 21.776 ( -3.452 -5.160 5.890) 8.558 ======================= Grid point 401 (76/162) ======================= q-point: (-0.42 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -3.116 8.537 -8.110) 12.181 3.017 ( 4.501 0.854 2.439) 5.190 3.256 ( 9.441 18.580 3.475) 21.129 3.569 ( -1.864 -0.801 0.235) 2.043 4.484 ( -19.248 10.066 7.972) 23.138 4.954 ( 18.343 -12.490 7.606) 23.459 7.419 ( -32.601 6.609 -2.542) 33.361 7.704 ( -6.072 -10.194 -4.365) 12.643 8.184 ( 7.585 -10.754 0.327) 13.163 9.151 ( -0.668 1.215 -2.292) 2.679 9.312 ( 8.684 4.502 2.955) 10.218 9.700 ( 7.144 -5.146 -6.022) 10.667 10.250 ( 13.400 8.521 0.909) 15.906 12.113 ( -10.195 -13.823 4.359) 17.721 12.813 ( 4.926 14.072 7.067) 16.499 14.659 ( -4.483 -11.613 0.566) 12.461 15.220 ( 8.953 15.294 -1.654) 17.798 16.660 ( -4.881 -0.000 1.915) 5.243 17.320 ( -15.142 -13.871 -3.136) 20.773 17.852 ( 1.047 -0.365 14.542) 14.584 17.972 ( 5.262 -4.917 3.904) 8.192 18.750 ( 3.896 23.369 -8.377) 25.129 19.579 ( 5.995 -4.419 -10.341) 12.743 20.534 ( -3.400 -2.294 -17.029) 17.516 21.294 ( 1.548 2.292 -1.624) 3.207 21.428 ( 2.513 3.182 1.239) 4.240 21.919 ( -4.455 -7.984 5.044) 10.442 ======================= Grid point 402 (77/162) ======================= q-point: (-0.33 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -1.358 8.454 -3.366) 9.201 3.050 ( -1.469 0.260 -2.073) 2.554 3.506 ( -1.601 4.824 3.352) 6.088 3.684 ( 8.837 19.481 3.959) 21.755 4.301 ( -15.937 14.285 7.337) 22.625 5.149 ( 15.582 -9.180 2.809) 18.302 6.930 ( -31.483 11.368 0.600) 33.478 7.508 ( -2.633 -12.080 -5.255) 13.434 8.167 ( 4.747 -11.964 1.234) 12.930 9.140 ( 3.393 -6.764 -6.323) 9.861 9.451 ( 1.488 5.657 2.663) 6.427 9.803 ( 4.709 1.733 -4.674) 6.858 10.650 ( 22.938 6.091 2.765) 23.894 11.756 ( -13.280 -16.482 3.215) 21.409 12.987 ( 0.274 11.706 7.471) 13.889 14.497 ( -1.282 -9.804 -0.083) 9.888 15.533 ( 8.230 14.854 -0.874) 17.005 16.565 ( -7.638 2.815 -0.103) 8.141 16.968 ( -10.926 -9.033 -0.875) 14.204 17.859 ( 2.347 -3.586 16.154) 16.713 18.001 ( 4.875 -6.850 3.688) 9.181 18.939 ( -8.215 22.644 -10.204) 26.160 19.761 ( 17.245 -0.498 -11.073) 20.500 20.380 ( -8.189 -8.462 -16.999) 20.679 21.338 ( 0.783 2.165 -0.869) 2.461 21.495 ( 2.802 0.876 1.927) 3.511 21.786 ( -3.290 -4.869 4.419) 7.353 ======================= Grid point 403 (78/162) ======================= q-point: (-0.25 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -0.951 1.647 2.783) 3.371 3.009 ( -4.528 7.842 -8.969) 12.745 3.508 ( -1.061 1.838 3.270) 3.898 3.899 ( -5.415 9.379 12.345) 16.422 4.228 ( -12.710 22.015 0.831) 25.434 5.250 ( 6.326 -10.957 0.294) 12.656 6.690 ( -12.596 21.816 2.479) 25.313 7.418 ( 5.305 -9.189 -5.570) 11.984 8.144 ( 6.218 -10.769 1.589) 12.537 9.136 ( 4.459 -7.723 -7.195) 11.458 9.491 ( -1.347 2.333 1.943) 3.322 9.855 ( -1.616 2.800 -3.850) 5.027 10.985 ( 4.266 -7.389 4.559) 9.674 11.459 ( 3.843 -6.656 1.360) 7.805 13.048 ( -5.003 8.666 7.603) 12.567 14.435 ( 3.783 -6.552 -0.217) 7.569 15.704 ( -3.690 6.392 -0.503) 7.398 16.493 ( -4.901 8.489 -2.061) 10.016 16.823 ( 1.249 -2.163 1.100) 2.730 17.862 ( 2.930 -5.075 17.177) 18.149 18.008 ( 4.354 -7.541 3.149) 9.260 18.970 ( -12.105 20.967 -10.954) 26.573 20.044 ( 3.427 -5.936 -5.600) 8.851 20.141 ( 3.011 -5.215 -22.570) 23.359 21.357 ( -0.884 1.531 -0.546) 1.850 21.528 ( 1.378 -2.387 2.796) 3.927 21.728 ( 0.216 -0.374 3.439) 3.467 ======================= Grid point 413 (79/162) ======================= q-point: (-0.42 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 2.138 3.704 -10.731) 11.552 3.010 ( 0.218 0.377 5.131) 5.149 3.562 ( 0.084 0.146 -1.132) 1.145 3.712 ( 13.736 23.791 6.677) 28.272 4.651 ( -0.481 -0.833 1.567) 1.838 4.822 ( 3.711 6.428 10.136) 12.563 7.383 ( -6.310 -10.929 -7.091) 14.476 7.460 ( -6.921 -11.987 -0.195) 13.843 7.937 ( -6.385 -11.059 2.760) 13.065 9.111 ( -0.208 -0.360 -6.403) 6.416 9.430 ( -0.280 -0.484 -1.366) 1.476 9.833 ( 9.984 17.294 -0.089) 19.969 10.440 ( 6.533 11.316 2.330) 13.273 11.790 ( -10.738 -18.598 3.759) 21.802 13.044 ( 5.210 9.024 7.695) 12.953 14.458 ( -4.733 -8.198 -0.448) 9.477 15.536 ( 8.971 15.538 -0.881) 17.964 16.642 ( -0.873 -1.512 1.765) 2.483 17.031 ( -8.028 -13.905 -0.993) 16.087 17.840 ( -1.003 -1.737 15.216) 15.348 17.893 ( -1.420 -2.460 5.247) 5.967 19.195 ( 11.163 19.335 -9.701) 24.343 19.538 ( 1.100 1.905 -11.546) 11.754 20.411 ( -5.863 -10.155 -16.708) 20.412 21.343 ( 1.443 2.499 -0.660) 2.960 21.475 ( 0.817 1.415 1.464) 2.194 21.790 ( -2.766 -4.792 3.904) 6.771 ======================= Grid point 415 (80/162) ======================= q-point: (-0.33 0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -1.648 2.438 0.789) 3.047 3.051 ( 1.802 -0.551 -6.106) 6.390 3.564 ( -1.164 2.131 -1.349) 2.778 4.091 ( 2.365 19.721 11.533) 22.968 4.554 ( -7.794 5.110 3.679) 10.020 5.046 ( 9.670 1.210 0.884) 9.785 7.105 ( -16.581 7.089 -1.655) 18.108 7.290 ( -1.522 -7.634 -3.452) 8.515 7.800 ( 9.270 -22.324 2.536) 24.305 9.123 ( -1.565 4.151 -6.799) 8.118 9.402 ( 3.072 -7.306 -4.096) 8.922 10.109 ( -4.910 23.240 2.049) 23.841 10.718 ( 17.275 -0.521 3.650) 17.664 11.413 ( -9.612 -16.641 2.611) 19.394 13.165 ( 0.070 6.120 7.983) 10.059 14.346 ( -0.331 -5.304 -0.883) 5.387 15.783 ( 3.371 9.563 -0.436) 10.149 16.619 ( -2.210 2.994 0.561) 3.763 16.810 ( -4.300 -6.836 1.333) 8.185 17.798 ( -0.471 -2.147 14.811) 14.973 17.871 ( 2.906 -5.816 6.362) 9.097 19.379 ( -10.611 21.578 -11.285) 26.563 19.766 ( 20.506 0.563 -11.000) 23.277 20.146 ( -9.784 -14.846 -16.053) 23.955 21.385 ( 0.213 2.569 0.183) 2.585 21.484 ( 0.785 -1.790 2.030) 2.818 21.731 ( -0.911 -1.055 2.093) 2.514 ======================= Grid point 428 (81/162) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -0.749 -1.298 -2.014) 2.510 3.028 ( 0.749 1.298 -2.014) 2.510 3.586 ( 0.000 0.000 -2.370) 2.370 4.433 ( -6.915 -11.977 8.938) 16.467 4.433 ( 6.915 11.977 8.938) 16.467 5.115 ( 0.000 0.000 -3.227) 3.227 7.137 ( 0.000 0.000 -8.213) 8.213 7.397 ( -8.096 -14.024 2.968) 16.463 7.397 ( 8.096 14.024 2.968) 16.463 9.248 ( -3.815 -6.608 -5.830) 9.603 9.248 ( 3.815 6.608 -5.830) 9.603 10.547 ( -8.852 -15.333 3.491) 18.046 10.547 ( 8.852 15.333 3.491) 18.046 11.218 ( 0.000 0.000 2.278) 2.278 13.226 ( 0.000 0.000 8.136) 8.136 14.292 ( 0.000 0.000 -1.182) 1.182 15.882 ( 0.000 0.000 -0.256) 0.256 16.695 ( -2.425 -4.200 1.556) 5.093 16.695 ( 2.425 4.200 1.556) 5.093 17.792 ( -0.916 -1.587 10.555) 10.713 17.792 ( 0.916 1.587 10.555) 10.713 19.750 ( -4.466 -7.736 -9.638) 13.141 19.750 ( 4.466 7.736 -9.638) 13.141 19.863 ( -0.000 -0.000 -18.607) 18.607 21.438 ( -1.321 -2.287 1.297) 2.942 21.438 ( 1.321 2.287 1.297) 2.942 21.724 ( 0.000 0.000 1.161) 1.161 ======================= Grid point 471 (82/162) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 0.000 23.148) 23.148 1.576 ( 0.000 0.000 23.148) 23.148 2.979 ( 0.000 -0.000 39.368) 39.368 3.545 ( 0.000 -0.000 -12.966) 12.966 3.545 ( 0.000 0.000 -12.966) 12.966 5.274 ( -0.000 -0.000 -5.442) 5.442 5.819 ( 0.000 0.000 2.297) 2.297 7.567 ( 0.000 0.000 -7.521) 7.521 7.567 ( 0.000 0.000 -7.521) 7.521 10.021 ( 0.000 -0.000 0.816) 0.816 10.337 ( 0.000 -0.000 3.861) 3.861 10.337 ( 0.000 0.000 3.861) 3.861 11.053 ( 0.000 0.000 -4.716) 4.716 11.829 ( 0.000 -0.000 -0.022) 0.022 11.829 ( 0.000 0.000 -0.022) 0.022 14.945 ( 0.000 0.000 -2.876) 2.876 14.945 ( -0.000 -0.000 -2.876) 2.876 15.471 ( -0.000 -0.000 1.590) 1.590 15.471 ( 0.000 0.000 1.590) 1.590 17.151 ( -0.000 -0.000 -9.499) 9.499 17.151 ( 0.000 0.000 -9.499) 9.499 18.287 ( 0.000 0.000 3.401) 3.401 20.055 ( 0.000 -0.000 -2.077) 2.077 21.270 ( 0.000 -0.000 -1.781) 1.781 21.690 ( 0.000 -0.000 3.254) 3.254 21.690 ( 0.000 -0.000 3.254) 3.254 22.286 ( -0.000 0.000 2.429) 2.429 ======================= Grid point 472 (83/162) ======================= q-point: ( 0.08 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 16.521 -4.117 19.355) 25.778 1.984 ( 17.822 18.110 22.402) 33.874 3.094 ( 10.375 9.585 31.961) 34.943 3.373 ( -9.740 2.619 -12.491) 16.054 3.769 ( 13.535 -0.407 -12.073) 18.142 5.009 ( -18.083 -9.688 2.216) 20.634 5.822 ( -0.168 0.619 1.684) 1.802 7.551 ( 2.675 -2.915 -7.203) 8.218 7.646 ( 3.113 3.451 -8.150) 9.382 9.945 ( -6.519 -3.205 1.452) 7.408 10.320 ( -4.473 5.680 3.614) 8.083 10.550 ( 10.335 0.671 -3.369) 10.891 11.138 ( 10.878 3.350 -3.740) 11.981 11.768 ( -2.855 -3.882 0.024) 4.819 11.867 ( 1.988 3.787 0.031) 4.278 14.913 ( 4.064 -8.143 -2.448) 9.424 15.069 ( 4.128 7.617 -3.633) 9.394 15.485 ( -1.946 12.298 1.292) 12.518 15.821 ( 31.541 9.991 -5.415) 33.526 17.102 ( -5.073 2.899 -8.497) 10.311 17.232 ( 8.220 -1.153 -9.936) 12.947 18.305 ( 1.177 0.849 2.939) 3.278 20.069 ( 1.129 0.597 -2.053) 2.418 21.251 ( -2.424 -1.033 -1.315) 2.945 21.498 ( -16.127 -3.872 3.794) 17.013 21.682 ( 1.806 -8.721 3.082) 9.425 22.269 ( -2.958 2.380 3.225) 4.981 ======================= Grid point 473 (84/162) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 20.875 1.963 11.620) 23.972 2.339 ( 12.597 1.452 23.120) 26.369 3.252 ( -8.586 6.475 -11.793) 15.960 3.546 ( 16.915 22.424 18.788) 33.793 3.933 ( 4.668 -3.766 -11.335) 12.824 4.766 ( 5.397 -0.828 11.659) 12.874 5.817 ( -1.829 1.314 0.354) 2.279 7.588 ( 4.136 -1.980 -6.418) 7.888 7.732 ( 3.893 2.479 -7.980) 9.218 9.752 ( -10.575 -5.129 2.479) 12.011 10.286 ( -6.149 5.363 2.764) 8.615 10.508 ( -8.107 -6.585 -6.061) 12.075 11.239 ( -5.907 -8.802 -2.619) 10.919 11.859 ( 18.304 0.795 0.320) 18.324 11.969 ( 2.512 9.213 0.385) 9.557 14.909 ( 5.482 -9.207 -2.299) 10.959 15.165 ( -2.458 7.188 0.109) 7.597 15.662 ( 9.313 11.116 -1.097) 14.543 16.633 ( 39.466 21.101 -16.466) 47.686 17.055 ( -3.801 5.131 -6.848) 9.363 17.409 ( 12.897 -0.287 -10.028) 16.339 18.328 ( 0.302 0.567 2.118) 2.213 20.100 ( 1.467 0.682 -2.116) 2.663 20.979 ( -23.723 -10.889 4.970) 26.572 21.285 ( -2.212 -2.090 -1.874) 3.574 21.605 ( 0.259 -9.625 3.636) 10.292 22.241 ( -4.797 5.450 3.240) 7.950 ======================= Grid point 474 (85/162) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 10.312 3.229 3.692) 11.419 2.566 ( 18.049 -4.480 15.754) 24.373 3.209 ( -4.304 7.662 -3.875) 9.604 3.789 ( -6.233 -2.059 -1.520) 6.738 3.980 ( 6.557 11.799 6.597) 15.025 5.278 ( 36.944 16.928 10.180) 41.893 5.776 ( -4.017 1.514 -0.118) 4.295 7.642 ( 2.363 1.270 -5.169) 5.824 7.847 ( 7.583 1.503 -7.441) 10.730 9.508 ( -10.936 -5.694 3.816) 12.907 10.168 ( -15.657 0.853 -2.486) 15.877 10.269 ( -7.640 -4.979 -2.277) 9.399 10.886 ( -17.007 -16.428 -2.292) 23.757 12.104 ( 9.290 0.104 1.672) 9.439 12.225 ( 14.033 8.390 2.855) 16.597 14.916 ( 6.574 -10.644 -1.595) 12.612 15.134 ( -9.460 8.378 1.649) 12.744 15.992 ( 15.871 9.769 -1.935) 18.737 17.065 ( -0.224 9.647 -5.347) 11.032 17.472 ( 30.720 17.451 -13.864) 37.954 17.653 ( 15.510 -0.263 -9.959) 18.434 18.313 ( -2.102 -0.854 1.777) 2.882 20.117 ( -1.006 -0.523 -1.659) 2.010 20.430 ( -23.216 -12.380 1.605) 26.360 21.248 ( -0.562 -1.954 -2.616) 3.314 21.515 ( -0.179 -8.239 3.837) 9.091 22.210 ( -5.551 6.163 2.333) 8.616 ======================= Grid point 475 (86/162) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 5.989 -0.890 -4.662) 7.642 2.823 ( 14.580 -3.410 9.538) 17.753 3.242 ( -1.599 6.892 1.718) 7.280 3.656 ( -5.518 0.219 -0.522) 5.547 4.211 ( 9.404 8.239 8.504) 15.120 5.590 ( -9.641 -1.020 1.787) 9.858 6.249 ( 40.678 24.158 5.221) 47.598 7.696 ( 0.703 4.446 -4.361) 6.268 8.019 ( 10.622 0.837 -6.439) 12.450 9.284 ( -8.038 -6.131 5.009) 11.282 9.817 ( -19.473 -4.970 -5.083) 20.730 10.124 ( -12.064 3.980 -0.694) 12.722 10.397 ( -15.230 -23.071 -2.440) 27.752 12.260 ( 6.486 3.626 2.861) 7.962 12.496 ( 12.176 0.857 5.157) 13.250 14.911 ( 7.100 -15.393 0.458) 16.958 15.041 ( -12.094 12.613 -0.384) 17.478 16.357 ( 14.787 8.989 -1.345) 17.357 17.213 ( 3.991 13.613 -2.942) 14.488 17.909 ( 14.961 -1.588 -11.853) 19.153 18.009 ( 15.952 7.958 0.535) 17.835 18.241 ( -4.126 -2.361 2.498) 5.370 19.848 ( -19.633 -8.707 -1.026) 21.502 20.201 ( 0.289 -1.060 -8.662) 8.731 21.221 ( -0.053 -2.435 -2.817) 3.724 21.444 ( 0.526 -6.330 3.579) 7.291 22.175 ( -5.595 6.217 1.427) 8.485 ======================= Grid point 476 (87/162) ======================= q-point: ( 0.42 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 4.564 -3.460 -10.550) 12.005 2.993 ( 9.259 -2.218 7.997) 12.434 3.235 ( -4.218 1.006 3.574) 5.620 3.626 ( -1.058 3.547 0.851) 3.798 4.482 ( 11.540 9.167 5.845) 15.855 5.353 ( -13.965 -2.940 6.523) 15.691 7.154 ( 34.488 24.020 1.012) 42.040 7.749 ( -0.560 5.656 -4.114) 7.017 8.172 ( 4.701 -2.207 -5.194) 7.344 9.120 ( -2.194 -7.521 4.902) 9.242 9.460 ( -16.147 -3.887 -1.885) 16.715 9.823 ( -21.533 -1.270 -3.535) 21.858 10.079 ( -0.331 -13.500 -1.801) 13.623 12.383 ( 3.215 3.732 3.901) 6.284 12.659 ( 8.595 -3.828 6.081) 11.203 14.846 ( 2.121 -11.302 1.956) 11.665 15.001 ( -5.886 9.372 -2.479) 11.342 16.644 ( 8.704 7.000 -0.078) 11.170 17.443 ( 4.064 16.183 -3.190) 16.987 18.061 ( 1.925 -2.873 -4.766) 5.888 18.167 ( 1.273 -2.819 4.309) 5.305 18.206 ( 7.895 -5.607 7.908) 12.502 19.514 ( -12.227 -1.592 -8.710) 15.097 20.215 ( 1.526 -0.673 -12.298) 12.410 21.200 ( 0.624 -2.686 -2.869) 3.979 21.407 ( 1.469 -4.762 3.212) 5.929 22.146 ( -5.000 6.444 0.853) 8.201 ======================= Grid point 477 (88/162) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 2.980 -5.162 -12.224) 13.600 3.094 ( 1.536 -2.660 6.596) 7.276 3.163 ( 0.312 -0.540 5.434) 5.470 3.642 ( -1.827 3.165 0.920) 3.768 4.682 ( -1.386 2.401 -0.369) 2.796 5.164 ( -2.233 3.867 13.420) 14.144 7.702 ( -4.612 7.989 -2.705) 9.613 7.795 ( -2.033 3.521 -3.894) 5.629 8.083 ( 2.230 -3.862 -3.201) 5.490 9.124 ( 6.998 -12.121 5.853) 15.171 9.222 ( -2.695 4.667 -0.093) 5.390 9.611 ( -4.335 7.509 -5.422) 10.226 10.012 ( 3.389 -5.870 -1.881) 7.034 12.431 ( -1.128 1.954 4.312) 4.867 12.714 ( 4.204 -7.282 6.289) 10.500 14.804 ( 3.752 -6.499 1.698) 7.694 15.000 ( -3.878 6.717 -2.521) 8.156 16.760 ( -1.228 2.128 0.663) 2.545 17.584 ( -7.417 12.846 -5.897) 15.963 18.032 ( 0.136 -0.235 2.101) 2.119 18.142 ( 2.431 -4.211 17.923) 18.571 18.262 ( 7.713 -13.360 -4.531) 16.078 19.403 ( -3.321 5.752 -10.769) 12.653 20.227 ( 0.735 -1.274 -14.087) 14.164 21.191 ( 1.420 -2.459 -2.874) 4.040 21.397 ( 2.278 -3.946 3.060) 5.488 22.134 ( -4.015 6.955 0.663) 8.058 ======================= Grid point 485 (89/162) ======================= q-point: ( 0.08 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 9.459 16.384 14.169) 23.636 2.252 ( 4.031 6.982 24.893) 26.166 3.411 ( -0.239 -0.415 -11.055) 11.065 3.523 ( 17.759 30.759 15.132) 38.606 3.781 ( 1.423 2.464 -7.038) 7.591 4.761 ( -5.661 -9.805 9.337) 14.676 5.839 ( 0.449 0.778 0.321) 0.954 7.527 ( 0.645 1.117 -5.901) 6.040 7.715 ( 1.913 3.313 -8.122) 8.978 9.824 ( -5.028 -8.709 1.872) 10.229 10.369 ( -1.084 -1.878 2.046) 2.982 10.540 ( -2.566 -4.444 -5.760) 7.714 11.284 ( 4.927 8.534 -2.557) 10.180 11.618 ( -5.129 -8.884 0.472) 10.269 12.029 ( 6.791 11.763 0.087) 13.583 14.789 ( -2.446 -4.236 -0.408) 4.909 15.272 ( 7.127 12.344 -3.014) 14.569 15.614 ( 1.270 2.200 0.398) 2.571 16.380 ( 23.829 41.274 -15.477) 50.109 17.155 ( -0.309 -0.535 -8.980) 9.001 17.257 ( 4.054 7.021 -8.028) 11.409 18.327 ( 0.602 1.043 2.182) 2.492 20.089 ( 0.736 1.275 -2.087) 2.554 21.141 ( -9.762 -16.908 4.331) 19.998 21.309 ( -4.605 -7.977 -0.398) 9.219 21.528 ( -2.859 -4.952 4.284) 7.145 22.315 ( 0.922 1.597 1.920) 2.662 ======================= Grid point 486 (90/162) ======================= q-point: ( 0.17 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 13.881 16.837 7.289) 23.007 2.341 ( 5.899 0.130 17.343) 18.319 3.369 ( -5.195 4.459 -6.000) 9.103 3.811 ( 0.948 -0.641 -1.712) 2.059 4.002 ( 5.294 10.743 4.081) 12.653 4.927 ( 23.926 21.850 14.430) 35.470 5.837 ( -1.701 0.256 -1.109) 2.047 7.594 ( 4.299 3.014 -4.654) 7.016 7.776 ( 2.608 1.546 -7.934) 8.493 9.618 ( -8.687 -8.121 2.759) 12.208 10.280 ( -3.655 -8.198 0.026) 8.976 10.355 ( -9.990 -8.010 -5.845) 14.076 11.174 ( -22.421 2.805 -0.811) 22.610 11.655 ( 20.765 -14.917 1.107) 25.592 12.286 ( 5.931 15.996 2.182) 17.199 14.730 ( 1.868 -7.756 0.330) 7.984 15.433 ( -8.724 17.003 -0.897) 19.131 15.761 ( 17.263 1.322 -1.218) 17.356 17.144 ( -0.441 4.152 -7.182) 8.308 17.223 ( 26.596 33.113 -17.778) 46.042 17.457 ( 10.157 6.439 -7.860) 14.367 18.330 ( -0.861 -0.786 1.583) 1.966 20.111 ( 0.674 0.263 -2.371) 2.479 20.647 ( -19.837 -21.303 5.910) 29.703 21.242 ( -1.040 -2.072 -2.521) 3.425 21.442 ( -0.842 -6.562 4.388) 7.939 22.327 ( -2.094 2.956 0.793) 3.708 ======================= Grid point 487 (91/162) ======================= q-point: ( 0.25 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 2.307 3.425 1.226) 4.308 2.615 ( 13.785 9.662 7.838) 18.569 3.361 ( -2.913 7.930 1.028) 8.511 3.759 ( -5.405 0.666 -0.592) 5.478 4.137 ( 6.785 4.499 6.577) 10.465 5.684 ( 9.119 12.991 4.478) 16.492 5.858 ( 22.523 15.922 3.704) 27.830 7.704 ( 2.888 4.802 -4.057) 6.918 7.859 ( 7.467 -0.309 -6.928) 10.191 9.386 ( -9.586 -6.586 3.736) 12.216 10.006 ( -13.105 -13.871 -5.136) 19.762 10.154 ( -4.389 -10.414 -2.583) 11.592 10.751 ( -28.616 3.354 -0.006) 28.812 11.871 ( 21.437 -16.179 2.402) 26.965 12.521 ( 3.637 14.373 4.874) 15.606 14.686 ( 3.429 -10.768 0.662) 11.320 15.386 ( -12.400 13.886 -0.409) 18.621 16.141 ( 19.599 7.225 -1.727) 20.960 17.219 ( 4.856 4.618 -3.951) 7.779 17.703 ( 11.343 5.592 -5.684) 13.865 17.883 ( 15.985 22.348 -11.440) 29.763 18.276 ( -3.125 -3.118 1.812) 4.772 20.057 ( -12.513 -8.028 1.237) 14.918 20.182 ( -5.373 -9.159 -4.432) 11.507 21.206 ( -0.808 -2.088 -2.585) 3.420 21.373 ( 0.220 -6.022 4.151) 7.317 22.309 ( -3.687 3.802 -0.175) 5.299 ======================= Grid point 488 (92/162) ======================= q-point: ( 0.33 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 1.991 1.533 -6.114) 6.610 2.869 ( 7.496 5.571 6.471) 11.362 3.383 ( -6.079 9.208 4.117) 11.777 3.699 ( -3.592 4.324 0.027) 5.621 4.369 ( 12.557 8.341 6.716) 16.503 5.556 ( -12.243 -2.519 2.326) 12.714 6.749 ( 38.688 25.046 3.540) 46.224 7.772 ( 1.544 2.025 -5.074) 5.677 8.020 ( 9.707 -0.120 -4.451) 10.679 9.163 ( -9.125 -6.311 3.704) 11.696 9.624 ( -13.461 -16.283 -3.943) 21.492 9.964 ( -5.321 -10.298 -3.881) 12.224 10.320 ( -26.422 8.368 0.647) 27.723 12.054 ( 18.872 -17.376 3.345) 25.871 12.689 ( 0.762 11.734 6.571) 13.470 14.632 ( 3.913 -12.489 0.582) 13.100 15.317 ( -11.644 14.483 -0.877) 18.604 16.522 ( 14.621 8.430 -1.256) 16.924 17.395 ( 10.466 3.399 -2.158) 11.213 17.931 ( 9.483 3.160 -3.771) 10.683 18.154 ( -3.055 -0.488 4.324) 5.316 18.201 ( -0.489 6.026 0.210) 6.050 19.705 ( -13.224 -5.024 -5.832) 15.301 20.151 ( 2.609 -4.056 -9.076) 10.278 21.174 ( -0.412 -2.112 -2.461) 3.269 21.333 ( 1.374 -4.962 3.680) 6.329 22.282 ( -4.112 4.587 -0.855) 6.219 ======================= Grid point 489 (93/162) ======================= q-point: ( 0.42 0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.489 0.530 -8.977) 9.006 3.003 ( 5.241 -0.860 6.319) 8.254 3.337 ( -10.640 13.354 5.197) 17.848 3.706 ( -1.613 4.168 -0.067) 4.470 4.677 ( 9.323 9.855 2.400) 13.777 5.303 ( -11.804 -2.126 7.983) 14.408 7.564 ( 29.731 15.793 -0.836) 33.676 7.804 ( 1.274 -0.620 -5.400) 5.583 8.075 ( -3.461 -7.228 -2.977) 8.549 8.982 ( -2.352 -5.669 3.206) 6.924 9.270 ( -7.147 -13.987 -1.452) 15.774 9.815 ( -8.105 5.889 -3.377) 10.573 10.064 ( -11.383 6.342 -0.108) 13.030 12.161 ( 14.649 -19.634 3.826) 24.793 12.776 ( -2.730 9.225 7.292) 12.071 14.586 ( 5.332 -12.043 0.290) 13.174 15.280 ( -10.036 15.553 -1.132) 18.544 16.768 ( 4.869 5.565 -0.392) 7.405 17.599 ( 10.174 -2.377 -5.270) 11.702 18.047 ( 2.394 -2.872 9.510) 10.218 18.078 ( 1.753 -5.292 9.286) 10.831 18.185 ( -8.517 9.313 -4.295) 13.331 19.536 ( -6.243 3.199 -10.170) 12.355 20.159 ( 3.198 -4.798 -12.191) 13.486 21.154 ( 0.417 -1.805 -2.378) 3.014 21.318 ( 2.092 -4.264 3.370) 5.824 22.263 ( -3.680 5.346 -1.187) 6.598 ======================= Grid point 498 (94/162) ======================= q-point: ( 0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 1.225 2.122 6.281) 6.742 2.541 ( 10.930 18.932 4.448) 22.309 3.441 ( 2.213 3.833 -0.010) 4.426 3.820 ( 1.413 2.447 0.536) 2.876 4.089 ( 0.793 1.373 4.610) 4.876 5.588 ( 23.313 40.379 11.265) 47.967 5.812 ( -1.756 -3.042 -1.920) 4.003 7.704 ( 4.439 7.688 -2.958) 9.358 7.787 ( -0.139 -0.241 -7.974) 7.979 9.441 ( -5.520 -9.561 3.137) 11.477 10.026 ( -9.673 -16.754 -2.473) 19.503 10.159 ( -6.184 -10.710 -5.818) 13.667 11.292 ( -3.571 -6.186 3.092) 7.784 11.329 ( -2.251 -3.899 -0.294) 4.512 12.564 ( 6.981 12.092 4.843) 14.779 14.600 ( -3.262 -5.650 0.841) 6.578 15.650 ( 0.409 0.709 -0.131) 0.829 15.919 ( 10.923 18.919 -2.263) 21.963 17.193 ( 1.456 2.522 -4.894) 5.695 17.631 ( 6.322 10.950 -2.571) 12.903 17.867 ( 16.169 28.005 -15.799) 35.991 18.287 ( -2.122 -3.675 1.627) 4.544 20.103 ( -0.736 -1.274 -3.233) 3.552 20.207 ( -12.455 -21.572 2.299) 25.016 21.204 ( -1.032 -1.787 -2.458) 3.210 21.337 ( -2.431 -4.211 4.288) 6.483 22.361 ( 0.433 0.750 -0.803) 1.181 ======================= Grid point 499 (95/162) ======================= q-point: ( 0.25 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 1.635 3.209 -1.438) 3.878 2.827 ( 5.711 8.014 3.312) 10.383 3.542 ( 1.091 10.289 2.970) 10.764 3.870 ( -6.109 12.004 1.420) 13.544 4.199 ( 12.932 2.429 6.075) 14.493 5.699 ( -7.332 -4.102 -0.810) 8.440 6.418 ( 29.974 31.672 6.557) 44.097 7.760 ( -0.450 -1.761 -7.305) 7.528 7.890 ( 7.610 5.643 -1.962) 9.675 9.245 ( -7.426 -7.702 2.735) 11.043 9.635 ( -12.207 -22.373 -4.273) 25.842 9.985 ( -4.238 -4.610 -4.470) 7.694 10.899 ( -29.932 9.144 1.870) 31.353 11.504 ( 22.433 -20.690 2.477) 30.618 12.765 ( 3.554 10.340 6.680) 12.812 14.499 ( -0.641 -8.210 0.465) 8.248 15.620 ( -7.455 8.921 -0.430) 11.634 16.338 ( 16.807 13.298 -2.205) 21.545 17.268 ( 5.201 1.353 -2.209) 5.810 17.836 ( 6.703 6.416 2.861) 9.710 18.183 ( -4.089 -5.796 2.905) 7.665 18.287 ( 6.016 16.806 -8.267) 19.672 19.843 ( -10.516 -9.708 -5.455) 15.316 20.072 ( 0.607 -4.758 -5.591) 7.367 21.170 ( -1.018 -1.498 -2.064) 2.746 21.274 ( -0.184 -4.040 3.834) 5.572 22.364 ( -1.432 1.944 -1.831) 3.030 ======================= Grid point 500 (96/162) ======================= q-point: ( 0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.328 3.805 -4.718) 6.070 2.918 ( 2.852 -1.783 4.122) 5.320 3.664 ( -2.129 15.555 3.077) 15.998 3.842 ( -10.790 13.142 1.369) 17.060 4.546 ( 17.526 9.226 4.957) 20.417 5.480 ( -11.996 -5.560 2.109) 13.389 7.198 ( 30.041 19.719 2.373) 36.013 7.737 ( 1.935 -5.121 -7.433) 9.232 8.035 ( 3.043 0.811 -0.026) 3.150 9.035 ( -8.330 -6.481 0.452) 10.564 9.225 ( -8.596 -20.219 -4.171) 22.362 9.950 ( -0.966 7.184 -2.165) 7.565 10.490 ( -26.617 8.041 1.780) 27.862 11.651 ( 19.460 -22.910 3.219) 30.231 12.889 ( 0.118 8.369 7.619) 11.319 14.421 ( 1.644 -8.823 -0.174) 8.977 15.589 ( -8.390 12.451 -0.575) 15.025 16.706 ( 11.050 10.310 -1.915) 15.234 17.385 ( 8.558 -2.997 -1.900) 9.265 17.954 ( 3.613 -1.563 12.369) 12.980 18.048 ( -3.331 -6.762 6.557) 9.991 18.434 ( -4.344 13.394 -7.914) 16.153 19.662 ( -5.964 0.407 -10.627) 12.193 20.044 ( 2.874 -6.573 -9.302) 11.747 21.142 ( -0.637 -1.051 -1.575) 1.998 21.247 ( 1.329 -3.732 3.260) 5.131 22.357 ( -2.159 2.994 -2.390) 4.398 ======================= Grid point 501 (97/162) ======================= q-point: ( 0.42 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -2.048 3.547 -5.448) 6.816 2.929 ( 3.115 -5.396 4.628) 7.761 3.757 ( -15.123 26.193 5.330) 30.712 3.781 ( -2.008 3.478 -1.240) 4.203 4.816 ( -1.234 2.137 1.998) 3.174 5.282 ( -0.391 0.677 5.681) 5.734 7.691 ( 2.686 -4.652 -0.413) 5.388 7.723 ( 3.853 -6.673 -7.944) 11.067 7.969 ( 0.285 -0.493 1.991) 2.070 8.916 ( 0.600 -1.039 -0.102) 1.204 9.030 ( 5.055 -8.755 -4.329) 10.998 10.043 ( -7.967 13.800 -0.805) 15.955 10.233 ( -6.821 11.814 1.579) 13.732 11.706 ( 14.859 -25.736 3.443) 29.917 12.932 ( -3.590 6.217 7.897) 10.672 14.390 ( 4.437 -7.686 -0.477) 8.888 15.579 ( -8.013 13.878 -0.614) 16.037 16.863 ( -2.334 4.043 -1.343) 4.858 17.455 ( 5.362 -9.288 -4.563) 11.655 17.957 ( 2.497 -4.324 18.211) 18.884 17.981 ( 2.561 -4.437 10.156) 11.375 18.458 ( -8.220 14.238 -11.117) 19.846 19.617 ( -2.635 4.564 -10.891) 12.099 20.038 ( 4.089 -7.082 -11.287) 13.938 21.131 ( 0.284 -0.492 -1.403) 1.514 21.241 ( 2.006 -3.475 3.049) 5.040 22.353 ( -2.060 3.567 -2.562) 4.851 ======================= Grid point 508 (98/162) ======================= q-point: (-0.08 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -8.952 15.504 16.515) 24.357 2.284 ( -13.420 23.244 17.385) 31.979 3.184 ( 4.504 -7.801 -10.651) 13.949 3.282 ( -8.701 15.070 24.831) 30.322 3.980 ( -2.497 4.326 -13.759) 14.638 4.795 ( 1.469 -2.544 10.132) 10.549 5.801 ( 0.985 -1.707 1.046) 2.231 7.625 ( -1.286 2.228 -7.570) 7.995 7.699 ( -2.669 4.623 -7.989) 9.608 9.807 ( 5.379 -9.317 2.354) 11.013 10.206 ( 3.143 -5.444 3.984) 7.442 10.577 ( 3.566 -6.176 -6.247) 9.480 11.415 ( -7.962 13.791 -3.979) 16.415 11.648 ( 4.900 -8.487 0.261) 9.804 11.991 ( -7.183 12.441 0.653) 14.381 14.964 ( 1.553 -2.690 -3.333) 4.556 15.256 ( -8.835 15.304 -4.675) 18.279 15.396 ( -0.300 0.519 3.470) 3.521 16.440 ( -22.066 38.220 -13.328) 46.102 16.996 ( 2.645 -4.582 -6.851) 8.656 17.419 ( -6.519 11.291 -10.944) 17.022 18.320 ( -0.406 0.704 2.466) 2.597 20.092 ( -0.835 1.447 -2.075) 2.664 21.079 ( 11.084 -19.197 3.563) 22.452 21.309 ( 2.018 -3.496 -1.074) 4.177 21.736 ( 0.281 -0.487 1.695) 1.786 22.162 ( 3.194 -5.531 5.746) 8.591 ======================= Grid point 512 (99/162) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 2.443 4.231 -2.483) 5.480 2.882 ( -0.817 -1.415 2.585) 3.058 3.725 ( 4.328 7.496 0.356) 8.663 4.245 ( 10.247 17.748 1.429) 20.543 4.246 ( 4.956 8.584 7.972) 12.720 5.562 ( -5.653 -9.792 -0.335) 11.312 7.022 ( 16.620 28.787 4.206) 33.505 7.687 ( -2.442 -4.230 -8.093) 9.453 8.011 ( 2.548 4.412 0.954) 5.184 9.083 ( -4.954 -8.580 0.310) 9.913 9.193 ( -11.808 -20.453 -5.700) 24.295 9.995 ( 3.360 5.820 -1.770) 6.950 11.052 ( -4.462 -7.728 3.579) 9.615 11.080 ( -4.724 -8.183 1.537) 9.573 12.931 ( 3.687 6.387 7.721) 10.677 14.362 ( -3.176 -5.501 -0.302) 6.360 15.741 ( 2.208 3.825 -0.303) 4.427 16.645 ( 9.520 16.489 -2.758) 19.238 17.293 ( 0.675 1.169 -0.503) 1.441 17.913 ( 0.557 0.966 13.016) 13.064 18.044 ( -4.407 -7.633 5.685) 10.488 18.544 ( 5.428 9.401 -9.127) 14.183 19.724 ( -1.513 -2.621 -12.025) 12.400 19.974 ( -2.745 -4.754 -6.826) 8.759 21.147 ( -0.533 -0.923 -1.234) 1.631 21.212 ( -1.280 -2.217 3.208) 4.105 22.391 ( 0.492 0.852 -2.807) 2.974 ======================= Grid point 513 (100/162) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -0.130 6.004 -2.130) 6.372 2.827 ( 0.668 -6.436 2.546) 6.954 3.827 ( 0.806 3.894 -1.806) 4.368 4.284 ( -13.416 25.645 6.000) 29.558 4.704 ( 18.337 5.605 4.056) 19.599 5.325 ( -8.365 -9.948 0.479) 13.006 7.522 ( 14.860 12.697 0.891) 19.566 7.625 ( 1.275 -4.028 -6.835) 8.036 7.987 ( -4.647 -6.783 3.087) 8.783 8.908 ( -2.612 -6.583 -5.349) 8.875 8.935 ( -3.167 -7.146 -3.380) 8.516 10.209 ( 6.682 18.323 0.666) 19.514 10.619 ( -26.857 4.620 2.392) 27.356 11.166 ( 17.828 -25.635 2.900) 31.359 13.016 ( 0.019 4.351 8.167) 9.254 14.287 ( 0.381 -4.650 -0.894) 4.750 15.787 ( -2.858 7.150 -0.314) 7.707 16.925 ( 4.409 11.622 -2.618) 12.703 17.299 ( 2.517 -5.806 -1.753) 6.567 17.894 ( 0.082 -3.377 17.843) 18.160 17.918 ( -1.267 -5.567 10.906) 12.310 18.671 ( -1.561 9.455 -12.372) 15.649 19.702 ( -2.244 3.250 -11.714) 12.362 19.905 ( 1.957 -6.989 -9.672) 12.092 21.133 ( -0.530 0.128 -0.316) 0.630 21.185 ( 0.748 -2.529 2.413) 3.574 22.401 ( -0.592 1.494 -3.244) 3.620 ======================= Grid point 519 (101/162) ======================= q-point: (-0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -6.085 12.133 10.523) 17.175 2.719 ( -6.196 26.591 15.786) 31.538 3.081 ( -1.110 -6.141 -8.229) 10.328 3.645 ( -17.725 5.962 14.124) 23.435 3.881 ( 6.194 -8.353 -7.993) 13.115 5.086 ( -19.052 25.544 10.288) 33.486 5.749 ( 1.597 -4.627 0.323) 4.906 7.641 ( 0.475 0.223 -6.415) 6.436 7.816 ( -4.830 6.215 -7.492) 10.867 9.600 ( 8.057 -7.862 3.534) 11.799 10.073 ( 2.653 -13.248 2.423) 13.727 10.370 ( 9.479 -10.243 -6.322) 15.321 11.288 ( 23.009 4.691 -1.197) 23.513 11.756 ( -19.163 -11.098 -0.654) 22.155 12.301 ( -7.728 20.546 2.186) 22.060 14.902 ( -0.476 -7.458 -2.092) 7.761 15.297 ( 11.324 14.298 1.675) 18.316 15.713 ( -22.550 4.331 -2.672) 23.118 16.931 ( -1.196 -3.730 -5.105) 6.435 17.226 ( -25.752 30.734 -14.339) 42.584 17.675 ( -7.716 15.452 -11.757) 20.893 18.319 ( 0.634 -1.100 2.034) 2.398 20.116 ( -0.499 0.481 -2.266) 2.370 20.605 ( 17.890 -21.582 2.266) 28.124 21.277 ( 0.994 -0.103 -2.361) 2.563 21.676 ( 6.539 1.769 1.887) 7.032 22.082 ( -1.617 -8.136 5.900) 10.179 ======================= Grid point 525 (102/162) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -3.600 -6.236 0.463) 7.216 2.688 ( 3.600 6.236 0.463) 7.216 3.864 ( -0.000 -0.000 -2.407) 2.407 4.684 ( -5.465 -9.465 6.589) 12.762 4.684 ( 5.465 9.465 6.589) 12.762 5.175 ( 0.000 0.000 -3.201) 3.201 7.553 ( -0.000 -0.000 -9.093) 9.093 7.788 ( -5.944 -10.295 3.553) 12.407 7.788 ( 5.944 10.295 3.553) 12.407 8.858 ( -0.707 -1.224 -5.242) 5.429 8.858 ( 0.707 1.224 -5.242) 5.429 10.618 ( -8.003 -13.862 1.994) 16.130 10.618 ( 8.003 13.862 1.994) 16.130 10.733 ( 0.000 0.000 3.037) 3.037 13.059 ( -0.000 -0.000 8.330) 8.330 14.240 ( -0.000 -0.000 -1.179) 1.179 15.859 ( -0.000 -0.000 -0.259) 0.259 17.144 ( -4.932 -8.543 -2.551) 10.189 17.144 ( 4.932 8.543 -2.551) 10.189 17.857 ( -0.156 -0.271 15.990) 15.993 17.857 ( 0.156 0.271 15.990) 15.993 18.770 ( -0.000 -0.000 -13.801) 13.801 19.784 ( -2.535 -4.391 -10.616) 11.765 19.784 ( 2.535 4.391 -10.616) 11.765 21.147 ( -0.654 -1.132 1.132) 1.729 21.147 ( 0.654 1.132 1.132) 1.729 22.416 ( -0.000 -0.000 -3.513) 3.513 ======================= Grid point 532 (103/162) ======================= q-point: (-0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -2.895 10.506 0.694) 10.920 2.998 ( -0.099 17.839 11.330) 21.133 3.121 ( -3.999 5.569 -2.505) 7.299 3.669 ( 4.672 -6.326 -1.644) 8.034 4.009 ( -16.080 2.843 9.237) 18.761 5.605 ( 2.729 -3.006 1.256) 4.250 5.851 ( -30.580 22.974 6.783) 38.845 7.625 ( -0.846 -3.297 -4.968) 6.022 7.987 ( -6.736 7.843 -6.520) 12.222 9.404 ( 8.106 -2.827 4.726) 9.800 9.820 ( 7.510 -20.444 -0.867) 21.797 10.098 ( 8.801 -11.955 -5.308) 15.765 10.904 ( 26.917 6.071 -0.810) 27.605 11.953 ( -17.296 -11.987 1.126) 21.074 12.609 ( -4.397 19.601 4.051) 20.492 14.827 ( -1.984 -12.241 -0.988) 12.440 15.245 ( 11.265 14.913 1.273) 18.733 16.134 ( -19.580 6.347 -2.280) 20.709 16.965 ( -8.030 -4.726 -2.580) 9.668 17.861 ( -17.760 19.551 -4.651) 26.820 17.971 ( -7.001 17.824 -11.879) 22.535 18.271 ( 2.659 -2.970 2.256) 4.581 20.016 ( 15.249 -11.543 -0.531) 19.133 20.198 ( 2.512 -6.889 -7.200) 10.277 21.262 ( 1.250 1.018 -2.699) 3.144 21.578 ( 6.599 2.198 2.436) 7.369 22.042 ( -2.977 -8.362 4.506) 9.954 ======================= Grid point 533 (104/162) ======================= q-point: (-0.17 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -6.397 11.079 4.712) 13.633 2.991 ( 0.770 -1.333 0.355) 1.580 3.278 ( -14.709 25.476 5.076) 29.852 3.670 ( 3.642 -6.307 0.579) 7.306 3.822 ( -4.265 7.387 7.124) 11.114 5.634 ( 3.971 -6.879 0.484) 7.957 5.679 ( -18.863 32.672 8.166) 38.600 7.603 ( 2.193 -3.798 -5.333) 6.905 7.965 ( -4.968 8.606 -6.380) 11.809 9.472 ( 2.590 -4.485 4.205) 6.671 9.763 ( 10.454 -18.107 0.818) 20.924 10.123 ( 8.033 -13.913 -6.615) 17.374 11.319 ( 3.821 -6.618 2.871) 8.163 11.590 ( 0.523 -0.906 -3.087) 3.259 12.671 ( -9.545 16.532 3.858) 19.475 14.747 ( 4.507 -7.806 -0.718) 9.042 15.488 ( -2.314 4.008 1.562) 4.885 15.920 ( -9.550 16.542 -3.272) 19.379 16.875 ( 0.685 -1.186 -2.002) 2.426 17.801 ( -14.729 25.511 -6.192) 30.101 18.003 ( -9.754 16.895 -12.055) 22.933 18.278 ( 1.835 -3.179 2.231) 4.295 20.110 ( 0.853 -1.478 -2.991) 3.443 20.167 ( 12.414 -21.501 -4.600) 25.250 21.279 ( -0.186 0.322 -2.570) 2.596 21.667 ( 1.543 -2.672 0.372) 3.108 21.955 ( 2.478 -4.293 7.398) 8.905 ======================= Grid point 545 (105/162) ======================= q-point: (-0.33 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 0.488 9.454 -7.757) 12.239 3.108 ( -1.234 3.357 5.355) 6.440 3.258 ( 2.851 17.102 3.544) 17.697 3.582 ( 0.429 -2.283 0.536) 2.384 4.310 ( -14.095 6.314 9.131) 17.942 5.416 ( 9.036 -9.205 3.830) 13.456 6.677 ( -36.838 18.690 3.474) 41.454 7.616 ( -3.990 -6.877 -3.787) 8.806 8.171 ( -5.123 5.631 -4.977) 9.096 9.258 ( 8.218 -2.172 3.915) 9.359 9.484 ( 7.367 -13.679 -1.646) 15.624 9.827 ( 8.526 -12.893 -4.959) 16.233 10.519 ( 25.624 8.939 -0.640) 27.146 12.108 ( -14.859 -12.840 2.737) 19.828 12.829 ( -0.003 17.173 5.039) 17.897 14.733 ( -2.693 -14.206 -0.462) 14.466 15.212 ( 10.512 16.100 0.243) 19.229 16.483 ( -14.031 4.896 -0.805) 14.882 17.104 ( -14.044 -6.756 -1.355) 15.643 18.130 ( 1.724 3.257 3.863) 5.339 18.201 ( 0.181 1.055 6.099) 6.192 18.293 ( -7.592 19.186 -7.924) 22.103 19.608 ( 14.830 -10.384 -8.711) 20.090 20.183 ( -2.625 -3.091 -10.975) 11.700 21.253 ( 1.653 2.071 -2.860) 3.899 21.505 ( 4.465 2.288 2.394) 5.559 22.015 ( -3.116 -7.717 3.438) 9.004 ======================= Grid point 546 (106/162) ======================= q-point: (-0.25 0.42 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -1.353 10.958 -4.271) 11.838 3.010 ( -4.891 -2.096 1.391) 5.500 3.557 ( 3.155 1.241 1.926) 3.899 3.654 ( 4.301 26.539 3.064) 27.059 4.084 ( -18.825 4.776 9.935) 21.815 5.468 ( 6.705 -8.309 1.923) 10.849 6.338 ( -24.783 23.386 5.689) 34.546 7.510 ( 1.077 -7.951 -3.726) 8.846 8.137 ( -5.155 6.473 -4.387) 9.366 9.345 ( 12.228 -16.214 -0.133) 20.309 9.466 ( -0.034 -1.593 2.176) 2.697 9.855 ( 7.628 -10.967 -5.959) 14.627 11.046 ( 24.110 6.714 1.657) 25.082 11.686 ( -16.312 -14.523 -0.428) 21.845 12.948 ( -4.799 14.606 4.820) 16.112 14.600 ( 1.906 -10.438 -0.590) 10.627 15.521 ( 6.311 11.974 0.643) 13.550 16.275 ( -15.333 8.431 -1.916) 17.602 16.892 ( -4.752 -2.444 0.623) 5.380 18.173 ( -2.800 7.278 7.417) 10.762 18.200 ( 0.368 -1.604 4.269) 4.575 18.331 ( -9.836 18.869 -12.039) 24.449 19.775 ( 14.118 -9.843 -13.437) 21.835 20.081 ( -2.185 -6.787 -6.552) 9.683 21.289 ( 0.196 1.648 -2.636) 3.115 21.593 ( 4.156 -0.782 0.544) 4.264 21.904 ( -1.421 -5.200 6.382) 8.354 ======================= Grid point 558 (107/162) ======================= q-point: (-0.42 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 2.910 7.980 -12.098) 14.782 3.124 ( 0.320 0.140 5.201) 5.213 3.342 ( 8.236 18.649 4.379) 20.852 3.584 ( -1.748 -1.582 1.310) 2.697 4.599 ( -9.988 6.465 3.827) 12.498 5.159 ( 8.109 -8.408 11.007) 16.050 7.381 ( -26.895 3.477 -0.863) 27.132 7.633 ( -7.551 -7.812 -2.557) 11.161 8.172 ( 6.100 -5.454 -1.717) 8.361 9.094 ( -0.680 -9.088 -2.051) 9.342 9.381 ( 4.515 6.625 2.161) 8.304 9.585 ( 8.651 -2.095 -4.250) 9.864 10.252 ( 14.845 9.985 -0.857) 17.911 12.198 ( -11.258 -14.681 3.655) 18.858 12.944 ( 4.891 14.424 5.364) 16.147 14.659 ( -5.018 -12.990 -0.486) 13.934 15.200 ( 9.724 16.364 -0.278) 19.037 16.689 ( -6.161 0.627 0.923) 6.261 17.260 ( -12.893 -11.851 -2.180) 17.648 18.056 ( 2.675 -1.590 5.179) 6.042 18.210 ( 1.834 1.396 17.459) 17.610 18.545 ( 2.704 20.525 -10.194) 23.076 19.346 ( 5.151 -6.539 -12.073) 14.665 20.199 ( -2.747 -3.548 -14.566) 15.242 21.247 ( 1.838 2.861 -2.903) 4.471 21.470 ( 2.436 2.555 2.216) 4.169 21.999 ( -3.511 -6.969 2.918) 8.331 ======================= Grid point 559 (108/162) ======================= q-point: (-0.33 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 2.460 8.303 -9.323) 12.724 3.074 ( -4.146 -2.822 1.737) 5.308 3.546 ( -0.824 0.571 1.772) 2.037 3.777 ( 11.480 27.832 4.328) 30.416 4.467 ( -15.451 9.414 7.922) 19.751 5.241 ( 9.841 -8.182 5.767) 14.037 6.959 ( -26.939 9.869 2.307) 28.782 7.435 ( -3.736 -10.339 -1.912) 11.158 8.180 ( 3.096 -7.197 -0.189) 7.837 9.022 ( 3.979 -11.299 -4.573) 12.823 9.444 ( 4.454 -4.474 -3.721) 7.328 9.755 ( 1.349 11.841 0.377) 11.923 10.688 ( 24.406 7.446 0.760) 25.528 11.804 ( -15.378 -17.658 1.365) 23.455 13.121 ( 0.126 12.127 5.180) 13.188 14.486 ( -1.108 -10.568 -0.897) 10.663 15.526 ( 8.524 15.030 0.154) 17.280 16.565 ( -10.471 3.697 0.133) 11.105 16.973 ( -8.759 -6.212 1.405) 10.830 18.085 ( 3.545 -3.681 5.718) 7.669 18.234 ( 1.335 -1.600 17.697) 17.820 18.699 ( -8.387 21.017 -12.309) 25.759 19.476 ( 14.217 -2.722 -16.025) 21.594 20.066 ( -5.143 -8.856 -12.396) 16.079 21.302 ( 0.956 2.897 -2.605) 4.011 21.528 ( 2.724 -0.129 0.716) 2.819 21.887 ( -2.276 -4.903 5.285) 7.560 ======================= Grid point 560 (109/162) ======================= q-point: (-0.25 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -3.019 5.230 -8.626) 10.530 2.990 ( -0.266 0.462 0.892) 1.039 3.543 ( -0.211 0.366 1.492) 1.551 4.174 ( -6.506 11.269 12.607) 18.118 4.246 ( -12.410 21.495 0.979) 24.839 5.293 ( 5.466 -9.467 3.563) 11.498 6.758 ( -11.175 19.356 4.114) 22.726 7.344 ( 4.399 -7.619 -1.644) 8.950 8.166 ( 3.836 -6.645 0.381) 7.682 9.001 ( 6.207 -10.752 -5.379) 13.530 9.461 ( 4.233 -7.332 -4.623) 9.646 9.826 ( -6.818 11.809 0.973) 13.671 11.074 ( 4.400 -7.620 3.881) 9.617 11.449 ( 3.413 -5.911 -2.275) 7.195 13.183 ( -5.235 9.067 5.116) 11.652 14.423 ( 4.189 -7.255 -0.946) 8.431 15.700 ( -3.594 6.225 0.167) 7.190 16.466 ( -5.986 10.367 -0.470) 11.980 16.866 ( 0.257 -0.444 3.085) 3.127 18.098 ( 2.707 -4.688 5.362) 7.619 18.235 ( 1.793 -3.106 18.227) 18.577 18.722 ( -11.649 20.177 -12.549) 26.463 19.648 ( 2.780 -4.814 -23.594) 24.240 19.924 ( 4.567 -7.910 -5.825) 10.834 21.327 ( -1.220 2.112 -2.383) 3.410 21.553 ( 1.677 -2.905 -0.479) 3.388 21.840 ( 0.936 -1.622 6.703) 6.960 ======================= Grid point 570 (110/162) ======================= q-point: (-0.42 0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 3.731 6.463 -10.889) 13.201 3.092 ( -1.667 -2.888 2.636) 4.250 3.563 ( -0.287 -0.497 1.196) 1.326 3.820 ( 15.432 26.730 4.006) 31.124 4.705 ( 1.353 2.343 3.486) 4.413 5.055 ( -0.552 -0.955 11.464) 11.517 7.275 ( -6.648 -11.514 -3.113) 13.655 7.475 ( -5.124 -8.875 1.630) 10.377 8.000 ( -5.423 -9.393 3.128) 11.288 8.975 ( -1.162 -2.013 -6.238) 6.657 9.342 ( -2.678 -4.638 -6.386) 8.335 9.868 ( 11.641 20.163 2.778) 23.447 10.469 ( 7.314 12.668 0.306) 14.631 11.850 ( -11.653 -20.183 1.930) 23.385 13.181 ( 5.322 9.217 5.256) 11.870 14.441 ( -5.045 -8.738 -1.074) 10.147 15.527 ( 9.129 15.812 0.003) 18.258 16.677 ( -0.892 -1.545 1.655) 2.434 17.026 ( -6.346 -10.991 0.755) 12.714 18.029 ( -0.459 -0.794 7.474) 7.530 18.200 ( -1.317 -2.282 19.362) 19.540 18.936 ( 9.695 16.793 -14.723) 24.347 19.284 ( 0.982 1.700 -12.996) 13.143 20.070 ( -5.491 -9.511 -15.134) 18.699 21.309 ( 1.886 3.267 -2.580) 4.570 21.503 ( 0.377 0.653 0.716) 1.040 21.883 ( -2.617 -4.532 4.912) 7.177 ======================= Grid point 572 (111/162) ======================= q-point: (-0.33 0.58 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 2.630 5.214 -8.381) 10.214 3.016 ( -3.059 -3.042 -0.741) 4.377 3.559 ( -0.424 0.801 1.057) 1.393 4.301 ( 8.811 22.934 7.842) 25.789 4.648 ( -12.246 6.852 5.319) 15.007 5.104 ( 6.687 -5.179 4.407) 9.537 7.058 ( -8.210 -0.968 -1.775) 8.455 7.304 ( -7.507 1.080 3.765) 8.468 7.872 ( 8.307 -20.741 4.317) 22.756 8.970 ( -1.993 4.174 -7.665) 8.953 9.281 ( 3.662 -9.270 -7.181) 12.285 10.160 ( -5.548 24.526 2.556) 25.275 10.781 ( 19.312 0.545 2.131) 19.436 11.434 ( -11.658 -18.151 -0.556) 21.580 13.304 ( 0.040 6.273 5.177) 8.133 14.323 ( -0.249 -5.758 -1.276) 5.903 15.777 ( 3.442 9.521 -0.170) 10.125 16.642 ( -4.267 4.450 1.714) 6.399 16.858 ( -2.536 -5.637 3.275) 6.995 18.029 ( 1.368 -1.413 8.935) 9.149 18.145 ( 0.848 -6.001 18.093) 19.081 19.107 ( -9.091 19.890 -14.862) 26.441 19.475 ( 15.824 1.476 -16.823) 23.143 19.837 ( -6.908 -14.086 -12.371) 19.979 21.366 ( 0.283 3.470 -2.100) 4.066 21.499 ( 0.747 -2.580 -0.687) 2.773 21.824 ( -0.667 -1.686 6.199) 6.458 ======================= Grid point 585 (112/162) ======================= q-point: (-0.33 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -1.719 -2.978 -4.730) 5.848 2.953 ( 1.719 2.978 -4.730) 5.848 3.569 ( 0.000 0.000 0.787) 0.787 4.631 ( -4.783 -8.285 9.422) 13.428 4.631 ( 4.784 8.285 9.422) 13.428 5.058 ( 0.000 0.000 -2.102) 2.102 7.015 ( 0.000 0.000 -3.338) 3.338 7.490 ( -7.898 -13.680 5.815) 16.832 7.490 ( 7.898 13.680 5.815) 16.832 9.104 ( -4.171 -7.224 -7.758) 11.391 9.104 ( 4.171 7.224 -7.758) 11.391 10.615 ( -9.183 -15.905 2.894) 18.592 10.615 ( 9.183 15.905 2.894) 18.592 11.220 ( 0.000 0.000 -2.089) 2.089 13.366 ( 0.000 0.000 5.155) 5.155 14.265 ( 0.000 0.000 -1.416) 1.416 15.875 ( 0.000 0.000 -0.417) 0.417 16.745 ( -2.862 -4.957 3.196) 6.556 16.745 ( 2.862 4.957 3.196) 6.556 18.046 ( -1.631 -2.825 13.615) 14.001 18.046 ( 1.631 2.825 13.615) 14.001 19.404 ( 0.000 0.000 -24.163) 24.163 19.545 ( -5.674 -9.828 -9.951) 15.094 19.545 ( 5.674 9.828 -9.951) 15.094 21.436 ( -1.770 -3.065 -1.472) 3.834 21.436 ( 1.770 3.065 -1.472) 3.834 21.809 ( 0.000 0.000 6.291) 6.291 ======================= Grid point 628 (113/162) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -0.000 -0.000 17.554) 17.554 2.003 ( 0.000 0.000 17.554) 17.554 3.272 ( 0.000 -0.000 -12.624) 12.624 3.272 ( 0.000 0.000 -12.624) 12.624 3.665 ( 0.000 -0.000 26.436) 26.436 5.127 ( 0.000 0.000 -8.186) 8.186 5.858 ( 0.000 0.000 1.407) 1.407 7.441 ( 0.000 0.000 -4.446) 4.446 7.441 ( -0.000 -0.000 -4.446) 4.446 10.040 ( 0.000 0.000 0.848) 0.848 10.401 ( 0.000 -0.000 2.228) 2.228 10.401 ( -0.000 -0.000 2.228) 2.228 10.968 ( 0.000 0.000 -3.265) 3.265 11.828 ( 0.000 0.000 -0.042) 0.042 11.828 ( 0.000 -0.000 -0.042) 0.042 14.900 ( 0.000 0.000 -1.445) 1.445 14.900 ( 0.000 0.000 -1.445) 1.445 15.491 ( 0.000 -0.000 0.433) 0.433 15.491 ( 0.000 -0.000 0.433) 0.433 16.993 ( 0.000 0.000 -5.511) 5.511 16.993 ( 0.000 -0.000 -5.511) 5.511 18.347 ( -0.000 0.000 2.194) 2.194 20.019 ( 0.000 -0.000 -1.376) 1.376 21.241 ( -0.000 0.000 -1.029) 1.029 21.743 ( -0.000 -0.000 1.844) 1.844 21.743 ( 0.000 -0.000 1.844) 1.844 22.327 ( 0.000 0.000 1.427) 1.427 ======================= Grid point 629 (114/162) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 11.376 -6.727 17.534) 21.957 2.382 ( 15.888 23.730 14.146) 31.869 3.099 ( -5.623 -6.275 -8.427) 11.917 3.469 ( 9.291 5.021 -14.127) 17.638 3.711 ( 3.891 3.800 20.849) 21.547 4.994 ( -8.605 -5.014 -2.945) 10.385 5.851 ( -0.853 -0.137 1.058) 1.366 7.438 ( 2.331 -1.251 -3.467) 4.361 7.497 ( 2.651 2.750 -5.862) 6.997 9.973 ( -5.753 -3.086 1.145) 6.628 10.383 ( -3.369 3.086 2.406) 5.164 10.504 ( 3.811 -0.774 -1.490) 4.164 11.075 ( 11.642 4.623 -2.225) 12.722 11.769 ( -3.029 -3.215 0.068) 4.418 11.867 ( 2.575 3.135 -0.015) 4.057 14.879 ( 2.005 -4.852 -0.883) 5.323 15.004 ( 5.484 7.158 -2.469) 9.349 15.511 ( -0.436 7.600 1.107) 7.693 15.749 ( 23.706 7.734 -2.227) 25.035 16.962 ( -3.472 1.944 -4.784) 6.223 17.063 ( 7.142 0.261 -6.086) 9.387 18.358 ( 0.737 0.491 2.011) 2.197 20.033 ( 1.141 0.618 -1.359) 1.879 21.229 ( -1.139 -0.550 -0.787) 1.489 21.566 ( -15.938 -5.033 2.561) 16.908 21.728 ( 0.616 -5.790 1.362) 5.980 22.317 ( -1.761 0.954 1.555) 2.536 ======================= Grid point 630 (115/162) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 12.293 -2.093 10.058) 16.020 2.786 ( 7.844 6.250 19.435) 21.870 3.005 ( 0.249 3.421 -10.440) 10.989 3.670 ( 6.384 2.438 -13.995) 15.574 3.884 ( 7.363 11.294 12.517) 18.397 4.945 ( 10.448 3.313 5.768) 12.386 5.822 ( -2.411 -0.148 0.164) 2.421 7.491 ( 4.178 0.037 -2.704) 4.976 7.579 ( 4.037 2.426 -6.476) 8.008 9.798 ( -9.314 -4.985 1.865) 10.728 10.335 ( -6.352 2.444 1.846) 7.051 10.407 ( -8.317 -6.455 -3.632) 11.137 11.193 ( -6.010 -7.110 -1.713) 9.466 11.869 ( 17.955 4.424 0.514) 18.500 11.976 ( 4.115 7.166 0.224) 8.266 14.875 ( 2.946 -4.602 -1.088) 5.571 15.159 ( 2.607 5.547 -0.537) 6.153 15.647 ( 7.893 9.041 -0.353) 12.007 16.406 ( 35.337 17.904 -6.655) 40.169 16.938 ( -1.578 3.773 -4.244) 5.893 17.238 ( 11.508 2.231 -6.120) 13.224 18.370 ( 0.022 0.167 1.706) 1.714 20.062 ( 1.287 0.611 -1.408) 2.003 21.080 ( -22.176 -9.599 4.655) 24.608 21.241 ( -3.954 -3.381 -2.422) 5.738 21.663 ( -0.811 -6.465 1.941) 6.799 22.285 ( -3.738 2.127 1.225) 4.472 ======================= Grid point 631 (116/162) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 2.856 -0.918 0.715) 3.084 2.885 ( 12.408 -9.315 14.052) 20.933 3.140 ( 0.866 13.566 -2.657) 13.851 3.683 ( -3.632 -0.133 -6.995) 7.883 4.128 ( 8.101 9.327 6.006) 13.736 5.467 ( 32.795 17.196 7.607) 37.803 5.766 ( -3.005 0.212 -0.880) 3.139 7.562 ( 2.314 2.460 -2.420) 4.155 7.704 ( 8.433 2.006 -5.856) 10.461 9.581 ( -9.347 -5.406 3.043) 11.218 10.091 ( -16.546 -7.098 -3.788) 18.398 10.264 ( -6.761 0.135 0.670) 6.796 10.843 ( -17.990 -15.204 -1.724) 23.617 12.133 ( 8.882 2.427 1.052) 9.267 12.273 ( 16.557 9.309 1.755) 19.075 14.888 ( 3.870 -4.689 -0.998) 6.162 15.165 ( -6.173 2.964 1.162) 6.945 15.956 ( 15.757 9.959 -1.402) 18.693 16.979 ( 3.552 9.208 -2.404) 10.158 17.227 ( 32.582 15.335 -9.693) 37.292 17.499 ( 15.976 5.173 -4.943) 17.505 18.353 ( -1.717 -0.863 1.750) 2.599 20.077 ( -0.070 -0.205 -1.695) 1.709 20.497 ( -28.410 -14.236 3.639) 31.985 21.195 ( -0.814 -1.781 -2.246) 2.980 21.582 ( -1.234 -5.937 2.474) 6.549 22.235 ( -4.642 2.557 0.421) 5.316 ======================= Grid point 632 (117/162) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.742 -2.343 -3.829) 4.550 3.030 ( 11.880 -6.217 9.685) 16.541 3.256 ( -1.258 9.645 -0.785) 9.759 3.626 ( -2.253 1.327 -1.891) 3.226 4.353 ( 9.332 6.537 4.957) 12.426 5.624 ( -7.388 -1.247 1.412) 7.625 6.343 ( 38.069 22.550 3.588) 44.392 7.622 ( 1.150 3.903 -2.636) 4.848 7.899 ( 11.070 2.301 -4.728) 12.256 9.388 ( -6.610 -5.907 4.817) 10.089 9.713 ( -18.060 -6.750 -4.795) 19.868 10.127 ( -12.619 4.681 0.895) 13.489 10.342 ( -16.745 -22.609 -2.594) 28.254 12.308 ( 7.382 4.083 1.721) 8.610 12.583 ( 12.211 3.413 3.134) 13.061 14.908 ( 5.531 -7.979 -0.415) 9.717 15.046 ( -10.902 4.923 0.580) 11.976 16.330 ( 15.530 9.384 -1.073) 18.177 17.165 ( 6.127 11.994 -1.345) 13.535 17.676 ( 14.607 0.877 -9.623) 17.514 18.009 ( 25.655 13.319 -0.271) 28.908 18.300 ( -2.538 -1.567 2.670) 4.003 19.861 ( -26.449 -12.369 1.664) 29.246 20.071 ( -2.209 -1.827 -4.288) 5.158 21.167 ( -0.385 -1.926 -2.198) 2.948 21.512 ( -0.573 -4.723 2.672) 5.457 22.182 ( -4.527 2.858 -0.340) 5.365 ======================= Grid point 633 (118/162) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 1.389 -2.652 -5.856) 6.577 3.146 ( 7.243 -3.486 6.515) 10.348 3.279 ( -3.108 3.537 0.570) 4.743 3.638 ( 0.371 2.733 0.386) 2.785 4.568 ( 7.817 5.708 2.663) 10.039 5.470 ( -7.851 -1.667 4.347) 9.128 7.178 ( 31.960 21.418 1.165) 38.491 7.675 ( 0.260 4.007 -2.847) 4.922 8.071 ( 5.079 -0.845 -4.031) 6.539 9.224 ( -3.758 -7.899 5.067) 10.109 9.417 ( -10.046 -1.556 -2.665) 10.510 9.773 ( -24.882 -4.104 -1.234) 25.249 10.036 ( -0.914 -11.017 -2.027) 11.239 12.448 ( 4.252 3.251 2.305) 5.827 12.762 ( 7.339 -0.818 3.730) 8.272 14.884 ( 3.712 -14.247 1.709) 14.822 14.956 ( -7.847 11.998 -1.940) 14.468 16.637 ( 9.861 6.816 -0.472) 11.997 17.388 ( 3.992 12.517 -1.648) 13.241 17.871 ( 9.264 -3.200 -8.883) 13.228 18.269 ( 1.531 -0.518 4.796) 5.061 18.434 ( 12.255 3.030 9.415) 15.748 19.359 ( -18.879 -5.585 -5.814) 20.528 20.019 ( -1.897 -1.589 -6.661) 7.106 21.146 ( 0.216 -1.946 -2.155) 2.912 21.471 ( 0.499 -3.475 2.619) 4.380 22.141 ( -3.651 3.373 -0.806) 5.036 ======================= Grid point 634 (119/162) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.575 -2.728 -6.485) 7.210 3.203 ( 0.987 -1.709 3.779) 4.263 3.254 ( 0.140 -0.242 3.196) 3.208 3.660 ( -1.074 1.861 0.747) 2.275 4.678 ( -0.911 1.577 -0.034) 1.822 5.379 ( -1.041 1.803 7.287) 7.579 7.669 ( -3.619 6.268 -0.637) 7.266 7.729 ( -1.113 1.928 -2.407) 3.279 8.004 ( 2.359 -4.086 -3.850) 6.090 9.239 ( -2.305 3.992 1.319) 4.794 9.245 ( 6.922 -11.989 5.912) 15.053 9.496 ( -5.446 9.433 -5.711) 12.299 9.973 ( 2.542 -4.403 -1.692) 5.359 12.503 ( -0.508 0.880 2.541) 2.737 12.821 ( 2.414 -4.181 3.867) 6.185 14.836 ( 3.719 -6.441 1.329) 7.555 14.955 ( -3.795 6.573 -1.748) 7.788 16.763 ( -0.684 1.184 -0.159) 1.376 17.492 ( -4.745 8.219 -2.810) 9.897 17.930 ( 3.187 -5.520 -7.504) 9.846 18.319 ( 1.791 -3.102 5.611) 6.657 18.506 ( 2.746 -4.757 16.711) 17.591 19.173 ( -3.463 5.998 -11.490) 13.416 19.991 ( 0.203 -0.351 -8.427) 8.437 21.138 ( 0.958 -1.659 -2.132) 2.867 21.459 ( 1.530 -2.650 2.563) 3.991 22.126 ( -2.367 4.100 -0.954) 4.829 ======================= Grid point 642 (120/162) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.033 10.450 14.912) 19.183 2.742 ( 0.586 1.015 22.280) 22.311 3.054 ( 5.761 9.978 -17.126) 20.641 3.585 ( 3.748 6.492 -11.911) 14.074 3.882 ( 7.307 12.655 12.774) 19.410 4.895 ( -0.179 -0.310 4.112) 4.128 5.842 ( -0.532 -0.921 -0.032) 1.063 7.445 ( 1.396 2.418 -1.916) 3.386 7.560 ( 1.862 3.225 -6.385) 7.391 9.859 ( -4.671 -8.090 1.384) 9.443 10.385 ( -2.076 -3.596 -0.430) 4.175 10.454 ( -3.527 -6.109 -2.727) 7.563 11.257 ( 5.912 10.240 -0.038) 11.824 11.630 ( -4.714 -8.165 0.678) 9.452 12.029 ( 7.326 12.689 -0.137) 14.653 14.796 ( -1.842 -3.191 1.096) 3.844 15.213 ( 7.636 13.225 -2.561) 15.484 15.601 ( 1.173 2.032 -1.663) 2.876 16.185 ( 19.583 33.919 -4.584) 39.433 16.983 ( -0.139 -0.240 -7.085) 7.091 17.138 ( 4.692 8.127 -3.412) 9.986 18.370 ( 0.272 0.471 1.697) 1.782 20.053 ( 0.692 1.198 -1.336) 1.923 21.198 ( -2.977 -5.157 1.364) 6.109 21.303 ( -10.591 -18.344 -0.370) 21.185 21.620 ( -2.445 -4.236 4.435) 6.602 22.331 ( 0.004 0.006 -0.227) 0.227 ======================= Grid point 643 (121/162) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 5.096 13.285 7.597) 16.130 2.643 ( 3.388 -10.213 10.595) 15.101 3.266 ( 1.481 12.972 -1.732) 13.171 3.702 ( 2.671 2.577 -8.094) 8.904 4.093 ( 4.657 6.382 2.898) 8.415 5.182 ( 21.909 22.690 9.719) 33.005 5.809 ( -2.132 -1.428 -1.519) 2.982 7.535 ( 4.332 4.705 -0.995) 6.472 7.621 ( 3.003 1.426 -6.497) 7.298 9.671 ( -7.647 -7.587 2.190) 10.992 10.234 ( -10.192 -10.620 -3.792) 15.200 10.279 ( -4.040 -9.214 -1.953) 10.248 11.174 ( -22.829 5.355 0.846) 23.464 11.684 ( 21.673 -14.427 1.567) 26.083 12.326 ( 7.517 18.784 1.575) 20.293 14.749 ( 1.560 -6.567 1.528) 6.921 15.409 ( -6.806 16.925 -1.440) 18.299 15.730 ( 16.314 1.076 -1.707) 16.438 16.946 ( 26.095 33.513 -7.947) 43.211 17.003 ( 2.571 2.841 -6.983) 7.965 17.352 ( 9.626 9.707 -2.605) 13.916 18.365 ( -0.819 -0.931 1.546) 1.981 20.070 ( 0.383 -0.108 -1.494) 1.546 20.749 ( -21.184 -22.506 3.371) 31.091 21.195 ( -1.008 -1.669 -1.768) 2.632 21.540 ( -1.329 -5.589 4.884) 7.540 22.314 ( -2.238 0.613 -1.781) 2.926 ======================= Grid point 644 (122/162) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -4.853 3.577 0.097) 6.030 2.794 ( 13.473 1.664 8.760) 16.156 3.388 ( -0.761 11.282 1.485) 11.405 3.707 ( -4.355 3.522 -4.324) 7.076 4.246 ( 9.157 3.509 3.566) 10.434 5.718 ( -4.321 -0.569 -0.550) 4.393 5.959 ( 32.959 26.317 4.937) 42.465 7.623 ( 1.499 2.092 -4.340) 5.045 7.749 ( 9.293 3.762 -2.596) 10.356 9.464 ( -8.208 -6.436 3.729) 11.078 9.897 ( -14.442 -12.423 -5.099) 19.721 10.097 ( -3.383 -15.197 -3.019) 15.859 10.769 ( -29.051 6.203 1.770) 29.759 11.919 ( 22.083 -15.647 2.132) 27.148 12.614 ( 4.880 16.789 3.877) 17.909 14.708 ( 3.135 -10.320 1.491) 10.888 15.370 ( -12.342 13.329 -1.199) 18.205 16.108 ( 19.872 7.101 -1.435) 21.151 17.114 ( 7.321 3.906 -5.797) 10.122 17.556 ( 10.119 15.353 -5.945) 19.325 17.760 ( 23.074 21.837 -2.123) 31.840 18.321 ( -2.205 -2.484 2.086) 3.922 20.052 ( -2.035 -2.993 -1.521) 3.925 20.151 ( -21.855 -19.449 0.450) 29.259 21.163 ( -0.957 -1.326 -1.327) 2.106 21.468 ( -0.550 -5.339 4.812) 7.209 22.274 ( -3.346 1.319 -2.904) 4.623 ======================= Grid point 645 (123/162) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -2.682 3.064 -2.389) 4.720 3.004 ( 8.496 1.661 6.226) 10.663 3.448 ( -6.062 11.434 1.954) 13.088 3.677 ( -2.444 4.016 -2.028) 5.120 4.478 ( 11.057 6.831 3.686) 13.509 5.584 ( -7.789 -3.007 0.251) 8.353 6.806 ( 34.749 22.984 1.715) 41.698 7.659 ( 2.572 -1.273 -5.535) 6.235 7.959 ( 8.782 4.321 -1.083) 9.847 9.250 ( -8.776 -8.358 4.785) 13.030 9.536 ( -11.175 -14.309 -4.559) 18.719 9.879 ( -5.601 -11.298 -4.268) 13.313 10.355 ( -27.041 9.786 2.631) 28.877 12.115 ( 19.168 -16.879 2.471) 25.659 12.815 ( 1.169 13.438 5.415) 14.535 14.650 ( 3.796 -13.025 1.156) 13.616 15.295 ( -12.008 14.626 -1.273) 18.967 16.493 ( 15.390 7.816 -1.366) 17.314 17.306 ( 10.695 1.569 -5.837) 12.285 17.814 ( 5.212 12.812 -4.078) 14.420 18.257 ( -1.399 -2.800 4.025) 5.099 18.278 ( 13.957 12.695 5.188) 19.567 19.603 ( -19.225 -12.532 -4.308) 23.349 20.008 ( -0.949 -4.731 -4.768) 6.783 21.137 ( -0.763 -0.973 -0.955) 1.563 21.420 ( 0.608 -4.517 4.456) 6.374 22.232 ( -3.363 2.209 -3.598) 5.398 ======================= Grid point 646 (124/162) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -2.173 3.566 -3.478) 5.435 3.120 ( 5.292 -2.459 4.805) 7.559 3.424 ( -10.142 14.323 2.998) 17.804 3.693 ( -0.544 2.627 -1.167) 2.925 4.706 ( 4.551 8.013 0.530) 9.230 5.428 ( -5.193 -2.722 3.896) 7.040 7.535 ( 26.327 12.900 -2.206) 29.401 7.684 ( 2.817 -3.297 -5.691) 7.155 8.033 ( -4.609 -2.481 -0.659) 5.275 9.063 ( 0.392 -7.472 4.239) 8.599 9.239 ( -4.992 -16.420 -1.452) 17.224 9.739 ( -8.406 8.536 -3.977) 12.623 10.086 ( -13.741 8.577 2.201) 16.347 12.229 ( 14.656 -19.301 2.643) 24.379 12.918 ( -3.032 10.472 6.115) 12.500 14.597 ( 5.542 -12.888 0.770) 14.050 15.255 ( -10.420 16.129 -1.254) 19.243 16.748 ( 5.841 4.522 -1.345) 7.509 17.458 ( 7.529 -4.752 -7.470) 11.622 17.978 ( -1.533 12.304 -4.226) 13.099 18.257 ( 3.506 -0.044 7.942) 8.681 18.434 ( 0.070 -3.069 15.596) 15.895 19.307 ( -7.607 0.451 -12.101) 14.301 19.953 ( 0.813 -4.981 -7.440) 8.991 21.120 ( -0.210 -0.519 -0.704) 0.900 21.398 ( 1.619 -3.807 4.145) 5.857 22.207 ( -2.595 3.129 -3.911) 5.641 ======================= Grid point 655 (125/162) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -2.746 -4.757 4.193) 6.910 2.643 ( 8.931 15.470 5.445) 18.674 3.457 ( 4.158 7.202 1.878) 8.526 3.793 ( 3.436 5.951 -3.424) 7.677 4.156 ( 1.547 2.679 1.500) 3.438 5.761 ( -2.019 -3.497 -2.852) 4.943 5.790 ( 20.743 35.928 7.573) 42.171 7.625 ( -0.330 -0.571 -7.119) 7.150 7.678 ( 5.272 9.132 0.479) 10.555 9.508 ( -5.096 -8.826 3.212) 10.686 9.958 ( -10.799 -18.704 -3.926) 21.951 10.050 ( -6.138 -10.630 -4.621) 13.116 11.348 ( -3.051 -5.285 2.186) 6.482 11.351 ( -1.663 -2.881 2.364) 4.081 12.658 ( 8.404 14.556 4.053) 17.290 14.627 ( -3.371 -5.839 1.772) 6.971 15.634 ( 0.435 0.754 -1.397) 1.646 15.878 ( 10.868 18.824 -1.626) 21.797 17.063 ( 2.423 4.196 -7.041) 8.548 17.556 ( 10.229 17.716 -4.353) 20.915 17.668 ( 16.934 29.330 -3.165) 34.015 18.327 ( -1.684 -2.917 1.877) 3.857 20.047 ( -1.340 -2.320 -1.944) 3.310 20.250 ( -15.363 -26.610 1.135) 30.747 21.167 ( -0.701 -1.214 -0.921) 1.678 21.443 ( -2.450 -4.244 5.705) 7.521 22.310 ( -0.457 -0.792 -3.843) 3.950 ======================= Grid point 656 (126/162) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -2.425 2.489 1.335) 3.723 2.897 ( 7.115 5.233 3.372) 9.454 3.583 ( 2.135 7.966 1.091) 8.319 3.879 ( -7.033 15.367 -0.680) 16.914 4.303 ( 13.807 2.851 3.689) 14.573 5.661 ( -5.141 -4.498 -2.666) 7.333 6.524 ( 26.101 28.832 3.234) 39.025 7.600 ( 0.325 -3.696 -7.461) 8.333 7.883 ( 7.344 8.786 1.238) 11.518 9.316 ( -7.656 -8.899 4.079) 12.427 9.537 ( -12.418 -23.246 -5.061) 26.837 9.895 ( -3.153 -3.046 -4.297) 6.139 10.949 ( -30.042 10.091 2.984) 31.831 11.561 ( 23.085 -20.288 2.917) 30.871 12.898 ( 4.328 12.013 5.933) 14.080 14.516 ( -1.066 -8.930 1.171) 9.069 15.605 ( -7.643 9.327 -1.037) 12.103 16.294 ( 16.994 12.391 -2.038) 21.130 17.171 ( 5.891 2.572 -6.460) 9.113 17.844 ( 7.536 14.053 -0.417) 15.951 18.219 ( 13.213 21.214 0.712) 25.002 18.255 ( -2.290 -4.003 3.315) 5.680 19.748 ( -15.381 -18.824 -4.259) 24.679 19.978 ( -2.032 -5.628 -3.323) 6.844 21.146 ( -0.792 -0.427 -0.119) 0.908 21.374 ( -0.719 -4.209 5.535) 6.991 22.289 ( -1.581 0.375 -5.106) 5.358 ======================= Grid point 657 (127/162) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -2.562 5.975 -0.349) 6.511 2.999 ( 4.705 -3.312 3.585) 6.779 3.687 ( 0.998 7.182 -0.712) 7.285 3.871 ( -13.734 20.756 1.267) 24.921 4.630 ( 14.954 8.207 2.936) 17.309 5.496 ( -7.426 -6.233 -0.546) 9.711 7.211 ( 26.050 17.266 -1.438) 31.285 7.575 ( 2.874 -6.030 -7.350) 9.932 8.052 ( 2.481 3.709 1.632) 4.751 9.053 ( -8.884 -12.445 0.055) 15.291 9.155 ( -6.404 -18.221 -1.323) 19.359 9.904 ( -0.245 10.537 -2.345) 10.798 10.545 ( -27.073 8.790 3.385) 28.665 11.719 ( 19.729 -22.693 3.243) 30.244 13.044 ( 0.267 9.458 6.989) 11.763 14.424 ( 1.441 -9.670 0.460) 9.788 15.575 ( -8.643 12.958 -0.811) 15.597 16.658 ( 11.807 9.040 -2.575) 15.092 17.285 ( 6.357 -2.634 -6.774) 9.656 18.081 ( 3.936 11.254 0.966) 11.961 18.201 ( 1.637 -1.846 7.149) 7.562 18.464 ( -1.196 5.418 10.012) 11.446 19.421 ( -7.643 -4.572 -12.783) 15.580 19.883 ( -0.614 -7.767 -5.999) 9.833 21.131 ( -0.881 0.451 0.639) 1.178 21.335 ( 0.931 -4.036 5.010) 6.501 22.269 ( -1.779 1.521 -5.760) 6.217 ======================= Grid point 658 (128/162) ======================= q-point: ( 0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -3.880 6.721 -0.930) 7.816 3.019 ( 3.982 -6.897 4.019) 8.920 3.739 ( -1.244 2.155 -2.780) 3.731 3.848 ( -15.196 26.320 3.344) 30.575 4.844 ( -2.401 4.159 0.595) 4.840 5.362 ( 2.058 -3.565 2.032) 4.591 7.537 ( 4.872 -8.439 -9.537) 13.635 7.658 ( 1.409 -2.441 -2.678) 3.888 8.012 ( -0.534 0.924 2.147) 2.398 8.943 ( 6.085 -10.540 -4.072) 12.834 8.955 ( 2.342 -4.057 3.724) 5.985 10.017 ( -9.143 15.835 -1.609) 18.356 10.291 ( -7.625 13.207 3.908) 15.743 11.777 ( 14.837 -25.699 3.347) 29.862 13.093 ( -3.995 6.920 7.324) 10.839 14.386 ( 4.781 -8.281 0.156) 9.563 15.565 ( -8.305 14.384 -0.736) 16.625 16.818 ( -1.511 2.617 -2.761) 4.093 17.322 ( 4.218 -7.306 -7.481) 11.276 18.137 ( -0.880 1.523 2.921) 3.409 18.334 ( 2.330 -4.035 17.965) 18.559 18.359 ( -5.139 8.901 2.824) 10.659 19.357 ( -2.179 3.775 -14.471) 15.113 19.833 ( 3.905 -6.763 -8.059) 11.222 21.126 ( -0.584 1.012 0.969) 1.518 21.324 ( 2.118 -3.669 4.740) 6.357 22.261 ( -1.301 2.253 -5.957) 6.500 ======================= Grid point 665 (129/162) ======================= q-point: (-0.08 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -6.340 10.981 16.509) 20.817 2.505 ( -8.362 14.483 0.488) 16.731 3.081 ( -0.287 0.498 4.102) 4.142 3.596 ( -3.690 6.392 -10.869) 13.138 3.787 ( -2.940 5.093 10.419) 11.964 4.931 ( -2.127 3.685 3.355) 5.418 5.822 ( 1.305 -2.260 0.926) 2.769 7.502 ( -1.556 2.696 -3.990) 5.060 7.547 ( -2.561 4.436 -6.368) 8.172 9.852 ( 4.793 -8.302 1.820) 9.757 10.288 ( 3.283 -5.685 3.787) 7.579 10.474 ( 4.139 -7.170 -3.741) 9.085 11.339 ( -7.684 13.310 -3.426) 15.746 11.650 ( 4.573 -7.921 -0.136) 9.147 12.007 ( -7.595 13.154 0.831) 15.212 14.893 ( 1.214 -2.102 -3.345) 4.133 15.187 ( -8.541 14.793 -1.947) 17.192 15.474 ( -0.505 0.875 3.934) 4.061 16.248 ( -18.934 32.795 -6.409) 38.407 16.892 ( 1.607 -2.783 -2.963) 4.371 17.224 ( -5.920 10.254 -7.555) 14.045 18.367 ( -0.195 0.337 1.848) 1.889 20.055 ( -0.771 1.336 -1.410) 2.090 21.155 ( 7.483 -12.962 3.438) 15.357 21.291 ( 5.744 -9.949 -0.558) 11.502 21.744 ( 0.904 -1.566 -0.964) 2.049 22.255 ( 2.133 -3.694 3.506) 5.522 ======================= Grid point 669 (130/162) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 2.432 4.212 1.481) 5.084 2.932 ( -0.787 -1.363 2.176) 2.686 3.705 ( 2.706 4.686 -2.111) 5.808 4.270 ( 10.173 17.620 0.878) 20.365 4.388 ( 5.665 9.812 5.320) 12.517 5.534 ( -5.021 -8.697 -2.347) 10.313 7.062 ( 14.434 25.001 -0.814) 28.880 7.514 ( -2.318 -4.014 -7.801) 9.074 8.046 ( 3.468 6.006 2.332) 7.317 9.073 ( -12.255 -21.225 -5.762) 25.177 9.118 ( -6.227 -10.785 3.157) 12.847 9.959 ( 5.178 8.969 -1.813) 10.514 11.115 ( -4.693 -8.129 2.414) 9.692 11.145 ( -4.110 -7.118 4.598) 9.418 13.089 ( 4.209 7.290 7.272) 11.124 14.363 ( -3.652 -6.325 0.359) 7.313 15.733 ( 2.341 4.055 -0.472) 4.706 16.582 ( 9.025 15.631 -3.259) 18.341 17.216 ( 0.817 1.415 -6.124) 6.338 18.096 ( 6.181 10.707 4.666) 13.214 18.176 ( -1.902 -3.295 6.018) 7.120 18.513 ( 4.153 7.194 6.526) 10.564 19.466 ( -4.616 -7.994 -13.233) 16.135 19.845 ( -4.263 -7.384 -5.171) 9.972 21.145 ( 0.178 0.308 1.164) 1.217 21.303 ( -1.689 -2.926 5.322) 6.304 22.292 ( 0.011 0.018 -6.387) 6.387 ======================= Grid point 670 (131/162) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -1.419 8.062 1.121) 8.263 2.883 ( 1.843 -7.694 2.792) 8.390 3.769 ( 0.507 2.523 -3.683) 4.493 4.382 ( -13.854 27.052 3.418) 30.585 4.777 ( 17.752 5.847 2.746) 18.891 5.320 ( -6.401 -11.874 -0.994) 13.526 7.388 ( 4.067 -2.748 -10.361) 11.465 7.569 ( 10.241 10.415 -1.549) 14.689 8.035 ( -4.734 -6.876 1.362) 8.458 8.804 ( -0.424 -7.171 -4.001) 8.223 8.924 ( -4.296 -8.222 1.786) 9.447 10.222 ( 6.754 20.541 0.452) 21.628 10.683 ( -26.686 4.813 3.683) 27.366 11.236 ( 17.908 -25.461 3.897) 31.371 13.186 ( 0.052 4.853 7.907) 9.278 14.275 ( 0.308 -5.209 -0.210) 5.222 15.782 ( -2.990 7.449 -0.237) 8.030 16.852 ( 5.036 10.491 -4.194) 12.370 17.206 ( 0.862 -5.661 -6.333) 8.538 18.142 ( -0.142 0.049 9.221) 9.222 18.240 ( 3.689 -0.000 14.275) 14.744 18.537 ( -4.059 3.884 0.919) 5.693 19.427 ( -0.613 4.184 -14.922) 15.510 19.714 ( -0.316 -8.888 -8.298) 12.164 21.154 ( -0.593 1.756 2.282) 2.940 21.261 ( 0.622 -3.479 4.703) 5.883 22.292 ( -0.489 0.807 -6.959) 7.023 ======================= Grid point 676 (132/162) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 4.447 9.871 5.426) 12.110 2.832 ( -15.460 1.544 -5.559) 16.502 3.129 ( 2.747 14.172 13.629) 19.853 3.674 ( -0.466 -2.751 -11.309) 11.648 3.916 ( -11.075 2.417 11.390) 16.070 5.258 ( -18.997 23.836 5.837) 31.034 5.760 ( 2.102 -4.221 0.750) 4.775 7.538 ( -0.759 0.731 -3.226) 3.393 7.668 ( -5.206 6.606 -6.517) 10.640 9.667 ( 7.194 -7.002 2.671) 10.388 10.129 ( 5.600 -13.502 2.750) 14.873 10.264 ( 8.070 -10.840 -3.570) 13.977 11.252 ( 23.488 6.908 -2.181) 24.579 11.739 ( -21.156 -12.620 -0.989) 24.654 12.336 ( -8.622 21.564 1.176) 23.254 14.848 ( -0.569 -5.773 -2.944) 6.505 15.338 ( 9.398 15.083 2.052) 17.890 15.680 ( -21.271 2.451 -0.341) 21.414 16.859 ( -3.000 2.051 -1.557) 3.953 16.999 ( -25.866 29.917 -8.084) 40.366 17.463 ( -7.988 13.575 -8.259) 17.785 18.361 ( 0.719 -1.035 1.760) 2.165 20.074 ( -0.347 0.130 -1.641) 1.682 20.688 ( 19.483 -24.016 4.786) 31.293 21.225 ( 1.302 -0.399 -2.531) 2.874 21.683 ( 4.314 -0.708 -1.233) 4.542 22.185 ( 0.829 -5.217 4.299) 6.811 ======================= Grid point 682 (133/162) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -4.430 -7.673 2.100) 9.105 2.716 ( 4.430 7.673 2.100) 9.105 3.794 ( -0.000 -0.000 -4.253) 4.253 4.798 ( -4.381 -7.589 4.247) 9.738 4.798 ( 4.381 7.589 4.247) 9.738 5.107 ( 0.000 0.000 -3.179) 3.179 7.338 ( -0.000 -0.000 -11.120) 11.120 7.815 ( -6.531 -11.313 -1.068) 13.106 7.815 ( 6.531 11.313 -1.068) 13.106 8.796 ( -2.150 -3.724 -0.638) 4.347 8.796 ( 2.150 3.724 -0.638) 4.347 10.652 ( -8.602 -14.899 1.266) 17.250 10.652 ( 8.602 14.899 1.266) 17.250 10.839 ( 0.000 0.000 6.895) 6.895 13.234 ( -0.000 -0.000 8.204) 8.204 14.223 ( -0.000 -0.000 -0.472) 0.472 15.857 ( -0.000 -0.000 -0.013) 0.013 17.055 ( -4.710 -8.158 -5.536) 10.927 17.055 ( 4.710 8.158 -5.536) 10.927 18.181 ( -1.836 -3.180 14.283) 14.748 18.181 ( 1.836 3.180 14.283) 14.748 18.591 ( -0.000 -0.000 -3.260) 3.260 19.548 ( -3.766 -6.522 -11.674) 13.893 19.548 ( 3.766 6.522 -11.674) 13.893 21.199 ( -1.378 -2.386 3.724) 4.633 21.199 ( 1.378 2.386 3.724) 4.633 22.300 ( -0.000 -0.000 -7.338) 7.338 ======================= Grid point 689 (134/162) ======================= q-point: (-0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 4.985 7.434 -2.419) 9.272 3.046 ( -11.034 -3.003 -3.360) 11.919 3.254 ( 4.738 21.725 10.748) 24.697 3.616 ( 1.590 -2.912 -2.760) 4.316 4.181 ( -14.803 3.182 6.789) 16.593 5.642 ( 3.642 -4.640 2.196) 6.294 5.971 ( -30.303 24.547 4.501) 39.257 7.549 ( -1.856 -2.447 -2.164) 3.757 7.854 ( -7.369 8.628 -6.027) 12.848 9.493 ( 6.884 -2.747 3.524) 8.207 9.805 ( 12.455 -18.351 -0.688) 22.189 10.024 ( 5.556 -15.138 -1.377) 16.185 10.871 ( 27.956 7.751 -2.290) 29.101 11.965 ( -19.860 -13.262 0.036) 23.881 12.668 ( -5.282 19.976 1.582) 20.724 14.792 ( -2.197 -10.745 -2.222) 11.190 15.287 ( 11.622 13.494 2.503) 17.984 16.096 ( -20.309 6.516 -1.209) 21.363 16.944 ( -8.588 -1.489 0.871) 8.759 17.699 ( -12.427 23.245 -11.071) 28.589 17.796 ( -19.589 20.272 -3.682) 28.429 18.320 ( 1.957 -2.310 2.145) 3.711 20.036 ( 9.749 -9.681 1.020) 13.777 20.112 ( 13.365 -15.534 -0.850) 20.510 21.204 ( 1.415 0.759 -2.770) 3.202 21.599 ( 4.488 -0.317 -0.562) 4.535 22.124 ( 0.052 -5.377 3.786) 6.576 ======================= Grid point 690 (135/162) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 398 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -1.517 2.627 0.968) 3.184 2.898 ( -2.950 5.110 -6.608) 8.859 3.475 ( -10.460 18.117 11.046) 23.657 3.612 ( 1.584 -2.743 -4.396) 5.419 4.006 ( -4.465 7.733 8.560) 12.370 5.658 ( 3.414 -5.913 1.757) 7.051 5.822 ( -18.152 31.440 5.336) 36.694 7.521 ( 1.335 -2.312 -2.317) 3.536 7.831 ( -5.589 9.681 -6.266) 12.815 9.546 ( 2.725 -4.721 2.577) 6.029 9.803 ( 11.319 -19.605 2.881) 22.820 10.010 ( 7.874 -13.638 -3.888) 16.220 11.365 ( 3.166 -5.483 1.468) 6.499 11.511 ( 0.590 -1.022 -4.428) 4.583 12.725 ( -9.964 17.258 1.263) 19.968 14.716 ( 4.069 -7.047 -2.076) 8.398 15.536 ( -1.585 2.746 2.857) 4.268 15.868 ( -10.169 17.613 -1.596) 20.400 16.865 ( -0.966 1.674 1.332) 2.348 17.677 ( -19.543 33.849 -6.678) 39.652 17.760 ( -9.376 16.239 -9.299) 20.930 18.325 ( 1.525 -2.642 2.014) 3.655 20.055 ( 1.346 -2.332 -2.147) 3.444 20.166 ( 16.094 -27.875 3.036) 32.331 21.221 ( -0.032 0.055 -2.847) 2.847 21.640 ( 1.883 -3.262 -2.851) 4.724 22.094 ( 2.170 -3.759 6.311) 7.659 ======================= Grid point 702 (136/162) ======================= q-point: (-0.33 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 4.477 7.497 -6.316) 10.777 3.160 ( -6.083 -3.481 -0.328) 7.016 3.363 ( 6.990 20.426 5.792) 22.353 3.596 ( -1.216 -0.714 0.957) 1.704 4.457 ( -11.415 6.139 5.001) 13.892 5.499 ( 5.468 -6.692 3.935) 9.495 6.752 ( -33.728 18.299 3.580) 38.539 7.562 ( -4.225 -5.454 -1.294) 7.019 8.062 ( -6.026 7.560 -5.178) 10.967 9.341 ( 10.101 -10.752 4.247) 15.352 9.443 ( 6.414 -7.289 -2.929) 10.142 9.765 ( 7.310 -13.594 -0.591) 15.446 10.485 ( 26.444 10.137 -2.617) 28.442 12.148 ( -16.955 -14.169 1.070) 22.122 12.901 ( -0.603 16.802 1.752) 16.904 14.711 ( -3.092 -14.054 -1.495) 14.468 15.232 ( 11.376 15.603 1.486) 19.367 16.469 ( -15.332 5.771 -0.387) 16.387 17.108 ( -12.594 -3.976 1.976) 13.354 17.988 ( -2.468 16.992 -10.762) 20.264 18.270 ( -0.246 -0.443 3.079) 3.120 18.347 ( -15.202 17.057 3.584) 23.128 19.498 ( 19.608 -18.999 -1.574) 27.348 20.019 ( 1.084 -4.657 -5.347) 7.173 21.190 ( 1.667 1.784 -3.008) 3.874 21.532 ( 2.995 0.043 -0.016) 2.996 22.078 ( -0.567 -4.752 3.120) 5.712 ======================= Grid point 703 (137/162) ======================= q-point: (-0.25 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 3.211 6.641 -5.300) 9.083 3.007 ( -6.702 -1.149 -1.463) 6.955 3.581 ( 0.006 -0.557 0.761) 0.943 3.747 ( 5.961 27.273 5.105) 28.379 4.258 ( -17.150 4.585 6.396) 18.869 5.524 ( 4.913 -6.659 3.331) 8.921 6.454 ( -23.078 23.035 5.292) 33.034 7.462 ( 0.113 -6.031 -0.853) 6.093 8.034 ( -6.348 8.984 -5.272) 12.199 9.365 ( 13.142 -22.772 2.278) 26.390 9.483 ( 3.145 -2.642 -1.527) 4.382 9.778 ( 4.890 -6.717 -0.803) 8.347 11.054 ( 27.225 9.198 -0.966) 28.753 11.662 ( -20.260 -16.984 -1.748) 26.495 13.011 ( -5.052 14.620 1.154) 15.511 14.578 ( 1.861 -10.280 -1.489) 10.552 15.545 ( 6.932 11.193 1.567) 13.258 16.250 ( -16.373 9.667 -0.377) 19.018 16.933 ( -5.344 0.419 3.516) 6.411 18.076 ( -7.531 17.325 -11.451) 22.091 18.260 ( -1.110 1.866 2.520) 3.326 18.282 ( -13.104 18.997 1.408) 23.121 19.619 ( 17.470 -22.674 -1.629) 28.670 19.983 ( 1.934 -6.512 -3.402) 7.597 21.227 ( 0.358 1.538 -3.219) 3.585 21.570 ( 2.627 -2.495 -2.807) 4.583 22.036 ( 0.589 -3.452 6.517) 7.398 ======================= Grid point 715 (138/162) ======================= q-point: (-0.42 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 4.320 7.451 -7.946) 11.718 3.196 ( -2.031 -2.383 1.640) 3.534 3.420 ( 8.528 17.876 2.953) 20.025 3.620 ( -1.697 -0.909 2.011) 2.784 4.661 ( -4.092 5.847 2.445) 7.544 5.356 ( 2.609 -5.465 7.524) 9.658 7.393 ( -22.995 2.218 2.172) 23.203 7.599 ( -7.732 -4.309 -0.734) 8.882 8.116 ( 5.231 -0.624 -3.384) 6.261 9.085 ( -1.120 -13.531 1.125) 13.624 9.346 ( 1.605 -7.149 -4.872) 8.799 9.577 ( 10.225 9.943 2.955) 14.565 10.214 ( 15.537 10.762 -2.763) 19.101 12.254 ( -12.694 -16.326 1.665) 20.747 13.020 ( 4.435 13.740 1.734) 14.542 14.641 ( -5.399 -13.562 -1.152) 14.642 15.207 ( 10.291 16.723 0.830) 19.653 16.703 ( -6.619 1.758 0.669) 6.881 17.249 ( -10.096 -9.140 1.397) 13.690 18.082 ( 3.863 7.489 -4.061) 9.355 18.372 ( -3.816 10.733 -1.161) 11.450 18.598 ( 1.005 6.157 15.050) 16.292 19.103 ( 6.039 -10.893 -10.750) 16.453 19.963 ( -0.772 -5.014 -8.229) 9.667 21.183 ( 1.709 2.552 -3.143) 4.395 21.499 ( 1.257 0.521 0.215) 1.377 22.052 ( -1.470 -3.903 2.755) 4.999 ======================= Grid point 716 (139/162) ======================= q-point: (-0.33 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 4.545 7.920 -7.482) 11.805 3.088 ( -5.672 -4.212 -0.426) 7.078 3.593 ( -1.045 0.395 2.705) 2.927 3.850 ( 12.656 27.807 2.633) 30.664 4.600 ( -13.118 8.109 4.752) 16.138 5.363 ( 5.403 -7.152 5.631) 10.586 7.029 ( -23.277 9.001 4.536) 25.366 7.425 ( -4.745 -6.792 0.815) 8.325 8.154 ( 0.554 -0.468 -2.238) 2.353 8.972 ( 5.530 -16.942 -0.149) 17.822 9.330 ( 6.056 -9.825 -6.403) 13.199 9.795 ( -0.178 15.166 2.766) 15.418 10.677 ( 25.812 8.609 -1.856) 27.273 11.810 ( -17.608 -19.626 -0.708) 26.377 13.186 ( -0.070 11.789 0.952) 11.827 14.463 ( -1.090 -10.723 -1.247) 10.850 15.537 ( 8.719 14.524 0.838) 16.961 16.575 ( -11.785 5.324 1.016) 12.971 17.030 ( -6.911 -3.910 4.186) 8.977 18.179 ( 2.759 0.968 2.122) 3.612 18.393 ( -7.471 13.107 -7.062) 16.658 18.647 ( -5.226 11.418 11.721) 17.177 19.168 ( 13.115 -11.748 -11.935) 21.271 19.878 ( 0.101 -9.558 -6.142) 11.362 21.237 ( 1.108 2.912 -3.552) 4.725 21.512 ( 1.277 -2.074 -2.335) 3.373 22.004 ( -0.347 -2.720 6.162) 6.745 ======================= Grid point 717 (140/162) ======================= q-point: (-0.25 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -2.298 3.981 -7.388) 8.701 2.992 ( 0.289 -0.501 -0.621) 0.849 3.587 ( -0.549 0.951 2.776) 2.985 4.266 ( -11.410 19.764 0.874) 22.838 4.377 ( -6.491 11.244 6.756) 14.636 5.380 ( 4.667 -8.083 4.629) 10.419 6.860 ( -10.117 17.523 5.827) 21.056 7.344 ( 2.488 -4.310 1.393) 5.168 8.153 ( -0.067 0.117 -1.754) 1.759 8.936 ( 9.390 -16.264 -0.663) 18.792 9.337 ( 6.343 -10.986 -6.676) 14.335 9.868 ( -7.878 13.645 2.543) 15.960 11.134 ( 4.598 -7.965 1.798) 9.371 11.372 ( 3.301 -5.717 -5.028) 8.298 13.244 ( -5.154 8.926 0.691) 10.330 14.400 ( 4.271 -7.397 -1.232) 8.630 15.709 ( -3.180 5.508 0.586) 6.387 16.475 ( -7.128 12.345 1.339) 14.318 16.951 ( -0.476 0.824 5.208) 5.294 18.206 ( 1.078 -1.867 4.427) 4.924 18.390 ( -7.132 12.353 -9.231) 16.991 18.657 ( -7.610 13.181 11.170) 18.879 19.240 ( 7.641 -13.235 -14.504) 21.070 19.820 ( 5.467 -9.469 -3.894) 11.607 21.264 ( -1.230 2.131 -3.560) 4.328 21.510 ( 1.860 -3.221 -3.546) 5.139 21.987 ( 0.911 -1.579 7.576) 7.793 ======================= Grid point 727 (141/162) ======================= q-point: (-0.42 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 4.696 8.134 -7.869) 12.253 3.116 ( -3.348 -5.799 -0.246) 6.700 3.607 ( -0.171 -0.296 2.928) 2.948 3.878 ( 15.524 26.889 1.751) 31.098 4.780 ( 2.726 4.721 3.487) 6.472 5.256 ( -2.585 -4.477 7.636) 9.222 7.265 ( -6.473 -11.211 2.148) 13.122 7.523 ( -3.121 -5.406 3.011) 6.931 8.050 ( -3.014 -5.220 1.335) 6.174 8.880 ( -3.302 -5.718 -2.553) 7.080 9.198 ( -3.251 -5.631 -7.222) 9.718 9.927 ( 11.237 19.464 2.770) 22.645 10.448 ( 7.887 13.661 -2.373) 15.952 11.865 ( -12.976 -22.475 -0.393) 25.955 13.245 ( 5.088 8.812 0.855) 10.211 14.417 ( -5.137 -8.898 -1.193) 10.343 15.534 ( 8.980 15.554 0.612) 17.970 16.713 ( -0.339 -0.588 1.984) 2.097 17.070 ( -4.825 -8.357 3.639) 10.313 18.159 ( 1.260 2.182 3.941) 4.678 18.603 ( -2.277 -3.944 18.955) 19.495 18.648 ( 6.961 12.056 -11.916) 18.325 19.014 ( 1.669 2.890 -12.956) 13.379 19.824 ( -5.050 -8.746 -8.481) 13.188 21.243 ( 1.932 3.346 -3.705) 5.353 21.490 ( -0.786 -1.362 -2.114) 2.634 21.993 ( -1.190 -2.061 5.993) 6.448 ======================= Grid point 729 (142/162) ======================= q-point: (-0.33 0.58 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 2.970 7.392 -6.807) 10.479 2.986 ( -3.397 -6.088 -2.024) 7.260 3.606 ( -0.343 0.741 3.305) 3.405 4.403 ( 12.544 26.358 2.597) 29.306 4.753 ( -14.828 6.396 4.255) 16.700 5.203 ( 4.815 -9.484 4.715) 11.634 7.069 ( -5.138 -3.903 3.182) 7.195 7.404 ( -8.688 6.069 5.438) 11.911 7.965 ( 7.024 -17.039 4.330) 18.932 8.831 ( -1.892 2.065 -5.419) 6.100 9.129 ( 3.897 -9.811 -7.221) 12.790 10.204 ( -5.892 23.961 1.554) 24.724 10.797 ( 22.236 2.372 -0.652) 22.372 11.395 ( -14.493 -20.949 -3.052) 25.656 13.363 ( -0.003 6.047 0.398) 6.060 14.297 ( -0.219 -5.863 -1.155) 5.980 15.776 ( 3.340 8.869 0.040) 9.477 16.690 ( -5.119 6.470 3.040) 8.792 16.945 ( -1.257 -5.014 5.206) 7.337 18.199 ( 0.445 2.625 6.615) 7.131 18.481 ( -1.548 -6.759 10.786) 12.822 18.827 ( -0.721 9.865 -9.096) 13.437 19.145 ( 3.728 7.767 -13.484) 16.001 19.648 ( -0.611 -13.406 -6.099) 14.741 21.303 ( 0.443 3.714 -3.821) 5.347 21.455 ( 0.172 -3.485 -3.503) 4.944 21.968 ( -0.074 -0.982 7.728) 7.790 ======================= Grid point 742 (143/162) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -3.512 -6.082 -4.587) 8.388 2.854 ( 3.512 6.082 -4.587) 8.388 3.614 ( 0.000 0.000 3.454) 3.454 4.788 ( -3.758 -6.509 5.411) 9.261 4.788 ( 3.758 6.509 5.411) 9.261 5.034 ( 0.000 0.000 -0.129) 0.129 7.010 ( 0.000 0.000 2.939) 2.939 7.622 ( -7.611 -13.183 6.745) 16.650 7.622 ( 7.611 13.183 6.745) 16.650 8.949 ( -4.112 -7.122 -7.007) 10.804 8.949 ( 4.112 7.122 -7.007) 10.804 10.658 ( -9.272 -16.060 1.262) 18.587 10.658 ( 9.272 16.060 1.262) 18.587 11.137 ( 0.000 0.000 -5.814) 5.814 13.423 ( 0.000 0.000 0.197) 0.197 14.238 ( 0.000 0.000 -1.120) 1.120 15.866 ( 0.000 0.000 -0.413) 0.413 16.826 ( -3.410 -5.906 4.737) 8.304 16.826 ( 3.410 5.906 4.737) 8.304 18.305 ( -4.040 -6.997 10.140) 12.965 18.305 ( 4.040 6.997 10.140) 12.965 18.945 ( 0.000 0.000 -19.407) 19.407 19.370 ( -6.902 -11.955 -6.025) 15.062 19.370 ( 6.902 11.955 -6.025) 15.062 21.380 ( -1.979 -3.427 -3.842) 5.515 21.380 ( 1.979 3.427 -3.842) 5.515 21.959 ( 0.000 0.000 8.120) 8.120 ======================= Grid point 785 (144/162) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 -0.000 0.000) 0.000 2.210 ( 0.000 -0.000 0.000) 0.000 3.115 ( 0.000 -0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 -0.000 0.000) 0.000 5.873 ( -0.000 -0.000 0.000) 0.000 7.395 ( 0.000 -0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 11.828 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 -0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 -0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 16.935 ( -0.000 0.000 0.000) 0.000 18.370 ( 0.000 -0.000 0.000) 0.000 20.004 ( 0.000 0.000 0.000) 0.000 21.230 ( 0.000 -0.000 0.000) 0.000 21.762 ( 0.000 -0.000 0.000) 0.000 21.762 ( 0.000 0.000 0.000) 0.000 22.342 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 787 (145/162) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 2.516 1.453 0.000) 2.906 2.474 ( 18.828 10.870 0.000) 21.741 3.116 ( -0.584 -0.337 -0.000) 0.674 3.201 ( 7.980 4.607 0.000) 9.215 3.953 ( 0.055 0.032 0.000) 0.063 4.947 ( -3.849 -2.222 0.000) 4.444 5.862 ( -1.011 -0.583 0.000) 1.167 7.412 ( 1.779 1.027 0.000) 2.054 7.425 ( 2.375 1.371 -0.000) 2.742 9.986 ( -5.409 -3.123 0.000) 6.246 10.410 ( -1.241 -0.717 0.000) 1.433 10.487 ( 0.462 0.267 0.000) 0.534 11.052 ( 11.303 6.526 0.000) 13.051 11.770 ( -3.556 -2.053 0.000) 4.106 11.867 ( 3.364 1.942 0.000) 3.884 14.872 ( -0.770 -0.445 0.000) 0.890 14.977 ( 7.354 4.246 0.000) 8.492 15.524 ( 2.736 1.580 0.000) 3.159 15.726 ( 19.578 11.303 0.000) 22.606 16.913 ( -1.589 -0.918 0.000) 1.835 16.999 ( 5.413 3.125 0.000) 6.251 18.379 ( 0.630 0.364 -0.000) 0.727 20.018 ( 1.131 0.653 0.000) 1.306 21.221 ( -0.750 -0.433 0.000) 0.866 21.593 ( -14.247 -8.225 0.000) 16.451 21.741 ( -1.832 -1.057 0.000) 2.115 22.333 ( -0.919 -0.531 0.000) 1.062 ======================= Grid point 789 (146/162) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 2.032 1.173 0.000) 2.346 2.853 ( 12.462 7.195 0.000) 14.389 3.080 ( -1.554 -0.897 0.000) 1.794 3.453 ( 10.891 6.288 0.000) 12.576 4.017 ( 5.739 3.313 0.000) 6.627 5.004 ( 12.560 7.252 0.000) 14.503 5.824 ( -2.376 -1.372 0.000) 2.743 7.485 ( 2.597 1.500 0.000) 2.999 7.487 ( 4.905 2.832 -0.000) 5.663 9.819 ( -8.681 -5.012 0.000) 10.023 10.359 ( -10.559 -6.096 -0.000) 12.193 10.364 ( -2.929 -1.691 0.000) 3.382 11.174 ( -7.444 -4.298 0.000) 8.595 11.875 ( 15.879 9.168 0.000) 18.336 11.978 ( 6.276 3.624 0.000) 7.247 14.864 ( 0.158 0.091 0.000) 0.183 15.152 ( 5.711 3.298 0.000) 6.595 15.644 ( 8.855 5.113 0.000) 10.225 16.340 ( 32.703 18.881 0.000) 37.762 16.892 ( 0.560 0.323 0.000) 0.646 17.173 ( 9.707 5.604 -0.000) 11.209 18.389 ( 0.008 0.004 -0.000) 0.009 20.047 ( 1.155 0.667 0.000) 1.334 21.147 ( -23.953 -13.829 -0.000) 27.658 21.198 ( -1.188 -0.686 0.000) 1.372 21.683 ( -3.080 -1.778 0.000) 3.557 22.297 ( -2.210 -1.276 0.000) 2.552 ======================= Grid point 791 (147/162) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -1.651 -0.953 0.000) 1.906 3.071 ( 7.409 4.278 -0.000) 8.555 3.096 ( 3.111 1.796 0.000) 3.593 3.585 ( 1.527 0.881 0.000) 1.763 4.192 ( 8.950 5.167 0.000) 10.335 5.555 ( 33.080 19.099 0.000) 38.198 5.751 ( -4.067 -2.348 0.000) 4.697 7.541 ( 2.310 1.334 0.000) 2.667 7.637 ( 8.134 4.696 -0.000) 9.392 9.616 ( -8.547 -4.935 0.000) 9.869 10.047 ( -16.153 -9.326 0.000) 18.651 10.273 ( -5.016 -2.896 0.000) 5.792 10.824 ( -20.256 -11.695 0.000) 23.389 12.144 ( 7.967 4.600 0.000) 9.199 12.292 ( 17.276 9.975 0.000) 19.949 14.878 ( 0.965 0.557 0.000) 1.115 15.177 ( -3.134 -1.810 0.000) 3.619 15.941 ( 16.061 9.273 0.000) 18.545 16.965 ( 5.994 3.460 0.000) 6.921 17.113 ( 31.193 18.009 0.000) 36.019 17.449 ( 15.990 9.232 0.000) 18.464 18.373 ( -1.461 -0.843 -0.000) 1.687 20.059 ( -0.332 -0.192 0.000) 0.384 20.540 ( -28.459 -16.431 0.000) 32.861 21.170 ( -1.263 -0.729 0.000) 1.459 21.608 ( -3.281 -1.895 0.000) 3.789 22.238 ( -2.797 -1.615 0.000) 3.230 ======================= Grid point 793 (148/162) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -1.676 -0.968 0.000) 1.935 3.188 ( 4.064 2.346 0.000) 4.693 3.197 ( 3.495 2.018 0.000) 4.036 3.602 ( 1.092 0.630 0.000) 1.261 4.405 ( 9.294 5.366 0.000) 10.732 5.640 ( -5.488 -3.169 0.000) 6.337 6.382 ( 37.357 21.568 0.000) 43.137 7.594 ( 2.390 1.380 0.000) 2.760 7.847 ( 9.776 5.644 0.000) 11.289 9.451 ( -5.602 -3.234 0.000) 6.468 9.651 ( -17.767 -10.258 0.000) 20.516 10.142 ( -6.163 -3.558 0.000) 7.116 10.310 ( -24.020 -13.868 -0.000) 27.735 12.326 ( 7.612 4.395 0.000) 8.790 12.616 ( 11.078 6.396 0.000) 12.792 14.903 ( 1.160 0.670 0.000) 1.340 15.054 ( -6.682 -3.858 0.000) 7.715 16.318 ( 15.969 9.220 0.000) 18.440 17.156 ( 10.054 5.805 0.000) 11.609 17.567 ( 11.781 6.802 0.000) 13.603 18.005 ( 27.854 16.081 0.000) 32.163 18.330 ( -1.831 -1.057 0.000) 2.115 19.885 ( -28.139 -16.246 0.000) 32.492 20.025 ( -2.611 -1.507 0.000) 3.015 21.142 ( -1.087 -0.628 0.000) 1.255 21.541 ( -2.430 -1.403 0.000) 2.806 22.176 ( -2.473 -1.428 0.000) 2.855 ======================= Grid point 795 (149/162) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -0.656 -0.379 0.000) 0.758 3.238 ( 0.586 0.338 0.000) 0.676 3.262 ( 2.236 1.291 0.000) 2.582 3.642 ( 1.953 1.128 0.000) 2.255 4.595 ( 6.728 3.884 0.000) 7.768 5.516 ( -4.781 -2.760 0.000) 5.521 7.192 ( 32.256 18.623 0.000) 37.246 7.644 ( 1.758 1.015 0.000) 2.030 8.027 ( 3.623 2.092 0.000) 4.184 9.301 ( -10.395 -6.002 0.000) 12.003 9.365 ( -2.058 -1.188 0.000) 2.377 9.764 ( -22.667 -13.087 0.000) 26.173 10.012 ( -4.683 -2.704 -0.000) 5.408 12.473 ( 4.799 2.771 0.000) 5.541 12.802 ( 5.297 3.058 0.000) 6.116 14.912 ( -4.989 -2.881 0.000) 5.761 14.926 ( 0.753 0.435 -0.000) 0.869 16.631 ( 10.592 6.115 0.000) 12.231 17.375 ( 7.781 4.492 0.000) 8.985 17.770 ( 6.153 3.552 0.000) 7.105 18.323 ( 2.005 1.158 0.000) 2.316 18.537 ( 17.210 9.936 0.000) 19.872 19.296 ( -22.157 -12.792 0.000) 25.585 19.950 ( -3.486 -2.012 0.000) 4.025 21.122 ( -0.654 -0.378 0.000) 0.755 21.500 ( -1.161 -0.671 0.000) 1.341 22.130 ( -1.429 -0.825 0.000) 1.650 ======================= Grid point 797 (150/162) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 -0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 7.665 ( -0.000 0.000 0.000) 0.000 7.703 ( -0.000 -0.000 0.000) 0.000 7.958 ( 0.000 -0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.344 ( -0.000 0.000 -0.000) 0.000 9.399 ( 0.000 -0.000 0.000) 0.000 9.954 ( 0.000 -0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 0.000) 0.000 14.851 ( 0.000 -0.000 0.000) 0.000 14.935 ( -0.000 0.000 0.000) 0.000 16.760 ( -0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.841 ( 0.000 0.000 0.000) 0.000 18.385 ( 0.000 0.000 0.000) 0.000 18.742 ( 0.000 -0.000 0.000) 0.000 18.994 ( -0.000 0.000 0.000) 0.000 19.902 ( 0.000 0.000 0.000) 0.000 21.114 ( 0.000 0.000 0.000) 0.000 21.487 ( 0.000 0.000 0.000) 0.000 22.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 813 (151/162) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 4.371 7.570 13.075) 15.728 2.671 ( 2.569 4.450 -17.151) 17.904 3.219 ( 5.245 9.084 20.936) 23.417 3.309 ( 4.666 8.081 -14.337) 17.106 3.984 ( 2.043 3.539 -3.264) 5.230 4.947 ( 3.546 6.141 1.204) 7.193 5.837 ( -1.172 -2.030 -0.466) 2.390 7.453 ( 2.092 3.624 2.642) 4.949 7.475 ( 1.683 2.916 -1.547) 3.705 9.873 ( -4.523 -7.834 -0.146) 9.047 10.354 ( -2.901 -5.025 -2.521) 6.327 10.430 ( -4.255 -7.370 0.466) 8.523 11.280 ( 6.896 11.945 2.136) 13.957 11.643 ( -4.488 -7.773 0.534) 8.991 12.022 ( 7.653 13.255 -0.560) 15.315 14.833 ( -1.398 -2.421 2.425) 3.701 15.176 ( 8.092 14.015 -0.815) 16.204 15.549 ( 0.944 1.635 -3.266) 3.773 16.163 ( 18.002 31.181 1.864) 36.053 16.885 ( -0.720 -1.248 -2.311) 2.723 17.123 ( 5.326 9.226 2.101) 10.858 18.388 ( 0.164 0.285 -0.063) 0.335 20.039 ( 0.711 1.232 0.059) 1.424 21.203 ( -1.195 -2.070 -0.950) 2.572 21.291 ( -12.011 -20.804 -0.540) 24.029 21.700 ( -1.705 -2.954 3.184) 4.666 22.309 ( -1.080 -1.871 -1.853) 2.846 ======================= Grid point 815 (152/162) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -7.053 10.576 3.859) 13.285 2.748 ( 14.023 -8.541 1.991) 16.540 3.321 ( -4.674 15.606 1.549) 16.364 3.531 ( 8.253 3.106 -4.028) 9.695 4.082 ( 6.349 2.350 -4.377) 8.062 5.303 ( 20.614 23.369 1.801) 31.213 5.780 ( -2.542 -3.089 -1.189) 4.173 7.521 ( 1.211 1.386 -1.487) 2.366 7.567 ( 5.778 5.751 2.784) 8.615 9.696 ( -6.929 -6.932 -0.003) 9.801 10.175 ( -10.486 -11.603 -1.969) 15.763 10.242 ( -4.000 -11.517 -1.233) 12.254 11.206 ( -23.293 7.023 2.115) 24.421 11.715 ( 21.865 -13.692 1.360) 25.834 12.346 ( 8.514 20.860 0.290) 22.533 14.791 ( 1.029 -5.742 2.497) 6.346 15.376 ( -6.984 16.380 -1.690) 17.887 15.695 ( 17.931 1.295 -1.524) 18.043 16.867 ( 16.748 22.472 -1.529) 28.069 16.908 ( 12.100 11.508 -0.428) 16.704 17.351 ( 8.926 12.057 2.606) 15.226 18.382 ( -0.717 -0.937 -0.092) 1.184 20.055 ( 0.220 -0.137 0.135) 0.293 20.765 ( -20.630 -23.952 -1.952) 31.672 21.185 ( -1.092 -0.686 0.975) 1.617 21.631 ( -2.496 -3.390 3.709) 5.611 22.261 ( -2.039 -2.193 -3.217) 4.395 ======================= Grid point 817 (153/162) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -7.408 5.229 1.692) 9.224 2.950 ( 13.198 -2.469 6.171) 14.778 3.399 ( -4.488 15.332 -2.092) 16.112 3.610 ( -0.542 2.842 -3.448) 4.501 4.269 ( 11.818 3.061 -1.581) 12.310 5.687 ( -4.126 -3.955 -2.072) 6.079 6.017 ( 31.076 26.148 0.280) 40.615 7.548 ( 2.059 -1.276 -2.116) 3.216 7.758 ( 8.295 7.787 2.956) 11.755 9.521 ( -6.517 -4.503 1.150) 8.004 9.815 ( -15.193 -14.406 -2.383) 21.072 10.039 ( -3.621 -16.999 -2.310) 17.533 10.818 ( -28.750 7.809 2.737) 29.917 11.954 ( 21.533 -14.597 1.167) 26.041 12.670 ( 5.491 18.918 1.434) 19.751 14.746 ( 2.621 -10.145 2.133) 10.693 15.336 ( -12.006 13.001 -2.107) 17.821 16.088 ( 20.196 6.894 -0.387) 21.344 17.003 ( 8.679 1.230 -4.595) 9.897 17.533 ( 10.960 20.646 3.999) 23.715 17.751 ( 23.208 22.129 0.933) 32.081 18.344 ( -1.659 -2.058 -0.023) 2.644 20.033 ( -1.373 -2.784 0.022) 3.105 20.142 ( -23.849 -22.941 -1.734) 33.137 21.161 ( -1.245 -0.073 1.159) 1.703 21.556 ( -2.116 -3.246 3.457) 5.193 22.202 ( -2.334 -1.829 -3.803) 4.823 ======================= Grid point 819 (154/162) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -4.860 5.384 2.300) 7.609 3.112 ( 8.045 -1.877 4.080) 9.213 3.450 ( -7.753 15.636 -2.079) 17.576 3.628 ( 0.586 2.090 -2.305) 3.166 4.512 ( 10.231 6.173 -0.431) 11.956 5.564 ( -5.018 -4.508 -2.189) 7.092 6.808 ( 32.899 20.200 -1.564) 38.638 7.572 ( 3.750 -3.852 -2.498) 5.928 7.978 ( 7.163 7.187 2.769) 10.518 9.352 ( -9.337 -10.947 4.744) 15.150 9.441 ( -8.543 -10.308 -4.545) 14.139 9.798 ( -6.224 -12.179 -3.264) 14.061 10.420 ( -26.992 10.419 3.460) 29.139 12.150 ( 18.492 -15.694 0.857) 24.269 12.896 ( 1.086 15.382 2.227) 15.580 14.678 ( 3.476 -13.515 1.574) 14.043 15.265 ( -11.908 14.943 -1.625) 19.176 16.471 ( 15.649 6.861 -0.655) 17.099 17.185 ( 11.480 -1.387 -5.320) 12.729 17.819 ( 3.736 16.404 4.712) 17.471 18.303 ( 0.543 -1.025 0.276) 1.193 18.358 ( 18.961 18.215 2.103) 26.376 19.524 ( -22.388 -19.440 -3.197) 29.822 19.961 ( -2.387 -5.217 0.262) 5.743 21.142 ( -1.298 0.643 1.471) 2.065 21.500 ( -0.900 -2.715 3.024) 4.162 22.151 ( -1.892 -1.001 -3.980) 4.519 ======================= Grid point 821 (155/162) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -3.874 5.952 2.377) 7.489 3.191 ( 4.158 -3.152 2.004) 5.590 3.454 ( -9.506 16.015 -0.145) 18.624 3.661 ( 0.919 0.713 -1.892) 2.221 4.699 ( 2.686 6.800 -1.153) 7.402 5.452 ( -2.066 -3.893 -1.713) 4.729 7.464 ( 22.863 5.531 -4.298) 23.912 7.606 ( 6.022 -2.655 -1.707) 6.799 8.052 ( -5.064 0.457 2.383) 5.615 9.114 ( 2.013 -11.691 -0.379) 11.869 9.247 ( -3.501 -13.571 3.414) 14.425 9.655 ( -9.061 10.717 -4.147) 14.634 10.147 ( -15.264 10.338 3.460) 18.757 12.264 ( 13.946 -18.074 0.676) 22.839 13.010 ( -3.703 12.219 2.635) 13.036 14.617 ( 5.562 -13.429 1.150) 14.581 15.229 ( -10.516 16.540 -1.244) 19.639 16.721 ( 6.450 3.155 -1.130) 7.269 17.320 ( 8.136 -6.905 -5.441) 11.978 17.975 ( -3.210 13.078 3.715) 13.969 18.361 ( 4.586 3.321 2.016) 6.011 18.707 ( 5.540 5.364 8.654) 11.591 19.060 ( -11.323 -9.086 -9.881) 17.562 19.875 ( -0.304 -5.553 0.147) 5.563 21.130 ( -1.077 1.264 1.689) 2.369 21.472 ( 0.432 -2.106 2.723) 3.469 22.122 ( -0.871 -0.043 -4.012) 4.106 ======================= Grid point 839 (156/162) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -2.248 -3.893 1.842) 4.858 2.763 ( 6.345 10.990 6.330) 14.181 3.520 ( 2.512 4.352 4.126) 6.502 3.676 ( 6.466 11.199 -8.004) 15.208 4.135 ( 2.784 4.822 -3.736) 6.706 5.704 ( -2.660 -4.607 -2.604) 5.923 5.875 ( 18.862 32.670 0.623) 37.729 7.521 ( -0.727 -1.259 -2.600) 2.979 7.724 ( 5.683 9.843 3.890) 12.013 9.559 ( -3.912 -6.776 1.344) 7.939 9.875 ( -11.395 -19.737 -3.998) 23.138 9.983 ( -6.925 -11.994 -1.359) 13.916 11.376 ( -2.912 -5.043 0.467) 5.842 11.420 ( -1.031 -1.785 4.151) 4.635 12.720 ( 9.536 16.517 1.750) 19.152 14.670 ( -3.647 -6.317 2.301) 7.649 15.593 ( 0.861 1.491 -2.546) 3.074 15.857 ( 10.636 18.422 -0.365) 21.275 16.933 ( 2.148 3.720 -5.156) 6.710 17.543 ( 15.198 26.323 3.864) 30.640 17.663 ( 13.949 24.161 1.810) 27.957 18.348 ( -1.399 -2.423 -0.062) 2.799 20.029 ( -1.568 -2.716 0.234) 3.145 20.235 ( -16.633 -28.810 -2.631) 33.370 21.173 ( -0.255 -0.441 1.553) 1.634 21.557 ( -2.227 -3.857 5.097) 6.769 22.214 ( -1.417 -2.455 -5.386) 6.086 ======================= Grid point 841 (157/162) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -4.298 3.955 4.055) 7.110 2.961 ( 7.669 1.757 2.830) 8.361 3.591 ( 1.655 3.808 -0.165) 4.156 3.837 ( -6.947 20.826 -3.378) 22.212 4.334 ( 15.188 3.846 -0.987) 15.698 5.596 ( -4.212 -5.300 -3.527) 7.634 6.535 ( 23.520 25.264 -2.086) 34.580 7.485 ( 0.408 -4.685 -3.345) 5.771 7.937 ( 7.008 9.732 3.872) 12.602 9.405 ( -8.847 -11.047 3.667) 14.620 9.441 ( -10.559 -20.516 -3.425) 23.327 9.814 ( -2.868 -2.752 -3.436) 5.254 11.012 ( -29.255 10.328 2.858) 31.156 11.618 ( 22.541 -19.088 2.538) 29.646 12.992 ( 4.894 13.648 2.952) 14.796 14.545 ( -1.527 -9.679 1.608) 9.930 15.578 ( -7.449 10.144 -1.545) 12.680 16.259 ( 16.843 11.115 -1.185) 20.215 17.035 ( 5.814 2.181 -6.237) 8.801 17.892 ( 7.515 16.646 5.834) 19.173 18.257 ( 17.102 25.421 2.121) 30.712 18.295 ( -0.655 -2.091 0.292) 2.210 19.660 ( -18.547 -24.830 -4.111) 31.264 19.945 ( -2.921 -6.493 0.162) 7.121 21.168 ( -0.570 0.809 2.212) 2.424 21.486 ( -1.484 -3.687 5.103) 6.468 22.169 ( -1.475 -1.495 -6.391) 6.727 ======================= Grid point 843 (158/162) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -4.387 7.346 3.917) 9.410 3.060 ( 5.803 -4.285 2.285) 7.567 3.649 ( 1.350 2.314 -2.588) 3.725 3.882 ( -13.530 25.279 -0.456) 28.676 4.655 ( 12.933 7.992 -0.620) 15.216 5.457 ( -4.725 -6.653 -3.318) 8.809 7.136 ( 22.855 11.668 -5.324) 26.208 7.466 ( 4.469 -5.095 -3.339) 7.555 8.099 ( 1.350 3.601 2.803) 4.759 9.007 ( -7.133 -19.464 -3.025) 20.949 9.207 ( -6.336 -11.642 5.148) 14.219 9.852 ( 0.164 13.525 -2.723) 13.798 10.619 ( -26.761 9.077 3.538) 28.479 11.778 ( 19.130 -21.517 2.354) 28.887 13.157 ( 0.239 10.772 3.702) 11.393 14.439 ( 1.227 -10.362 1.025) 10.485 15.556 ( -8.763 13.709 -0.971) 16.299 16.608 ( 12.042 7.253 -2.127) 14.217 17.142 ( 5.986 -2.750 -6.632) 9.347 18.128 ( 0.508 12.385 4.441) 13.167 18.301 ( 5.581 2.877 2.789) 6.870 18.692 ( 7.030 13.321 9.155) 17.626 19.159 ( -13.606 -15.380 -11.042) 23.315 19.816 ( -2.043 -9.345 -0.182) 9.567 21.168 ( -1.090 2.038 2.845) 3.666 21.438 ( 0.068 -3.508 4.648) 5.824 22.137 ( -1.053 -0.404 -6.755) 6.849 ======================= Grid point 845 (159/162) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -4.777 8.274 3.598) 10.209 3.087 ( 4.130 -7.154 2.472) 8.622 3.674 ( -0.410 0.711 -3.427) 3.524 3.889 ( -15.301 26.502 0.722) 30.610 4.835 ( -3.030 5.248 -1.623) 6.274 5.359 ( 3.046 -5.276 -2.478) 6.577 7.361 ( 5.819 -10.079 -7.073) 13.620 7.592 ( 1.654 -2.865 -3.493) 4.811 8.049 ( 0.404 -0.700 1.206) 1.452 8.877 ( 5.533 -9.583 -1.968) 11.239 9.059 ( 3.159 -5.472 6.141) 8.812 9.978 ( -10.275 17.797 -2.210) 20.668 10.378 ( -8.027 13.903 4.171) 16.587 11.836 ( 14.161 -24.528 2.301) 28.416 13.213 ( -4.575 7.925 3.957) 9.970 14.396 ( 5.033 -8.717 0.804) 10.097 15.549 ( -8.656 14.992 -0.792) 17.330 16.761 ( -0.549 0.951 -2.661) 2.879 17.175 ( 4.054 -7.022 -6.479) 10.379 18.170 ( -3.503 6.068 1.641) 7.196 18.473 ( -3.620 6.270 6.287) 9.589 18.672 ( 3.103 -5.374 14.310) 15.598 19.032 ( -2.574 4.457 -16.414) 17.202 19.739 ( 4.471 -7.744 -0.448) 8.953 21.169 ( -1.467 2.541 3.131) 4.291 21.421 ( 1.725 -2.989 4.397) 5.589 22.126 ( -0.233 0.403 -6.838) 6.854 ======================= Grid point 867 (160/162) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 2.273 3.937 4.932) 6.708 2.969 ( -0.605 -1.048 1.487) 1.918 3.649 ( 1.428 2.473 -3.103) 4.217 4.277 ( 10.521 18.222 -0.129) 21.042 4.445 ( 6.150 10.652 -0.042) 12.300 5.469 ( -4.541 -7.866 -3.884) 9.878 6.986 ( 11.189 19.380 -5.896) 23.142 7.396 ( -1.577 -2.732 -3.782) 4.924 8.101 ( 2.844 4.926 2.916) 6.392 8.971 ( -11.665 -20.204 -3.742) 23.628 9.209 ( -6.657 -11.531 5.554) 14.427 9.918 ( 6.824 11.819 -2.245) 13.831 11.146 ( -4.737 -8.204 0.539) 9.489 11.256 ( -3.565 -6.174 5.922) 9.268 13.209 ( 4.770 8.261 4.053) 10.364 14.376 ( -4.056 -7.026 0.965) 8.170 15.722 ( 2.691 4.660 -0.610) 5.416 16.519 ( 8.169 14.149 -2.777) 16.572 17.077 ( 0.801 1.387 -6.881) 7.065 18.198 ( 8.033 13.913 7.178) 17.596 18.250 ( -0.542 -0.939 0.653) 1.266 18.704 ( 9.708 16.814 8.425) 21.164 19.202 ( -11.140 -19.295 -10.491) 24.627 19.783 ( -5.470 -9.474 -0.587) 10.955 21.192 ( 0.862 1.494 3.182) 3.619 21.416 ( -1.883 -3.262 5.393) 6.578 22.145 ( -0.521 -0.903 -7.698) 7.768 ======================= Grid point 869 (161/162) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 720 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -2.484 8.458 4.106) 9.725 2.938 ( 2.875 -7.652 2.549) 8.562 3.685 ( 0.383 1.401 -4.236) 4.478 4.422 ( -13.335 27.314 0.546) 30.401 4.803 ( 16.026 6.091 -0.478) 17.151 5.282 ( -4.922 -11.568 -2.836) 12.888 7.189 ( 3.928 -4.249 -8.304) 10.121 7.508 ( 9.375 9.312 -4.316) 13.900 8.032 ( -5.737 -11.374 -1.824) 12.868 8.766 ( 1.086 -2.684 0.603) 2.957 8.999 ( -4.132 -9.511 5.293) 11.642 10.223 ( 6.318 22.502 -0.396) 23.375 10.756 ( -25.045 4.118 3.079) 25.567 11.320 ( 16.880 -23.838 4.096) 29.495 13.318 ( 0.043 5.506 4.618) 7.186 14.279 ( 0.246 -5.650 0.576) 5.685 15.778 ( -3.161 8.059 -0.150) 8.658 16.765 ( 5.234 8.605 -4.138) 10.889 17.068 ( 0.670 -5.086 -6.707) 8.444 18.255 ( -1.069 4.372 1.615) 4.781 18.447 ( 9.291 6.212 7.699) 13.571 18.703 ( -9.970 -8.737 10.829) 17.117 19.122 ( 2.150 10.219 -12.634) 16.391 19.602 ( -1.381 -12.022 -1.882) 12.247 21.220 ( -0.570 3.132 3.978) 5.094 21.364 ( 0.310 -3.830 5.087) 6.375 22.133 ( -0.299 -0.060 -8.197) 8.203 ======================= Grid point 893 (162/162) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.72e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -4.412 -7.642 3.412) 9.461 2.772 ( 4.412 7.642 3.412) 9.461 3.700 ( -0.000 -0.000 -4.671) 4.671 4.844 ( -3.731 -6.462 -0.077) 7.462 4.844 ( 3.731 6.462 -0.077) 7.461 5.053 ( -0.000 -0.000 -1.908) 1.908 7.130 ( -0.000 -0.000 -8.544) 8.544 7.748 ( -7.213 -12.493 -5.156) 15.320 7.748 ( 7.213 12.493 -5.156) 15.320 8.833 ( -3.486 -6.038 4.054) 8.065 8.833 ( 3.486 6.038 4.054) 8.065 10.668 ( -9.069 -15.708 0.236) 18.140 10.668 ( 9.069 15.708 0.236) 18.140 10.994 ( -0.000 -0.000 7.730) 7.730 13.373 ( -0.000 -0.000 4.928) 4.928 14.222 ( -0.000 -0.000 0.404) 0.404 15.859 ( -0.000 -0.000 0.245) 0.245 16.936 ( -4.061 -7.034 -5.845) 10.006 16.936 ( 4.061 7.034 -5.845) 10.006 18.382 ( -4.127 -7.147 3.767) 9.072 18.382 ( 4.127 7.147 3.767) 9.072 18.649 ( -0.000 -0.000 8.948) 8.948 19.356 ( -6.210 -10.756 -5.356) 13.526 19.356 ( 6.210 10.756 -5.356) 13.526 21.289 ( -1.862 -3.225 4.774) 6.055 21.289 ( 1.862 3.225 4.774) 6.055 22.133 ( -0.000 -0.000 -8.627) 8.627 =================== 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 3/38880 10.0 2326.877 2326.877 1429.944 0.000 -0.000 0.000 3/38880 20.0 537.978 537.978 303.712 0.000 -0.000 0.000 3/38880 30.0 216.222 216.222 109.064 0.000 -0.000 0.000 3/38880 40.0 129.411 129.411 60.878 0.000 -0.000 0.000 3/38880 50.0 93.873 93.873 42.043 0.000 -0.000 0.000 3/38880 60.0 74.258 74.258 32.150 0.000 -0.000 0.000 3/38880 70.0 61.625 61.625 26.024 0.000 -0.000 0.000 3/38880 80.0 52.780 52.780 21.853 0.000 -0.000 0.000 3/38880 90.0 46.231 46.231 18.831 0.000 -0.000 0.000 3/38880 100.0 41.170 41.170 16.543 0.000 -0.000 0.000 3/38880 110.0 37.125 37.125 14.750 0.000 -0.000 0.000 3/38880 120.0 33.804 33.804 13.308 0.000 -0.000 0.000 3/38880 130.0 31.020 31.020 12.124 0.000 -0.000 0.000 3/38880 140.0 28.651 28.651 11.135 0.000 -0.000 0.000 3/38880 150.0 26.607 26.607 10.297 0.000 -0.000 0.000 3/38880 160.0 24.827 24.827 9.577 0.000 -0.000 0.000 3/38880 170.0 23.264 23.264 8.954 0.000 -0.000 0.000 3/38880 180.0 21.881 21.881 8.409 0.000 -0.000 0.000 3/38880 190.0 20.649 20.649 7.928 0.000 -0.000 0.000 3/38880 200.0 19.547 19.547 7.502 0.000 -0.000 0.000 3/38880 210.0 18.554 18.554 7.120 0.000 -0.000 0.000 3/38880 220.0 17.657 17.657 6.777 0.000 -0.000 0.000 3/38880 230.0 16.842 16.842 6.466 0.000 -0.000 0.000 3/38880 240.0 16.099 16.099 6.184 0.000 -0.000 0.000 3/38880 250.0 15.419 15.419 5.927 0.000 -0.000 0.000 3/38880 260.0 14.794 14.794 5.691 0.000 -0.000 0.000 3/38880 270.0 14.218 14.218 5.474 0.000 -0.000 0.000 3/38880 280.0 13.686 13.686 5.273 0.000 -0.000 0.000 3/38880 290.0 13.193 13.193 5.087 0.000 -0.000 0.000 3/38880 300.0 12.734 12.734 4.915 0.000 -0.000 0.000 3/38880 310.0 12.306 12.306 4.754 0.000 -0.000 0.000 3/38880 320.0 11.907 11.907 4.603 0.000 -0.000 0.000 3/38880 330.0 11.533 11.533 4.462 0.000 -0.000 0.000 3/38880 340.0 11.182 11.182 4.330 0.000 -0.000 0.000 3/38880 350.0 10.852 10.852 4.206 0.000 -0.000 0.000 3/38880 360.0 10.541 10.541 4.088 0.000 -0.000 0.000 3/38880 370.0 10.248 10.248 3.977 0.000 -0.000 0.000 3/38880 380.0 9.971 9.971 3.873 0.000 -0.000 0.000 3/38880 390.0 9.708 9.708 3.773 0.000 -0.000 0.000 3/38880 400.0 9.459 9.459 3.679 0.000 -0.000 0.000 3/38880 410.0 9.223 9.223 3.590 0.000 -0.000 0.000 3/38880 420.0 8.999 8.999 3.504 0.000 -0.000 0.000 3/38880 430.0 8.785 8.785 3.423 0.000 -0.000 0.000 3/38880 440.0 8.582 8.582 3.346 0.000 -0.000 0.000 3/38880 450.0 8.387 8.387 3.272 0.000 -0.000 0.000 3/38880 460.0 8.202 8.202 3.201 0.000 -0.000 0.000 3/38880 470.0 8.024 8.024 3.133 0.000 -0.000 0.000 3/38880 480.0 7.854 7.854 3.069 0.000 -0.000 0.000 3/38880 490.0 7.691 7.691 3.006 0.000 -0.000 0.000 3/38880 500.0 7.535 7.535 2.947 0.000 -0.000 0.000 3/38880 510.0 7.386 7.386 2.889 0.000 -0.000 0.000 3/38880 520.0 7.242 7.242 2.834 0.000 -0.000 0.000 3/38880 530.0 7.103 7.103 2.781 0.000 -0.000 0.000 3/38880 540.0 6.970 6.970 2.730 0.000 -0.000 0.000 3/38880 550.0 6.842 6.842 2.681 0.000 -0.000 0.000 3/38880 560.0 6.718 6.718 2.633 0.000 -0.000 0.000 3/38880 570.0 6.599 6.599 2.587 0.000 -0.000 0.000 3/38880 580.0 6.484 6.484 2.543 0.000 -0.000 0.000 3/38880 590.0 6.373 6.373 2.500 0.000 -0.000 0.000 3/38880 600.0 6.266 6.266 2.459 0.000 -0.000 0.000 3/38880 610.0 6.163 6.163 2.419 0.000 -0.000 0.000 3/38880 620.0 6.062 6.062 2.380 0.000 -0.000 0.000 3/38880 630.0 5.965 5.965 2.343 0.000 -0.000 0.000 3/38880 640.0 5.871 5.871 2.307 0.000 -0.000 0.000 3/38880 650.0 5.781 5.781 2.272 0.000 -0.000 0.000 3/38880 660.0 5.692 5.692 2.237 0.000 -0.000 0.000 3/38880 670.0 5.607 5.607 2.204 0.000 -0.000 0.000 3/38880 680.0 5.524 5.524 2.172 0.000 -0.000 0.000 3/38880 690.0 5.443 5.443 2.141 0.000 -0.000 0.000 3/38880 700.0 5.365 5.365 2.111 0.000 -0.000 0.000 3/38880 710.0 5.289 5.289 2.081 0.000 -0.000 0.000 3/38880 720.0 5.215 5.215 2.052 0.000 -0.000 0.000 3/38880 730.0 5.143 5.143 2.025 0.000 -0.000 0.000 3/38880 740.0 5.074 5.074 1.997 0.000 -0.000 0.000 3/38880 750.0 5.006 5.006 1.971 0.000 -0.000 0.000 3/38880 760.0 4.939 4.939 1.945 0.000 -0.000 0.000 3/38880 770.0 4.875 4.875 1.920 0.000 -0.000 0.000 3/38880 780.0 4.812 4.812 1.896 0.000 -0.000 0.000 3/38880 790.0 4.751 4.751 1.872 0.000 -0.000 0.000 3/38880 800.0 4.692 4.692 1.849 0.000 -0.000 0.000 3/38880 810.0 4.633 4.633 1.826 0.000 -0.000 0.000 3/38880 820.0 4.577 4.577 1.804 0.000 -0.000 0.000 3/38880 830.0 4.521 4.521 1.782 0.000 -0.000 0.000 3/38880 840.0 4.467 4.467 1.761 0.000 -0.000 0.000 3/38880 850.0 4.415 4.415 1.741 0.000 -0.000 0.000 3/38880 860.0 4.363 4.363 1.721 0.000 -0.000 0.000 3/38880 870.0 4.313 4.313 1.701 0.000 -0.000 0.000 3/38880 880.0 4.264 4.264 1.682 0.000 -0.000 0.000 3/38880 890.0 4.216 4.216 1.663 0.000 -0.000 0.000 3/38880 900.0 4.169 4.169 1.645 0.000 -0.000 0.000 3/38880 910.0 4.123 4.123 1.627 0.000 -0.000 0.000 3/38880 920.0 4.078 4.078 1.609 0.000 -0.000 0.000 3/38880 930.0 4.034 4.034 1.592 0.000 -0.000 0.000 3/38880 940.0 3.991 3.991 1.575 0.000 -0.000 0.000 3/38880 950.0 3.949 3.949 1.559 0.000 -0.000 0.000 3/38880 960.0 3.908 3.908 1.543 0.000 -0.000 0.000 3/38880 970.0 3.867 3.867 1.527 0.000 -0.000 0.000 3/38880 980.0 3.828 3.828 1.511 0.000 -0.000 0.000 3/38880 990.0 3.789 3.789 1.496 0.000 -0.000 0.000 3/38880 1000.0 3.751 3.751 1.481 0.000 -0.000 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m121210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:17:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|