----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:45:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.999502720000000 5.247624070000001 2.701367280000000 b 2.999502720000000 -5.247624070000001 2.701367280000000 c 2.999502720000000 5.247624070000001 -2.701367280000000 Atomic positions (fractional): *1 O 0.40465795376480 0.31519881050795 0.71985676427275 15.999 2 O 0.59534204623520 0.68480118949205 0.28014323572725 15.999 3 O 0.09534204623520 0.81519881050795 0.91054085674315 15.999 4 O 0.90465795376480 0.18480118949205 0.08945914325685 15.999 *5 K 0.34781865904872 0.86150210449725 0.20932076354597 39.098 6 K 0.65218134095128 0.13849789550275 0.79067923645403 39.098 7 K 0.84781865904872 0.63849789550275 0.48631655455147 39.098 8 K 0.15218134095128 0.36150210449725 0.51368344544853 39.098 *9 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 10 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.999005440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.495248140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.402734560000000 Atomic positions (fractional): *1 O 0.31519881050795 0.40465795376480 0.00000000000000 15.999 > 1 2 O 0.18480118949205 0.09534204623520 0.50000000000000 15.999 > 2 3 O 0.81519881050795 0.09534204623520 0.00000000000000 15.999 > 3 4 O 0.68480118949205 0.40465795376480 0.50000000000000 15.999 > 4 5 O 0.81519881050795 0.90465795376480 0.50000000000000 15.999 > 1 6 O 0.68480118949205 0.59534204623520 0.00000000000000 15.999 > 2 7 O 0.31519881050795 0.59534204623520 0.50000000000000 15.999 > 3 8 O 0.18480118949205 0.90465795376480 0.00000000000000 15.999 > 4 *9 K 0.86150210449725 0.34781865904872 0.00000000000000 39.098 > 5 10 K 0.63849789550275 0.15218134095128 0.50000000000000 39.098 > 6 11 K 0.13849789550275 0.34781865904872 0.50000000000000 39.098 > 7 12 K 0.36150210449725 0.15218134095128 0.00000000000000 39.098 > 8 13 K 0.36150210449725 0.84781865904872 0.50000000000000 39.098 > 5 14 K 0.13849789550275 0.65218134095128 0.00000000000000 39.098 > 6 15 K 0.63849789550275 0.84781865904872 0.00000000000000 39.098 > 7 16 K 0.86150210449725 0.65218134095128 0.50000000000000 39.098 > 8 *17 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 9 18 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 10 19 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 9 20 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.998010880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.495248140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.805469120000000 Atomic positions (fractional): *1 O 0.15759940525398 0.40465795376480 0.00000000000000 15.999 > 1 2 O 0.65759940525397 0.40465795376480 0.00000000000000 15.999 > 1 3 O 0.15759940525398 0.40465795376480 0.50000000000000 15.999 > 1 4 O 0.65759940525397 0.40465795376480 0.50000000000000 15.999 > 1 5 O 0.09240059474602 0.09534204623520 0.25000000000000 15.999 > 2 6 O 0.59240059474603 0.09534204623520 0.25000000000000 15.999 > 2 7 O 0.09240059474602 0.09534204623520 0.75000000000000 15.999 > 2 8 O 0.59240059474603 0.09534204623520 0.75000000000000 15.999 > 2 9 O 0.40759940525397 0.09534204623520 0.00000000000000 15.999 > 3 10 O 0.90759940525397 0.09534204623520 0.00000000000000 15.999 > 3 11 O 0.40759940525397 0.09534204623520 0.50000000000000 15.999 > 3 12 O 0.90759940525397 0.09534204623520 0.50000000000000 15.999 > 3 13 O 0.34240059474603 0.40465795376480 0.25000000000000 15.999 > 4 14 O 0.84240059474603 0.40465795376480 0.25000000000000 15.999 > 4 15 O 0.34240059474603 0.40465795376480 0.75000000000000 15.999 > 4 16 O 0.84240059474603 0.40465795376480 0.75000000000000 15.999 > 4 17 O 0.40759940525397 0.90465795376480 0.25000000000000 15.999 > 1 18 O 0.90759940525397 0.90465795376480 0.25000000000000 15.999 > 1 19 O 0.40759940525397 0.90465795376480 0.75000000000000 15.999 > 1 20 O 0.90759940525397 0.90465795376480 0.75000000000000 15.999 > 1 21 O 0.34240059474603 0.59534204623520 0.00000000000000 15.999 > 2 22 O 0.84240059474603 0.59534204623520 0.00000000000000 15.999 > 2 23 O 0.34240059474603 0.59534204623520 0.50000000000000 15.999 > 2 24 O 0.84240059474603 0.59534204623520 0.50000000000000 15.999 > 2 25 O 0.15759940525398 0.59534204623520 0.25000000000000 15.999 > 3 26 O 0.65759940525397 0.59534204623520 0.25000000000000 15.999 > 3 27 O 0.15759940525398 0.59534204623520 0.75000000000000 15.999 > 3 28 O 0.65759940525397 0.59534204623520 0.75000000000000 15.999 > 3 29 O 0.09240059474602 0.90465795376480 0.00000000000000 15.999 > 4 30 O 0.59240059474603 0.90465795376480 0.00000000000000 15.999 > 4 31 O 0.09240059474602 0.90465795376480 0.50000000000000 15.999 > 4 32 O 0.59240059474603 0.90465795376480 0.50000000000000 15.999 > 4 *33 K 0.43075105224863 0.34781865904872 0.00000000000000 39.098 > 5 34 K 0.93075105224863 0.34781865904872 0.00000000000000 39.098 > 5 35 K 0.43075105224863 0.34781865904872 0.50000000000000 39.098 > 5 36 K 0.93075105224863 0.34781865904872 0.50000000000000 39.098 > 5 37 K 0.31924894775137 0.15218134095128 0.25000000000000 39.098 > 6 38 K 0.81924894775137 0.15218134095128 0.25000000000000 39.098 > 6 39 K 0.31924894775137 0.15218134095128 0.75000000000000 39.098 > 6 40 K 0.81924894775137 0.15218134095128 0.75000000000000 39.098 > 6 41 K 0.06924894775137 0.34781865904872 0.25000000000000 39.098 > 7 42 K 0.56924894775137 0.34781865904872 0.25000000000000 39.098 > 7 43 K 0.06924894775137 0.34781865904872 0.75000000000000 39.098 > 7 44 K 0.56924894775137 0.34781865904872 0.75000000000000 39.098 > 7 45 K 0.18075105224863 0.15218134095128 0.00000000000000 39.098 > 8 46 K 0.68075105224863 0.15218134095128 0.00000000000000 39.098 > 8 47 K 0.18075105224863 0.15218134095128 0.50000000000000 39.098 > 8 48 K 0.68075105224863 0.15218134095128 0.50000000000000 39.098 > 8 49 K 0.18075105224863 0.84781865904872 0.25000000000000 39.098 > 5 50 K 0.68075105224863 0.84781865904872 0.25000000000000 39.098 > 5 51 K 0.18075105224863 0.84781865904872 0.75000000000000 39.098 > 5 52 K 0.68075105224863 0.84781865904872 0.75000000000000 39.098 > 5 53 K 0.06924894775137 0.65218134095128 0.00000000000000 39.098 > 6 54 K 0.56924894775137 0.65218134095128 0.00000000000000 39.098 > 6 55 K 0.06924894775137 0.65218134095128 0.50000000000000 39.098 > 6 56 K 0.56924894775137 0.65218134095128 0.50000000000000 39.098 > 6 57 K 0.31924894775137 0.84781865904872 0.00000000000000 39.098 > 7 58 K 0.81924894775137 0.84781865904872 0.00000000000000 39.098 > 7 59 K 0.31924894775137 0.84781865904872 0.50000000000000 39.098 > 7 60 K 0.81924894775137 0.84781865904872 0.50000000000000 39.098 > 7 61 K 0.43075105224863 0.65218134095128 0.25000000000000 39.098 > 8 62 K 0.93075105224863 0.65218134095128 0.25000000000000 39.098 > 8 63 K 0.43075105224863 0.65218134095128 0.75000000000000 39.098 > 8 64 K 0.93075105224863 0.65218134095128 0.75000000000000 39.098 > 8 *65 Zn 0.00000000000000 0.00000000000000 0.37500000000000 65.380 > 9 66 Zn 0.50000000000000 0.00000000000000 0.37500000000000 65.380 > 9 67 Zn 0.00000000000000 0.00000000000000 0.87500000000000 65.380 > 9 68 Zn 0.50000000000000 0.00000000000000 0.87500000000000 65.380 > 9 69 Zn 0.00000000000000 0.00000000000000 0.12500000000000 65.380 > 10 70 Zn 0.50000000000000 0.00000000000000 0.12500000000000 65.380 > 10 71 Zn 0.00000000000000 0.00000000000000 0.62500000000000 65.380 > 10 72 Zn 0.50000000000000 0.00000000000000 0.62500000000000 65.380 > 10 73 Zn 0.25000000000000 0.50000000000000 0.12500000000000 65.380 > 9 74 Zn 0.75000000000000 0.50000000000000 0.12500000000000 65.380 > 9 75 Zn 0.25000000000000 0.50000000000000 0.62500000000000 65.380 > 9 76 Zn 0.75000000000000 0.50000000000000 0.62500000000000 65.380 > 9 77 Zn 0.25000000000000 0.50000000000000 0.37500000000000 65.380 > 10 78 Zn 0.75000000000000 0.50000000000000 0.37500000000000 65.380 > 10 79 Zn 0.25000000000000 0.50000000000000 0.87500000000000 65.380 > 10 80 Zn 0.75000000000000 0.50000000000000 0.87500000000000 65.380 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2957784 0.0000000 0.0000000 0.0000000 3.1724821 0.0000000 0.0000000 0.0000000 3.6386742 -------------------------- Born effective charges -------------------------- 1 O -1.8800729 -0.3776783 0.0000000 -0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 2 O -1.8800729 -0.3776783 0.0000000 -0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 3 O -1.8800729 0.3776783 0.0000000 0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 4 O -1.8800729 0.3776783 0.0000000 0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 5 K 1.1676426 -0.1403183 0.0000000 -0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 6 K 1.1676426 -0.1403183 0.0000000 -0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 7 K 1.1676426 0.1403183 0.0000000 0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 8 K 1.1676426 0.1403183 0.0000000 0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 9 Zn 1.4248606 0.0000000 0.0000000 0.0000000 1.2617737 0.0000000 0.0000000 0.0000000 2.3355883 10 Zn 1.4248606 0.0000000 0.0000000 0.0000000 1.2617737 0.0000000 0.0000000 0.0000000 2.3355883 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 536 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 131 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 67 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 65 Use standard eigh solver. Tree of FC basis block matrices: - (536, 523), data: False |-- (65, 65), data: True |-- (67, 67), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (131, 127), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 160 - Time: 0.308 Solver_block: 160 / 160 - Time: 0.198 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.522 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 536 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 131 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 91 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 67 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 65 Use standard eigh solver. Tree of FC basis block matrices: - (536, 523), data: False |-- (65, 65), data: True |-- (67, 67), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (91, 88), data: True |-- (131, 127), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:45:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.999502720000000 5.247624070000001 2.701367280000000 b 2.999502720000000 -5.247624070000001 2.701367280000000 c 2.999502720000000 5.247624070000001 -2.701367280000000 Atomic positions (fractional): 1 O 0.40465795376480 0.31519881050795 0.71985676427275 15.999 2 O 0.59534204623520 0.68480118949205 0.28014323572725 15.999 3 O 0.09534204623520 0.81519881050795 0.91054085674315 15.999 4 O 0.90465795376480 0.18480118949205 0.08945914325685 15.999 5 K 0.34781865904872 0.86150210449725 0.20932076354597 39.098 6 K 0.65218134095128 0.13849789550275 0.79067923645403 39.098 7 K 0.84781865904872 0.63849789550275 0.48631655455147 39.098 8 K 0.15218134095128 0.36150210449725 0.51368344544853 39.098 9 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 10 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.998010880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.495248140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.805469120000000 Atomic positions (fractional): 1 O 0.15759940525398 0.40465795376480 0.00000000000000 15.999 > 1 2 O 0.65759940525397 0.40465795376480 0.00000000000000 15.999 > 1 3 O 0.15759940525398 0.40465795376480 0.50000000000000 15.999 > 1 4 O 0.65759940525397 0.40465795376480 0.50000000000000 15.999 > 1 5 O 0.09240059474602 0.09534204623520 0.25000000000000 15.999 > 5 6 O 0.59240059474603 0.09534204623520 0.25000000000000 15.999 > 5 7 O 0.09240059474602 0.09534204623520 0.75000000000000 15.999 > 5 8 O 0.59240059474603 0.09534204623520 0.75000000000000 15.999 > 5 9 O 0.40759940525397 0.09534204623520 0.00000000000000 15.999 > 9 10 O 0.90759940525397 0.09534204623520 0.00000000000000 15.999 > 9 11 O 0.40759940525397 0.09534204623520 0.50000000000000 15.999 > 9 12 O 0.90759940525397 0.09534204623520 0.50000000000000 15.999 > 9 13 O 0.34240059474603 0.40465795376480 0.25000000000000 15.999 > 13 14 O 0.84240059474603 0.40465795376480 0.25000000000000 15.999 > 13 15 O 0.34240059474603 0.40465795376480 0.75000000000000 15.999 > 13 16 O 0.84240059474603 0.40465795376480 0.75000000000000 15.999 > 13 17 O 0.40759940525397 0.90465795376480 0.25000000000000 15.999 > 1 18 O 0.90759940525397 0.90465795376480 0.25000000000000 15.999 > 1 19 O 0.40759940525397 0.90465795376480 0.75000000000000 15.999 > 1 20 O 0.90759940525397 0.90465795376480 0.75000000000000 15.999 > 1 21 O 0.34240059474603 0.59534204623520 0.00000000000000 15.999 > 5 22 O 0.84240059474603 0.59534204623520 0.00000000000000 15.999 > 5 23 O 0.34240059474603 0.59534204623520 0.50000000000000 15.999 > 5 24 O 0.84240059474603 0.59534204623520 0.50000000000000 15.999 > 5 25 O 0.15759940525398 0.59534204623520 0.25000000000000 15.999 > 9 26 O 0.65759940525397 0.59534204623520 0.25000000000000 15.999 > 9 27 O 0.15759940525398 0.59534204623520 0.75000000000000 15.999 > 9 28 O 0.65759940525397 0.59534204623520 0.75000000000000 15.999 > 9 29 O 0.09240059474602 0.90465795376480 0.00000000000000 15.999 > 13 30 O 0.59240059474603 0.90465795376480 0.00000000000000 15.999 > 13 31 O 0.09240059474602 0.90465795376480 0.50000000000000 15.999 > 13 32 O 0.59240059474603 0.90465795376480 0.50000000000000 15.999 > 13 33 K 0.43075105224863 0.34781865904872 0.00000000000000 39.098 > 33 34 K 0.93075105224863 0.34781865904872 0.00000000000000 39.098 > 33 35 K 0.43075105224863 0.34781865904872 0.50000000000000 39.098 > 33 36 K 0.93075105224863 0.34781865904872 0.50000000000000 39.098 > 33 37 K 0.31924894775137 0.15218134095128 0.25000000000000 39.098 > 37 38 K 0.81924894775137 0.15218134095128 0.25000000000000 39.098 > 37 39 K 0.31924894775137 0.15218134095128 0.75000000000000 39.098 > 37 40 K 0.81924894775137 0.15218134095128 0.75000000000000 39.098 > 37 41 K 0.06924894775137 0.34781865904872 0.25000000000000 39.098 > 41 42 K 0.56924894775137 0.34781865904872 0.25000000000000 39.098 > 41 43 K 0.06924894775137 0.34781865904872 0.75000000000000 39.098 > 41 44 K 0.56924894775137 0.34781865904872 0.75000000000000 39.098 > 41 45 K 0.18075105224863 0.15218134095128 0.00000000000000 39.098 > 45 46 K 0.68075105224863 0.15218134095128 0.00000000000000 39.098 > 45 47 K 0.18075105224863 0.15218134095128 0.50000000000000 39.098 > 45 48 K 0.68075105224863 0.15218134095128 0.50000000000000 39.098 > 45 49 K 0.18075105224863 0.84781865904872 0.25000000000000 39.098 > 33 50 K 0.68075105224863 0.84781865904872 0.25000000000000 39.098 > 33 51 K 0.18075105224863 0.84781865904872 0.75000000000000 39.098 > 33 52 K 0.68075105224863 0.84781865904872 0.75000000000000 39.098 > 33 53 K 0.06924894775137 0.65218134095128 0.00000000000000 39.098 > 37 54 K 0.56924894775137 0.65218134095128 0.00000000000000 39.098 > 37 55 K 0.06924894775137 0.65218134095128 0.50000000000000 39.098 > 37 56 K 0.56924894775137 0.65218134095128 0.50000000000000 39.098 > 37 57 K 0.31924894775137 0.84781865904872 0.00000000000000 39.098 > 41 58 K 0.81924894775137 0.84781865904872 0.00000000000000 39.098 > 41 59 K 0.31924894775137 0.84781865904872 0.50000000000000 39.098 > 41 60 K 0.81924894775137 0.84781865904872 0.50000000000000 39.098 > 41 61 K 0.43075105224863 0.65218134095128 0.25000000000000 39.098 > 45 62 K 0.93075105224863 0.65218134095128 0.25000000000000 39.098 > 45 63 K 0.43075105224863 0.65218134095128 0.75000000000000 39.098 > 45 64 K 0.93075105224863 0.65218134095128 0.75000000000000 39.098 > 45 65 Zn 0.00000000000000 0.00000000000000 0.37500000000000 65.380 > 65 66 Zn 0.50000000000000 0.00000000000000 0.37500000000000 65.380 > 65 67 Zn 0.00000000000000 0.00000000000000 0.87500000000000 65.380 > 65 68 Zn 0.50000000000000 0.00000000000000 0.87500000000000 65.380 > 65 69 Zn 0.00000000000000 0.00000000000000 0.12500000000000 65.380 > 69 70 Zn 0.50000000000000 0.00000000000000 0.12500000000000 65.380 > 69 71 Zn 0.00000000000000 0.00000000000000 0.62500000000000 65.380 > 69 72 Zn 0.50000000000000 0.00000000000000 0.62500000000000 65.380 > 69 73 Zn 0.25000000000000 0.50000000000000 0.12500000000000 65.380 > 65 74 Zn 0.75000000000000 0.50000000000000 0.12500000000000 65.380 > 65 75 Zn 0.25000000000000 0.50000000000000 0.62500000000000 65.380 > 65 76 Zn 0.75000000000000 0.50000000000000 0.62500000000000 65.380 > 65 77 Zn 0.25000000000000 0.50000000000000 0.37500000000000 65.380 > 69 78 Zn 0.75000000000000 0.50000000000000 0.37500000000000 65.380 > 69 79 Zn 0.25000000000000 0.50000000000000 0.87500000000000 65.380 > 69 80 Zn 0.75000000000000 0.50000000000000 0.87500000000000 65.380 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2957784 0.0000000 0.0000000 0.0000000 3.1724821 0.0000000 0.0000000 0.0000000 3.6386742 -------------------------- Born effective charges -------------------------- 1 O -1.8800729 -0.3776783 0.0000000 -0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 2 O -1.8800729 -0.3776783 0.0000000 -0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 3 O -1.8800729 0.3776783 0.0000000 0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 4 O -1.8800729 0.3776783 0.0000000 0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 5 K 1.1676426 -0.1403183 0.0000000 -0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 6 K 1.1676426 -0.1403183 0.0000000 -0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 7 K 1.1676426 0.1403183 0.0000000 0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 8 K 1.1676426 0.1403183 0.0000000 0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 9 Zn 1.4248606 0.0000000 0.0000000 0.0000000 1.2617737 0.0000000 0.0000000 0.0000000 2.3355883 10 Zn 1.4248606 0.0000000 0.0000000 0.0000000 1.2617737 0.0000000 0.0000000 0.0000000 2.3355883 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xyx) -0.00000002 (xyx) -0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 22:45:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.999502720000000 5.247624070000001 2.701367280000000 b 2.999502720000000 -5.247624070000001 2.701367280000000 c 2.999502720000000 5.247624070000001 -2.701367280000000 Atomic positions (fractional): 1 O 0.40465795376480 0.31519881050795 0.71985676427275 15.999 2 O 0.59534204623520 0.68480118949205 0.28014323572725 15.999 3 O 0.09534204623520 0.81519881050795 0.91054085674315 15.999 4 O 0.90465795376480 0.18480118949205 0.08945914325685 15.999 5 K 0.34781865904872 0.86150210449725 0.20932076354597 39.098 6 K 0.65218134095128 0.13849789550275 0.79067923645403 39.098 7 K 0.84781865904872 0.63849789550275 0.48631655455147 39.098 8 K 0.15218134095128 0.36150210449725 0.51368344544853 39.098 9 Zn 0.75000000000000 0.75000000000000 0.00000000000000 65.380 10 Zn 0.25000000000000 0.25000000000000 0.00000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.998010880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.495248140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.805469120000000 Atomic positions (fractional): 1 O 0.15759940525398 0.40465795376480 0.00000000000000 15.999 > 1 2 O 0.65759940525397 0.40465795376480 0.00000000000000 15.999 > 1 3 O 0.15759940525398 0.40465795376480 0.50000000000000 15.999 > 1 4 O 0.65759940525397 0.40465795376480 0.50000000000000 15.999 > 1 5 O 0.09240059474602 0.09534204623520 0.25000000000000 15.999 > 5 6 O 0.59240059474603 0.09534204623520 0.25000000000000 15.999 > 5 7 O 0.09240059474602 0.09534204623520 0.75000000000000 15.999 > 5 8 O 0.59240059474603 0.09534204623520 0.75000000000000 15.999 > 5 9 O 0.40759940525397 0.09534204623520 0.00000000000000 15.999 > 9 10 O 0.90759940525397 0.09534204623520 0.00000000000000 15.999 > 9 11 O 0.40759940525397 0.09534204623520 0.50000000000000 15.999 > 9 12 O 0.90759940525397 0.09534204623520 0.50000000000000 15.999 > 9 13 O 0.34240059474603 0.40465795376480 0.25000000000000 15.999 > 13 14 O 0.84240059474603 0.40465795376480 0.25000000000000 15.999 > 13 15 O 0.34240059474603 0.40465795376480 0.75000000000000 15.999 > 13 16 O 0.84240059474603 0.40465795376480 0.75000000000000 15.999 > 13 17 O 0.40759940525397 0.90465795376480 0.25000000000000 15.999 > 1 18 O 0.90759940525397 0.90465795376480 0.25000000000000 15.999 > 1 19 O 0.40759940525397 0.90465795376480 0.75000000000000 15.999 > 1 20 O 0.90759940525397 0.90465795376480 0.75000000000000 15.999 > 1 21 O 0.34240059474603 0.59534204623520 0.00000000000000 15.999 > 5 22 O 0.84240059474603 0.59534204623520 0.00000000000000 15.999 > 5 23 O 0.34240059474603 0.59534204623520 0.50000000000000 15.999 > 5 24 O 0.84240059474603 0.59534204623520 0.50000000000000 15.999 > 5 25 O 0.15759940525398 0.59534204623520 0.25000000000000 15.999 > 9 26 O 0.65759940525397 0.59534204623520 0.25000000000000 15.999 > 9 27 O 0.15759940525398 0.59534204623520 0.75000000000000 15.999 > 9 28 O 0.65759940525397 0.59534204623520 0.75000000000000 15.999 > 9 29 O 0.09240059474602 0.90465795376480 0.00000000000000 15.999 > 13 30 O 0.59240059474603 0.90465795376480 0.00000000000000 15.999 > 13 31 O 0.09240059474602 0.90465795376480 0.50000000000000 15.999 > 13 32 O 0.59240059474603 0.90465795376480 0.50000000000000 15.999 > 13 33 K 0.43075105224863 0.34781865904872 0.00000000000000 39.098 > 33 34 K 0.93075105224863 0.34781865904872 0.00000000000000 39.098 > 33 35 K 0.43075105224863 0.34781865904872 0.50000000000000 39.098 > 33 36 K 0.93075105224863 0.34781865904872 0.50000000000000 39.098 > 33 37 K 0.31924894775137 0.15218134095128 0.25000000000000 39.098 > 37 38 K 0.81924894775137 0.15218134095128 0.25000000000000 39.098 > 37 39 K 0.31924894775137 0.15218134095128 0.75000000000000 39.098 > 37 40 K 0.81924894775137 0.15218134095128 0.75000000000000 39.098 > 37 41 K 0.06924894775137 0.34781865904872 0.25000000000000 39.098 > 41 42 K 0.56924894775137 0.34781865904872 0.25000000000000 39.098 > 41 43 K 0.06924894775137 0.34781865904872 0.75000000000000 39.098 > 41 44 K 0.56924894775137 0.34781865904872 0.75000000000000 39.098 > 41 45 K 0.18075105224863 0.15218134095128 0.00000000000000 39.098 > 45 46 K 0.68075105224863 0.15218134095128 0.00000000000000 39.098 > 45 47 K 0.18075105224863 0.15218134095128 0.50000000000000 39.098 > 45 48 K 0.68075105224863 0.15218134095128 0.50000000000000 39.098 > 45 49 K 0.18075105224863 0.84781865904872 0.25000000000000 39.098 > 33 50 K 0.68075105224863 0.84781865904872 0.25000000000000 39.098 > 33 51 K 0.18075105224863 0.84781865904872 0.75000000000000 39.098 > 33 52 K 0.68075105224863 0.84781865904872 0.75000000000000 39.098 > 33 53 K 0.06924894775137 0.65218134095128 0.00000000000000 39.098 > 37 54 K 0.56924894775137 0.65218134095128 0.00000000000000 39.098 > 37 55 K 0.06924894775137 0.65218134095128 0.50000000000000 39.098 > 37 56 K 0.56924894775137 0.65218134095128 0.50000000000000 39.098 > 37 57 K 0.31924894775137 0.84781865904872 0.00000000000000 39.098 > 41 58 K 0.81924894775137 0.84781865904872 0.00000000000000 39.098 > 41 59 K 0.31924894775137 0.84781865904872 0.50000000000000 39.098 > 41 60 K 0.81924894775137 0.84781865904872 0.50000000000000 39.098 > 41 61 K 0.43075105224863 0.65218134095128 0.25000000000000 39.098 > 45 62 K 0.93075105224863 0.65218134095128 0.25000000000000 39.098 > 45 63 K 0.43075105224863 0.65218134095128 0.75000000000000 39.098 > 45 64 K 0.93075105224863 0.65218134095128 0.75000000000000 39.098 > 45 65 Zn 0.00000000000000 0.00000000000000 0.37500000000000 65.380 > 65 66 Zn 0.50000000000000 0.00000000000000 0.37500000000000 65.380 > 65 67 Zn 0.00000000000000 0.00000000000000 0.87500000000000 65.380 > 65 68 Zn 0.50000000000000 0.00000000000000 0.87500000000000 65.380 > 65 69 Zn 0.00000000000000 0.00000000000000 0.12500000000000 65.380 > 69 70 Zn 0.50000000000000 0.00000000000000 0.12500000000000 65.380 > 69 71 Zn 0.00000000000000 0.00000000000000 0.62500000000000 65.380 > 69 72 Zn 0.50000000000000 0.00000000000000 0.62500000000000 65.380 > 69 73 Zn 0.25000000000000 0.50000000000000 0.12500000000000 65.380 > 65 74 Zn 0.75000000000000 0.50000000000000 0.12500000000000 65.380 > 65 75 Zn 0.25000000000000 0.50000000000000 0.62500000000000 65.380 > 65 76 Zn 0.75000000000000 0.50000000000000 0.62500000000000 65.380 > 65 77 Zn 0.25000000000000 0.50000000000000 0.37500000000000 65.380 > 69 78 Zn 0.75000000000000 0.50000000000000 0.37500000000000 65.380 > 69 79 Zn 0.25000000000000 0.50000000000000 0.87500000000000 65.380 > 69 80 Zn 0.75000000000000 0.50000000000000 0.87500000000000 65.380 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2957784 0.0000000 0.0000000 0.0000000 3.1724821 0.0000000 0.0000000 0.0000000 3.6386742 -------------------------- Born effective charges -------------------------- 1 O -1.8800729 -0.3776783 0.0000000 -0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 2 O -1.8800729 -0.3776783 0.0000000 -0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 3 O -1.8800729 0.3776783 0.0000000 0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 4 O -1.8800729 0.3776783 0.0000000 0.3796006 -1.8502346 0.0000000 0.0000000 0.0000000 -2.2416217 5 K 1.1676426 -0.1403183 0.0000000 -0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 6 K 1.1676426 -0.1403183 0.0000000 -0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 7 K 1.1676426 0.1403183 0.0000000 0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 8 K 1.1676426 0.1403183 0.0000000 0.0627612 1.2193477 0.0000000 0.0000000 0.0000000 1.0738276 9 Zn 1.4248606 0.0000000 0.0000000 0.0000000 1.2617737 0.0000000 0.0000000 0.0000000 2.3355883 10 Zn 1.4248606 0.0000000 0.0000000 0.0000000 1.2617737 0.0000000 0.0000000 0.0000000 2.3355883 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xyx) -0.00000002 (xyx) -0.00000002 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 1 720 ] Grid generation matrix: [ 0 8 8 ] [ 5 0 5 ] [ 9 9 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/135) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 12.615 ( 0.000 0.000 0.000) 0.000 13.816 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/135) ======================= q-point: ( 0.60 -0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 2.672 7.147 10.166) 12.711 1.796 ( -5.244 -0.973 8.605) 10.124 1.940 ( -10.208 1.772 4.775) 11.408 2.306 ( -8.048 -6.766 -0.293) 10.518 2.555 ( 9.175 -0.261 10.204) 13.725 2.773 ( 5.607 -0.348 30.447) 30.961 3.188 ( 3.010 -1.729 -1.613) 3.828 3.265 ( 2.519 1.397 -2.339) 3.711 3.569 ( 13.290 2.641 -5.065) 14.466 3.799 ( -10.034 -6.983 -9.481) 15.470 4.087 ( 7.658 0.509 -5.335) 9.347 4.337 ( -8.730 5.835 3.829) 11.176 4.834 ( 2.704 -1.235 -1.983) 3.573 5.154 ( 2.460 -1.564 5.194) 5.956 5.266 ( -0.252 6.026 -3.648) 7.048 5.450 ( 1.803 -0.395 5.212) 5.529 5.972 ( -5.247 -4.668 -0.207) 7.026 6.084 ( 0.353 -2.606 6.137) 6.677 7.103 ( -1.325 -1.000 -19.515) 19.585 7.226 ( -3.041 -3.610 -15.370) 16.079 7.341 ( -6.209 0.150 -15.137) 16.362 7.839 ( 2.894 4.738 -22.254) 22.936 10.214 ( -3.695 0.401 16.013) 16.438 10.526 ( -3.942 -0.333 7.371) 8.365 10.606 ( 1.563 -2.214 30.568) 30.688 11.347 ( 9.766 8.876 4.841) 14.057 12.659 ( -2.854 -10.028 -13.653) 17.179 12.770 ( 3.589 1.265 2.742) 4.690 14.099 ( 0.294 2.311 -4.005) 4.633 14.446 ( -1.166 -0.601 -5.942) 6.085 ======================= Grid point 2 (3/135) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.803 1.809 8.337) 12.995 1.684 ( 10.218 5.363 3.046) 11.935 2.137 ( 6.947 1.618 10.759) 12.908 2.542 ( -3.758 -4.626 -8.476) 10.362 2.765 ( -5.483 6.557 -6.669) 10.842 3.123 ( -6.804 -10.411 1.458) 12.522 3.328 ( 0.357 2.961 -2.063) 3.627 3.505 ( -3.787 1.284 6.279) 7.444 3.608 ( -12.077 1.759 0.538) 12.216 3.834 ( -17.938 -2.815 -0.815) 18.176 4.181 ( -1.213 0.091 -3.043) 3.277 4.598 ( 6.147 -6.550 8.921) 12.659 4.878 ( 4.267 6.511 14.091) 16.098 4.925 ( -6.995 1.972 -5.580) 9.162 5.487 ( 3.000 1.844 0.491) 3.555 5.560 ( 8.104 -3.062 8.341) 12.026 5.809 ( 2.368 0.629 -4.797) 5.386 6.006 ( 2.429 -1.226 -23.921) 24.075 6.491 ( -0.927 0.456 2.922) 3.099 6.676 ( 0.264 4.240 -11.164) 11.945 7.023 ( 2.266 0.409 -10.736) 10.980 7.146 ( -0.553 -4.545 9.096) 10.183 10.478 ( 10.446 0.237 2.486) 10.740 10.635 ( 7.557 -1.826 0.897) 7.827 11.248 ( 4.373 2.478 7.441) 8.979 11.696 ( -7.007 -5.567 7.155) 11.457 12.458 ( -8.169 9.564 -12.307) 17.598 13.115 ( -17.972 -8.931 -0.901) 20.089 14.013 ( 3.095 0.868 4.855) 5.823 14.075 ( 4.827 1.644 -5.527) 7.520 ======================= Grid point 3 (4/135) ======================= q-point: (-0.20 -0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -7.023 -5.471 -14.449) 16.971 1.355 ( -11.894 -16.057 -7.088) 21.203 1.819 ( -4.262 -1.591 -5.232) 6.933 2.683 ( 5.131 0.171 -16.878) 17.642 2.982 ( -2.426 2.496 8.451) 9.140 3.144 ( 6.615 0.403 -3.446) 7.470 3.278 ( -0.378 -0.118 0.602) 0.721 3.513 ( -0.352 4.218 -6.934) 8.123 3.625 ( 7.153 -2.526 -8.756) 11.585 4.177 ( -0.965 10.296 4.143) 11.140 4.279 ( 16.065 5.512 1.810) 17.081 4.533 ( 8.983 -1.935 -8.183) 12.304 4.650 ( 0.198 -4.024 1.773) 4.402 5.032 ( -6.560 -0.996 0.557) 6.658 5.211 ( -2.618 -4.149 -2.388) 5.456 5.467 ( -10.340 1.420 3.845) 11.123 5.863 ( 2.355 2.427 2.170) 4.018 6.351 ( 0.527 1.423 2.118) 2.605 6.632 ( -0.596 -0.265 16.899) 16.911 6.880 ( -0.919 2.104 4.006) 4.618 6.996 ( -1.593 -5.662 7.793) 9.764 7.257 ( -3.454 0.625 16.372) 16.744 10.190 ( -6.883 -0.989 -6.237) 9.341 10.478 ( -4.146 1.585 -1.160) 4.588 11.083 ( 0.252 -1.087 -6.149) 6.249 11.657 ( 6.573 5.500 -10.427) 13.497 12.755 ( 3.801 -7.498 3.913) 9.273 13.477 ( 13.400 10.870 1.627) 17.331 13.871 ( -3.874 -1.650 -1.242) 4.390 14.120 ( -3.370 -1.874 7.111) 8.089 ======================= Grid point 4 (5/135) ======================= q-point: ( 0.39 -0.51 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -2.332 -0.731 -9.207) 9.526 1.841 ( 1.405 -1.717 -15.336) 15.495 1.905 ( -6.136 1.237 -5.020) 8.024 2.005 ( 0.140 -1.347 -16.872) 16.926 2.158 ( 7.291 -2.005 -6.802) 10.170 2.630 ( 3.218 1.660 1.393) 3.879 3.138 ( 1.194 -2.979 -1.761) 3.661 3.320 ( -4.836 5.762 8.007) 10.987 3.467 ( -2.302 -0.772 2.546) 3.518 4.085 ( -1.745 3.614 -0.445) 4.038 4.253 ( 3.798 0.194 14.052) 14.557 4.344 ( 1.768 2.832 0.059) 3.339 4.693 ( -5.323 -3.752 -3.395) 7.345 5.039 ( 1.549 -2.345 -9.524) 9.930 5.249 ( -0.646 1.290 0.632) 1.575 5.457 ( 0.995 -2.466 3.219) 4.175 6.008 ( 1.858 -0.336 -1.970) 2.729 6.018 ( 1.129 1.838 -1.401) 2.572 7.349 ( 0.283 1.100 6.053) 6.159 7.616 ( 0.421 3.433 14.751) 15.151 7.720 ( 0.604 -3.181 12.246) 12.666 8.318 ( -0.811 -1.440 25.030) 25.085 9.888 ( 1.107 -0.825 -19.361) 19.410 9.957 ( 0.103 0.340 -25.820) 25.822 10.453 ( 0.272 0.031 -4.317) 4.326 11.094 ( -4.267 -2.632 -3.259) 5.979 12.657 ( -0.481 -0.056 -3.451) 3.485 13.032 ( 4.900 2.017 9.673) 11.029 14.144 ( -1.602 -0.880 2.855) 3.390 14.552 ( -0.429 1.314 3.540) 3.800 ======================= Grid point 5 (6/135) ======================= q-point: (-0.01 0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 22.193 -0.000 8.434) 23.742 0.672 ( 18.142 -0.000 12.797) 22.201 1.237 ( 24.042 0.000 33.263) 41.042 1.788 ( 7.019 -0.000 -0.962) 7.084 2.716 ( -32.297 0.000 38.066) 49.921 2.967 ( -7.065 0.000 1.866) 7.307 3.260 ( 7.131 -0.000 0.850) 7.181 3.502 ( -15.377 0.000 -2.647) 15.603 3.842 ( -3.392 -0.000 -10.038) 10.596 4.167 ( -1.233 0.000 2.176) 2.501 4.284 ( 4.866 -0.000 3.219) 5.834 4.340 ( -10.700 0.000 2.066) 10.898 4.996 ( 9.838 -0.000 1.184) 9.909 5.004 ( -6.210 -0.000 -15.046) 16.277 5.233 ( -5.441 0.000 -2.728) 6.086 5.710 ( -7.169 0.000 8.264) 10.940 5.853 ( 25.293 -0.000 -21.247) 33.033 6.118 ( 4.437 -0.000 2.327) 5.010 7.172 ( 10.083 -0.000 -9.029) 13.535 7.183 ( 0.637 -0.000 -5.764) 5.799 7.656 ( 0.543 -0.000 -14.218) 14.228 8.076 ( 10.166 -0.000 -22.891) 25.047 9.839 ( 1.427 0.000 8.297) 8.419 10.395 ( 1.156 0.000 2.452) 2.711 10.849 ( -34.630 0.000 43.935) 55.942 10.979 ( -1.169 0.000 1.110) 1.611 12.659 ( -0.510 0.000 3.943) 3.976 13.740 ( -10.909 0.000 -1.832) 11.062 13.831 ( 3.231 -0.000 -1.705) 3.653 14.311 ( 3.004 -0.000 -2.746) 4.070 ======================= Grid point 6 (7/135) ======================= q-point: ( 0.59 -0.26 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -9.525 6.828 5.750) 13.054 1.804 ( -5.351 0.946 -0.357) 5.446 2.010 ( -0.484 0.901 8.986) 9.044 2.349 ( 7.807 -6.586 12.579) 16.204 2.791 ( -0.631 -0.606 -6.841) 6.897 3.103 ( 4.078 1.344 -3.099) 5.296 3.305 ( 3.605 -2.454 5.079) 6.694 3.499 ( -0.657 1.276 7.327) 7.467 3.574 ( 9.248 -3.387 8.751) 13.175 3.789 ( 15.027 -2.364 -6.107) 16.392 4.130 ( -9.503 8.563 4.420) 13.534 4.373 ( 7.011 1.376 9.609) 11.974 4.704 ( -3.199 -3.903 -6.212) 8.004 5.216 ( -2.393 1.036 -0.272) 2.622 5.325 ( 2.604 2.103 3.992) 5.210 5.559 ( -1.456 2.455 3.670) 4.649 5.777 ( -8.613 -6.621 -3.723) 11.483 6.245 ( -0.442 -3.349 7.719) 8.426 6.567 ( -0.142 -2.215 -26.119) 26.213 6.868 ( -3.980 -2.006 -10.653) 11.548 6.973 ( -4.450 -4.154 -8.490) 10.447 7.547 ( 4.586 9.496 -15.604) 18.833 10.375 ( -6.260 0.025 9.559) 11.427 10.512 ( -7.733 -1.011 3.645) 8.608 11.191 ( 1.977 4.823 20.542) 21.193 11.504 ( -1.701 2.552 -0.764) 3.161 12.584 ( 15.861 -15.475 -4.104) 22.536 12.941 ( 8.285 6.243 1.750) 10.521 13.991 ( -4.395 0.522 -1.880) 4.809 14.267 ( -3.172 0.172 -6.758) 7.468 ======================= Grid point 7 (8/135) ======================= q-point: ( 0.19 0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 4.430 -1.369 -1.563) 4.893 1.902 ( 8.510 0.598 6.234) 10.566 2.208 ( 1.840 -0.423 -9.627) 9.810 2.335 ( -4.607 1.064 -5.809) 7.490 2.746 ( 7.416 0.849 3.812) 8.382 3.073 ( 2.092 -3.679 2.712) 5.026 3.286 ( -12.729 0.933 -8.499) 15.333 3.296 ( -5.811 2.966 4.647) 8.010 3.398 ( -7.775 0.578 0.099) 7.797 3.549 ( -9.056 -2.568 2.437) 9.723 4.268 ( 6.242 5.261 5.965) 10.111 4.543 ( -7.899 6.513 -11.253) 15.213 4.743 ( 2.106 -7.030 -9.816) 12.256 5.191 ( -4.722 -8.058 7.957) 12.269 5.499 ( 4.158 0.700 -7.717) 8.794 5.691 ( 4.136 7.690 5.092) 10.108 5.793 ( 2.857 -1.856 -8.341) 9.010 6.042 ( 3.621 -1.251 20.447) 20.803 6.445 ( 1.187 3.078 -11.273) 11.745 6.647 ( 2.423 3.249 9.129) 9.988 6.972 ( 4.140 -0.986 0.061) 4.257 7.270 ( -6.045 -3.946 10.906) 13.079 10.644 ( 6.316 -3.502 -4.131) 8.320 10.766 ( 5.350 -1.015 -2.634) 6.049 11.452 ( -0.646 -2.245 -1.112) 2.587 11.818 ( 7.774 3.435 11.923) 14.642 11.940 ( -7.719 7.110 -20.387) 22.929 12.773 ( -16.342 -6.180 4.887) 18.143 14.078 ( 2.587 0.313 -2.368) 3.521 14.172 ( 1.560 1.254 5.466) 5.821 ======================= Grid point 8 (9/135) ======================= q-point: (-0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 -11.602 -13.590) 17.869 1.002 ( -0.000 -28.398 -9.328) 29.891 1.729 ( -0.000 -1.638 -0.878) 1.859 2.019 ( 0.000 -7.829 -40.753) 41.498 2.972 ( 0.000 3.393 -1.594) 3.749 3.223 ( 0.000 6.457 -4.590) 7.922 3.359 ( 0.000 8.438 -9.723) 12.874 3.506 ( -0.000 -1.585 19.054) 19.119 3.622 ( 0.000 10.164 -2.915) 10.574 4.094 ( 0.000 1.500 -1.209) 1.927 4.438 ( 0.000 0.976 -9.436) 9.487 4.655 ( 0.000 4.144 -0.834) 4.227 4.721 ( 0.000 3.521 3.879) 5.239 4.897 ( -0.000 -6.444 2.288) 6.838 5.263 ( 0.000 1.757 -1.362) 2.223 5.313 ( -0.000 -4.018 4.974) 6.394 5.977 ( 0.000 1.493 3.701) 3.991 6.144 ( 0.000 2.141 -15.860) 16.004 6.826 ( -0.000 -0.446 12.501) 12.509 7.228 ( -0.000 3.144 22.552) 22.771 7.242 ( -0.000 -16.230 10.386) 19.269 7.551 ( 0.000 4.812 17.291) 17.948 9.973 ( 0.000 0.315 -7.982) 7.988 10.415 ( 0.000 1.150 -1.598) 1.969 10.934 ( 0.000 7.533 -10.356) 12.806 11.555 ( 0.000 2.323 -6.998) 7.373 12.783 ( -0.000 -3.882 -3.811) 5.440 13.760 ( 0.000 7.682 4.764) 9.040 13.763 ( 0.000 0.762 0.513) 0.918 14.216 ( -0.000 -1.866 5.422) 5.734 ======================= Grid point 9 (10/135) ======================= q-point: ( 0.39 -0.39 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -10.100 3.434 0.000) 10.668 1.453 ( -17.831 3.810 0.000) 18.233 1.609 ( 7.665 2.163 -0.000) 7.964 2.026 ( -6.213 -6.560 0.000) 9.036 2.388 ( 14.432 -5.797 -0.000) 15.552 2.558 ( -4.446 -3.969 0.000) 5.960 3.201 ( -4.377 12.833 0.000) 13.559 3.342 ( 8.184 -0.624 -0.000) 8.208 3.589 ( 10.715 3.263 -0.000) 11.201 3.857 ( -12.120 5.242 0.000) 13.205 4.266 ( -10.021 -8.426 0.000) 13.092 4.683 ( 12.294 5.876 -0.000) 13.626 4.703 ( 8.312 -6.754 -0.000) 10.710 4.792 ( -6.224 2.520 0.000) 6.715 5.356 ( 5.538 -2.995 -0.000) 6.296 5.444 ( -4.479 1.311 0.000) 4.667 5.989 ( -2.664 -2.328 0.000) 3.538 6.087 ( 6.805 -3.608 -0.000) 7.702 7.404 ( -1.093 0.474 0.000) 1.192 7.732 ( -5.085 2.529 0.000) 5.679 7.821 ( -3.274 -4.280 0.000) 5.388 8.631 ( -1.470 -1.548 0.000) 2.134 9.619 ( 0.385 1.432 -0.000) 1.483 9.674 ( -0.138 -2.292 0.000) 2.296 10.399 ( -0.930 -0.344 0.000) 0.991 11.072 ( 5.303 6.458 -0.000) 8.356 12.617 ( 0.466 0.641 -0.000) 0.793 13.170 ( -1.069 -8.240 0.000) 8.309 14.169 ( 0.902 2.719 -0.000) 2.865 14.572 ( -1.306 2.388 0.000) 2.722 ======================= Grid point 10 (11/135) ======================= q-point: (-0.01 0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 14.963 -0.000 9.393) 17.667 1.254 ( 20.314 -0.000 9.163) 22.285 1.909 ( 7.140 -0.000 -1.681) 7.335 2.257 ( 13.664 0.000 22.736) 26.526 2.829 ( -11.241 0.000 9.681) 14.835 3.003 ( -9.015 0.000 27.904) 29.324 3.065 ( -13.466 0.000 -6.373) 14.898 3.463 ( 12.178 -0.000 -0.699) 12.198 3.588 ( -5.504 -0.000 -7.195) 9.059 3.843 ( -21.885 0.000 0.611) 21.894 4.277 ( -6.328 -0.000 -7.242) 9.618 4.508 ( 10.456 -0.000 5.231) 11.692 4.549 ( -11.638 0.000 -7.653) 13.928 5.061 ( -1.516 -0.000 -2.790) 3.175 5.188 ( 3.094 0.000 4.217) 5.231 5.805 ( -0.035 0.000 5.496) 5.496 5.850 ( 5.835 -0.000 -10.198) 11.749 6.233 ( -1.541 0.000 6.129) 6.320 7.052 ( 2.085 -0.000 -9.286) 9.517 7.122 ( 5.538 -0.000 -18.263) 19.084 7.323 ( 5.161 -0.000 -17.435) 18.183 7.735 ( 3.442 -0.000 -22.552) 22.813 10.145 ( 6.271 0.000 12.934) 14.374 10.512 ( 3.159 0.000 4.631) 5.606 11.017 ( 1.201 0.000 3.330) 3.540 11.051 ( -16.828 0.000 26.797) 31.643 12.701 ( -1.261 0.000 0.495) 1.354 13.372 ( -15.729 0.000 -6.531) 17.031 13.890 ( 5.113 -0.000 -0.878) 5.188 14.296 ( 3.370 -0.000 -5.180) 6.180 ======================= Grid point 11 (12/135) ======================= q-point: ( 0.58 -0.14 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -5.802 -2.377 5.585) 8.397 1.663 ( -3.338 0.751 -4.913) 5.987 2.210 ( 0.280 3.068 11.061) 11.482 2.417 ( -3.535 -3.014 -14.319) 15.054 2.888 ( 11.623 -6.815 10.696) 17.203 3.162 ( 7.456 4.749 -2.534) 9.196 3.388 ( -2.601 -6.092 0.756) 6.667 3.579 ( -0.904 12.545 0.230) 12.579 3.903 ( 7.513 -3.630 -2.842) 8.815 3.932 ( 7.262 2.594 1.314) 7.823 4.257 ( 3.510 3.559 15.039) 15.848 4.458 ( 2.842 -0.220 -9.404) 9.827 4.800 ( -1.358 -5.404 12.715) 13.882 5.028 ( -11.254 -2.668 -4.253) 12.323 5.410 ( -1.884 0.494 3.848) 4.313 5.544 ( -3.028 6.870 1.382) 7.634 5.614 ( -2.805 -5.454 3.924) 7.281 5.940 ( -0.654 -0.711 -23.509) 23.529 6.550 ( 4.225 -4.243 9.577) 11.294 6.684 ( 1.648 -3.241 -5.999) 7.015 6.837 ( -4.775 -5.772 5.413) 9.242 7.296 ( 1.255 12.488 -16.225) 20.513 10.361 ( -5.612 -1.809 1.419) 6.065 10.388 ( -7.523 0.921 2.290) 7.917 11.401 ( -0.939 -7.340 -3.273) 8.092 11.525 ( 2.212 13.263 7.680) 15.485 12.905 ( 13.222 -17.217 -0.593) 21.716 13.172 ( 8.853 11.186 2.484) 14.480 13.889 ( -5.916 -2.097 4.280) 7.597 14.055 ( -3.427 1.792 -6.863) 7.878 ======================= Grid point 12 (13/135) ======================= q-point: ( 0.18 -0.52 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -4.464 -4.585 -8.740) 10.832 1.949 ( -3.818 5.444 -4.792) 8.196 2.169 ( 2.626 -3.815 -1.718) 4.940 2.408 ( 11.115 0.873 -1.048) 11.198 2.711 ( -1.273 -2.942 -8.560) 9.140 2.973 ( -6.867 6.644 -2.128) 9.789 3.192 ( -1.915 -3.891 -1.214) 4.504 3.300 ( 1.191 -1.108 0.458) 1.690 3.310 ( 3.685 -3.305 0.876) 5.027 3.656 ( 4.434 5.700 10.849) 13.033 4.078 ( -0.477 -0.143 -15.436) 15.444 4.412 ( -8.945 3.798 -8.229) 12.734 4.644 ( 6.037 5.180 8.262) 11.469 5.097 ( -7.976 -4.278 -0.914) 9.097 5.514 ( 5.346 -9.374 1.000) 10.837 5.587 ( -3.060 -0.187 -10.392) 10.835 5.922 ( 3.363 7.517 2.606) 8.637 6.254 ( 2.405 0.565 -8.676) 9.021 6.609 ( 1.199 -0.986 27.250) 27.294 6.932 ( 1.609 4.367 11.782) 12.668 7.169 ( 2.421 -1.809 10.675) 11.095 7.418 ( -4.837 -2.745 16.635) 17.540 10.582 ( 1.451 -4.829 -10.295) 11.464 10.716 ( -0.473 -1.306 -6.385) 6.535 11.198 ( 2.106 4.515 -24.319) 24.824 11.377 ( -10.388 1.255 -9.293) 13.994 12.399 ( 16.137 -0.815 14.157) 21.482 12.676 ( -5.458 -1.436 6.416) 8.544 14.064 ( -1.687 -0.504 -0.014) 1.761 14.297 ( -0.574 1.948 5.785) 6.131 ======================= Grid point 13 (14/135) ======================= q-point: (-0.22 0.11 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 11.724 -11.895 -7.775) 18.423 0.908 ( 8.381 -10.069 -24.409) 27.703 1.470 ( 24.165 -23.565 -17.270) 37.915 1.774 ( 4.996 1.934 -1.603) 5.591 2.586 ( -21.769 9.978 -35.696) 42.984 2.893 ( -4.407 6.831 -3.203) 8.737 3.263 ( 8.916 -0.613 -0.180) 8.939 3.465 ( -13.085 3.971 1.705) 13.780 3.834 ( -4.436 1.289 11.168) 12.086 4.114 ( 2.063 4.283 -1.783) 5.078 4.284 ( -16.567 1.180 -4.942) 17.329 4.371 ( 4.952 -3.029 0.115) 5.806 4.840 ( 1.653 6.337 8.294) 10.568 5.108 ( 4.609 -3.874 2.731) 6.611 5.213 ( -4.219 1.755 -0.586) 4.607 5.636 ( 11.877 11.154 1.571) 16.369 5.753 ( 1.093 -1.811 -3.941) 4.473 6.218 ( 5.204 -2.363 6.426) 8.600 7.165 ( 5.799 -0.833 10.484) 12.010 7.362 ( -3.770 -12.880 9.078) 16.203 7.627 ( 0.915 2.886 13.963) 14.287 8.053 ( 10.899 1.516 22.395) 24.953 9.823 ( 1.527 1.593 -8.824) 9.095 10.388 ( 1.162 0.777 -2.313) 2.703 10.431 ( -9.870 20.998 -38.628) 45.060 11.264 ( -12.278 -11.901 -5.748) 18.039 12.674 ( -0.700 -1.505 -4.442) 4.742 13.492 ( -10.861 12.115 -0.653) 16.284 14.025 ( 3.013 -6.159 5.984) 9.101 14.344 ( 3.473 -3.215 3.354) 5.801 ======================= Grid point 14 (15/135) ======================= q-point: ( 0.38 -0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -5.678 9.274 15.448) 18.891 1.249 ( -12.352 6.990 15.024) 20.667 1.822 ( -8.686 -6.543 5.444) 12.161 2.120 ( 4.316 -0.253 11.483) 12.270 2.291 ( -5.642 1.680 13.161) 14.417 2.758 ( 3.947 1.249 3.583) 5.475 3.167 ( 8.475 4.927 -0.939) 9.848 3.544 ( 2.328 -3.550 -4.259) 6.013 3.615 ( -5.797 1.803 1.151) 6.179 3.889 ( 17.714 3.261 -0.336) 18.015 4.089 ( -7.130 -7.833 1.358) 10.679 4.455 ( 1.678 -1.679 -12.291) 12.518 4.829 ( -0.783 2.982 -0.217) 3.090 5.070 ( 6.337 -0.828 6.954) 9.444 5.264 ( -3.232 3.626 -4.010) 6.299 5.508 ( 0.937 -6.929 3.783) 7.950 5.889 ( -7.003 -1.980 0.688) 7.310 6.193 ( 3.830 -4.641 -3.111) 6.774 7.307 ( -2.294 2.407 -7.244) 7.970 7.461 ( -5.338 0.273 -11.258) 12.463 7.602 ( -2.760 -3.936 -13.454) 14.287 8.232 ( -4.517 2.585 -23.885) 24.445 9.825 ( -2.364 -2.404 13.378) 13.797 10.078 ( 4.018 -4.755 32.173) 32.770 10.405 ( -1.962 -0.985 3.020) 3.734 11.274 ( 9.586 11.805 2.633) 15.433 12.685 ( 1.405 1.810 4.582) 5.123 13.097 ( 3.170 -13.149 -4.593) 14.284 14.139 ( -0.531 2.991 -4.384) 5.333 14.487 ( -3.078 2.837 -4.037) 5.816 ======================= Grid point 15 (16/135) ======================= q-point: (-0.02 0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 9.372 -0.000 7.216) 11.828 1.707 ( 9.108 -0.000 3.745) 9.848 2.126 ( 9.223 -0.000 7.038) 11.601 2.571 ( -3.635 0.000 -0.683) 3.699 2.765 ( -3.273 -0.000 -4.268) 5.378 2.878 ( -5.312 0.000 13.905) 14.885 3.273 ( -7.714 0.000 -6.120) 9.847 3.368 ( -4.324 0.000 8.029) 9.119 3.530 ( -9.461 0.000 0.155) 9.462 3.625 ( 2.808 -0.000 -8.008) 8.486 4.158 ( -8.118 0.000 8.515) 11.765 4.213 ( 1.836 0.000 8.396) 8.594 4.732 ( -4.356 0.000 -1.128) 4.500 4.966 ( 5.936 -0.000 -0.164) 5.938 5.468 ( 6.776 0.000 8.252) 10.677 5.725 ( -0.353 -0.000 -5.149) 5.161 5.855 ( -0.849 0.000 -0.439) 0.956 6.312 ( -2.783 0.000 5.694) 6.337 6.640 ( -0.522 -0.000 -26.409) 26.414 6.885 ( 1.562 -0.000 -11.289) 11.397 7.193 ( 2.202 -0.000 -7.799) 8.104 7.366 ( 2.634 -0.000 -17.443) 17.640 10.568 ( 7.855 0.000 11.291) 13.754 10.701 ( 3.377 0.000 5.976) 6.864 11.186 ( 5.850 -0.000 5.890) 8.301 11.241 ( -8.891 0.000 18.662) 20.672 12.606 ( 1.203 -0.000 -8.678) 8.761 12.841 ( -20.871 0.000 -6.887) 21.978 13.999 ( 4.127 -0.000 1.497) 4.390 14.244 ( 2.404 -0.000 -5.527) 6.027 ======================= Grid point 16 (17/135) ======================= q-point: (-0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 -2.964 -10.562) 10.970 1.554 ( -0.000 -7.780 2.492) 8.169 2.071 ( -0.000 -8.087 -13.229) 15.505 2.500 ( 0.000 6.126 14.915) 16.124 3.177 ( -0.000 -4.355 2.648) 5.096 3.241 ( -0.000 -5.124 -10.346) 11.546 3.307 ( 0.000 6.860 3.241) 7.588 3.432 ( 0.000 6.984 -7.196) 10.028 3.931 ( 0.000 0.770 1.256) 1.473 4.126 ( 0.000 3.141 3.639) 4.807 4.210 ( 0.000 -1.517 -15.367) 15.441 4.661 ( 0.000 6.055 8.946) 10.802 4.802 ( -0.000 -4.376 -0.421) 4.397 4.841 ( -0.000 -1.784 0.271) 1.805 5.375 ( -0.000 -5.571 -2.822) 6.245 5.389 ( 0.000 0.849 -12.447) 12.476 5.714 ( 0.000 6.391 2.414) 6.831 5.932 ( -0.000 -0.488 25.125) 25.130 6.616 ( -0.000 -3.727 -1.892) 4.179 6.805 ( 0.000 7.284 3.530) 8.094 6.957 ( 0.000 10.433 -11.574) 15.582 7.011 ( -0.000 -15.732 15.635) 22.180 10.248 ( -0.000 -2.826 -3.864) 4.787 10.367 ( 0.000 2.935 2.039) 3.574 11.319 ( -0.000 -9.746 -5.280) 11.084 11.611 ( 0.000 13.943 -0.764) 13.964 13.020 ( -0.000 -15.271 -0.903) 15.298 13.356 ( 0.000 13.214 4.166) 13.855 13.863 ( 0.000 2.847 -6.657) 7.240 13.961 ( -0.000 -2.668 7.949) 8.385 ======================= Grid point 17 (18/135) ======================= q-point: ( 0.18 -0.40 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -8.171 -3.600 -10.707) 13.941 1.740 ( -11.376 7.081 -9.046) 16.167 1.988 ( -3.799 -4.820 -0.466) 6.155 2.495 ( -5.191 -1.695 -8.128) 9.792 2.631 ( 5.176 -1.911 -6.029) 8.172 2.802 ( 12.095 -0.690 -15.183) 19.424 2.963 ( -3.338 6.753 -14.144) 16.024 3.369 ( 8.974 -2.836 2.927) 9.856 3.503 ( 11.009 -1.129 1.433) 11.159 3.777 ( -11.941 4.542 3.028) 13.129 4.100 ( 6.684 -1.321 10.541) 12.551 4.312 ( 3.650 -0.357 3.992) 5.420 4.713 ( -2.183 2.605 -4.206) 5.407 5.068 ( 0.092 3.154 7.029) 7.705 5.275 ( -4.171 0.046 -10.515) 11.312 5.665 ( 4.219 -9.794 0.828) 10.696 5.961 ( -1.475 4.450 1.245) 4.850 6.171 ( 3.520 -0.995 -5.213) 6.369 7.125 ( -1.260 1.176 12.150) 12.272 7.175 ( -1.408 1.408 20.933) 21.028 7.427 ( -4.297 -1.630 15.139) 15.821 7.780 ( -2.301 -1.239 24.091) 24.233 10.256 ( -4.594 -1.464 -16.389) 17.084 10.549 ( -1.312 -1.405 -6.997) 7.256 10.713 ( 6.923 -2.484 -28.801) 29.725 11.123 ( -1.085 3.438 -5.998) 6.998 12.693 ( 0.153 0.515 0.121) 0.551 12.988 ( 12.355 -4.844 11.351) 17.463 14.025 ( -3.538 1.669 2.374) 4.576 14.384 ( -2.265 2.503 5.406) 6.373 ======================= Grid point 18 (19/135) ======================= q-point: (-0.23 0.23 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 13.301 -3.891 -0.000) 13.858 1.004 ( 21.549 -0.980 -0.000) 21.571 1.726 ( -4.150 2.546 0.000) 4.869 1.999 ( 4.144 0.341 -0.000) 4.158 2.012 ( 32.942 -16.945 -0.000) 37.045 2.732 ( -7.255 2.793 0.000) 7.774 3.143 ( -18.282 0.983 0.000) 18.308 3.501 ( 12.563 -2.751 -0.000) 12.861 3.735 ( -14.948 3.918 0.000) 15.453 3.826 ( -16.211 -2.277 0.000) 16.370 4.241 ( 8.433 9.702 -0.000) 12.855 4.544 ( 8.898 -5.490 -0.000) 10.455 4.911 ( -15.791 -0.600 0.000) 15.802 4.986 ( -5.545 6.149 0.000) 8.280 5.269 ( 7.860 -3.010 -0.000) 8.416 5.507 ( -4.115 1.066 0.000) 4.251 5.998 ( 5.277 8.327 -0.000) 9.858 6.294 ( -7.241 -0.223 0.000) 7.245 7.348 ( 3.005 -0.516 -0.000) 3.049 7.555 ( 7.691 -3.097 -0.000) 8.291 7.814 ( 2.572 2.258 -0.000) 3.423 8.652 ( 3.156 6.137 -0.000) 6.901 9.603 ( -0.476 -1.029 0.000) 1.134 9.720 ( -0.058 2.051 -0.000) 2.052 10.383 ( 1.130 0.375 -0.000) 1.191 11.036 ( -5.065 -8.685 0.000) 10.054 12.612 ( -0.443 -0.752 0.000) 0.873 13.398 ( -2.807 13.382 0.000) 13.673 14.092 ( -0.513 -8.039 0.000) 8.055 14.455 ( 3.238 -3.976 -0.000) 5.128 ======================= Grid point 19 (20/135) ======================= q-point: ( 0.37 -0.15 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -6.248 13.113 7.920) 16.544 1.509 ( -5.996 10.113 12.609) 17.239 1.790 ( -1.905 1.700 2.608) 3.649 2.238 ( 1.171 7.614 21.639) 22.970 2.877 ( 0.772 -4.234 4.285) 6.074 3.030 ( 6.668 -5.410 27.494) 28.803 3.264 ( -8.847 -1.625 0.793) 9.030 3.340 ( 8.128 0.631 -5.967) 10.103 3.572 ( -0.919 -1.151 -6.392) 6.560 4.013 ( -1.970 -10.695 0.010) 10.875 4.281 ( 18.709 -0.754 -2.374) 18.874 4.438 ( 7.474 2.175 2.754) 8.257 4.725 ( -4.778 1.150 -1.834) 5.245 5.084 ( -5.281 0.613 -2.905) 6.059 5.265 ( -0.613 2.313 2.596) 3.531 5.484 ( -6.620 -2.388 -0.790) 7.081 5.835 ( 1.864 -2.817 -0.409) 3.402 6.166 ( -3.359 -4.388 5.466) 7.773 6.930 ( -7.586 1.013 -12.364) 14.541 7.147 ( 0.620 -3.858 -22.401) 22.739 7.322 ( 5.106 -1.278 -12.814) 13.853 7.691 ( -4.671 10.556 -17.580) 21.031 10.012 ( -4.646 -1.000 11.323) 12.280 10.406 ( -2.289 -2.231 1.858) 3.697 10.777 ( 2.830 -4.606 23.272) 23.892 11.478 ( 3.633 2.100 2.536) 4.903 12.844 ( 2.356 4.636 6.146) 8.051 13.260 ( 17.289 -11.956 -1.799) 21.097 13.946 ( -7.661 0.269 -5.478) 9.422 14.300 ( -3.609 2.333 -6.006) 7.385 ======================= Grid point 20 (21/135) ======================= q-point: (-0.03 0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 3.157 -0.000 3.008) 4.360 1.927 ( 2.830 -0.000 2.704) 3.914 2.288 ( -1.384 0.000 3.691) 3.942 2.362 ( -7.601 0.000 -2.696) 8.065 2.919 ( -9.402 0.000 2.351) 9.692 2.925 ( 15.977 -0.000 3.693) 16.398 3.151 ( 3.463 -0.000 -0.552) 3.507 3.239 ( -8.096 0.000 -6.580) 10.432 3.394 ( -3.912 0.000 0.042) 3.912 3.419 ( 3.069 -0.000 -3.397) 4.578 4.264 ( 10.188 -0.000 6.059) 11.854 4.403 ( -11.043 0.000 -8.115) 13.704 4.816 ( 0.132 0.000 25.326) 25.326 5.148 ( 7.806 -0.000 -4.949) 9.242 5.577 ( 1.431 -0.000 0.250) 1.453 5.685 ( -6.877 -0.000 -8.547) 10.970 5.831 ( 1.195 0.000 10.224) 10.294 6.106 ( -0.422 -0.000 -18.520) 18.525 6.442 ( -1.594 0.000 8.781) 8.925 6.647 ( -0.949 -0.000 -11.000) 11.041 7.080 ( -4.124 0.000 0.112) 4.126 7.181 ( 5.483 -0.000 -9.235) 10.740 10.817 ( -0.600 0.000 4.640) 4.679 10.833 ( -1.139 0.000 2.940) 3.153 11.438 ( 5.140 -0.000 4.205) 6.641 11.467 ( 3.683 0.000 4.787) 6.040 12.316 ( -21.668 0.000 4.149) 22.061 12.508 ( 13.234 -0.000 -11.193) 17.333 14.095 ( 0.582 0.000 2.685) 2.747 14.171 ( 0.257 -0.000 -4.502) 4.509 ======================= Grid point 21 (22/135) ======================= q-point: (-0.43 0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.472 -8.044 -11.434) 15.013 1.624 ( 5.466 -9.516 -1.120) 11.031 1.886 ( 3.035 -6.000 -7.846) 10.333 2.664 ( -9.700 2.017 -10.481) 14.423 2.862 ( 0.916 9.264 0.874) 9.350 3.186 ( -8.332 -5.570 5.391) 11.380 3.308 ( 6.687 0.261 -4.467) 8.046 3.444 ( 1.666 0.164 -3.640) 4.006 3.676 ( -2.831 -3.122 -20.954) 21.373 3.984 ( 0.669 8.751 2.498) 9.125 4.182 ( -15.231 4.601 6.646) 17.243 4.548 ( -10.009 -0.499 -6.250) 11.811 4.694 ( 1.412 0.351 0.151) 1.462 5.064 ( 9.479 -1.294 -0.617) 9.587 5.291 ( 0.654 -4.257 -0.766) 4.374 5.453 ( 7.481 -0.547 1.592) 7.668 5.786 ( 0.037 5.687 3.435) 6.644 6.310 ( -0.828 2.829 -1.640) 3.373 6.630 ( -1.058 1.248 19.031) 19.101 6.795 ( 5.834 4.290 2.945) 7.817 7.052 ( -2.698 3.243 12.374) 13.073 7.358 ( 1.940 -12.525 15.264) 19.840 10.212 ( 6.649 -1.206 -7.718) 10.258 10.434 ( 4.019 2.852 -0.773) 4.988 11.133 ( -1.365 -4.445 -12.226) 13.080 11.542 ( -2.050 5.701 -3.295) 6.897 12.925 ( -5.611 -9.432 -1.422) 11.067 13.232 ( -15.415 14.306 1.047) 21.057 13.878 ( 6.409 0.685 0.511) 6.466 14.163 ( 3.561 -2.285 7.203) 8.354 ======================= Grid point 22 (23/135) ======================= q-point: ( 0.17 -0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -12.289 1.562 -13.631) 18.419 1.151 ( -15.976 4.239 -16.683) 23.484 1.927 ( -8.643 -4.128 0.258) 9.582 2.034 ( -23.844 10.962 -6.252) 26.978 2.223 ( 9.142 0.931 -30.712) 32.057 2.765 ( 7.300 -2.198 -3.250) 8.287 3.137 ( 16.974 -0.317 0.823) 16.997 3.503 ( -12.965 2.935 0.170) 13.294 3.677 ( 10.493 -3.670 4.704) 12.070 3.841 ( 19.202 1.740 -0.755) 19.296 4.259 ( -7.385 -9.351 -1.627) 12.026 4.480 ( -2.692 0.469 7.321) 7.814 4.764 ( 7.984 2.301 6.532) 10.570 5.090 ( 5.058 -1.221 -4.876) 7.131 5.194 ( -3.022 3.553 4.655) 6.590 5.626 ( 1.528 -3.084 -7.972) 8.683 5.956 ( -6.409 -6.508 4.165) 10.039 6.224 ( 3.771 1.684 3.674) 5.527 7.257 ( -3.115 2.134 7.639) 8.521 7.432 ( -7.639 2.325 10.759) 13.398 7.661 ( -2.582 -2.178 14.014) 14.416 8.228 ( -5.870 -1.326 26.373) 27.051 9.863 ( -2.097 -1.369 -12.206) 12.460 10.211 ( 9.867 -8.579 -38.481) 40.642 10.420 ( -1.664 -0.560 -3.418) 3.843 11.072 ( 5.660 9.276 -3.680) 11.473 12.657 ( 0.780 1.043 -3.685) 3.909 13.344 ( 5.436 -12.761 4.694) 14.643 14.046 ( -0.617 7.336 3.969) 8.363 14.418 ( -3.342 3.493 3.428) 5.926 ======================= Grid point 23 (24/135) ======================= q-point: (-0.23 0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 7.947 0.138 14.706) 16.717 1.534 ( 19.151 0.338 7.975) 20.748 1.962 ( -7.269 0.769 29.099) 30.003 2.068 ( 3.022 3.021 -1.807) 4.639 2.548 ( -7.005 4.233 3.145) 8.768 2.604 ( 7.004 0.495 1.425) 7.165 2.885 ( 0.883 -13.032 1.022) 13.101 3.412 ( -12.087 5.133 -1.272) 13.193 3.534 ( -9.400 -0.777 -1.298) 9.521 3.786 ( 13.011 -4.776 1.305) 13.921 4.382 ( -8.100 0.610 -5.820) 9.993 4.398 ( -0.598 4.191 -12.270) 12.980 4.651 ( 0.837 -3.382 1.107) 3.655 5.043 ( 0.715 0.588 11.795) 11.832 5.231 ( 0.261 -2.519 -8.414) 8.787 5.597 ( -1.792 5.263 7.059) 8.986 6.008 ( -0.476 1.122 -2.544) 2.821 6.116 ( -5.566 -0.060 0.121) 5.568 7.310 ( 1.596 -1.449 -7.168) 7.485 7.547 ( 2.600 -1.509 -12.876) 13.223 7.738 ( 3.996 2.231 -13.084) 13.862 8.313 ( 2.728 1.627 -26.389) 26.580 9.906 ( 1.955 1.278 15.769) 15.941 10.037 ( -6.917 2.150 32.420) 33.219 10.449 ( 0.914 0.250 4.320) 4.423 11.032 ( 2.152 -1.810 2.964) 4.086 12.647 ( -0.044 -0.480 3.224) 3.260 13.203 ( -8.832 4.582 -8.326) 12.974 14.085 ( 3.353 -2.344 -2.801) 4.958 14.478 ( 2.289 -2.854 -3.381) 4.982 ======================= Grid point 24 (25/135) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 7.306 12.063) 14.103 1.563 ( 0.000 13.223 2.037) 13.379 1.854 ( 0.000 7.145 7.070) 10.052 2.788 ( -0.000 -6.484 -11.394) 13.110 2.861 ( -0.000 3.431 25.843) 26.069 3.189 ( -0.000 -6.618 4.565) 8.039 3.334 ( 0.000 5.675 -3.101) 6.467 3.377 ( -0.000 -1.069 -2.507) 2.725 3.723 ( -0.000 -0.624 23.676) 23.684 3.974 ( -0.000 -6.640 -1.856) 6.895 4.357 ( -0.000 -6.478 -10.837) 12.625 4.685 ( -0.000 -0.080 2.780) 2.781 4.728 ( -0.000 -1.144 9.548) 9.616 4.889 ( 0.000 0.889 -6.048) 6.113 5.302 ( 0.000 3.571 -2.883) 4.590 5.314 ( 0.000 3.748 3.156) 4.900 5.803 ( -0.000 -7.039 -4.807) 8.524 6.327 ( -0.000 -2.566 0.195) 2.574 6.648 ( 0.000 1.825 -5.493) 5.788 6.711 ( -0.000 -7.909 -10.872) 13.445 7.102 ( -0.000 -6.869 -14.030) 15.621 7.324 ( 0.000 18.221 -14.490) 23.280 10.137 ( -0.000 1.159 7.067) 7.162 10.390 ( -0.000 -2.870 -0.284) 2.884 11.151 ( 0.000 5.227 11.665) 12.782 11.564 ( -0.000 -8.109 2.961) 8.633 12.984 ( 0.000 9.503 3.452) 10.110 13.454 ( -0.000 -12.931 -5.491) 14.049 13.760 ( -0.000 -1.923 2.887) 3.469 14.122 ( 0.000 2.412 -7.434) 7.816 ======================= Grid point 25 (26/135) ======================= q-point: (-0.03 -0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -8.991 0.000 -4.736) 10.162 1.804 ( -8.490 0.000 -5.699) 10.225 2.270 ( -4.459 0.000 -4.444) 6.295 2.501 ( 6.812 -0.000 6.195) 9.207 2.668 ( -7.367 0.000 2.833) 7.893 3.133 ( 9.858 -0.000 -9.167) 13.462 3.156 ( 3.574 0.000 4.558) 5.792 3.394 ( 6.305 -0.000 0.353) 6.315 3.448 ( 4.321 0.000 8.403) 9.449 3.547 ( 11.422 -0.000 -1.568) 11.529 4.117 ( -2.357 0.000 0.406) 2.392 4.652 ( 11.774 -0.000 5.990) 13.210 4.800 ( -1.530 -0.000 -31.191) 31.228 4.974 ( -8.617 0.000 1.590) 8.763 5.530 ( -2.904 0.000 2.393) 3.763 5.758 ( -5.766 -0.000 -9.184) 10.844 5.780 ( 2.324 0.000 7.958) 8.291 6.079 ( -2.574 0.000 20.141) 20.305 6.473 ( 1.216 -0.000 -5.269) 5.407 6.645 ( -1.010 0.000 11.806) 11.849 7.087 ( -3.559 0.000 9.509) 10.153 7.151 ( 2.660 -0.000 -3.584) 4.463 10.719 ( -9.563 0.000 -3.324) 10.124 10.782 ( -4.979 0.000 -1.199) 5.121 11.348 ( -5.121 -0.000 -10.157) 11.375 11.514 ( 8.179 -0.000 -8.516) 11.808 12.334 ( -2.895 0.000 17.361) 17.601 12.779 ( 21.997 -0.000 -0.690) 22.008 14.060 ( -2.515 -0.000 -4.068) 4.783 14.140 ( -2.745 0.000 4.373) 5.163 ======================= Grid point 26 (27/135) ======================= q-point: (-0.44 0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 9.321 -10.096 -8.476) 16.145 1.656 ( 7.510 -5.494 -15.696) 18.247 1.845 ( 2.962 2.337 -0.891) 3.877 2.264 ( 4.934 3.715 -8.496) 10.504 2.763 ( -8.126 2.038 -13.004) 15.469 2.962 ( -3.160 0.095 -24.362) 24.567 3.134 ( -8.078 -4.157 2.570) 9.441 3.427 ( -0.463 5.195 5.807) 7.806 3.620 ( 8.110 -4.363 1.170) 9.283 3.866 ( -18.521 -2.030 1.832) 18.722 4.102 ( 5.920 8.697 2.373) 10.785 4.258 ( -8.556 -0.465 2.717) 8.989 4.817 ( 2.482 -3.846 1.707) 4.885 5.178 ( 2.371 -2.402 1.422) 3.662 5.212 ( -3.020 -1.789 -4.529) 5.730 5.553 ( -0.285 6.857 -0.381) 6.874 5.901 ( 6.133 0.798 0.386) 6.197 6.185 ( -1.347 3.965 -3.457) 5.430 7.100 ( 6.200 -0.999 11.571) 13.165 7.130 ( 0.812 1.182 22.057) 22.103 7.296 ( 2.550 2.484 13.523) 13.983 7.758 ( 1.723 -5.023 21.148) 21.805 10.127 ( 5.655 0.901 -14.293) 15.397 10.468 ( 3.312 1.765 -3.985) 5.474 10.710 ( -3.133 4.504 -25.640) 26.220 11.357 ( -7.555 -7.351 -5.456) 11.869 12.773 ( -3.931 -3.591 -2.457) 5.864 12.989 ( -8.445 13.696 4.714) 16.767 14.036 ( 1.953 -2.558 4.766) 5.751 14.379 ( 3.373 -2.434 6.136) 7.413 ======================= Grid point 27 (28/135) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -11.774 7.083 0.000) 13.741 0.597 ( -15.340 13.619 0.000) 20.514 1.339 ( -29.645 32.463 0.000) 43.963 1.659 ( -6.296 -9.917 0.000) 11.747 2.075 ( 7.336 8.285 -0.000) 11.066 2.858 ( 4.181 -8.179 -0.000) 9.185 3.260 ( -9.634 1.076 0.000) 9.693 3.479 ( 13.058 -4.639 -0.000) 13.858 3.965 ( 4.315 0.179 -0.000) 4.319 4.147 ( 1.679 -8.378 -0.000) 8.544 4.175 ( 16.188 1.743 -0.000) 16.281 4.370 ( -7.579 4.371 0.000) 8.750 4.950 ( -9.257 -3.363 0.000) 9.849 5.154 ( 5.426 -7.869 -0.000) 9.558 5.191 ( 1.075 0.712 -0.000) 1.290 5.607 ( 3.325 -5.767 -0.000) 6.657 5.756 ( -17.149 -8.964 0.000) 19.350 6.356 ( -3.280 -2.820 0.000) 4.326 7.284 ( -3.211 1.149 0.000) 3.411 7.509 ( 8.823 12.367 -0.000) 15.191 7.777 ( -1.102 -3.198 0.000) 3.383 8.507 ( -13.088 -11.959 0.000) 17.728 9.610 ( 0.260 0.950 -0.000) 0.985 9.720 ( 0.014 -2.207 0.000) 2.207 10.361 ( -0.854 -0.585 0.000) 1.035 11.207 ( 11.564 14.373 -0.000) 18.447 12.622 ( 0.392 1.000 -0.000) 1.074 13.480 ( 8.003 -10.824 -0.000) 13.462 14.101 ( -1.482 5.930 0.000) 6.113 14.382 ( -3.635 3.977 0.000) 5.388 ======================= Grid point 28 (29/135) ======================= q-point: (-0.24 0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 4.308 4.488 11.354) 12.947 1.865 ( -0.330 -4.818 2.121) 5.275 2.102 ( 5.016 4.406 5.095) 8.398 2.348 ( -10.967 2.602 5.094) 12.369 2.578 ( -6.554 -1.020 5.040) 8.331 2.694 ( 3.336 0.184 30.316) 30.499 3.056 ( 3.006 -6.734 -0.700) 7.408 3.280 ( -1.620 5.102 2.247) 5.806 3.399 ( 4.094 0.659 -5.723) 7.067 3.877 ( -4.086 -5.783 -9.197) 11.607 4.017 ( -1.271 1.986 -8.616) 8.933 4.303 ( 5.965 -5.697 4.069) 9.198 4.770 ( 1.995 0.337 -3.055) 3.664 5.096 ( 2.809 -0.724 -2.028) 3.540 5.356 ( 3.478 1.137 11.464) 12.034 5.555 ( -5.869 10.490 -1.522) 12.117 5.943 ( -3.154 -7.495 -0.179) 8.133 6.099 ( -3.061 0.540 5.865) 6.638 7.125 ( -1.119 -0.108 -16.502) 16.540 7.183 ( -0.973 -3.651 -17.215) 17.625 7.457 ( -1.610 1.698 -16.165) 16.333 7.836 ( 3.348 2.300 -23.714) 24.059 10.306 ( -0.577 2.979 16.604) 16.879 10.546 ( -0.547 -0.419 19.135) 19.147 10.599 ( -3.813 -1.685 20.851) 21.264 11.249 ( 10.597 3.394 4.587) 12.036 12.706 ( -7.190 -1.344 -9.772) 12.206 12.730 ( -3.629 -0.688 -3.788) 5.291 14.101 ( 3.344 1.308 -3.249) 4.843 14.416 ( 0.775 -2.293 -5.504) 6.013 ======================= Grid point 29 (30/135) ======================= q-point: ( 0.36 0.08 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 4.017 4.321 9.501) 11.184 1.612 ( 5.257 5.067 -1.791) 7.518 2.106 ( 3.158 6.598 12.914) 14.842 2.501 ( -0.334 -5.028 -13.980) 14.860 3.010 ( -8.407 1.188 2.290) 8.794 3.111 ( -11.361 -6.618 -0.283) 13.151 3.368 ( 4.545 8.347 1.950) 9.703 3.523 ( 2.197 -5.665 4.705) 7.685 3.883 ( -7.242 -0.413 -2.242) 7.593 4.034 ( -8.508 -6.927 -5.188) 12.137 4.148 ( -1.623 4.900 16.158) 16.962 4.513 ( -5.963 -3.549 -7.355) 10.112 4.854 ( 3.657 0.537 11.504) 12.083 5.020 ( 7.696 3.264 -6.831) 10.795 5.390 ( 2.991 1.092 9.148) 9.686 5.451 ( 4.264 2.413 2.840) 5.663 5.720 ( 1.277 -5.125 -1.595) 5.517 5.948 ( 1.476 -0.226 -24.678) 24.723 6.563 ( -3.692 1.766 4.028) 5.743 6.754 ( -3.410 -2.466 -8.531) 9.512 6.990 ( 2.632 -8.950 11.276) 14.635 7.057 ( 2.625 10.796 -13.681) 17.624 10.327 ( 7.017 2.827 3.537) 8.351 10.434 ( 5.913 -3.158 -1.010) 6.779 11.312 ( -0.215 8.801 5.886) 10.590 11.589 ( -1.737 -12.090 0.538) 12.226 12.919 ( -9.076 14.833 -1.303) 17.438 13.208 ( -12.484 -14.027 -1.344) 18.826 13.928 ( 4.710 -1.764 4.903) 7.024 14.012 ( 4.365 2.445 -7.111) 8.695 ======================= Grid point 30 (31/135) ======================= q-point: (-0.04 -0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -14.224 0.000 -8.329) 16.483 1.435 ( -15.895 0.000 -7.629) 17.631 1.941 ( -7.919 0.000 -5.528) 9.658 2.621 ( 2.630 -0.000 -9.158) 9.528 2.875 ( 6.852 0.000 11.763) 13.613 3.054 ( 9.685 -0.000 -15.643) 18.398 3.359 ( -6.447 0.000 -1.701) 6.668 3.433 ( 6.566 0.000 7.704) 10.123 3.550 ( -1.044 -0.000 -8.118) 8.185 3.850 ( 20.672 -0.000 -0.313) 20.675 4.265 ( 7.472 -0.000 -9.732) 12.270 4.404 ( 12.085 -0.000 5.586) 13.314 4.627 ( -11.397 0.000 -5.935) 12.850 5.006 ( 5.439 -0.000 3.144) 6.282 5.306 ( -8.294 0.000 -7.398) 11.114 5.673 ( -5.840 0.000 7.068) 9.169 5.852 ( -0.240 0.000 0.429) 0.492 6.353 ( 1.093 -0.000 -2.113) 2.379 6.644 ( -0.141 0.000 24.294) 24.294 6.849 ( -1.151 0.000 10.545) 10.607 7.105 ( -5.881 0.000 2.922) 6.567 7.320 ( -2.093 0.000 17.496) 17.621 10.368 ( -10.211 0.000 -8.318) 13.170 10.602 ( -5.593 0.000 -3.806) 6.765 11.100 ( -2.442 -0.000 -4.903) 5.477 11.476 ( 12.516 -0.000 -16.032) 20.339 12.625 ( 2.327 0.000 8.384) 8.701 13.262 ( 18.996 -0.000 3.960) 19.404 13.911 ( -4.121 0.000 -2.992) 5.092 14.178 ( -3.767 0.000 6.082) 7.154 ======================= Grid point 31 (32/135) ======================= q-point: (-0.44 0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 5.125 -3.733 -12.738) 14.229 1.551 ( 16.531 -2.531 -9.906) 19.437 1.941 ( -6.286 1.430 -14.143) 15.543 2.005 ( 5.445 3.101 -12.361) 13.858 2.453 ( -9.388 5.126 -5.458) 12.008 2.557 ( 1.065 4.184 -0.432) 4.339 3.158 ( 5.404 -12.504 3.417) 14.044 3.317 ( -10.657 3.383 1.402) 11.269 3.574 ( -11.440 -3.193 1.662) 11.993 3.898 ( 13.284 -5.968 -2.082) 14.711 4.260 ( 7.526 7.050 0.929) 10.354 4.375 ( -4.884 2.209 15.800) 16.685 4.745 ( -7.649 -6.237 -1.234) 9.947 5.019 ( 1.472 2.423 -12.297) 12.619 5.287 ( -1.501 -3.155 5.357) 6.395 5.476 ( -1.379 5.802 -1.628) 6.182 5.998 ( 3.091 0.815 -0.837) 3.304 6.084 ( -5.142 3.221 -0.324) 6.076 7.337 ( 1.231 -0.902 6.240) 6.423 7.585 ( 3.892 -2.352 13.912) 14.636 7.675 ( 3.961 4.233 12.594) 13.865 8.293 ( 1.769 -0.220 25.064) 25.128 9.872 ( 1.926 1.982 -16.725) 16.951 10.000 ( -3.284 1.492 -29.018) 29.242 10.441 ( 1.321 0.521 -3.954) 4.201 11.106 ( -5.157 -6.290 -3.307) 8.780 12.661 ( -0.775 -0.937 -3.577) 3.778 13.081 ( -0.287 8.143 8.299) 11.630 14.133 ( -0.382 -2.534 3.238) 4.130 14.533 ( 1.468 -2.277 3.644) 4.541 ======================= Grid point 32 (33/135) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 18.948 7.394) 20.340 0.791 ( 0.000 20.831 17.117) 26.961 1.184 ( 0.000 25.888 31.842) 41.038 1.728 ( -0.000 0.247 1.512) 1.532 2.915 ( -0.000 -7.397 2.940) 7.960 2.952 ( -0.000 -30.307 34.317) 45.784 3.163 ( -0.000 -2.062 1.561) 2.586 3.624 ( -0.000 -7.814 -2.164) 8.108 3.872 ( 0.000 -0.506 -13.854) 13.863 4.092 ( 0.000 -0.266 -3.132) 3.144 4.274 ( 0.000 3.603 5.204) 6.330 4.565 ( -0.000 -4.145 7.753) 8.792 4.784 ( -0.000 -1.474 -1.423) 2.049 4.960 ( 0.000 3.682 -3.033) 4.770 5.229 ( -0.000 -2.449 1.595) 2.922 5.392 ( 0.000 1.970 -2.578) 3.244 5.863 ( -0.000 0.045 10.238) 10.239 6.092 ( 0.000 2.340 -8.524) 8.840 7.094 ( 0.000 1.260 -12.387) 12.451 7.475 ( 0.000 23.654 -15.374) 28.211 7.617 ( -0.000 -3.439 -13.947) 14.365 7.873 ( -0.000 -5.520 -12.709) 13.856 9.806 ( -0.000 -1.706 7.329) 7.525 10.375 ( -0.000 -0.790 1.988) 2.139 10.548 ( -0.000 -27.943 33.280) 43.456 11.449 ( 0.000 1.454 3.299) 3.605 12.682 ( 0.000 1.661 4.808) 5.087 13.792 ( -0.000 -0.454 -1.672) 1.732 13.852 ( -0.000 -6.208 -4.072) 7.424 14.301 ( 0.000 2.444 -2.887) 3.783 ======================= Grid point 33 (34/135) ======================= q-point: ( 0.75 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 3.434 5.812 5.706) 8.839 1.985 ( -6.183 2.817 9.143) 11.391 2.013 ( -5.695 -2.617 -1.994) 6.577 2.184 ( -5.790 -6.062 6.336) 10.508 2.787 ( 3.984 5.582 3.315) 7.617 3.114 ( 7.334 -6.271 5.219) 10.971 3.168 ( -4.155 3.690 -2.665) 6.163 3.338 ( 5.307 -1.887 6.799) 8.829 3.456 ( 11.081 0.710 -7.786) 13.562 3.543 ( -1.691 -3.878 1.474) 4.480 4.157 ( 5.961 0.271 12.140) 13.527 4.468 ( -4.228 1.174 -3.538) 5.636 4.634 ( 4.243 -4.566 -1.146) 6.338 5.256 ( 7.050 4.918 0.922) 8.645 5.393 ( -6.171 7.498 1.345) 9.804 5.617 ( 0.040 1.102 8.749) 8.819 5.800 ( -7.857 -9.509 -3.412) 12.799 6.213 ( -1.573 -1.733 9.327) 9.616 6.575 ( -1.973 0.140 -27.208) 27.280 6.871 ( -3.704 -4.086 -12.120) 13.316 7.079 ( -5.950 0.903 -10.194) 11.838 7.545 ( 6.989 3.918 -15.724) 17.647 10.509 ( -4.989 3.071 9.462) 11.129 10.655 ( -6.378 -1.336 7.144) 9.670 11.206 ( 2.911 1.657 25.743) 25.960 11.600 ( 8.081 5.035 6.174) 11.348 12.136 ( -5.795 -10.740 -15.740) 19.917 12.843 ( 9.662 3.354 -0.986) 10.275 14.071 ( -1.276 1.189 -1.850) 2.543 14.292 ( -1.079 -1.741 -6.117) 6.451 ======================= Grid point 34 (35/135) ======================= q-point: (-0.65 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 9.017 -0.661 -3.849) 9.827 1.761 ( 5.965 -0.062 3.610) 6.973 2.209 ( -0.007 0.018 -10.644) 10.644 2.445 ( -2.790 -1.234 8.240) 8.786 2.728 ( -1.385 7.737 -7.041) 10.553 3.019 ( -4.820 -5.426 4.701) 8.647 3.401 ( -1.528 5.441 -1.562) 5.864 3.516 ( -6.408 -5.363 -1.347) 8.464 3.676 ( -12.356 4.107 4.376) 13.736 3.703 ( -13.494 -4.318 -1.996) 14.308 4.273 ( 4.317 2.730 -4.937) 7.104 4.478 ( 3.626 -7.120 3.171) 8.596 4.790 ( -2.599 6.247 -16.354) 17.699 5.148 ( -1.392 -3.532 6.933) 7.904 5.457 ( 3.503 1.559 -8.586) 9.403 5.627 ( 4.908 -3.912 -1.465) 6.445 5.718 ( 6.305 4.298 -0.567) 7.652 5.971 ( 2.055 0.664 23.062) 23.163 6.496 ( -0.857 2.587 -10.127) 10.487 6.667 ( 0.798 3.192 8.668) 9.271 6.922 ( 3.110 4.146 -3.523) 6.267 7.251 ( -3.161 -8.972 13.164) 16.241 10.500 ( 6.710 1.894 -2.983) 7.583 10.574 ( 8.952 -2.495 -1.686) 9.445 11.430 ( 1.007 1.925 -0.291) 2.192 11.522 ( 4.531 -7.129 -4.531) 9.586 12.576 ( -17.453 16.660 -3.368) 24.361 12.926 ( -14.019 -11.070 2.428) 18.027 14.008 ( 4.951 1.013 -3.370) 6.074 14.132 ( 3.527 -0.395 6.198) 7.143 ======================= Grid point 35 (36/135) ======================= q-point: (-0.05 -0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -17.422 0.000 -13.147) 21.826 0.878 ( -18.763 0.000 -10.553) 21.527 1.770 ( -5.364 0.000 0.282) 5.372 2.028 ( -7.620 -0.000 -38.596) 39.341 3.016 ( 2.592 -0.000 -3.564) 4.407 3.235 ( 10.751 -0.000 -9.971) 14.663 3.304 ( 1.430 -0.000 -8.815) 8.931 3.350 ( 12.339 -0.000 13.418) 18.229 3.663 ( 3.038 0.000 5.248) 6.064 4.249 ( -6.116 0.000 -5.434) 8.182 4.351 ( 17.478 -0.000 1.176) 17.518 4.384 ( 4.991 -0.000 -5.681) 7.562 4.730 ( 4.606 0.000 9.756) 10.789 5.025 ( -6.672 0.000 -1.184) 6.777 5.167 ( 1.489 0.000 3.065) 3.407 5.602 ( -17.108 0.000 7.261) 18.585 5.862 ( 6.149 -0.000 -4.450) 7.590 6.230 ( -2.250 -0.000 -8.882) 9.163 6.941 ( -9.549 0.000 12.418) 15.665 7.044 ( 1.306 0.000 8.003) 8.109 7.267 ( -0.927 0.000 21.796) 21.816 7.652 ( -4.169 0.000 19.672) 20.109 10.026 ( -4.550 -0.000 -8.901) 9.997 10.451 ( -2.321 -0.000 -2.632) 3.509 11.015 ( 0.536 -0.000 -2.390) 2.449 11.402 ( 15.116 -0.000 -17.471) 23.103 12.729 ( 1.174 -0.000 -1.523) 1.923 13.681 ( 13.115 -0.000 3.595) 13.598 13.803 ( -3.001 0.000 0.352) 3.022 14.228 ( -2.765 0.000 5.208) 5.896 ======================= Grid point 36 (37/135) ======================= q-point: (-0.45 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 1.899 0.093 -0.000) 1.901 1.509 ( 1.241 -0.079 -0.000) 1.243 1.852 ( 13.837 -0.796 -0.000) 13.859 1.973 ( -12.991 5.719 0.000) 14.194 2.067 ( -4.114 -0.280 0.000) 4.123 2.644 ( -3.183 -2.095 0.000) 3.811 3.118 ( -1.054 3.017 0.000) 3.196 3.429 ( 5.482 -7.404 -0.000) 9.212 3.493 ( 2.491 1.212 -0.000) 2.770 4.042 ( 3.598 -2.187 -0.000) 4.210 4.321 ( -9.122 -6.681 0.000) 11.307 4.548 ( -4.644 1.344 0.000) 4.835 4.583 ( 8.518 6.053 -0.000) 10.450 4.904 ( 2.266 2.298 -0.000) 3.227 5.257 ( -1.895 0.590 0.000) 1.984 5.497 ( 0.502 -0.172 -0.000) 0.531 5.990 ( -2.284 -0.087 0.000) 2.285 6.002 ( -1.256 -0.634 0.000) 1.407 7.413 ( -0.392 -0.964 0.000) 1.041 7.774 ( -0.528 -4.406 0.000) 4.437 7.860 ( -0.530 3.945 0.000) 3.981 8.647 ( 0.266 1.847 -0.000) 1.866 9.612 ( -0.380 -1.918 0.000) 1.955 9.676 ( 0.025 2.051 -0.000) 2.051 10.407 ( -0.228 -0.135 0.000) 0.265 11.059 ( 4.426 2.843 -0.000) 5.260 12.615 ( 0.311 0.005 -0.000) 0.311 13.134 ( -5.017 -2.186 0.000) 5.472 14.177 ( 1.750 0.954 -0.000) 1.994 14.590 ( 0.456 -1.335 -0.000) 1.411 ======================= Grid point 37 (38/135) ======================= q-point: ( 0.15 0.07 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 10.110 7.945 12.476) 17.916 1.195 ( 14.337 20.540 8.361) 26.407 1.774 ( 4.259 0.382 0.188) 4.280 2.086 ( 6.462 6.146 35.038) 36.155 2.972 ( -3.056 -4.470 4.055) 6.765 3.173 ( -13.155 -7.672 21.550) 26.388 3.256 ( 4.107 -0.682 -1.910) 4.580 3.363 ( -9.636 -0.070 -8.726) 13.000 3.630 ( -0.868 -3.438 -5.697) 6.710 4.188 ( 5.445 -6.487 3.969) 9.353 4.314 ( -18.177 -2.893 -2.433) 18.566 4.405 ( -7.116 1.529 4.370) 8.490 4.701 ( -0.385 -0.237 -4.320) 4.343 5.056 ( 6.207 1.962 -2.133) 6.851 5.210 ( -1.545 3.537 -0.609) 3.907 5.555 ( 13.959 -4.182 -4.494) 15.250 5.862 ( -4.917 -0.329 3.057) 5.800 6.223 ( 2.937 -1.343 6.741) 7.474 6.922 ( 7.978 -0.426 -11.922) 14.352 7.159 ( -3.908 6.972 -13.048) 15.301 7.254 ( 1.253 0.740 -18.959) 19.015 7.630 ( 5.367 -1.477 -19.492) 20.271 10.024 ( 4.543 -0.291 9.576) 10.603 10.440 ( 2.265 -1.193 2.412) 3.518 10.909 ( -2.303 -8.379 12.366) 15.114 11.439 ( -10.023 2.429 10.381) 14.633 12.762 ( -1.817 3.366 2.946) 4.828 13.495 ( -13.355 -12.503 -0.333) 18.297 13.908 ( 3.785 4.423 -4.466) 7.337 14.252 ( 3.108 2.295 -5.541) 6.755 ======================= Grid point 38 (39/135) ======================= q-point: (-0.25 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -12.438 -2.591 -1.498) 12.793 1.766 ( -6.271 -0.101 -4.478) 7.706 2.196 ( 0.461 -0.830 7.986) 8.042 2.489 ( 4.598 2.771 -1.549) 5.588 2.615 ( -0.859 -4.228 2.646) 5.061 3.114 ( 5.496 4.659 0.491) 7.222 3.296 ( -0.358 -4.914 1.347) 5.108 3.592 ( 9.400 -1.208 -0.083) 9.478 3.626 ( 15.339 2.389 0.460) 15.531 3.802 ( 13.372 5.307 1.559) 14.471 4.181 ( -1.788 -5.440 -4.103) 7.045 4.616 ( -2.255 0.143 10.061) 10.311 4.715 ( 0.121 4.062 7.551) 8.575 5.179 ( -7.771 -0.549 -8.140) 11.268 5.434 ( -0.530 -0.287 3.176) 3.232 5.609 ( -3.694 -4.311 6.168) 8.383 5.723 ( -3.522 3.256 4.856) 6.825 5.956 ( -3.644 -0.780 -23.179) 23.477 6.429 ( -0.066 -3.458 10.670) 11.216 6.607 ( -0.953 -2.827 -7.047) 7.653 6.884 ( -4.310 -0.329 2.416) 4.952 7.394 ( 5.585 5.501 -13.925) 15.980 10.484 ( -8.682 0.277 1.726) 8.856 10.600 ( -9.490 -0.106 4.483) 10.496 11.414 ( -5.905 1.075 -8.710) 10.578 11.703 ( 2.954 10.814 9.865) 14.932 12.249 ( 16.101 -17.093 4.436) 23.898 13.101 ( 14.253 6.662 1.113) 15.772 13.990 ( -5.705 -0.694 2.151) 6.136 14.127 ( -2.475 -0.634 -6.043) 6.560 ======================= Grid point 39 (40/135) ======================= q-point: (-0.65 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.074 -6.139 -7.912) 10.015 1.937 ( 6.548 -1.411 -4.641) 8.149 2.054 ( 4.332 1.126 -4.313) 6.216 2.314 ( 3.571 7.390 -3.625) 8.972 2.726 ( -4.790 -0.749 -5.258) 7.152 3.086 ( 1.549 -5.156 1.892) 5.707 3.210 ( -3.817 3.913 -0.809) 5.526 3.332 ( -12.035 -1.181 -8.433) 14.743 3.452 ( -11.021 0.064 5.757) 12.434 3.640 ( 5.108 4.780 5.575) 8.945 4.150 ( -5.376 -0.359 -14.601) 15.563 4.411 ( 7.781 -4.438 -3.747) 9.710 4.750 ( 0.764 6.465 6.145) 8.952 5.116 ( -7.304 -8.403 3.792) 11.762 5.334 ( 0.592 0.999 -6.190) 6.298 5.589 ( 1.390 -1.872 -7.858) 8.197 5.942 ( 6.530 5.078 3.021) 8.807 6.254 ( 0.340 2.274 -9.912) 10.175 6.578 ( 0.711 0.530 27.981) 27.995 6.957 ( 4.530 3.755 12.402) 13.727 7.073 ( 4.177 1.088 9.771) 10.682 7.445 ( -4.989 -5.992 16.110) 17.898 10.471 ( 3.052 -0.681 -9.189) 9.706 10.651 ( 4.406 -1.157 -5.122) 6.855 11.196 ( 2.965 0.330 -22.398) 22.596 11.503 ( -2.942 -4.960 -11.822) 13.154 12.357 ( -4.682 11.553 14.339) 19.000 12.765 ( -7.945 -4.290 3.877) 9.826 14.049 ( 1.411 -1.010 0.376) 1.776 14.317 ( 1.542 0.538 6.413) 6.617 ======================= Grid point 40 (41/135) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 0.000 -0.000 -15.175) 15.175 0.299 ( 0.000 -0.000 -15.325) 15.325 1.003 ( 0.000 -0.000 -47.924) 47.924 1.710 ( -0.000 0.000 0.124) 0.124 2.985 ( 0.000 -0.000 -0.466) 0.466 3.193 ( 0.000 -0.000 -3.912) 3.912 3.448 ( -0.000 0.000 0.712) 0.712 3.704 ( 0.000 -0.000 -0.910) 0.910 3.873 ( -0.000 0.000 12.774) 12.774 4.082 ( -0.000 0.000 4.945) 4.945 4.261 ( 0.000 -0.000 -8.088) 8.088 4.619 ( 0.000 -0.000 -10.467) 10.467 4.789 ( -0.000 0.000 0.784) 0.784 4.919 ( -0.000 0.000 6.890) 6.890 5.254 ( 0.000 -0.000 -1.937) 1.937 5.367 ( -0.000 0.000 3.527) 3.527 5.863 ( 0.000 -0.000 -11.302) 11.302 6.003 ( -0.000 0.000 0.634) 0.634 7.056 ( -0.000 0.000 9.072) 9.072 7.196 ( -0.000 0.000 4.218) 4.218 7.651 ( -0.000 0.000 14.150) 14.150 7.927 ( -0.000 0.000 12.950) 12.950 9.823 ( 0.000 -0.000 -6.785) 6.785 10.382 ( 0.000 -0.000 -2.051) 2.051 10.994 ( 0.000 -0.000 -0.842) 0.842 11.436 ( 0.000 -0.000 -4.645) 4.645 12.665 ( 0.000 -0.000 -4.171) 4.171 13.797 ( -0.000 0.000 1.620) 1.620 13.919 ( -0.000 0.000 2.861) 2.861 14.276 ( -0.000 0.000 2.498) 2.498 ======================= Grid point 41 (42/135) ======================= q-point: ( 0.54 -0.43 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.935 5.468 13.908) 14.973 1.641 ( -11.273 6.815 5.014) 14.095 1.893 ( -7.201 -3.593 0.757) 8.083 1.970 ( 2.295 -0.464 27.487) 27.587 2.377 ( 7.096 -2.260 6.629) 9.970 2.459 ( 0.009 -5.812 0.541) 5.837 3.220 ( 6.754 -2.602 -0.600) 7.263 3.352 ( -1.119 1.891 -6.193) 6.571 3.648 ( 13.373 4.347 -2.435) 14.271 3.939 ( -12.425 -2.921 -2.979) 13.106 4.173 ( -5.336 -0.592 2.723) 6.020 4.359 ( 3.421 0.692 -11.042) 11.580 4.857 ( 6.170 4.554 -0.603) 7.692 4.975 ( -1.215 0.055 10.429) 10.500 5.331 ( 5.128 0.485 0.685) 5.197 5.418 ( -2.633 0.218 -3.139) 4.103 5.955 ( -4.690 -3.747 1.768) 6.258 6.010 ( 2.000 -4.021 0.986) 4.598 7.329 ( -1.245 -1.832 -6.129) 6.517 7.580 ( -2.812 -4.448 -13.996) 14.953 7.639 ( -6.918 2.303 -12.495) 14.467 8.331 ( 0.359 3.402 -23.734) 23.980 9.840 ( -2.856 -1.349 18.409) 18.678 9.983 ( 1.908 -0.277 25.634) 25.706 10.430 ( -1.850 -0.659 3.770) 4.251 11.275 ( 12.209 11.132 2.385) 16.693 12.680 ( 1.659 1.027 4.285) 4.708 12.895 ( -6.918 -11.184 -8.184) 15.489 14.184 ( 1.588 2.959 -3.569) 4.900 14.549 ( -0.813 -0.622 -3.731) 3.869 ======================= Grid point 42 (43/135) ======================= q-point: ( 0.14 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 12.611 0.499 10.615) 16.491 1.622 ( 12.446 10.474 3.625) 16.666 1.941 ( 7.114 0.340 6.670) 9.758 2.586 ( -3.603 -3.539 7.394) 8.954 2.922 ( -7.115 4.371 -7.659) 11.330 2.983 ( -6.370 -6.445 8.567) 12.470 3.367 ( 2.967 1.146 0.753) 3.269 3.458 ( -4.786 0.459 -0.931) 4.897 3.549 ( 0.415 1.435 7.776) 7.919 3.837 ( -19.314 -1.064 -0.002) 19.344 4.189 ( -2.536 -7.455 2.501) 8.262 4.363 ( -8.157 -1.491 5.361) 9.874 4.714 ( 6.264 5.290 2.698) 8.631 5.032 ( -6.107 3.083 -3.923) 7.885 5.327 ( 7.874 1.872 7.801) 11.241 5.615 ( 2.986 -4.908 -5.429) 7.904 5.871 ( 3.078 1.010 -1.609) 3.617 6.339 ( -0.884 -1.391 2.608) 3.085 6.635 ( -0.250 -0.902 -24.679) 24.696 6.886 ( 1.118 2.576 -9.055) 9.480 7.089 ( 5.346 -1.143 -4.898) 7.340 7.314 ( 1.930 0.042 -17.263) 17.370 10.368 ( 9.332 0.077 8.377) 12.541 10.583 ( 5.270 -1.948 3.647) 6.699 11.094 ( 1.809 -0.005 8.173) 8.370 11.486 ( -8.957 0.513 12.753) 15.592 12.663 ( -4.411 3.923 -6.703) 8.932 13.153 ( -17.112 -10.217 -2.890) 20.139 13.943 ( 3.307 2.425 1.449) 4.350 14.200 ( 3.830 2.148 -6.321) 7.697 ======================= Grid point 43 (44/135) ======================= q-point: (-0.26 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -5.417 -6.917 -7.755) 11.719 1.484 ( -8.136 -6.519 -7.222) 12.683 2.007 ( -4.816 -3.239 -12.411) 13.701 2.592 ( 1.125 4.243 14.338) 14.995 2.924 ( 8.663 -4.471 1.571) 9.875 3.247 ( -4.053 -3.531 0.282) 5.382 3.329 ( 9.692 11.270 -4.152) 15.434 3.570 ( 1.572 -0.331 -5.383) 5.618 3.863 ( 11.384 -4.485 -6.905) 14.049 4.152 ( -2.734 7.642 -4.247) 9.161 4.199 ( 12.640 8.322 6.073) 16.306 4.556 ( 4.295 0.342 3.878) 5.797 4.748 ( -7.819 -9.790 -8.620) 15.208 4.958 ( -4.763 -2.200 7.250) 8.949 5.390 ( -6.903 0.717 -6.944) 9.818 5.432 ( -2.136 -0.140 -8.929) 9.182 5.792 ( 0.932 2.225 4.681) 5.266 5.955 ( -2.412 0.526 24.876) 24.998 6.525 ( 2.086 -1.688 -0.977) 2.856 6.702 ( 2.723 -6.371 11.761) 13.650 6.963 ( -3.499 0.174 11.255) 11.787 7.142 ( -0.708 6.055 -15.437) 16.597 10.282 ( -7.423 -1.682 -2.916) 8.151 10.480 ( -6.309 1.470 1.347) 6.617 11.195 ( -1.060 -3.652 -5.196) 6.439 11.841 ( 5.867 13.500 -6.088) 15.929 12.627 ( 6.944 -14.918 7.032) 17.895 13.426 ( 11.157 8.356 3.350) 14.336 13.948 ( -2.927 0.307 -5.554) 6.286 13.971 ( -4.420 -1.618 6.893) 8.347 ======================= Grid point 44 (45/135) ======================= q-point: ( 0.34 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -2.159 -1.577 -10.253) 10.596 1.906 ( 3.247 -0.384 -2.485) 4.107 2.058 ( -6.289 0.140 -7.635) 9.893 2.306 ( 5.773 -1.462 -6.890) 9.108 2.597 ( 4.207 0.795 -0.306) 4.293 2.686 ( -2.279 -0.486 -32.906) 32.989 3.162 ( 1.319 2.434 2.212) 3.544 3.200 ( -3.014 -1.687 0.155) 3.458 3.393 ( -1.540 0.088 4.428) 4.689 3.970 ( 4.859 -0.190 9.726) 10.874 3.983 ( -2.518 2.043 8.979) 9.547 4.415 ( -1.908 4.323 -4.200) 6.322 4.756 ( -2.375 -0.945 -2.753) 3.757 5.135 ( 0.389 3.909 4.500) 5.974 5.266 ( 0.004 -7.796 -4.510) 9.007 5.441 ( 1.012 -1.323 -3.796) 4.145 6.043 ( 1.023 2.725 -0.591) 2.970 6.090 ( 1.339 -0.318 -6.242) 6.392 7.123 ( 0.482 -0.134 19.922) 19.928 7.264 ( 0.170 3.629 14.072) 14.533 7.418 ( 0.938 -1.966 15.683) 15.834 7.791 ( -1.519 -1.726 24.314) 24.422 10.256 ( 0.262 -1.675 -15.353) 15.446 10.562 ( -0.549 0.809 -9.075) 9.128 10.618 ( 2.201 0.287 -32.201) 32.278 11.191 ( -3.856 -1.911 -6.275) 7.609 12.713 ( -1.456 -0.070 -0.424) 1.518 12.758 ( 5.295 1.188 16.000) 16.895 14.080 ( -1.164 -0.639 2.742) 3.046 14.454 ( -0.355 1.240 5.685) 5.829 ======================= Grid point 45 (46/135) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 14.907 -0.000 -0.000) 14.907 0.523 ( 24.868 -0.000 -0.000) 24.868 0.921 ( 43.561 -0.000 -0.000) 43.561 1.799 ( 7.904 -0.000 -0.000) 7.904 1.951 ( -8.204 0.000 0.000) 8.204 2.948 ( -7.175 0.000 0.000) 7.175 3.250 ( 8.759 -0.000 -0.000) 8.759 3.523 ( -14.096 0.000 0.000) 14.096 3.960 ( -3.055 0.000 0.000) 3.055 4.159 ( -16.556 0.000 0.000) 16.556 4.253 ( 7.109 -0.000 -0.000) 7.109 4.300 ( 0.919 -0.000 -0.000) 0.919 4.984 ( 12.591 -0.000 -0.000) 12.591 5.182 ( -4.097 0.000 0.000) 4.097 5.267 ( -12.604 0.000 0.000) 12.604 5.612 ( -7.500 0.000 0.000) 7.500 6.099 ( 4.133 -0.000 -0.000) 4.133 6.353 ( -3.460 0.000 0.000) 3.460 7.271 ( 10.131 -0.000 -0.000) 10.131 7.282 ( 3.516 -0.000 -0.000) 3.516 7.808 ( 0.640 -0.000 -0.000) 0.640 8.731 ( -0.036 0.000 0.000) 0.036 9.601 ( -0.285 0.000 0.000) 0.285 9.742 ( -0.063 0.000 0.000) 0.063 10.367 ( 0.780 -0.000 -0.000) 0.780 10.968 ( -1.444 0.000 0.000) 1.444 12.612 ( -0.308 0.000 0.000) 0.308 13.755 ( -6.066 0.000 0.000) 6.066 13.852 ( 3.322 -0.000 -0.000) 3.322 14.340 ( 3.220 -0.000 -0.000) 3.220 ======================= Grid point 46 (47/135) ======================= q-point: ( 0.54 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -7.234 12.256 5.132) 15.129 1.708 ( -6.952 0.528 17.139) 18.503 1.808 ( 1.151 -1.396 4.271) 4.638 2.167 ( -0.661 -5.240 3.917) 6.576 2.739 ( 6.669 -0.235 16.214) 17.534 2.931 ( 6.851 -2.543 20.424) 21.692 3.236 ( 1.255 5.022 -1.109) 5.294 3.319 ( 2.711 -5.817 -4.776) 8.000 3.595 ( -6.278 -8.357 -3.352) 10.977 3.906 ( 17.043 1.447 -4.658) 17.727 4.105 ( -12.134 10.446 2.387) 16.188 4.286 ( 10.627 2.108 -2.997) 11.241 4.819 ( -3.931 -3.762 -3.540) 6.491 5.171 ( -2.925 -0.366 3.900) 4.889 5.288 ( 3.459 4.658 -0.208) 5.805 5.489 ( 0.913 -0.430 3.225) 3.379 5.839 ( -6.846 -5.831 -1.925) 9.197 6.095 ( 0.311 -4.734 4.982) 6.880 7.076 ( -1.390 -2.279 -18.724) 18.913 7.138 ( -6.715 0.723 -17.317) 18.588 7.209 ( -3.427 -5.524 -13.166) 14.683 7.902 ( 2.879 8.732 -19.153) 21.245 10.110 ( -5.983 -0.836 15.630) 16.757 10.436 ( -4.262 -1.526 4.021) 6.055 10.662 ( 3.486 -0.894 29.227) 29.447 11.518 ( 4.755 10.042 -0.526) 11.123 12.708 ( 9.004 -14.948 -6.795) 18.727 12.853 ( 4.276 3.525 6.163) 8.288 14.074 ( -3.140 1.802 -5.556) 6.631 14.402 ( -3.071 -0.058 -6.214) 6.932 ======================= Grid point 47 (48/135) ======================= q-point: ( 0.13 0.31 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 8.439 -0.689 7.852) 11.547 1.877 ( 7.722 3.593 1.535) 8.654 2.249 ( 2.603 -1.767 5.763) 6.566 2.456 ( -3.853 -3.412 -6.803) 8.530 2.747 ( 4.645 6.622 -3.274) 8.726 3.033 ( -2.309 -6.753 4.038) 8.201 3.218 ( -9.415 3.264 1.261) 10.044 3.391 ( -7.617 -0.681 -0.253) 7.652 3.465 ( -3.075 1.580 -8.564) 9.235 3.498 ( -11.343 -3.865 1.608) 12.090 4.195 ( 3.600 7.202 0.353) 8.059 4.692 ( -7.091 2.187 4.890) 8.887 4.738 ( -0.361 -4.035 10.647) 11.392 4.961 ( 4.003 -1.778 4.792) 6.491 5.538 ( 1.662 0.277 -0.630) 1.799 5.699 ( 4.851 -1.859 8.364) 9.846 5.854 ( 1.007 3.875 -5.872) 7.107 6.056 ( 2.252 -2.320 -21.054) 21.301 6.480 ( -0.383 0.982 6.406) 6.492 6.695 ( 0.872 4.273 -11.691) 12.478 7.070 ( 2.732 -1.302 -9.328) 9.806 7.117 ( -2.203 -3.406 3.049) 5.074 10.672 ( 7.381 -3.098 2.141) 8.286 10.756 ( 3.277 -3.482 2.921) 5.603 11.377 ( 7.939 4.319 7.725) 11.890 11.585 ( -3.666 4.728 10.415) 12.011 12.344 ( -1.093 1.579 -16.421) 16.533 12.702 ( -21.090 -7.661 0.358) 22.441 14.071 ( 2.279 0.894 4.175) 4.840 14.155 ( 2.702 1.409 -4.834) 5.714 ======================= Grid point 48 (49/135) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 -6.697 -16.077) 17.416 1.203 ( -0.000 -20.630 -9.287) 22.624 1.774 ( -0.000 -2.164 -4.758) 5.227 2.764 ( 0.000 -4.283 -28.792) 29.108 2.910 ( 0.000 6.460 10.370) 12.218 3.181 ( -0.000 -7.066 9.329) 11.703 3.354 ( 0.000 6.378 -7.884) 10.141 3.482 ( 0.000 6.742 -4.338) 8.017 3.738 ( 0.000 -0.100 -8.302) 8.303 4.103 ( 0.000 6.625 0.861) 6.681 4.502 ( 0.000 8.932 5.092) 10.282 4.634 ( -0.000 -5.357 1.382) 5.533 4.747 ( 0.000 -0.261 -6.273) 6.279 4.859 ( -0.000 -1.021 2.407) 2.615 5.225 ( -0.000 -3.859 0.946) 3.973 5.284 ( 0.000 -0.146 -0.851) 0.863 5.905 ( 0.000 3.560 3.813) 5.216 6.360 ( -0.000 1.024 5.587) 5.680 6.619 ( -0.000 -1.094 6.886) 6.972 6.851 ( 0.000 5.888 3.204) 6.703 7.012 ( -0.000 -13.117 12.127) 17.864 7.204 ( 0.000 3.682 15.618) 16.047 10.113 ( 0.000 -1.125 -5.463) 5.578 10.432 ( 0.000 1.457 0.035) 1.457 11.088 ( -0.000 -1.603 -5.584) 5.810 11.730 ( 0.000 8.176 -9.556) 12.576 12.798 ( -0.000 -8.855 2.612) 9.232 13.659 ( 0.000 7.900 5.054) 9.379 13.795 ( 0.000 1.511 -3.862) 4.147 14.082 ( -0.000 -1.615 7.463) 7.635 ======================= Grid point 50 (50/135) ======================= q-point: (-0.07 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 10.200 0.000 21.094) 23.431 1.093 ( 22.902 -0.000 5.850) 23.637 1.887 ( 33.517 -0.000 10.416) 35.098 1.968 ( 9.067 -0.000 -3.076) 9.575 2.227 ( -15.549 0.000 36.087) 39.294 2.794 ( -9.331 0.000 2.607) 9.688 3.143 ( -18.336 0.000 -1.741) 18.419 3.474 ( 12.231 -0.000 -0.132) 12.231 3.714 ( -9.075 0.000 -4.723) 10.231 3.824 ( -19.740 0.000 1.137) 19.772 4.403 ( 5.335 -0.000 -3.661) 6.470 4.423 ( 8.464 -0.000 2.866) 8.936 4.751 ( -16.717 0.000 -11.494) 20.287 5.116 ( -4.975 0.000 3.292) 5.966 5.143 ( 4.604 -0.000 -5.277) 7.003 5.637 ( -0.415 0.000 9.557) 9.566 6.092 ( 1.613 -0.000 -12.552) 12.655 6.149 ( -0.980 0.000 2.185) 2.395 7.237 ( 3.585 -0.000 -8.756) 9.461 7.403 ( 10.048 -0.000 -9.787) 14.026 7.682 ( 2.326 -0.000 -14.166) 14.356 8.246 ( 5.841 -0.000 -27.493) 28.107 9.876 ( 1.988 0.000 11.754) 11.921 10.322 ( -17.116 0.000 43.732) 46.962 10.425 ( 1.547 0.000 3.435) 3.767 10.964 ( 0.281 0.000 1.793) 1.815 12.647 ( -0.532 0.000 3.437) 3.478 13.512 ( -11.468 0.000 -6.279) 13.075 13.926 ( 5.674 -0.000 -1.973) 6.007 14.383 ( 3.524 -0.000 -3.043) 4.655 ======================= Grid point 51 (51/135) ======================= q-point: ( 0.53 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -7.395 2.850 6.749) 10.410 1.718 ( -2.757 2.070 0.001) 3.448 2.009 ( 0.308 5.321 8.220) 9.797 2.594 ( 13.744 -5.212 15.326) 21.236 2.720 ( -4.437 -4.403 -11.605) 13.181 3.182 ( -0.302 -4.173 2.106) 4.684 3.349 ( 2.987 3.155 0.741) 4.408 3.529 ( 2.390 6.589 6.948) 9.869 3.724 ( 4.200 -0.326 20.584) 21.011 3.920 ( -7.254 5.471 5.884) 10.825 4.102 ( 12.363 -3.660 -10.065) 16.357 4.556 ( 9.135 -0.023 3.997) 9.972 4.650 ( -0.990 -3.602 -2.360) 4.419 5.047 ( -10.955 -2.530 0.283) 11.247 5.381 ( -0.016 4.303 0.134) 4.306 5.490 ( -5.464 3.236 2.113) 6.693 5.651 ( -1.742 -8.105 -4.110) 9.253 6.247 ( 0.803 -3.621 6.420) 7.414 6.572 ( 0.438 -3.986 -22.899) 23.247 6.761 ( -5.867 0.233 -4.874) 7.631 6.938 ( 0.737 -7.220 -11.654) 13.729 7.628 ( 2.907 13.788 -15.820) 21.186 10.228 ( -6.689 0.278 9.641) 11.737 10.379 ( -4.529 -2.726 0.378) 5.300 11.248 ( 2.839 7.126 19.443) 20.901 11.465 ( -1.670 -1.843 -3.222) 4.070 12.949 ( 17.112 -14.909 -3.139) 22.912 13.087 ( 5.409 7.019 5.722) 10.548 13.860 ( -7.966 -0.884 -1.653) 8.183 14.198 ( -2.870 1.356 -6.926) 7.618 ======================= Grid point 52 (52/135) ======================= q-point: ( 0.13 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -3.302 -1.796 -7.163) 8.089 1.984 ( -1.678 2.926 2.401) 4.141 2.242 ( 2.043 -3.501 -6.169) 7.382 2.371 ( 4.845 -0.049 4.859) 6.862 2.888 ( 1.982 -0.228 -7.512) 7.773 2.989 ( -6.896 3.379 1.682) 7.862 3.147 ( -3.409 -0.318 0.093) 3.425 3.212 ( 6.555 -2.576 5.065) 8.675 3.352 ( 1.545 -2.219 -3.007) 4.043 3.459 ( -0.530 2.092 7.725) 8.021 4.327 ( -7.303 6.242 -6.929) 11.845 4.470 ( 8.709 6.728 7.858) 13.523 4.770 ( 0.103 -4.644 -22.118) 22.601 5.068 ( -6.084 -7.783 5.891) 11.502 5.550 ( 0.714 -1.375 -6.239) 6.429 5.749 ( 0.393 4.154 3.394) 5.379 5.841 ( 1.806 1.703 -2.423) 3.469 6.083 ( 0.160 -2.388 19.053) 19.202 6.467 ( 0.882 2.431 -10.166) 10.490 6.690 ( 1.404 4.183 11.439) 12.261 7.054 ( 3.610 -2.449 0.183) 4.366 7.152 ( -5.015 -2.886 9.211) 10.877 10.741 ( 2.453 -5.480 -5.289) 8.001 10.793 ( -2.148 -4.149 -0.597) 4.710 11.491 ( 3.553 6.167 -9.645) 11.987 11.604 ( -12.055 11.083 -3.289) 16.702 12.249 ( 20.375 -6.755 -3.455) 21.742 12.468 ( -11.130 -3.804 12.851) 17.422 14.100 ( -0.335 0.476 -3.234) 3.286 14.186 ( -0.304 1.345 4.934) 5.123 ======================= Grid point 54 (53/135) ======================= q-point: ( 0.32 -0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -11.062 6.220 0.000) 12.691 1.138 ( -12.244 12.508 0.000) 17.503 1.648 ( -6.737 -5.657 0.000) 8.797 2.001 ( 7.579 0.592 -0.000) 7.603 2.223 ( -15.072 1.666 0.000) 15.164 2.725 ( 3.492 1.879 -0.000) 3.965 3.178 ( 7.500 6.984 -0.000) 10.248 3.570 ( -14.034 4.238 0.000) 14.660 3.616 ( 14.638 -8.491 -0.000) 16.922 3.889 ( 15.985 4.323 -0.000) 16.559 4.074 ( -7.292 -7.387 0.000) 10.380 4.619 ( -8.161 2.470 0.000) 8.527 4.848 ( 4.832 -8.025 -0.000) 9.367 4.955 ( 10.386 3.738 -0.000) 11.038 5.321 ( -6.820 2.251 0.000) 7.182 5.448 ( 3.134 -3.656 -0.000) 4.816 5.884 ( -7.390 -4.072 0.000) 8.438 6.240 ( 6.037 -5.583 -0.000) 8.222 7.382 ( -0.898 2.198 0.000) 2.374 7.588 ( -6.445 0.164 0.000) 6.447 7.752 ( -3.177 -4.111 0.000) 5.196 8.572 ( -4.696 -1.091 0.000) 4.821 9.627 ( 0.371 1.165 -0.000) 1.223 9.670 ( -0.228 -2.640 0.000) 2.650 10.372 ( -1.430 -0.765 0.000) 1.622 11.247 ( 10.218 13.083 -0.000) 16.600 12.632 ( 0.823 1.201 -0.000) 1.456 13.148 ( 1.031 -13.041 -0.000) 13.081 14.188 ( 0.077 2.884 -0.000) 2.885 14.531 ( -2.814 2.962 0.000) 4.086 ======================= Grid point 55 (54/135) ======================= q-point: (-0.08 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 6.729 0.000 13.389) 14.985 1.631 ( 14.179 -0.000 4.103) 14.761 2.043 ( 5.944 -0.000 0.269) 5.950 2.503 ( 4.517 0.000 10.141) 11.101 2.653 ( -3.439 0.000 6.281) 7.161 2.804 ( -12.525 0.000 0.675) 12.543 2.898 ( 0.708 0.000 30.104) 30.112 3.389 ( -9.342 0.000 -4.849) 10.526 3.533 ( -8.915 0.000 -0.263) 8.919 3.730 ( 11.808 -0.000 -2.251) 12.021 4.109 ( -8.489 -0.000 -9.909) 13.048 4.310 ( -9.764 0.000 -6.638) 11.807 4.691 ( 6.754 -0.000 3.963) 7.831 5.036 ( 0.238 -0.000 -6.284) 6.289 5.273 ( 4.545 0.000 10.233) 11.197 5.808 ( -0.601 0.000 5.241) 5.275 5.872 ( -2.644 -0.000 -8.222) 8.637 6.179 ( -3.362 0.000 5.709) 6.626 7.105 ( 2.126 -0.000 -10.040) 10.262 7.168 ( 0.139 -0.000 -22.848) 22.848 7.443 ( 4.559 -0.000 -15.335) 15.998 7.796 ( 2.682 -0.000 -24.066) 24.215 10.270 ( 5.434 0.000 16.941) 17.791 10.567 ( 1.732 0.000 6.504) 6.730 10.740 ( -12.592 0.000 29.719) 32.276 11.087 ( 6.011 -0.000 4.028) 7.236 12.689 ( 0.452 -0.000 0.116) 0.466 13.037 ( -16.407 0.000 -11.087) 19.802 14.006 ( 5.761 -0.000 -1.958) 6.085 14.357 ( 2.325 -0.000 -5.205) 5.701 ======================= Grid point 56 (55/135) ======================= q-point: ( 0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.000 -3.404 6.559) 7.390 1.627 ( 0.000 0.775 -5.704) 5.756 2.217 ( 0.000 6.371 12.029) 13.612 2.370 ( -0.000 -7.120 -15.210) 16.794 3.077 ( -0.000 -9.898 8.685) 13.168 3.212 ( -0.000 -0.344 4.298) 4.312 3.373 ( 0.000 1.744 -2.579) 3.114 3.526 ( 0.000 16.835 -1.882) 16.940 3.982 ( 0.000 4.850 6.685) 8.259 3.993 ( -0.000 -6.270 -8.172) 10.300 4.333 ( 0.000 6.963 22.586) 23.635 4.546 ( -0.000 -5.634 -12.381) 13.603 4.796 ( -0.000 -4.277 1.635) 4.578 4.818 ( -0.000 -4.132 1.356) 4.348 5.377 ( -0.000 -0.536 4.707) 4.737 5.516 ( 0.000 8.498 2.719) 8.923 5.589 ( -0.000 -6.223 3.129) 6.966 5.936 ( 0.000 -0.125 -23.811) 23.811 6.634 ( -0.000 -9.954 9.048) 13.452 6.685 ( 0.000 3.309 3.926) 5.134 6.771 ( -0.000 -8.561 -1.637) 8.716 7.308 ( 0.000 14.471 -17.925) 23.037 10.297 ( 0.000 2.002 5.110) 5.488 10.305 ( -0.000 -3.331 -1.873) 3.822 11.394 ( -0.000 -8.653 -2.617) 9.040 11.553 ( 0.000 14.609 7.373) 16.364 13.062 ( -0.000 -17.170 -3.965) 17.622 13.268 ( 0.000 10.300 4.993) 11.446 13.812 ( -0.000 -2.115 5.960) 6.324 14.013 ( 0.000 2.591 -7.586) 8.016 ======================= Grid point 57 (56/135) ======================= q-point: ( 0.12 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -8.739 -2.764 -8.411) 12.440 1.835 ( -7.614 6.671 -2.234) 10.366 2.096 ( -7.163 -2.440 -7.784) 10.856 2.545 ( 1.724 -3.268 1.197) 3.884 2.777 ( 6.410 0.606 -4.393) 7.794 2.889 ( 0.884 1.692 -4.514) 4.901 3.259 ( 8.091 -0.696 2.263) 8.430 3.379 ( 4.639 -0.136 -5.369) 7.096 3.484 ( 11.460 -3.189 0.232) 11.897 3.648 ( -3.776 2.122 8.766) 9.778 4.158 ( 5.529 -0.458 -17.641) 18.493 4.246 ( -3.600 3.354 -0.254) 4.927 4.786 ( 4.734 5.145 -1.103) 7.078 4.946 ( -4.109 -1.807 3.504) 5.694 5.485 ( -6.521 1.332 -9.590) 11.673 5.607 ( 3.003 -8.429 3.212) 9.507 5.935 ( -1.841 4.634 2.065) 5.397 6.306 ( 2.259 -0.581 -6.406) 6.817 6.626 ( 0.535 -1.289 26.951) 26.987 6.926 ( -1.885 3.589 10.701) 11.444 7.173 ( -2.125 -1.931 8.457) 8.931 7.349 ( -2.002 -1.319 17.498) 17.661 10.537 ( -5.891 -2.741 -10.530) 12.373 10.674 ( -3.123 -2.324 -5.171) 6.473 11.172 ( -5.558 0.497 -13.418) 14.533 11.320 ( 5.968 5.418 -14.373) 16.479 12.600 ( 1.328 -0.692 8.816) 8.942 12.786 ( 17.298 -5.096 7.673) 19.597 14.011 ( -3.105 1.020 -1.271) 3.507 14.267 ( -2.393 2.063 5.795) 6.601 ======================= Grid point 59 (57/135) ======================= q-point: ( 0.32 -0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -3.804 15.450 9.884) 18.731 1.041 ( -7.252 6.208 24.843) 26.614 1.689 ( -3.434 -5.261 9.860) 11.691 1.971 ( -9.007 22.254 5.142) 24.552 2.457 ( 12.093 -2.675 23.706) 26.746 2.761 ( -1.410 -5.008 5.085) 7.275 3.276 ( -9.945 -0.367 -1.001) 10.002 3.389 ( 6.015 -1.175 0.173) 6.131 3.776 ( 7.194 -4.977 -10.615) 13.755 3.996 ( -1.377 -8.609 1.076) 8.785 4.274 ( 17.738 0.906 2.730) 17.970 4.429 ( -3.564 3.263 -1.196) 4.978 4.786 ( -2.521 -0.934 -4.403) 5.159 5.160 ( -3.502 0.241 -3.606) 5.032 5.175 ( -1.226 -0.143 5.976) 6.102 5.482 ( -4.277 -4.835 0.642) 6.488 5.785 ( 0.560 0.888 3.632) 3.781 6.181 ( -5.374 -5.264 -5.251) 9.174 7.191 ( -6.523 1.702 -11.088) 12.976 7.505 ( 6.697 -0.790 -11.274) 13.137 7.569 ( 1.496 -2.539 -11.161) 11.543 8.090 ( -9.210 7.357 -21.009) 24.090 9.780 ( -1.777 -2.811 10.002) 10.540 10.158 ( 3.339 -8.268 34.966) 36.085 10.368 ( -1.372 -1.298 2.118) 2.837 11.442 ( 5.373 8.077 1.039) 9.756 12.711 ( 0.932 2.198 5.672) 6.154 13.297 ( 17.057 -9.171 -1.492) 19.424 14.067 ( -8.004 -0.124 -5.317) 9.610 14.404 ( -4.320 2.457 -3.855) 6.290 ======================= Grid point 60 (58/135) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 4.628 0.000 8.605) 9.770 1.836 ( 4.918 -0.000 4.121) 6.416 2.223 ( -2.859 0.000 2.915) 4.083 2.387 ( -13.578 0.000 -0.222) 13.580 2.774 ( 6.408 0.000 9.631) 11.568 2.876 ( 2.423 -0.000 1.599) 2.903 3.248 ( 6.076 -0.000 -7.006) 9.274 3.272 ( -2.795 0.000 8.163) 8.628 3.387 ( -5.453 0.000 0.914) 5.529 3.576 ( -6.359 -0.000 -11.481) 13.125 4.078 ( 1.087 0.000 11.898) 11.948 4.372 ( 10.978 -0.000 11.760) 16.088 4.594 ( -6.735 -0.000 -9.921) 11.991 5.137 ( 8.513 -0.000 3.190) 9.092 5.574 ( 3.089 0.000 6.282) 7.000 5.680 ( -3.400 0.000 -0.346) 3.417 5.791 ( -5.745 0.000 -1.358) 5.904 6.248 ( -3.005 0.000 7.672) 8.239 6.620 ( -1.475 -0.000 -26.596) 26.636 6.887 ( -1.606 -0.000 -11.941) 12.048 7.188 ( -2.674 -0.000 -10.407) 10.745 7.446 ( 5.284 -0.000 -16.497) 17.323 10.647 ( -0.893 0.000 11.743) 11.777 10.720 ( -1.997 0.000 7.126) 7.400 11.152 ( 0.801 0.000 24.511) 24.524 11.357 ( 11.143 -0.000 3.540) 11.692 12.409 ( -20.303 0.000 -11.367) 23.268 12.691 ( 6.936 -0.000 -5.612) 8.922 14.070 ( 2.363 -0.000 -0.521) 2.419 14.275 ( 0.554 -0.000 -5.515) 5.543 ======================= Grid point 62 (59/135) ======================= q-point: ( 0.11 -0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -15.463 -0.163 -9.856) 18.337 1.488 ( -12.859 11.826 -11.030) 20.661 1.889 ( -5.873 -1.968 0.965) 6.269 2.280 ( -11.449 1.464 -17.560) 21.014 2.806 ( 10.124 -2.128 -10.121) 14.472 2.969 ( 5.458 -1.751 -26.365) 26.981 3.089 ( 13.226 1.533 3.527) 13.774 3.478 ( -10.998 0.713 2.218) 11.243 3.570 ( 3.824 -0.823 5.115) 6.440 3.845 ( 21.233 0.431 0.363) 21.240 4.264 ( 7.765 -1.246 7.446) 10.830 4.314 ( -3.447 -11.545 -0.147) 12.050 4.700 ( 0.024 7.750 0.809) 7.792 5.103 ( 2.229 3.839 3.357) 5.566 5.196 ( -2.485 0.730 -5.117) 5.735 5.711 ( -0.529 -8.007 1.860) 8.237 5.883 ( -5.398 2.071 0.829) 5.841 6.231 ( 1.756 -0.851 -4.298) 4.720 7.071 ( -4.429 1.603 10.248) 11.278 7.135 ( -1.784 0.905 18.938) 19.044 7.314 ( -4.970 -0.524 16.182) 16.937 7.724 ( -3.466 -0.508 22.407) 22.679 10.140 ( -6.047 -0.459 -13.269) 14.589 10.499 ( -3.025 -1.301 -4.324) 5.435 10.840 ( 4.557 -9.006 -19.911) 22.323 11.214 ( 9.322 8.180 -11.160) 16.684 12.719 ( 2.013 1.932 -1.040) 2.978 13.236 ( 11.726 -11.653 5.076) 17.293 13.963 ( -2.384 5.131 3.160) 6.481 14.324 ( -3.411 2.710 5.508) 7.022 ======================= Grid point 63 (60/135) ======================= q-point: (-0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 12.452 -1.792 -0.000) 12.581 1.453 ( 21.080 2.987 -0.000) 21.291 1.573 ( -7.389 -1.446 0.000) 7.529 2.128 ( 3.786 3.868 -0.000) 5.413 2.505 ( -14.418 6.043 0.000) 15.633 2.598 ( 11.626 -0.136 -0.000) 11.627 2.878 ( 4.329 -16.035 -0.000) 16.609 3.425 ( -13.606 5.256 0.000) 14.586 3.548 ( -8.275 -1.082 0.000) 8.345 3.765 ( 11.860 -4.009 -0.000) 12.519 4.412 ( 1.747 5.804 -0.000) 6.062 4.576 ( -9.204 -3.599 0.000) 9.883 4.736 ( 9.161 -3.924 -0.000) 9.966 4.812 ( -10.286 4.309 0.000) 11.152 5.418 ( 5.637 -1.230 -0.000) 5.770 5.418 ( -4.885 2.516 0.000) 5.495 6.031 ( -1.100 2.681 0.000) 2.898 6.131 ( -7.553 0.556 0.000) 7.573 7.393 ( 0.968 -0.331 -0.000) 1.023 7.684 ( 3.409 -2.321 -0.000) 4.124 7.885 ( 3.669 2.269 -0.000) 4.314 8.688 ( 0.800 3.476 -0.000) 3.567 9.591 ( -0.632 -1.184 0.000) 1.342 9.718 ( -0.131 1.844 0.000) 1.849 10.402 ( 0.561 0.085 -0.000) 0.568 11.001 ( 2.177 -1.408 -0.000) 2.592 12.607 ( 0.012 -0.395 0.000) 0.395 13.294 ( -7.865 4.672 0.000) 9.148 14.117 ( 3.120 -2.625 -0.000) 4.077 14.514 ( 2.294 -3.009 -0.000) 3.784 ======================= Grid point 64 (61/135) ======================= q-point: ( 0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 12.443 8.032) 14.810 1.440 ( 0.000 13.856 11.544) 18.035 1.772 ( 0.000 3.488 2.526) 4.307 2.258 ( 0.000 15.991 28.770) 32.915 2.869 ( -0.000 -6.979 4.483) 8.295 3.109 ( -0.000 -4.524 -0.128) 4.526 3.178 ( -0.000 -9.469 25.729) 27.416 3.453 ( -0.000 -3.735 -0.960) 3.856 3.538 ( 0.000 1.360 -14.185) 14.250 3.996 ( -0.000 -8.829 -0.437) 8.840 4.472 ( 0.000 3.564 4.361) 5.632 4.615 ( -0.000 -0.587 3.979) 4.022 4.631 ( -0.000 -5.281 -5.123) 7.357 4.997 ( 0.000 3.017 -4.266) 5.225 5.240 ( -0.000 0.626 4.007) 4.055 5.381 ( 0.000 2.492 -3.077) 3.959 5.908 ( -0.000 -5.746 -5.948) 8.270 6.093 ( -0.000 -2.942 13.491) 13.808 6.843 ( 0.000 1.219 -12.735) 12.793 7.151 ( 0.000 -4.584 -22.550) 23.011 7.421 ( -0.000 -8.516 -16.190) 18.293 7.607 ( 0.000 20.366 -13.415) 24.387 9.960 ( -0.000 -1.184 9.858) 9.929 10.381 ( -0.000 -2.307 1.067) 2.542 10.809 ( -0.000 -4.432 22.412) 22.847 11.513 ( -0.000 -1.576 1.766) 2.367 12.868 ( 0.000 4.472 7.291) 8.553 13.580 ( -0.000 -10.523 -6.534) 12.387 13.747 ( -0.000 -0.811 -1.121) 1.383 14.259 ( 0.000 2.392 -5.736) 6.215 ======================= Grid point 65 (62/135) ======================= q-point: (-0.09 -0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -8.236 0.000 -3.656) 9.012 1.901 ( -5.283 0.000 -3.407) 6.287 2.211 ( -4.321 0.000 8.807) 9.810 2.323 ( 6.481 0.000 10.558) 12.388 2.741 ( -8.384 0.000 -8.246) 11.760 3.121 ( -1.888 0.000 -2.044) 2.783 3.241 ( 2.459 0.000 3.187) 4.026 3.290 ( 17.709 -0.000 2.122) 17.836 3.389 ( 5.156 -0.000 0.471) 5.177 3.580 ( 11.747 -0.000 -0.748) 11.771 4.214 ( -6.925 -0.000 -9.818) 12.015 4.477 ( 8.792 0.000 12.541) 15.316 4.813 ( -0.136 0.000 13.041) 13.042 5.286 ( 4.262 -0.000 -10.896) 11.700 5.502 ( -9.535 0.000 -3.125) 10.034 5.586 ( -0.570 0.000 5.787) 5.815 5.813 ( -2.471 0.000 8.841) 9.179 6.054 ( -4.403 -0.000 -20.106) 20.583 6.412 ( -1.289 0.000 10.500) 10.579 6.613 ( -1.982 -0.000 -8.637) 8.862 6.984 ( -4.853 0.000 0.142) 4.855 7.309 ( 6.593 -0.000 -10.950) 12.782 10.715 ( -9.390 0.000 3.095) 9.887 10.739 ( -5.799 0.000 5.423) 7.940 11.569 ( 1.684 -0.000 -6.836) 7.040 11.627 ( 13.223 -0.000 -3.241) 13.615 11.935 ( -11.563 0.000 17.201) 20.727 12.835 ( 16.845 -0.000 -3.521) 17.209 14.075 ( -2.632 0.000 1.620) 3.091 14.156 ( -1.438 -0.000 -5.180) 5.376 ======================= Grid point 66 (63/135) ======================= q-point: (-0.49 0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 8.964 -7.226 -9.791) 15.114 1.767 ( 7.608 -4.026 -0.003) 8.608 1.971 ( 4.528 -2.647 -9.020) 10.434 2.487 ( -5.722 6.827 -8.974) 12.644 2.848 ( -2.927 5.608 0.064) 6.327 3.032 ( -5.868 -5.680 5.738) 9.981 3.366 ( -1.630 2.888 -0.418) 3.342 3.452 ( -0.912 -1.678 -10.431) 10.604 3.605 ( -4.913 -1.856 -2.604) 5.862 3.824 ( -15.952 0.446 1.999) 16.083 4.060 ( 7.154 3.360 -3.532) 8.657 4.355 ( -8.041 -0.367 -9.615) 12.540 4.757 ( 4.176 0.851 2.710) 5.051 5.130 ( -5.446 -6.484 2.471) 8.821 5.342 ( 6.031 1.293 -7.001) 9.331 5.539 ( 0.726 1.549 1.064) 2.015 5.863 ( 6.421 2.321 3.025) 7.468 6.302 ( -0.237 2.479 -4.758) 5.370 6.609 ( -0.830 1.856 25.269) 25.351 6.897 ( 3.873 1.188 7.733) 8.729 7.056 ( 3.084 3.285 8.910) 9.984 7.375 ( -0.398 -7.140 16.191) 17.700 10.373 ( 7.526 -0.299 -9.211) 11.899 10.540 ( 5.558 2.122 -2.877) 6.609 11.119 ( 0.764 -2.655 -14.406) 14.669 11.487 ( -3.060 0.122 -6.282) 6.989 12.753 ( -10.367 -3.259 3.187) 11.325 12.929 ( -12.605 10.730 2.158) 16.693 13.977 ( 3.400 -1.082 0.376) 3.587 14.245 ( 3.733 -2.052 6.745) 7.977 ======================= Grid point 68 (64/135) ======================= q-point: (-0.29 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 5.366 1.674 10.957) 12.314 1.860 ( 2.533 -1.318 2.687) 3.921 1.890 ( 3.721 0.957 24.966) 25.260 2.050 ( 0.760 2.858 6.548) 7.184 2.241 ( -13.581 6.824 7.178) 16.809 2.565 ( -7.507 -5.308 0.227) 9.197 3.145 ( 8.661 -9.484 -5.845) 14.111 3.232 ( -2.526 5.046 2.010) 5.990 3.496 ( 6.187 1.859 -3.377) 7.290 3.989 ( 2.286 -5.014 -1.357) 5.675 4.175 ( -2.849 -6.048 -0.421) 6.699 4.349 ( -4.651 2.273 -13.105) 14.090 4.774 ( 8.514 3.463 1.822) 9.370 5.087 ( 1.531 1.781 10.396) 10.658 5.215 ( -0.176 -1.700 -4.561) 4.871 5.545 ( -3.071 6.030 2.660) 7.270 5.956 ( -4.278 -4.225 -1.173) 6.126 6.017 ( -3.731 0.451 2.261) 4.386 7.316 ( -0.981 -1.899 -6.350) 6.700 7.557 ( -1.163 -2.203 -13.735) 13.959 7.774 ( -1.260 2.072 -12.919) 13.144 8.358 ( 1.880 2.128 -25.253) 25.412 9.908 ( -4.356 0.767 23.581) 23.992 9.952 ( 1.213 0.094 21.834) 21.868 10.451 ( -0.791 -0.175 4.508) 4.580 11.174 ( 11.581 4.742 2.645) 12.791 12.659 ( 1.235 0.115 3.611) 3.819 12.970 ( -13.297 -3.678 -9.149) 16.554 14.173 ( 4.438 1.757 -3.082) 5.682 14.512 ( 0.945 -2.469 -3.463) 4.356 ======================= Grid point 70 (65/135) ======================= q-point: (-0.10 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -13.165 0.000 -4.402) 13.881 1.602 ( -10.061 0.000 -8.883) 13.421 2.123 ( -8.112 -0.000 -10.435) 13.217 2.616 ( 0.722 0.000 11.806) 11.829 2.672 ( 9.471 -0.000 2.621) 9.827 3.261 ( 1.438 -0.000 -0.348) 1.480 3.279 ( 8.205 -0.000 6.784) 10.646 3.481 ( 2.211 -0.000 -11.459) 11.671 3.585 ( 9.340 -0.000 -1.179) 9.414 3.864 ( 17.991 -0.000 -0.987) 18.018 4.187 ( 7.926 0.000 9.634) 12.475 4.719 ( -9.099 0.000 -1.490) 9.220 4.742 ( -4.309 -0.000 -25.090) 25.457 4.914 ( 5.298 -0.000 5.826) 7.874 5.468 ( -2.724 -0.000 -4.050) 4.881 5.599 ( -9.172 0.000 -5.018) 10.455 5.795 ( -0.157 0.000 5.968) 5.970 6.020 ( -2.803 0.000 23.206) 23.375 6.491 ( 0.643 -0.000 -2.064) 2.161 6.621 ( -0.724 0.000 11.385) 11.408 7.026 ( -2.573 0.000 10.894) 11.194 7.191 ( 1.201 -0.000 -9.871) 9.944 10.480 ( -11.951 0.000 -2.691) 12.250 10.648 ( -7.600 0.000 -0.093) 7.600 11.230 ( -5.021 -0.000 -8.050) 9.487 11.754 ( 13.406 -0.000 -11.582) 17.716 12.358 ( 3.685 0.000 17.287) 17.675 13.205 ( 18.251 -0.000 1.872) 18.347 14.001 ( -2.926 -0.000 -5.358) 6.105 14.058 ( -4.892 0.000 5.190) 7.132 ======================= Grid point 71 (66/135) ======================= q-point: (-0.50 0.28 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 4.333 -3.508 -10.142) 11.573 1.828 ( 9.693 -0.343 -14.605) 17.533 1.912 ( 3.239 0.861 1.496) 3.670 2.425 ( 7.001 5.344 -3.372) 9.431 2.588 ( -8.085 2.470 -8.217) 11.789 2.784 ( -8.860 0.856 -25.090) 26.622 3.115 ( 3.055 -7.700 -1.462) 8.412 3.294 ( -8.385 3.788 1.006) 9.256 3.521 ( -12.275 -2.254 3.300) 12.909 3.860 ( 9.666 -1.873 6.648) 11.880 4.075 ( -6.008 0.110 8.564) 10.462 4.287 ( 8.391 1.102 -1.380) 8.575 4.789 ( -4.017 -4.578 -2.964) 6.774 5.143 ( -0.657 -4.313 8.146) 9.241 5.253 ( 1.833 3.148 -10.054) 10.693 5.497 ( -3.937 6.005 -0.771) 7.222 6.011 ( 3.688 -0.491 0.029) 3.721 6.137 ( -2.656 2.562 -5.315) 6.471 7.123 ( 0.364 0.945 18.811) 18.838 7.226 ( 3.740 -2.667 15.496) 16.162 7.381 ( 4.040 3.104 14.440) 15.312 7.775 ( 0.355 -1.410 23.696) 23.741 10.224 ( 3.282 1.425 -15.675) 16.078 10.531 ( 2.423 0.391 -7.235) 7.640 10.658 ( -1.869 3.050 -29.472) 29.689 11.209 ( -5.157 -5.715 -6.933) 10.359 12.712 ( -1.504 -1.350 0.818) 2.180 12.863 ( -4.895 7.989 11.054) 14.491 14.059 ( 0.803 -1.896 3.140) 3.755 14.432 ( 1.754 -1.987 5.790) 6.367 ======================= Grid point 72 (67/135) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.237 ( 0.000 11.392 -0.000) 11.392 0.461 ( 0.000 23.345 -0.000) 23.345 0.951 ( 0.000 48.443 -0.000) 48.443 1.584 ( -0.000 -10.135 0.000) 10.135 2.168 ( 0.000 9.646 -0.000) 9.646 2.881 ( -0.000 -9.562 0.000) 9.562 3.148 ( -0.000 -0.135 0.000) 0.135 3.659 ( -0.000 -8.722 0.000) 8.722 3.979 ( 0.000 1.383 -0.000) 1.383 4.229 ( 0.000 5.054 -0.000) 5.054 4.246 ( -0.000 -6.326 0.000) 6.326 4.400 ( 0.000 1.100 -0.000) 1.100 4.788 ( -0.000 -0.733 0.000) 0.733 4.993 ( -0.000 -0.122 0.000) 0.122 5.212 ( -0.000 -1.342 0.000) 1.342 5.419 ( 0.000 1.058 -0.000) 1.058 5.754 ( 0.000 1.238 -0.000) 1.238 6.254 ( -0.000 -3.207 0.000) 3.207 7.242 ( 0.000 0.281 -0.000) 0.281 7.765 ( -0.000 -3.686 0.000) 3.686 7.988 ( 0.000 8.571 -0.000) 8.571 8.015 ( -0.000 -5.786 0.000) 5.786 9.613 ( 0.000 0.929 -0.000) 0.929 9.721 ( -0.000 -2.266 0.000) 2.266 10.352 ( -0.000 -0.662 0.000) 0.662 11.416 ( 0.000 2.827 -0.000) 2.827 12.626 ( 0.000 1.089 -0.000) 1.089 13.812 ( -0.000 -0.440 0.000) 0.440 13.909 ( -0.000 -5.802 0.000) 5.802 14.333 ( 0.000 2.769 -0.000) 2.769 ======================= Grid point 73 (68/135) ======================= q-point: ( 0.70 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 6.992 4.411 11.760) 14.374 1.817 ( -3.321 2.518 5.820) 7.159 1.967 ( -12.508 1.286 4.945) 13.512 2.180 ( -9.842 -6.036 -2.631) 11.842 2.599 ( 8.787 4.895 12.293) 15.884 2.769 ( 4.241 -0.132 33.529) 33.796 3.101 ( 3.190 -6.683 -2.634) 7.860 3.261 ( -0.730 -2.320 0.486) 2.480 3.620 ( 14.442 2.509 -6.928) 16.214 3.676 ( -12.371 -4.216 -11.430) 17.363 4.103 ( 8.493 1.006 -4.414) 9.624 4.428 ( 2.443 2.559 5.282) 6.357 4.769 ( -1.719 -3.380 -8.406) 9.222 5.179 ( 4.425 2.532 5.297) 7.352 5.409 ( -0.835 7.201 1.314) 7.367 5.453 ( -0.980 2.178 4.197) 4.829 5.837 ( -6.690 -9.247 -0.721) 11.436 6.050 ( -1.693 -0.870 6.232) 6.517 7.086 ( -2.474 -0.965 -16.126) 16.343 7.139 ( -2.858 -3.890 -18.102) 18.735 7.362 ( -7.244 1.239 -16.118) 17.714 7.925 ( 5.158 3.608 -21.368) 22.276 10.231 ( -5.681 1.071 17.582) 18.508 10.514 ( -4.607 -0.832 7.000) 8.421 10.578 ( 3.170 -0.731 30.956) 31.127 11.537 ( 15.611 10.081 1.943) 18.684 12.445 ( -10.909 -10.944 -13.685) 20.641 12.804 ( 4.872 1.571 4.378) 6.736 14.146 ( 0.606 2.443 -4.932) 5.537 14.416 ( -0.766 -2.134 -5.760) 6.190 ======================= Grid point 74 (69/135) ======================= q-point: ( 0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 7.363 4.640 8.043) 11.850 1.755 ( 7.914 1.655 -1.256) 8.182 2.182 ( 3.419 2.582 11.423) 12.200 2.464 ( -3.280 -3.091 -9.357) 10.386 2.891 ( -2.737 1.718 -2.783) 4.264 2.918 ( -5.856 -5.745 1.010) 8.266 3.399 ( -1.860 4.355 1.203) 4.886 3.502 ( -2.660 -2.054 1.737) 3.783 3.638 ( -14.015 1.959 -0.068) 14.151 3.764 ( -15.451 -4.350 -3.732) 16.480 4.225 ( 6.449 4.708 7.941) 11.261 4.481 ( 2.210 -5.221 -1.286) 5.813 4.883 ( -1.256 -3.007 15.785) 16.117 5.048 ( -4.517 6.926 -6.472) 10.501 5.489 ( 4.022 -1.976 6.140) 7.601 5.554 ( 6.664 3.063 4.495) 8.602 5.792 ( 5.364 -2.652 -3.026) 6.705 5.984 ( 1.594 -0.901 -24.203) 24.272 6.508 ( -1.204 0.860 6.295) 6.467 6.716 ( 0.279 -0.923 -10.224) 10.270 7.033 ( 1.082 -6.635 6.530) 9.372 7.087 ( 0.168 6.825 -11.550) 13.417 10.501 ( 8.461 1.986 3.137) 9.239 10.578 ( 6.849 -3.386 0.858) 7.688 11.339 ( 3.685 6.812 7.642) 10.880 11.569 ( 0.613 -6.965 0.980) 7.060 12.677 ( -13.281 11.925 -4.761) 18.473 12.892 ( -17.093 -13.492 -0.236) 21.778 14.021 ( 3.883 -0.153 4.202) 5.723 14.110 ( 4.407 1.737 -6.079) 7.707 ======================= Grid point 75 (70/135) ======================= q-point: (-0.10 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -13.089 0.000 -12.046) 17.788 1.135 ( -11.624 -0.000 -13.922) 18.136 1.806 ( -4.786 0.000 -4.568) 6.616 2.682 ( 2.943 -0.000 -21.125) 21.329 3.005 ( 4.584 0.000 18.318) 18.883 3.131 ( -6.892 0.000 -7.588) 10.251 3.306 ( 7.654 -0.000 -5.347) 9.337 3.562 ( 0.791 -0.000 -11.271) 11.299 3.588 ( 8.785 -0.000 3.555) 9.477 4.298 ( 14.917 -0.000 3.291) 15.275 4.378 ( -5.582 -0.000 -6.613) 8.654 4.450 ( 8.705 -0.000 -0.055) 8.705 4.616 ( 7.187 -0.000 2.559) 7.630 5.024 ( -5.319 0.000 1.711) 5.587 5.164 ( -3.656 -0.000 -4.980) 6.178 5.484 ( -11.578 0.000 4.628) 12.468 5.884 ( 3.431 -0.000 1.562) 3.770 6.365 ( 0.284 0.000 3.139) 3.152 6.630 ( -1.222 0.000 16.938) 16.982 6.854 ( 1.420 0.000 10.366) 10.463 6.975 ( -5.616 0.000 -0.601) 5.648 7.271 ( -2.460 0.000 16.861) 17.039 10.180 ( -7.089 0.000 -5.772) 9.142 10.493 ( -4.272 0.000 -1.234) 4.447 11.076 ( -0.254 -0.000 -3.502) 3.511 11.716 ( 9.338 -0.000 -14.421) 17.181 12.677 ( 2.174 0.000 7.110) 7.435 13.600 ( 12.405 -0.000 4.188) 13.093 13.838 ( -2.568 -0.000 -3.877) 4.650 14.101 ( -3.136 0.000 6.960) 7.633 ======================= Grid point 78 (71/135) ======================= q-point: ( 0.69 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -14.895 1.442 0.246) 14.966 1.825 ( -4.967 1.387 -0.383) 5.171 2.006 ( 2.590 -0.993 9.142) 9.554 2.267 ( 10.443 -2.009 14.048) 17.619 2.807 ( -3.731 1.806 -9.957) 10.786 3.118 ( 1.459 1.542 -0.185) 2.131 3.253 ( 3.501 -3.626 3.575) 6.179 3.419 ( 7.010 -6.247 8.091) 12.394 3.590 ( 6.104 2.484 21.640) 22.621 3.766 ( 14.501 -0.168 -8.604) 16.863 4.269 ( 0.442 4.640 -1.728) 4.971 4.388 ( 1.058 -0.706 2.595) 2.891 4.660 ( -2.102 0.613 0.333) 2.215 5.239 ( -9.228 3.005 0.181) 9.706 5.384 ( 4.875 2.735 1.236) 5.725 5.603 ( -1.435 0.869 4.307) 4.622 5.622 ( -8.170 -8.158 -1.761) 11.679 6.188 ( -0.780 -2.314 8.527) 8.870 6.534 ( -1.733 -1.145 -26.687) 26.767 6.805 ( -2.120 -3.783 -11.719) 12.496 6.937 ( -7.230 -0.163 -7.616) 10.502 7.699 ( 7.534 5.789 -15.671) 18.326 10.383 ( -7.055 0.966 9.802) 12.116 10.485 ( -8.785 -1.971 4.610) 10.115 11.288 ( 4.205 4.593 27.346) 28.046 11.596 ( -5.759 7.053 -8.430) 12.408 12.284 ( 17.122 -15.047 -5.266) 23.394 13.044 ( 8.909 3.993 4.721) 10.844 14.002 ( -5.432 0.677 -3.323) 6.403 14.257 ( -2.106 -0.930 -6.416) 6.817 ======================= Grid point 79 (72/135) ======================= q-point: (-0.71 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 4.024 -3.020 -6.070) 7.884 1.919 ( 8.528 0.816 5.171) 10.007 2.203 ( -0.837 0.197 -9.667) 9.705 2.358 ( -2.770 1.408 2.491) 3.983 2.790 ( 5.325 3.974 -3.266) 7.404 2.995 ( 2.583 -4.728 4.774) 7.199 3.293 ( -11.137 0.639 -4.551) 12.048 3.354 ( -5.085 0.790 1.196) 5.283 3.395 ( -14.197 0.430 -0.010) 14.203 3.515 ( -3.325 -0.802 6.287) 7.157 4.396 ( 6.797 7.627 -1.587) 10.339 4.571 ( 4.739 -9.934 -5.576) 12.339 4.695 ( -5.917 8.344 -8.812) 13.501 5.029 ( -7.926 -8.286 5.858) 12.876 5.516 ( 1.712 0.787 -13.191) 13.325 5.748 ( 5.302 -2.341 -5.615) 8.070 5.834 ( 4.558 6.336 7.493) 10.820 6.010 ( 1.411 -1.780 21.726) 21.845 6.502 ( 0.927 2.085 -12.081) 12.294 6.718 ( 3.455 3.574 10.647) 11.750 6.970 ( 1.796 1.552 -0.102) 2.376 7.170 ( -4.343 -6.088 10.567) 12.945 10.610 ( 3.685 0.123 -4.592) 5.888 10.708 ( 3.265 -3.671 -0.031) 4.913 11.486 ( 5.483 3.930 -8.572) 10.908 11.728 ( 14.240 -7.379 -1.039) 16.072 12.200 ( -18.167 14.968 -4.754) 24.014 12.621 ( -14.381 -8.985 8.974) 19.185 14.085 ( 2.388 0.318 -3.600) 4.332 14.190 ( 1.928 0.405 5.798) 6.124 ======================= Grid point 80 (73/135) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 -0.000 -17.452) 17.452 0.632 ( 0.000 -0.000 -16.801) 16.801 1.711 ( 0.000 -0.000 -0.492) 0.492 1.949 ( 0.000 -0.000 -43.265) 43.265 3.003 ( 0.000 -0.000 -1.224) 1.224 3.296 ( 0.000 -0.000 -5.841) 5.841 3.452 ( 0.000 -0.000 -1.678) 1.678 3.489 ( -0.000 0.000 21.118) 21.118 3.726 ( 0.000 -0.000 -0.973) 0.973 4.096 ( 0.000 -0.000 -3.323) 3.323 4.477 ( 0.000 -0.000 -12.077) 12.077 4.749 ( -0.000 0.000 9.216) 9.216 4.751 ( -0.000 0.000 3.199) 3.199 4.785 ( 0.000 -0.000 -5.727) 5.727 5.266 ( -0.000 0.000 5.918) 5.918 5.282 ( 0.000 -0.000 -0.618) 0.618 5.983 ( -0.000 0.000 1.400) 1.400 6.166 ( 0.000 -0.000 -16.610) 16.610 6.824 ( -0.000 0.000 12.163) 12.163 7.070 ( -0.000 0.000 7.927) 7.927 7.259 ( -0.000 0.000 22.442) 22.442 7.598 ( -0.000 0.000 17.722) 17.722 9.976 ( 0.000 -0.000 -7.224) 7.224 10.426 ( 0.000 -0.000 -1.776) 1.776 11.023 ( 0.000 -0.000 -2.023) 2.023 11.581 ( 0.000 -0.000 -9.450) 9.450 12.742 ( 0.000 -0.000 -2.008) 2.008 13.771 ( -0.000 0.000 0.208) 0.208 13.840 ( -0.000 0.000 4.602) 4.602 14.197 ( -0.000 0.000 5.194) 5.194 ======================= Grid point 81 (74/135) ======================= q-point: ( 0.49 -0.49 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -6.564 4.546 0.000) 7.985 1.593 ( -12.071 10.127 0.000) 15.756 1.649 ( 7.049 1.908 -0.000) 7.303 1.890 ( -8.429 -7.373 0.000) 11.199 2.303 ( 11.116 -2.630 -0.000) 11.423 2.464 ( -3.958 -5.624 0.000) 6.877 3.223 ( 8.390 -2.869 -0.000) 8.867 3.443 ( -3.353 1.071 0.000) 3.520 3.670 ( 12.891 5.048 -0.000) 13.844 3.949 ( -11.010 4.028 0.000) 11.724 4.125 ( -8.132 -4.967 0.000) 9.529 4.568 ( 5.263 -6.982 -0.000) 8.743 4.786 ( 3.933 6.829 -0.000) 7.881 4.873 ( 1.089 5.443 -0.000) 5.551 5.316 ( 5.494 -1.870 -0.000) 5.803 5.464 ( -3.592 0.772 0.000) 3.674 5.931 ( -4.645 -3.492 0.000) 5.811 6.007 ( 3.089 -4.647 -0.000) 5.580 7.393 ( -1.156 -1.871 0.000) 2.200 7.725 ( -4.158 -4.524 0.000) 6.145 7.785 ( -6.165 2.162 0.000) 6.533 8.644 ( -0.576 2.731 0.000) 2.791 9.604 ( -0.348 -2.488 0.000) 2.512 9.675 ( -0.066 1.883 -0.000) 1.884 10.389 ( -1.350 -0.596 0.000) 1.476 11.250 ( 13.049 11.838 -0.000) 17.619 12.630 ( 1.045 0.643 -0.000) 1.227 12.982 ( -8.219 -11.338 0.000) 14.004 14.224 ( 2.034 3.114 -0.000) 3.719 14.589 ( -0.641 -0.637 0.000) 0.904 ======================= Grid point 83 (75/135) ======================= q-point: (-0.32 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -8.170 -6.084 1.335) 10.273 1.657 ( -3.806 -0.946 -7.264) 8.256 2.217 ( 1.683 -1.107 1.106) 2.298 2.402 ( -6.326 0.696 -5.110) 8.162 2.796 ( 10.409 -3.208 10.998) 15.479 3.218 ( 1.335 0.591 2.223) 2.660 3.340 ( 6.377 1.305 0.355) 6.519 3.744 ( 4.382 0.845 -7.860) 9.038 3.905 ( 9.947 7.760 1.194) 12.672 4.023 ( 6.118 5.079 8.828) 11.881 4.230 ( 7.613 -4.550 2.759) 9.288 4.535 ( -2.980 5.055 -2.395) 6.338 4.689 ( -3.155 -3.896 12.760) 13.710 4.930 ( -13.973 -7.200 -4.640) 16.390 5.412 ( -2.804 -0.093 -1.159) 3.035 5.530 ( -3.290 -3.102 10.877) 11.780 5.675 ( -0.920 5.904 2.848) 6.619 5.919 ( -0.063 -1.449 -23.809) 23.854 6.446 ( 1.549 -4.874 10.917) 12.056 6.613 ( 1.272 -3.896 -5.928) 7.207 6.793 ( -4.236 0.022 4.635) 6.279 7.493 ( 3.604 7.462 -17.452) 19.319 10.319 ( -6.215 -1.651 -0.831) 6.484 10.409 ( -7.811 0.465 5.751) 9.711 11.311 ( -3.018 -2.415 -6.236) 7.337 11.806 ( 4.606 15.610 11.479) 19.916 12.565 ( 13.173 -17.778 -2.713) 22.292 13.334 ( 7.323 5.508 5.885) 10.890 13.860 ( -5.845 -0.788 3.240) 6.729 14.078 ( -2.070 0.637 -6.636) 6.980 ======================= Grid point 84 (76/135) ======================= q-point: ( 0.28 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -1.987 -1.410 -9.978) 10.271 2.002 ( -0.961 0.221 -6.608) 6.681 2.133 ( 0.384 0.099 1.173) 1.238 2.406 ( 4.210 -0.524 -1.952) 4.670 2.688 ( 1.089 -0.101 -9.266) 9.330 3.083 ( -9.612 3.887 -2.268) 10.613 3.124 ( 3.066 -2.060 -1.627) 4.036 3.220 ( 4.164 -3.158 1.653) 5.481 3.312 ( -0.225 -0.059 2.482) 2.493 3.740 ( 1.312 2.500 12.748) 13.057 4.073 ( -0.054 -0.190 -20.416) 20.417 4.486 ( -3.309 2.786 -3.132) 5.340 4.776 ( 4.187 7.537 2.600) 9.006 4.981 ( -5.333 -6.991 6.648) 11.023 5.363 ( 2.722 -4.898 -5.039) 7.536 5.595 ( -1.173 0.438 -9.522) 9.604 6.026 ( 1.112 2.992 2.527) 4.071 6.265 ( 0.917 0.405 -10.331) 10.379 6.591 ( 0.463 -0.682 28.448) 28.460 7.024 ( 0.768 3.988 11.477) 12.175 7.132 ( 1.467 -1.661 10.927) 11.149 7.359 ( -2.549 -2.542 17.237) 17.609 10.508 ( 0.515 -2.295 -9.440) 9.729 10.686 ( -0.596 -1.149 -4.326) 4.516 11.297 ( 4.955 4.955 -26.448) 27.361 11.375 ( -7.622 -1.780 -15.661) 17.508 12.387 ( 5.986 -0.355 18.723) 19.660 12.649 ( -2.015 -0.973 7.771) 8.087 14.056 ( -0.544 -0.204 -0.777) 0.970 14.330 ( -0.262 1.075 6.141) 6.240 ======================= Grid point 86 (77/135) ======================= q-point: ( 0.48 -0.37 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -5.406 5.874 22.548) 23.919 1.452 ( -8.147 13.660 2.988) 16.184 1.691 ( -7.793 -6.882 10.115) 14.505 2.094 ( 3.657 -2.298 5.283) 6.824 2.264 ( 2.464 -1.984 15.720) 16.035 2.739 ( 8.907 -3.387 3.608) 10.189 3.303 ( 0.119 5.668 -4.160) 7.032 3.406 ( 8.818 -8.485 -2.676) 12.527 3.655 ( -13.699 -2.231 -1.332) 13.943 3.968 ( 15.813 5.152 -1.412) 16.691 4.021 ( -7.612 3.859 3.725) 9.312 4.454 ( 4.687 1.402 -11.099) 12.130 4.825 ( -4.725 -2.883 3.171) 6.379 5.083 ( 6.252 2.434 4.051) 7.837 5.322 ( -4.692 2.281 -2.423) 5.752 5.429 ( 1.899 -1.337 2.307) 3.274 5.839 ( -5.659 -3.598 1.541) 6.881 6.068 ( 2.172 -7.743 -1.600) 8.200 7.319 ( 0.377 -1.796 -7.207) 7.437 7.453 ( -8.878 -0.404 -11.223) 14.316 7.519 ( -3.139 -4.077 -13.746) 14.677 8.329 ( -0.664 6.796 -21.193) 22.266 9.779 ( -2.922 -2.324 14.771) 15.235 10.028 ( 2.325 -0.865 28.155) 28.264 10.384 ( -2.365 -1.192 2.657) 3.752 11.526 ( 9.201 14.742 -0.257) 17.380 12.718 ( 1.594 1.065 5.513) 5.837 12.836 ( 4.281 -14.067 -4.549) 15.391 14.184 ( -2.187 2.180 -4.380) 5.359 14.511 ( -3.056 -0.309 -3.991) 5.037 ======================= Grid point 88 (78/135) ======================= q-point: (-0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.000 -12.899 -3.142) 13.276 1.385 ( -0.000 -3.740 -13.748) 14.248 1.955 ( -0.000 -3.629 -12.673) 13.183 2.601 ( 0.000 4.418 16.153) 16.746 3.079 ( -0.000 -5.050 4.306) 6.636 3.132 ( -0.000 -3.214 -8.475) 9.064 3.514 ( 0.000 10.263 2.226) 10.502 3.541 ( 0.000 3.112 -10.274) 10.735 4.024 ( -0.000 -7.079 -18.005) 19.346 4.054 ( 0.000 11.875 3.403) 12.353 4.364 ( 0.000 10.995 6.811) 12.933 4.631 ( -0.000 -12.574 -0.371) 12.579 4.753 ( -0.000 -7.231 4.840) 8.701 4.762 ( 0.000 4.019 7.361) 8.386 5.311 ( -0.000 -1.628 -2.062) 2.627 5.411 ( 0.000 1.258 -18.073) 18.116 5.815 ( 0.000 3.847 4.585) 5.985 5.922 ( -0.000 -0.447 26.275) 26.279 6.553 ( -0.000 -2.701 -0.068) 2.702 6.750 ( -0.000 -10.526 12.906) 16.654 6.909 ( 0.000 3.630 10.473) 11.084 7.131 ( 0.000 6.940 -18.492) 19.751 10.200 ( -0.000 -1.951 -3.167) 3.719 10.409 ( 0.000 1.314 2.466) 2.794 11.186 ( -0.000 -4.224 -4.392) 6.094 11.907 ( 0.000 16.287 -5.768) 17.278 12.706 ( -0.000 -16.847 4.411) 17.415 13.549 ( 0.000 6.758 5.848) 8.937 13.909 ( 0.000 1.804 -6.679) 6.919 13.922 ( -0.000 -1.272 7.608) 7.714 ======================= Grid point 90 (79/135) ======================= q-point: (-0.13 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 14.604 -0.000 -0.000) 14.604 1.030 ( 23.673 -0.000 -0.000) 23.673 1.749 ( -10.252 0.000 0.000) 10.252 1.800 ( 40.399 -0.000 -0.000) 40.399 2.004 ( 10.546 -0.000 -0.000) 10.546 2.768 ( -9.298 0.000 0.000) 9.298 3.158 ( -20.388 0.000 0.000) 20.388 3.473 ( 11.906 -0.000 -0.000) 11.906 3.771 ( -13.354 0.000 0.000) 13.354 3.804 ( -16.283 0.000 0.000) 16.283 4.393 ( 7.461 -0.000 -0.000) 7.461 4.437 ( 9.762 -0.000 -0.000) 9.762 4.916 ( -20.024 0.000 0.000) 20.024 5.056 ( -7.944 0.000 0.000) 7.944 5.229 ( 10.382 -0.000 -0.000) 10.382 5.502 ( -3.352 0.000 0.000) 3.352 6.129 ( -0.966 0.000 0.000) 0.966 6.256 ( -5.734 0.000 0.000) 5.734 7.356 ( 2.989 -0.000 -0.000) 2.989 7.508 ( 10.724 -0.000 -0.000) 10.724 7.835 ( 2.268 -0.000 -0.000) 2.268 8.729 ( -0.114 0.000 0.000) 0.114 9.593 ( -0.533 0.000 0.000) 0.533 9.740 ( -0.142 0.000 0.000) 0.142 10.387 ( 1.004 -0.000 -0.000) 1.004 10.945 ( -0.132 0.000 0.000) 0.132 12.605 ( -0.294 0.000 0.000) 0.294 13.586 ( -10.017 0.000 0.000) 10.017 13.949 ( 5.862 -0.000 -0.000) 5.862 14.415 ( 3.648 -0.000 -0.000) 3.648 ======================= Grid point 91 (80/135) ======================= q-point: ( 0.47 -0.25 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -8.425 8.184 2.964) 12.114 1.578 ( -4.469 -1.008 17.097) 17.701 1.849 ( 1.740 3.819 7.928) 8.970 2.306 ( 11.279 0.313 9.209) 14.565 2.820 ( -0.734 -2.125 5.989) 6.397 2.985 ( 1.300 -0.647 25.843) 25.884 3.186 ( -6.298 -3.007 0.333) 6.987 3.412 ( 6.328 2.005 -5.257) 8.467 3.578 ( 2.891 -1.740 0.276) 3.385 3.875 ( -8.678 2.203 1.427) 9.066 4.269 ( 16.445 -0.442 -5.205) 17.255 4.488 ( 7.663 2.511 1.080) 8.136 4.704 ( -6.144 -3.409 -1.906) 7.280 5.071 ( -5.613 -1.294 -2.724) 6.372 5.331 ( -0.295 4.655 4.410) 6.419 5.464 ( -3.554 -0.221 1.442) 3.842 5.745 ( -0.653 -6.747 -4.421) 8.093 6.077 ( -2.017 -4.243 6.420) 7.955 6.954 ( -7.300 1.280 -12.982) 14.948 7.073 ( -0.674 -3.461 -22.243) 22.521 7.210 ( 2.108 -8.136 -13.833) 16.186 7.952 ( 1.841 14.046 -16.094) 21.441 9.987 ( -5.080 -1.578 13.187) 14.219 10.362 ( -2.604 -2.212 1.320) 3.662 10.736 ( 3.192 -0.102 29.632) 29.803 11.534 ( -1.859 3.910 -3.316) 5.453 12.904 ( 3.411 -0.274 7.960) 8.664 13.059 ( 19.518 -7.288 -3.685) 21.157 13.942 ( -10.126 -0.386 -5.575) 11.566 14.332 ( -2.964 1.047 -5.935) 6.717 ======================= Grid point 95 (81/135) ======================= q-point: (-0.13 0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 8.249 0.000 17.349) 19.210 1.543 ( 19.641 -0.000 3.828) 20.010 1.969 ( -7.219 0.000 33.158) 33.935 2.102 ( 2.278 -0.000 -4.693) 5.216 2.575 ( 21.124 -0.000 1.277) 21.162 2.613 ( -0.285 0.000 2.660) 2.675 2.751 ( -19.107 0.000 3.658) 19.454 3.464 ( -10.474 0.000 -2.305) 10.725 3.537 ( -8.867 0.000 -0.168) 8.868 3.738 ( 12.548 -0.000 0.922) 12.582 4.358 ( -17.668 0.000 -10.128) 20.365 4.469 ( -1.695 -0.000 -10.095) 10.236 4.613 ( 9.524 -0.000 3.055) 10.002 5.050 ( -0.606 0.000 11.432) 11.448 5.203 ( 1.338 -0.000 -9.679) 9.771 5.645 ( 0.211 0.000 9.981) 9.983 6.037 ( -5.420 -0.000 -7.034) 8.880 6.099 ( -3.371 0.000 2.213) 4.033 7.295 ( 1.510 -0.000 -8.084) 8.224 7.531 ( 2.375 -0.000 -12.087) 12.318 7.759 ( 4.073 -0.000 -13.216) 13.830 8.332 ( 2.826 -0.000 -26.964) 27.112 9.917 ( 1.962 0.000 15.616) 15.738 10.062 ( -9.079 0.000 33.933) 35.126 10.451 ( 0.731 0.000 4.380) 4.441 11.019 ( 5.741 -0.000 2.415) 6.228 12.642 ( 0.231 0.000 3.178) 3.187 13.249 ( -13.930 0.000 -8.353) 16.242 14.058 ( 6.758 -0.000 -2.480) 7.199 14.447 ( 2.487 -0.000 -3.235) 4.080 ======================= Grid point 96 (82/135) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 1.230 7.639) 7.737 1.690 ( 0.000 2.407 0.231) 2.418 2.015 ( 0.000 7.643 7.763) 10.894 2.664 ( -0.000 -5.999 -12.230) 13.622 2.796 ( -0.000 -8.672 17.342) 19.389 3.112 ( -0.000 -0.471 5.688) 5.707 3.421 ( 0.000 2.746 -3.397) 4.368 3.541 ( 0.000 14.916 1.821) 15.026 3.752 ( -0.000 5.218 29.559) 30.016 3.858 ( -0.000 -5.402 5.053) 7.397 4.241 ( -0.000 -5.623 -13.361) 14.496 4.656 ( -0.000 -2.449 0.828) 2.585 4.714 ( -0.000 -0.903 7.477) 7.531 4.857 ( -0.000 -3.931 -6.865) 7.911 5.347 ( 0.000 0.984 -2.590) 2.771 5.429 ( 0.000 7.515 4.992) 9.022 5.648 ( -0.000 -8.677 -5.018) 10.024 6.264 ( -0.000 -3.785 6.960) 7.923 6.579 ( -0.000 -5.507 -20.435) 21.164 6.684 ( 0.000 1.856 -4.414) 4.789 6.954 ( -0.000 -8.217 -12.362) 14.844 7.660 ( 0.000 16.045 -16.102) 22.732 10.150 ( -0.000 0.061 9.193) 9.193 10.331 ( -0.000 -3.058 -0.717) 3.141 11.283 ( 0.000 8.281 19.103) 20.820 11.445 ( -0.000 -4.177 -2.637) 4.940 13.130 ( 0.000 5.411 8.459) 10.042 13.191 ( -0.000 -13.949 -8.311) 16.237 13.735 ( -0.000 -0.467 1.492) 1.563 14.166 ( 0.000 2.040 -7.102) 7.389 ======================= Grid point 99 (83/135) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -9.819 6.858 0.000) 11.976 0.944 ( -6.523 19.593 0.000) 20.650 1.475 ( -7.147 -8.927 0.000) 11.435 1.929 ( -11.262 25.054 0.000) 27.468 2.220 ( 10.683 6.667 -0.000) 12.593 2.706 ( -2.627 -5.311 0.000) 5.925 3.289 ( -11.884 1.870 0.000) 12.030 3.380 ( 8.729 -3.885 -0.000) 9.555 3.909 ( 11.927 -8.580 -0.000) 14.692 3.984 ( -1.415 -6.965 0.000) 7.107 4.224 ( 15.153 3.368 -0.000) 15.522 4.447 ( -7.917 3.944 0.000) 8.845 4.866 ( -3.843 -5.208 0.000) 6.472 5.078 ( 0.266 0.327 -0.000) 0.421 5.202 ( -3.418 0.339 0.000) 3.435 5.472 ( -2.255 -4.955 0.000) 5.444 5.744 ( -2.003 1.222 0.000) 2.346 6.260 ( -4.490 -6.996 0.000) 8.313 7.314 ( -5.072 1.908 0.000) 5.419 7.628 ( 10.694 -0.386 -0.000) 10.701 7.698 ( -1.385 -4.523 0.000) 4.730 8.413 ( -10.796 2.165 0.000) 11.011 9.634 ( 0.285 1.289 -0.000) 1.321 9.665 ( -0.221 -3.177 0.000) 3.185 10.345 ( -1.025 -1.055 0.000) 1.471 11.432 ( 6.135 10.262 -0.000) 11.956 12.647 ( 0.603 1.586 -0.000) 1.696 13.313 ( 16.604 -8.013 -0.000) 18.436 14.128 ( -7.686 -0.821 0.000) 7.730 14.446 ( -4.836 2.301 0.000) 5.355 ======================= Grid point 100 (84/135) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 3.999 0.000 14.000) 14.560 1.793 ( 2.826 -0.000 -0.329) 2.845 2.157 ( 0.665 0.000 3.591) 3.652 2.382 ( -10.459 0.000 2.287) 10.706 2.564 ( -5.187 0.000 10.095) 11.350 2.694 ( 3.241 0.000 27.143) 27.336 2.978 ( 3.011 -0.000 3.216) 4.405 3.340 ( -3.853 0.000 1.722) 4.220 3.408 ( 4.351 -0.000 -6.113) 7.503 3.811 ( -4.454 -0.000 -9.459) 10.455 4.035 ( -0.270 -0.000 -7.352) 7.357 4.244 ( 6.866 -0.000 2.943) 7.470 4.772 ( 0.880 -0.000 -5.921) 5.986 5.090 ( 4.792 -0.000 -0.496) 4.818 5.362 ( 3.834 0.000 11.916) 12.518 5.757 ( -4.571 0.000 4.402) 6.346 5.777 ( -5.850 0.000 -6.213) 8.534 6.105 ( -3.448 0.000 5.669) 6.635 7.118 ( -1.024 -0.000 -10.164) 10.215 7.151 ( -1.608 -0.000 -23.447) 23.502 7.475 ( -1.734 -0.000 -16.246) 16.339 7.860 ( 3.804 -0.000 -23.530) 23.835 10.341 ( -0.341 0.000 17.774) 17.777 10.551 ( -4.126 0.000 31.949) 32.214 10.570 ( -1.581 0.000 6.968) 7.145 11.287 ( 13.590 -0.000 3.280) 13.980 12.686 ( -17.336 0.000 -13.833) 22.179 12.728 ( 3.269 -0.000 1.656) 3.665 14.116 ( 4.468 -0.000 -3.607) 5.743 14.389 ( 0.735 -0.000 -5.352) 5.403 ======================= Grid point 104 (85/135) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 17.132 2.732) 17.349 0.965 ( -0.000 3.278 33.664) 33.823 1.663 ( -0.000 -4.062 11.116) 11.835 1.870 ( 0.000 34.713 8.488) 35.736 2.622 ( -0.000 -5.909 24.766) 25.461 2.734 ( -0.000 -10.185 6.070) 11.857 3.134 ( -0.000 -1.098 -1.061) 1.527 3.480 ( -0.000 -5.042 -1.106) 5.162 3.836 ( -0.000 -3.726 -12.472) 13.017 4.006 ( -0.000 -9.373 -1.453) 9.485 4.372 ( 0.000 5.987 3.265) 6.820 4.517 ( -0.000 -0.498 5.543) 5.565 4.741 ( -0.000 -2.717 -3.355) 4.317 5.047 ( 0.000 5.300 0.111) 5.301 5.174 ( -0.000 -2.775 1.212) 3.028 5.415 ( 0.000 -0.098 -0.584) 0.592 5.867 ( -0.000 0.419 7.833) 7.844 6.058 ( -0.000 -5.054 -8.020) 9.479 7.116 ( 0.000 1.282 -11.972) 12.041 7.531 ( -0.000 -5.230 -13.420) 14.403 7.725 ( -0.000 -9.653 -12.046) 15.437 7.911 ( 0.000 21.194 -17.343) 27.386 9.760 ( -0.000 -3.007 8.484) 9.001 10.197 ( -0.000 -10.103 36.114) 37.500 10.353 ( -0.000 -1.406 1.737) 2.235 11.493 ( 0.000 3.085 0.361) 3.106 12.721 ( 0.000 2.250 6.025) 6.432 13.709 ( -0.000 -8.249 -5.513) 9.922 13.781 ( -0.000 -0.717 -1.661) 1.810 14.353 ( 0.000 2.640 -3.278) 4.209 ======================= Grid point 105 (86/135) ======================= q-point: (-0.15 0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 3.116 0.000 6.864) 7.538 1.938 ( 1.960 -0.000 0.169) 1.967 2.054 ( -17.102 0.000 1.253) 17.148 2.100 ( -2.361 0.000 9.995) 10.270 2.892 ( -0.488 -0.000 -5.519) 5.540 3.003 ( 12.997 0.000 14.792) 19.691 3.225 ( -4.527 0.000 -1.778) 4.863 3.283 ( -3.211 0.000 2.502) 4.071 3.474 ( 13.271 -0.000 -8.153) 15.576 3.506 ( 2.701 0.000 7.069) 7.568 4.160 ( 5.976 0.000 11.721) 13.156 4.469 ( -5.346 -0.000 -13.679) 14.687 4.595 ( 8.779 -0.000 7.772) 11.726 5.296 ( 6.355 -0.000 3.919) 7.466 5.568 ( -3.910 0.000 -2.260) 4.516 5.612 ( -11.146 0.000 -3.249) 11.610 5.632 ( -0.399 0.000 9.041) 9.050 6.196 ( -2.008 0.000 8.482) 8.717 6.578 ( -2.501 -0.000 -26.719) 26.836 6.828 ( -3.507 -0.000 -11.831) 12.340 7.090 ( -6.445 -0.000 -10.229) 12.090 7.583 ( 7.651 -0.000 -15.674) 17.442 10.560 ( -6.376 0.000 11.973) 13.565 10.620 ( -7.109 0.000 5.572) 9.033 11.231 ( 5.316 0.000 30.053) 30.520 11.664 ( 18.219 -0.000 -0.531) 18.227 12.011 ( -17.407 0.000 -14.822) 22.863 12.877 ( 10.185 -0.000 0.184) 10.186 14.085 ( -1.236 -0.000 -2.673) 2.945 14.270 ( -0.869 -0.000 -5.827) 5.891 ======================= Grid point 108 (87/135) ======================= q-point: (-0.35 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.022 0.152 -0.000) 5.024 1.507 ( 3.261 -0.128 -0.000) 3.264 1.862 ( 15.756 1.611 -0.000) 15.838 2.059 ( -10.746 -0.449 0.000) 10.755 2.132 ( -14.069 10.139 0.000) 17.341 2.564 ( -7.189 -6.364 0.000) 9.601 3.208 ( -5.862 5.097 0.000) 7.768 3.222 ( 13.517 -11.057 -0.000) 17.464 3.531 ( 6.673 2.353 -0.000) 7.076 3.979 ( 7.648 -3.625 -0.000) 8.464 4.177 ( -10.695 -6.781 0.000) 12.663 4.583 ( -10.665 1.870 0.000) 10.828 4.714 ( 10.965 6.407 -0.000) 12.700 4.926 ( 8.560 -1.071 -0.000) 8.627 5.299 ( -6.065 3.514 0.000) 7.010 5.492 ( 1.357 -0.285 -0.000) 1.386 5.971 ( -4.721 -1.464 0.000) 4.943 5.998 ( -4.688 -0.015 0.000) 4.688 7.386 ( -1.477 -1.459 0.000) 2.076 7.703 ( -1.108 -2.822 0.000) 3.032 7.919 ( -1.258 2.124 0.000) 2.469 8.699 ( 0.433 2.815 -0.000) 2.848 9.577 ( -0.720 -1.408 0.000) 1.581 9.714 ( -0.207 1.628 0.000) 1.641 10.403 ( -0.599 -0.224 0.000) 0.640 11.145 ( 11.930 5.084 -0.000) 12.968 12.615 ( 0.814 0.009 -0.000) 0.814 13.067 ( -13.513 -3.964 0.000) 14.082 14.207 ( 4.789 1.898 -0.000) 5.151 14.549 ( 1.011 -2.524 -0.000) 2.720 ======================= Grid point 110 (88/135) ======================= q-point: (-0.15 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -14.379 0.000 -2.313) 14.563 1.762 ( -6.822 0.000 -6.233) 9.241 2.188 ( 0.471 0.000 7.461) 7.476 2.530 ( 11.939 -0.000 11.023) 16.250 2.564 ( -8.292 -0.000 -9.882) 12.900 3.178 ( 6.937 -0.000 2.603) 7.409 3.233 ( -1.252 0.000 2.054) 2.406 3.567 ( 9.634 -0.000 -2.059) 9.851 3.663 ( 17.526 -0.000 3.613) 17.895 3.867 ( 14.783 -0.000 2.347) 14.968 4.113 ( -2.768 -0.000 -7.169) 7.685 4.581 ( 0.853 0.000 15.322) 15.346 4.805 ( -1.349 0.000 4.718) 4.907 5.156 ( -14.853 0.000 -13.471) 20.052 5.443 ( 1.223 0.000 2.023) 2.364 5.556 ( -2.242 0.000 10.420) 10.658 5.758 ( -2.073 0.000 6.531) 6.852 5.947 ( -4.739 -0.000 -24.070) 24.532 6.392 ( -0.417 0.000 10.380) 10.388 6.577 ( -1.152 -0.000 -6.628) 6.728 6.884 ( -4.611 0.000 2.489) 5.240 7.448 ( 6.475 -0.000 -14.139) 15.551 10.493 ( -10.771 0.000 0.973) 10.815 10.590 ( -8.423 0.000 5.964) 10.321 11.434 ( -9.587 -0.000 -11.486) 14.962 11.925 ( 5.583 0.000 24.565) 25.191 11.960 ( 17.749 -0.000 -8.442) 19.654 13.166 ( 14.059 -0.000 2.480) 14.276 13.984 ( -5.921 0.000 1.491) 6.106 14.119 ( -1.965 -0.000 -5.994) 6.308 ======================= Grid point 111 (89/135) ======================= q-point: (-0.55 0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 5.166 -3.189 -9.289) 11.097 1.917 ( 6.297 -1.774 -1.407) 6.691 2.064 ( 4.738 0.590 -8.029) 9.342 2.450 ( 0.533 6.385 -0.727) 6.449 2.749 ( -5.329 2.561 -7.488) 9.541 2.972 ( 0.859 -6.208 1.909) 6.552 3.255 ( -7.862 0.403 -0.118) 7.873 3.339 ( -7.149 2.578 -5.676) 9.486 3.456 ( -11.537 0.330 2.317) 11.772 3.682 ( 3.766 -0.505 9.138) 9.897 4.148 ( -4.271 0.277 -18.284) 18.779 4.322 ( 8.663 -4.431 -1.808) 9.897 4.845 ( 3.059 2.435 -0.979) 4.031 4.963 ( -7.466 -6.437 7.476) 12.372 5.421 ( -0.881 7.208 -4.946) 8.787 5.548 ( 2.158 -2.069 -5.829) 6.550 5.987 ( 4.516 -0.378 2.523) 5.187 6.289 ( -1.079 1.305 -8.374) 8.543 6.598 ( -0.318 1.484 27.833) 27.874 6.980 ( 3.951 -1.154 10.705) 11.469 7.125 ( 2.332 3.165 9.640) 10.411 7.351 ( -1.237 -2.671 17.180) 17.431 10.486 ( 3.001 2.096 -9.805) 10.466 10.641 ( 3.670 0.581 -3.950) 5.423 11.194 ( 6.565 -0.952 -19.559) 20.654 11.414 ( -4.091 -4.493 -13.305) 14.627 12.545 ( -8.795 6.888 10.946) 15.640 12.713 ( -7.744 0.234 7.074) 10.491 14.031 ( 1.869 -0.967 -0.699) 2.217 14.306 ( 2.062 -1.616 6.269) 6.794 ======================= Grid point 113 (90/135) ======================= q-point: ( 0.64 -0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 2.453 4.439 14.275) 15.149 1.745 ( -8.300 0.069 1.361) 8.411 1.866 ( -12.783 4.217 5.309) 14.470 1.972 ( 5.528 0.294 23.657) 24.297 2.344 ( -9.370 -5.396 1.441) 10.908 2.383 ( 13.214 2.147 7.960) 15.574 3.162 ( 2.001 -3.398 -1.820) 4.343 3.272 ( -0.907 -8.045 -2.387) 8.441 3.732 ( 14.633 4.225 -3.721) 15.679 3.882 ( -9.688 -1.428 -8.005) 12.648 4.198 ( 1.588 1.867 1.847) 3.069 4.352 ( 4.294 -1.806 -3.568) 5.867 4.912 ( 0.915 1.828 -4.657) 5.086 5.059 ( 0.381 7.035 6.064) 9.296 5.300 ( 6.661 -3.114 4.109) 8.423 5.469 ( -4.331 4.323 -0.894) 6.184 5.849 ( -5.599 -7.176 -0.631) 9.123 5.958 ( -1.867 -1.161 2.721) 3.499 7.279 ( -2.139 -2.826 -6.114) 7.067 7.510 ( -3.112 -2.459 -13.446) 14.019 7.678 ( -7.669 1.535 -12.856) 15.048 8.400 ( 2.223 3.148 -23.129) 23.448 9.819 ( -3.928 -0.815 20.175) 20.570 9.988 ( 1.881 0.610 23.393) 23.476 10.417 ( -2.330 -0.605 3.626) 4.352 11.504 ( 19.120 11.631 1.175) 22.410 12.672 ( -13.005 -10.214 -7.081) 17.989 12.699 ( 1.405 -0.107 4.021) 4.260 14.244 ( 1.830 3.065 -3.898) 5.286 14.516 ( -0.546 -2.399 -3.625) 4.381 ======================= Grid point 115 (91/135) ======================= q-point: (-0.16 -0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -10.032 0.000 -5.704) 11.540 1.419 ( -6.740 -0.000 -12.980) 14.625 1.978 ( -5.155 -0.000 -11.854) 12.927 2.640 ( 0.962 0.000 16.333) 16.361 2.874 ( 9.346 -0.000 -0.742) 9.375 3.210 ( -5.132 0.000 -0.789) 5.193 3.488 ( 10.807 -0.000 6.050) 12.385 3.535 ( 2.546 -0.000 -11.425) 11.705 3.795 ( 10.197 -0.000 -12.620) 16.225 4.237 ( 14.800 -0.000 2.445) 15.000 4.366 ( 6.935 0.000 10.491) 12.575 4.505 ( -7.629 0.000 -5.073) 9.162 4.620 ( -6.433 0.000 -5.689) 8.588 4.937 ( -4.588 0.000 7.217) 8.552 5.399 ( -8.136 0.000 -7.186) 10.855 5.433 ( -1.316 -0.000 -9.981) 10.067 5.811 ( 2.061 0.000 6.551) 6.867 5.962 ( -2.804 0.000 23.944) 24.107 6.509 ( 1.112 -0.000 -0.192) 1.128 6.627 ( 1.109 0.000 11.424) 11.478 6.973 ( -2.377 0.000 11.836) 12.072 7.202 ( -0.009 -0.000 -16.673) 16.673 10.266 ( -7.802 0.000 -2.778) 8.282 10.492 ( -6.380 0.000 1.655) 6.591 11.163 ( -1.620 -0.000 -5.099) 5.350 12.016 ( 10.426 -0.000 -14.815) 18.116 12.438 ( 3.236 0.000 15.842) 16.169 13.508 ( 10.133 -0.000 4.926) 11.267 13.948 ( -1.924 -0.000 -6.282) 6.570 13.956 ( -4.160 0.000 6.635) 7.831 ======================= Grid point 118 (92/135) ======================= q-point: ( 0.64 -0.41 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -11.934 6.253 2.228) 13.656 1.701 ( -10.413 -0.516 13.587) 17.126 1.797 ( 5.421 0.478 8.176) 9.822 2.093 ( 5.283 -2.344 2.777) 6.413 2.767 ( 5.186 3.553 18.620) 19.653 2.895 ( 6.905 -0.802 21.910) 22.987 3.198 ( 5.247 -7.323 -2.677) 9.398 3.266 ( 2.112 -3.846 1.864) 4.767 3.426 ( -9.731 -4.403 -7.102) 12.827 3.946 ( 16.047 2.461 -7.824) 18.022 4.308 ( 8.778 1.212 0.054) 8.861 4.363 ( -6.444 12.158 0.139) 13.761 4.713 ( -3.851 -6.046 -4.671) 8.556 5.208 ( -3.770 3.994 2.568) 6.063 5.371 ( 1.118 3.936 0.426) 4.114 5.494 ( 1.454 0.200 4.834) 5.052 5.687 ( -6.959 -9.533 -3.126) 12.210 6.027 ( -0.554 -2.123 6.283) 6.655 7.037 ( -1.920 -1.947 -16.438) 16.664 7.081 ( -2.291 -4.242 -18.212) 18.839 7.178 ( -9.642 0.775 -14.846) 17.719 8.047 ( 6.298 5.719 -18.419) 20.289 10.096 ( -6.948 -0.517 16.852) 18.236 10.412 ( -4.817 -0.967 3.266) 5.900 10.661 ( 4.467 0.478 31.931) 32.246 11.745 ( -0.222 13.508 -5.776) 14.693 12.407 ( 11.517 -16.064 -6.206) 20.718 12.912 ( 5.255 2.276 7.665) 9.568 14.108 ( -4.677 1.649 -6.244) 7.974 14.385 ( -2.067 -1.343 -5.876) 6.372 ======================= Grid point 119 (93/135) ======================= q-point: ( 0.23 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 6.279 2.608 8.293) 10.724 1.921 ( 7.519 0.917 -1.954) 7.823 2.218 ( -0.321 -1.325 7.857) 7.974 2.396 ( -2.466 -2.671 -6.614) 7.547 2.871 ( 1.494 2.591 0.081) 2.992 2.910 ( 3.941 -2.593 0.457) 4.739 3.278 ( -9.381 2.769 2.516) 10.100 3.359 ( -11.574 -1.987 0.150) 11.744 3.436 ( -8.518 -2.572 0.685) 8.924 3.498 ( -3.600 1.402 -8.473) 9.313 4.360 ( 6.306 9.647 2.606) 11.816 4.574 ( 5.710 -8.524 10.393) 14.604 4.795 ( -7.199 1.282 1.470) 7.459 4.919 ( -5.603 0.251 0.214) 5.613 5.530 ( 0.792 -0.785 9.196) 9.264 5.705 ( 6.321 1.855 7.020) 9.627 5.903 ( 4.074 0.286 -5.580) 6.915 6.003 ( 0.354 -2.125 -24.468) 24.562 6.507 ( 0.611 1.262 9.656) 9.758 6.754 ( 2.539 0.614 -11.636) 11.925 7.035 ( -0.772 -4.595 1.551) 4.910 7.074 ( -0.804 2.781 -9.585) 10.013 10.634 ( 3.738 -1.258 4.090) 5.682 10.683 ( 3.003 -2.332 0.586) 3.847 11.492 ( 10.563 5.473 10.378) 15.787 11.634 ( 5.214 1.219 5.009) 7.332 12.400 ( -12.790 0.826 -5.098) 13.794 12.527 ( -16.290 -6.523 -6.483) 18.707 14.085 ( 2.174 0.423 4.203) 4.751 14.183 ( 2.394 1.136 -5.576) 6.174 ======================= Grid point 120 (94/135) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 -0.000 -14.494) 14.494 1.001 ( 0.000 -0.000 -17.952) 17.952 1.754 ( 0.000 -0.000 -4.475) 4.475 2.723 ( 0.000 -0.000 -29.649) 29.649 3.030 ( 0.000 -0.000 -1.107) 1.107 3.052 ( -0.000 0.000 20.906) 20.906 3.423 ( 0.000 -0.000 -6.320) 6.320 3.563 ( 0.000 -0.000 -11.009) 11.009 3.723 ( -0.000 0.000 1.893) 1.893 4.184 ( 0.000 -0.000 -4.973) 4.973 4.556 ( -0.000 0.000 9.015) 9.015 4.663 ( -0.000 0.000 4.773) 4.773 4.684 ( 0.000 -0.000 -4.356) 4.356 4.853 ( 0.000 -0.000 -0.728) 0.728 5.184 ( 0.000 -0.000 -1.567) 1.567 5.285 ( -0.000 0.000 0.012) 0.012 5.938 ( -0.000 0.000 3.161) 3.161 6.369 ( -0.000 0.000 7.451) 7.451 6.609 ( -0.000 0.000 7.759) 7.759 6.877 ( -0.000 0.000 10.587) 10.587 6.911 ( -0.000 0.000 0.582) 0.582 7.239 ( -0.000 0.000 16.393) 16.393 10.101 ( 0.000 -0.000 -4.911) 4.911 10.446 ( 0.000 -0.000 -0.015) 0.015 11.075 ( 0.000 -0.000 -3.024) 3.024 11.821 ( 0.000 -0.000 -13.697) 13.697 12.701 ( -0.000 0.000 6.541) 6.541 13.736 ( -0.000 0.000 5.401) 5.401 13.811 ( 0.000 -0.000 -4.167) 4.167 14.066 ( -0.000 0.000 7.342) 7.342 ======================= Grid point 123 (95/135) ======================= q-point: ( 0.63 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -10.269 -2.401 2.328) 10.800 1.739 ( -2.891 0.489 0.550) 2.984 2.074 ( 3.456 1.816 7.350) 8.322 2.507 ( 10.489 -3.383 14.892) 18.526 2.671 ( -7.107 -1.351 -14.240) 15.972 3.158 ( 0.872 1.993 4.155) 4.690 3.350 ( 6.272 -2.102 -1.178) 6.719 3.607 ( 8.953 0.257 15.387) 17.803 3.696 ( 3.948 -0.177 26.607) 26.899 4.045 ( 10.690 -1.679 -11.293) 15.641 4.143 ( -8.200 12.897 -0.551) 15.293 4.526 ( 7.738 -3.006 2.754) 8.746 4.598 ( -1.740 -0.999 -1.540) 2.529 4.998 ( -13.252 -2.312 -2.726) 13.725 5.422 ( -4.447 -0.254 -1.096) 4.587 5.485 ( -0.510 -5.802 -1.893) 6.124 5.583 ( -1.306 3.451 4.433) 5.767 6.187 ( 0.746 -2.256 8.074) 8.417 6.510 ( -0.626 -2.247 -25.339) 25.446 6.771 ( -3.283 -0.243 -7.405) 8.104 6.814 ( -2.174 -4.488 -8.778) 10.096 7.842 ( 5.624 8.066 -16.414) 19.134 10.226 ( -7.086 -0.270 10.972) 13.064 10.335 ( -5.030 -1.801 0.127) 5.344 11.364 ( 2.844 3.627 19.842) 20.370 11.487 ( -3.909 4.086 -0.724) 5.701 12.689 ( 19.337 -11.325 -7.200) 23.537 13.183 ( 3.569 3.040 8.321) 9.551 13.852 ( -8.166 0.027 -2.343) 8.496 14.215 ( -1.653 0.424 -6.595) 6.812 ======================= Grid point 124 (96/135) ======================= q-point: ( 0.23 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.513 -0.429 -9.439) 9.569 2.026 ( -0.578 1.305 6.538) 6.692 2.186 ( 1.013 -1.779 -9.055) 9.283 2.359 ( 1.532 -0.666 6.351) 6.567 2.901 ( 2.335 0.840 -9.353) 9.677 3.039 ( -4.229 1.613 4.356) 6.282 3.142 ( -3.627 -0.209 -0.202) 3.639 3.163 ( 4.298 -1.733 2.078) 5.079 3.320 ( 1.360 -1.012 -4.172) 4.503 3.486 ( -0.326 0.717 11.145) 11.173 4.478 ( -3.047 8.953 -9.651) 13.512 4.631 ( 3.756 4.589 0.581) 5.959 4.652 ( 1.916 -2.994 -8.248) 8.981 4.886 ( -3.822 -10.062 5.851) 12.251 5.535 ( 0.267 -0.322 -13.837) 13.843 5.790 ( -1.420 0.592 -8.496) 8.635 5.915 ( 2.717 5.043 11.468) 12.819 6.018 ( -0.732 -4.183 21.019) 21.443 6.515 ( 0.082 1.832 -12.540) 12.673 6.776 ( 1.202 3.548 12.535) 13.083 7.006 ( 1.698 -1.903 0.981) 2.732 7.090 ( -2.679 -2.732 8.862) 9.653 10.658 ( 0.921 -2.551 -5.285) 5.940 10.723 ( -1.044 -2.257 0.823) 2.620 11.609 ( 3.155 4.306 -14.589) 15.535 11.837 ( -15.647 12.469 -7.534) 21.379 12.075 ( 17.769 -10.887 0.680) 20.850 12.394 ( -4.778 -2.858 16.634) 17.541 14.109 ( -0.069 0.318 -4.002) 4.015 14.209 ( -0.153 0.769 5.524) 5.579 ======================= Grid point 126 (97/135) ======================= q-point: ( 0.42 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -10.228 7.337 0.000) 12.588 1.429 ( -5.539 16.639 0.000) 17.537 1.518 ( -11.847 -7.768 0.000) 14.167 2.019 ( 14.201 1.204 -0.000) 14.252 2.149 ( -7.679 -6.196 0.000) 9.867 2.709 ( 9.217 -3.656 -0.000) 9.916 3.362 ( -1.089 6.053 0.000) 6.150 3.431 ( 10.720 -9.935 -0.000) 14.616 3.652 ( -15.465 4.070 0.000) 15.991 3.977 ( -6.325 -0.542 0.000) 6.348 3.987 ( 15.672 5.839 -0.000) 16.724 4.680 ( -7.241 5.257 0.000) 8.948 4.688 ( 5.154 -8.561 -0.000) 9.993 5.037 ( 7.771 4.427 -0.000) 8.943 5.353 ( -6.784 1.182 0.000) 6.886 5.404 ( 2.188 -1.250 -0.000) 2.520 5.816 ( -5.496 -3.138 0.000) 6.329 6.096 ( 3.709 -9.026 -0.000) 9.758 7.392 ( 1.615 -1.895 -0.000) 2.490 7.579 ( -8.933 -0.461 0.000) 8.945 7.669 ( -4.250 -3.985 0.000) 5.826 8.616 ( -2.296 5.032 0.000) 5.531 9.597 ( -0.269 -3.031 0.000) 3.043 9.673 ( -0.104 1.783 0.000) 1.786 10.355 ( -1.751 -0.970 0.000) 2.002 11.529 ( 10.870 16.376 -0.000) 19.655 12.655 ( 1.273 1.184 -0.000) 1.738 12.885 ( 2.082 -14.830 -0.000) 14.975 14.232 ( -1.834 2.191 0.000) 2.858 14.554 ( -3.018 -0.477 0.000) 3.055 ======================= Grid point 128 (98/135) ======================= q-point: (-0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.000 -7.769 2.388) 8.127 1.616 ( 0.000 -1.236 -8.422) 8.512 2.259 ( -0.000 -3.941 -15.950) 16.429 2.308 ( 0.000 3.321 11.779) 12.239 2.923 ( -0.000 -5.941 11.557) 12.994 3.212 ( 0.000 0.522 -0.511) 0.730 3.443 ( 0.000 4.327 2.736) 5.119 3.778 ( 0.000 3.618 -12.104) 12.633 3.997 ( 0.000 11.680 1.604) 11.790 4.079 ( 0.000 4.414 13.116) 13.839 4.428 ( -0.000 1.421 20.950) 20.999 4.465 ( 0.000 -2.250 -14.455) 14.629 4.674 ( -0.000 -7.521 1.353) 7.642 4.695 ( -0.000 -7.489 -0.195) 7.492 5.365 ( -0.000 -0.686 -1.672) 1.807 5.495 ( -0.000 -3.304 11.029) 11.513 5.668 ( 0.000 6.710 3.255) 7.458 5.925 ( 0.000 -1.090 -23.789) 23.814 6.470 ( -0.000 -6.347 11.560) 13.187 6.635 ( -0.000 -5.487 -5.475) 7.752 6.736 ( 0.000 1.911 5.365) 5.695 7.532 ( 0.000 8.455 -19.236) 21.012 10.251 ( -0.000 -2.125 -1.909) 2.856 10.320 ( -0.000 0.517 6.391) 6.412 11.282 ( -0.000 -3.330 -5.135) 6.121 11.857 ( 0.000 16.394 12.192) 20.431 12.723 ( -0.000 -17.630 -7.237) 19.057 13.401 ( 0.000 3.813 8.868) 9.653 13.793 ( -0.000 0.075 4.392) 4.393 14.053 ( 0.000 1.495 -7.089) 7.245 ======================= Grid point 131 (99/135) ======================= q-point: ( 0.42 -0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -7.063 -0.312 29.753) 30.581 1.264 ( -9.000 12.028 -0.225) 15.024 1.601 ( -1.638 -3.043 17.529) 17.866 2.201 ( 9.295 3.447 3.020) 10.363 2.455 ( 11.194 1.285 14.722) 18.538 2.741 ( -7.166 0.670 4.296) 8.381 3.261 ( -8.087 0.611 -4.245) 9.154 3.454 ( 0.241 3.580 2.029) 4.122 3.641 ( 10.773 -8.896 -5.244) 14.923 3.847 ( -7.974 -2.126 0.748) 8.287 4.312 ( 15.336 2.942 0.212) 15.617 4.507 ( -0.396 4.465 -2.114) 4.956 4.738 ( -3.007 -4.541 -1.486) 5.645 5.138 ( -1.928 -0.611 -2.746) 3.410 5.230 ( -2.726 4.259 4.408) 6.708 5.424 ( -2.246 -2.065 2.019) 3.659 5.782 ( 1.680 -1.333 1.049) 2.387 6.046 ( -4.674 -8.069 -2.933) 9.776 7.226 ( -7.165 1.826 -11.407) 13.594 7.424 ( 2.850 -5.989 -11.041) 12.880 7.477 ( 0.490 -6.204 -11.263) 12.868 8.301 ( -1.824 12.465 -17.478) 21.544 9.723 ( -2.178 -2.937 11.120) 11.705 10.074 ( 1.874 -1.585 30.952) 31.049 10.341 ( -1.580 -1.522 1.694) 2.772 11.594 ( -1.468 7.961 -2.289) 8.412 12.747 ( 1.152 1.291 6.248) 6.483 13.129 ( 22.224 -8.292 -2.575) 23.860 14.055 ( -11.418 -0.766 -4.652) 12.353 14.434 ( -3.456 0.813 -3.644) 5.088 ======================= Grid point 135 (100/135) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 13.309 -0.000 -0.000) 13.309 1.500 ( 21.078 -0.000 -0.000) 21.078 1.558 ( -7.233 0.000 0.000) 7.233 2.166 ( 2.728 -0.000 -0.000) 2.728 2.572 ( 23.383 -0.000 -0.000) 23.383 2.590 ( 1.912 -0.000 -0.000) 1.912 2.701 ( -22.400 0.000 0.000) 22.400 3.485 ( -12.722 0.000 0.000) 12.722 3.540 ( -7.131 0.000 0.000) 7.131 3.723 ( 11.592 -0.000 -0.000) 11.592 4.449 ( -19.690 0.000 0.000) 19.690 4.580 ( 9.924 -0.000 -0.000) 9.924 4.673 ( 9.053 -0.000 -0.000) 9.053 4.855 ( -11.160 0.000 0.000) 11.160 5.405 ( 6.304 -0.000 -0.000) 6.304 5.439 ( -3.376 0.000 0.000) 3.376 6.078 ( -3.492 0.000 0.000) 3.492 6.118 ( -7.356 0.000 0.000) 7.356 7.392 ( 0.309 -0.000 -0.000) 0.309 7.658 ( 3.361 -0.000 -0.000) 3.361 7.906 ( 3.779 -0.000 -0.000) 3.779 8.727 ( -0.064 0.000 0.000) 0.064 9.579 ( -0.724 0.000 0.000) 0.724 9.736 ( -0.232 0.000 0.000) 0.232 10.403 ( 0.413 -0.000 -0.000) 0.413 10.993 ( 5.536 -0.000 -0.000) 5.536 12.603 ( 0.198 -0.000 -0.000) 0.198 13.341 ( -13.503 0.000 0.000) 13.503 14.087 ( 7.070 -0.000 -0.000) 7.070 14.482 ( 2.581 -0.000 -0.000) 2.581 ======================= Grid point 136 (101/135) ======================= q-point: ( 0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 5.908 3.558) 6.896 1.531 ( -0.000 -1.293 18.117) 18.164 1.871 ( 0.000 5.816 7.712) 9.659 2.478 ( 0.000 3.876 10.415) 11.113 2.760 ( -0.000 -2.945 5.470) 6.213 3.050 ( -0.000 -2.052 -2.312) 3.091 3.055 ( -0.000 -2.555 29.946) 30.055 3.540 ( 0.000 -1.564 -8.134) 8.283 3.571 ( 0.000 16.308 1.271) 16.357 3.786 ( -0.000 -12.176 1.949) 12.330 4.499 ( -0.000 -3.161 -9.659) 10.163 4.574 ( 0.000 1.199 4.218) 4.385 4.604 ( -0.000 -0.896 3.483) 3.597 4.992 ( -0.000 -2.551 -5.695) 6.241 5.318 ( 0.000 6.633 5.703) 8.747 5.401 ( 0.000 -0.203 -1.128) 1.146 5.764 ( -0.000 -9.012 -6.684) 11.221 6.044 ( -0.000 -2.001 10.195) 10.389 6.870 ( 0.000 1.510 -12.801) 12.890 7.066 ( 0.000 -4.073 -22.097) 22.469 7.242 ( -0.000 -9.785 -14.894) 17.821 7.972 ( 0.000 17.089 -14.582) 22.465 9.929 ( -0.000 -1.959 11.789) 11.951 10.334 ( -0.000 -2.422 0.445) 2.462 10.773 ( -0.000 0.263 29.963) 29.964 11.504 ( 0.000 0.655 -3.037) 3.107 12.936 ( 0.000 2.421 9.751) 10.047 13.381 ( -0.000 -9.816 -9.483) 13.649 13.737 ( 0.000 -0.071 -1.241) 1.243 14.300 ( 0.000 1.800 -5.773) 6.047 ======================= Grid point 140 (102/135) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 6.190 0.000 12.543) 13.987 1.840 ( 4.902 -0.000 -3.417) 5.975 1.902 ( 0.625 0.000 33.021) 33.027 2.082 ( -1.653 0.000 3.096) 3.510 2.380 ( -13.196 0.000 7.412) 15.136 2.447 ( -7.080 0.000 0.555) 7.102 3.037 ( 11.852 -0.000 -4.795) 12.786 3.293 ( -7.255 0.000 2.032) 7.534 3.518 ( 7.924 -0.000 -3.908) 8.835 3.935 ( 1.778 -0.000 -2.279) 2.891 4.106 ( 0.401 0.000 0.901) 0.986 4.375 ( -6.413 -0.000 -14.360) 15.727 4.807 ( 8.642 -0.000 1.027) 8.703 5.102 ( 5.172 0.000 13.155) 14.135 5.198 ( -1.792 -0.000 -8.554) 8.740 5.624 ( -2.487 0.000 7.971) 8.350 5.899 ( -7.411 0.000 -4.989) 8.934 6.022 ( -3.763 0.000 2.512) 4.524 7.295 ( -1.425 -0.000 -6.729) 6.878 7.536 ( -1.351 -0.000 -13.208) 13.277 7.794 ( -1.450 -0.000 -13.014) 13.094 8.381 ( 2.168 -0.000 -25.417) 25.509 9.913 ( -5.728 0.000 26.401) 27.015 9.957 ( 1.847 0.000 19.245) 19.334 10.449 ( -1.005 0.000 4.493) 4.604 11.228 ( 14.711 -0.000 2.251) 14.883 12.660 ( 1.518 0.000 3.743) 4.039 12.928 ( -16.910 0.000 -8.818) 19.071 14.194 ( 5.811 -0.000 -3.247) 6.656 14.483 ( 0.897 -0.000 -3.389) 3.506 ======================= Grid point 144 (103/135) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 6.181 -0.000) 6.181 0.870 ( 0.000 18.949 -0.000) 18.949 1.396 ( -0.000 -8.571 0.000) 8.571 1.809 ( 0.000 40.133 -0.000) 40.133 2.354 ( 0.000 9.249 -0.000) 9.249 2.667 ( -0.000 -11.631 0.000) 11.631 3.144 ( -0.000 -0.277 0.000) 0.277 3.493 ( -0.000 -6.709 0.000) 6.709 3.945 ( -0.000 -6.314 0.000) 6.314 4.075 ( -0.000 -10.962 0.000) 10.962 4.342 ( 0.000 6.511 -0.000) 6.511 4.431 ( 0.000 2.101 -0.000) 2.101 4.769 ( -0.000 -1.219 0.000) 1.219 5.029 ( 0.000 4.428 -0.000) 4.428 5.175 ( -0.000 -2.451 0.000) 2.451 5.420 ( -0.000 -1.461 0.000) 1.461 5.785 ( 0.000 1.886 -0.000) 1.886 6.162 ( -0.000 -6.459 0.000) 6.459 7.253 ( 0.000 0.939 -0.000) 0.939 7.673 ( -0.000 -5.601 0.000) 5.601 7.860 ( -0.000 -10.129 0.000) 10.129 8.210 ( 0.000 14.038 -0.000) 14.038 9.638 ( 0.000 1.593 -0.000) 1.593 9.662 ( -0.000 -3.626 0.000) 3.626 10.334 ( -0.000 -1.159 0.000) 1.159 11.490 ( 0.000 4.757 -0.000) 4.757 12.654 ( 0.000 1.723 -0.000) 1.723 13.774 ( -0.000 -7.881 0.000) 7.881 13.800 ( -0.000 -0.837 0.000) 0.837 14.388 ( 0.000 2.712 -0.000) 2.712 ======================= Grid point 145 (104/135) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 5.216 0.000 12.410) 13.462 1.846 ( 1.597 0.000 7.521) 7.688 1.988 ( -9.276 0.000 1.668) 9.425 2.109 ( -15.893 0.000 -3.175) 16.207 2.683 ( 11.112 0.000 15.278) 18.892 2.765 ( 3.560 0.000 34.281) 34.465 3.000 ( 1.015 -0.000 -4.434) 4.548 3.228 ( -3.988 0.000 2.564) 4.741 3.640 ( -10.865 -0.000 -12.868) 16.841 3.650 ( 14.865 -0.000 -8.032) 16.896 4.113 ( 8.015 -0.000 -4.501) 9.192 4.445 ( 8.339 -0.000 7.459) 11.188 4.739 ( -3.770 -0.000 -11.915) 12.498 5.206 ( 5.463 -0.000 4.160) 6.866 5.434 ( 3.269 0.000 9.635) 10.174 5.617 ( -8.640 0.000 2.317) 8.945 5.649 ( -5.953 0.000 -4.805) 7.650 6.044 ( -2.360 0.000 6.016) 6.463 7.069 ( -3.208 -0.000 -10.779) 11.246 7.105 ( -2.679 -0.000 -23.171) 23.325 7.375 ( -7.478 -0.000 -16.271) 17.907 7.961 ( 5.908 -0.000 -21.182) 21.990 10.243 ( -6.934 0.000 18.870) 20.103 10.504 ( -4.451 0.000 5.335) 6.948 10.572 ( 3.928 0.000 31.976) 32.216 11.657 ( 21.732 -0.000 0.929) 21.752 12.317 ( -17.818 0.000 -13.801) 22.537 12.820 ( 5.285 -0.000 4.987) 7.267 14.175 ( 0.684 -0.000 -5.457) 5.500 14.390 ( -0.622 -0.000 -5.526) 5.561 ======================= Grid point 150 (105/135) ======================= q-point: ( 0.79 -0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -17.472 0.000 -2.006) 17.587 1.842 ( -6.176 0.000 -0.612) 6.207 1.992 ( 4.345 0.000 9.305) 10.269 2.252 ( 11.564 0.000 14.240) 18.344 2.833 ( -6.581 -0.000 -13.025) 14.593 3.175 ( 2.930 -0.000 -1.503) 3.293 3.175 ( 1.432 0.000 5.092) 5.290 3.347 ( 11.097 0.000 15.167) 18.793 3.617 ( 5.610 0.000 23.667) 24.323 3.768 ( 14.228 -0.000 -10.010) 17.396 4.314 ( 8.506 -0.000 5.337) 10.041 4.364 ( -4.855 -0.000 -13.624) 14.463 4.684 ( -0.712 0.000 7.007) 7.043 5.299 ( -12.914 0.000 -1.109) 12.961 5.430 ( 0.607 -0.000 -0.901) 1.086 5.477 ( -4.325 0.000 -1.020) 4.444 5.626 ( -0.235 0.000 6.550) 6.554 6.165 ( -0.822 0.000 8.154) 8.195 6.524 ( -2.391 -0.000 -26.734) 26.841 6.764 ( -2.211 -0.000 -11.171) 11.387 6.938 ( -7.595 0.000 -7.846) 10.920 7.755 ( 8.580 -0.000 -15.743) 17.929 10.401 ( -8.625 0.000 12.306) 15.027 10.455 ( -7.908 0.000 2.419) 8.270 11.336 ( 4.212 0.000 30.476) 30.766 11.705 ( -11.451 0.000 -12.466) 16.927 12.098 ( 22.730 -0.000 -4.951) 23.263 13.083 ( 8.827 -0.000 5.788) 10.555 14.010 ( -5.948 0.000 -3.974) 7.153 14.245 ( -1.418 -0.000 -6.204) 6.364 ======================= Grid point 154 (106/135) ======================= q-point: ( 0.59 -0.59 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -2.018 4.009 0.000) 4.489 1.675 ( -0.562 0.602 0.000) 0.824 1.763 ( -4.551 -5.169 0.000) 6.887 1.802 ( -6.929 10.613 0.000) 12.675 2.297 ( 7.121 1.607 -0.000) 7.300 2.350 ( -4.102 -5.933 0.000) 7.213 3.173 ( 2.198 -2.028 -0.000) 2.991 3.315 ( -2.262 -10.923 0.000) 11.155 3.770 ( 14.551 4.992 -0.000) 15.384 3.998 ( -7.556 0.959 0.000) 7.616 4.099 ( 1.005 1.047 -0.000) 1.451 4.454 ( 0.217 -4.537 -0.000) 4.542 4.937 ( 9.808 4.666 -0.000) 10.861 4.994 ( -4.802 9.655 0.000) 10.783 5.264 ( 5.145 -3.634 -0.000) 6.299 5.474 ( -3.061 0.276 0.000) 3.073 5.856 ( -5.639 -4.794 0.000) 7.402 5.933 ( -1.637 -2.055 0.000) 2.627 7.343 ( -2.134 -2.702 0.000) 3.443 7.652 ( -3.468 -2.746 0.000) 4.424 7.822 ( -7.793 1.450 0.000) 7.927 8.709 ( 0.591 3.250 -0.000) 3.304 9.562 ( -0.714 -1.671 0.000) 1.817 9.709 ( -0.247 1.433 0.000) 1.455 10.378 ( -1.668 -0.503 0.000) 1.742 11.492 ( 20.404 12.118 -0.000) 23.731 12.640 ( 1.502 0.399 -0.000) 1.554 12.758 ( -14.992 -11.048 0.000) 18.624 14.287 ( 2.213 3.235 -0.000) 3.920 14.555 ( -0.454 -2.500 0.000) 2.541 ======================= Grid point 156 (107/135) ======================= q-point: (-0.22 -0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -9.937 0.000 -0.421) 9.946 1.645 ( -4.062 -0.000 -8.549) 9.464 2.204 ( 1.059 -0.000 -2.823) 3.015 2.412 ( -5.887 0.000 -0.942) 5.962 2.764 ( 9.101 0.000 11.157) 14.398 3.217 ( -0.130 -0.000 -0.177) 0.220 3.369 ( 9.795 -0.000 4.644) 10.840 3.732 ( 5.198 -0.000 -8.716) 10.148 4.018 ( 16.579 -0.000 4.269) 17.120 4.100 ( 1.621 -0.000 0.705) 1.767 4.150 ( 10.707 -0.000 9.584) 14.370 4.547 ( -2.206 0.000 2.274) 3.168 4.734 ( -5.299 0.000 9.878) 11.209 4.800 ( -18.457 0.000 -9.607) 20.808 5.411 ( -3.784 0.000 -1.456) 4.054 5.499 ( -2.809 0.000 13.129) 13.426 5.739 ( -0.038 0.000 5.624) 5.624 5.899 ( 0.045 -0.000 -26.282) 26.282 6.397 ( 0.744 0.000 10.482) 10.508 6.571 ( 0.399 -0.000 -5.784) 5.798 6.797 ( -3.551 0.000 4.915) 6.063 7.566 ( 4.426 -0.000 -17.820) 18.362 10.303 ( -6.798 0.000 -1.095) 6.886 10.411 ( -7.600 0.000 6.494) 9.996 11.291 ( -3.990 -0.000 -7.341) 8.355 12.034 ( 4.034 0.000 23.290) 23.636 12.316 ( 14.777 -0.000 -13.917) 20.299 13.384 ( 6.127 0.000 7.390) 9.600 13.854 ( -5.386 0.000 2.686) 6.018 14.083 ( -1.350 -0.000 -6.635) 6.771 ======================= Grid point 159 (108/135) ======================= q-point: ( 0.58 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -11.053 4.349 19.414) 22.759 1.567 ( -3.411 -5.828 14.932) 16.388 1.706 ( -9.363 11.386 -1.980) 14.873 2.045 ( 2.515 -2.390 2.595) 4.333 2.254 ( 7.440 0.574 18.720) 20.152 2.669 ( 9.660 -2.945 5.226) 11.372 3.254 ( 3.281 -6.594 0.100) 7.366 3.269 ( 5.863 -8.116 -3.166) 10.501 3.612 ( -14.730 0.261 -8.603) 17.060 4.066 ( 16.208 4.965 -3.737) 17.359 4.193 ( -3.975 9.647 7.344) 12.760 4.456 ( 5.775 -2.041 -5.833) 8.458 4.797 ( -8.221 0.769 -2.565) 8.646 5.148 ( 4.330 4.377 2.686) 6.718 5.361 ( -4.735 2.135 0.267) 5.201 5.415 ( 2.032 -1.127 2.847) 3.675 5.743 ( -3.753 -6.720 -1.953) 7.941 5.941 ( -0.192 -4.246 2.003) 4.699 7.252 ( 0.153 -3.982 -7.012) 8.065 7.432 ( -5.092 -1.838 -12.331) 13.467 7.485 ( -9.059 0.286 -12.847) 15.722 8.451 ( 2.674 5.144 -19.885) 20.713 9.742 ( -3.495 -1.396 15.762) 16.206 10.029 ( 2.041 0.579 26.640) 26.725 10.363 ( -2.697 -0.931 2.223) 3.617 11.833 ( 5.812 17.326 -2.915) 18.506 12.522 ( 5.651 -16.873 -4.543) 18.365 12.756 ( 3.465 0.929 6.711) 7.610 14.226 ( -4.115 2.068 -4.542) 6.468 14.487 ( -2.191 -1.746 -3.684) 4.628 ======================= Grid point 161 (109/135) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 -0.000 -6.742) 6.742 1.345 ( 0.000 -0.000 -14.987) 14.987 1.923 ( 0.000 -0.000 -12.045) 12.045 2.650 ( -0.000 0.000 17.677) 17.677 3.022 ( -0.000 0.000 3.027) 3.027 3.105 ( 0.000 -0.000 -9.376) 9.376 3.564 ( 0.000 -0.000 -8.064) 8.064 3.634 ( -0.000 0.000 6.518) 6.518 3.936 ( 0.000 -0.000 -22.213) 22.213 4.283 ( 0.000 -0.000 -3.865) 3.865 4.400 ( -0.000 0.000 5.615) 5.615 4.567 ( -0.000 0.000 12.877) 12.877 4.586 ( -0.000 0.000 2.109) 2.109 4.803 ( -0.000 0.000 5.977) 5.977 5.297 ( 0.000 -0.000 -1.565) 1.565 5.425 ( 0.000 -0.000 -19.619) 19.619 5.852 ( -0.000 0.000 5.011) 5.011 5.918 ( -0.000 0.000 26.711) 26.711 6.525 ( -0.000 0.000 0.489) 0.489 6.645 ( -0.000 0.000 11.700) 11.700 6.943 ( -0.000 0.000 12.064) 12.064 7.200 ( 0.000 -0.000 -19.987) 19.987 10.181 ( 0.000 -0.000 -2.959) 2.959 10.420 ( -0.000 0.000 2.716) 2.716 11.148 ( 0.000 -0.000 -4.173) 4.173 12.135 ( 0.000 -0.000 -16.571) 16.571 12.474 ( -0.000 0.000 15.322) 15.322 13.612 ( -0.000 0.000 7.036) 7.036 13.911 ( -0.000 0.000 7.079) 7.079 13.927 ( 0.000 -0.000 -6.623) 6.623 ======================= Grid point 164 (110/135) ======================= q-point: ( 0.57 -0.35 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -12.214 1.358 -1.287) 12.357 1.537 ( -5.410 -2.300 20.261) 21.097 1.910 ( 4.491 2.326 10.144) 11.335 2.304 ( 11.655 -0.035 4.049) 12.338 2.815 ( -0.783 2.200 8.039) 8.371 2.976 ( 1.682 -0.025 20.814) 20.882 3.157 ( -7.191 -1.801 1.923) 7.658 3.375 ( 7.318 -4.241 0.152) 8.460 3.446 ( 8.845 -7.588 1.981) 11.821 4.134 ( -10.529 18.323 2.515) 21.282 4.271 ( 12.818 0.628 -8.635) 15.468 4.506 ( 6.990 -0.885 -0.932) 7.107 4.617 ( -4.414 -5.456 -0.759) 7.059 5.063 ( -8.503 0.606 -3.517) 9.222 5.408 ( 0.752 2.257 3.547) 4.271 5.469 ( -3.052 0.876 3.380) 4.637 5.594 ( -1.567 -7.919 -5.587) 9.817 6.021 ( -0.148 -1.631 6.847) 7.040 6.972 ( -5.986 0.449 -14.689) 15.868 7.025 ( -2.616 -1.449 -19.910) 20.133 7.062 ( 0.468 -6.397 -13.931) 15.336 8.172 ( 5.181 8.319 -15.965) 18.733 9.958 ( -5.665 -1.223 14.325) 15.453 10.328 ( -2.961 -1.304 0.691) 3.308 10.752 ( 3.826 1.231 33.490) 33.731 11.618 ( -7.558 4.257 -6.786) 11.013 12.796 ( 18.693 -7.261 -1.764) 20.131 13.029 ( 7.518 0.959 5.143) 9.159 13.938 ( -11.474 -0.017 -5.384) 12.674 14.343 ( -1.620 0.211 -5.730) 5.958 ======================= Grid point 169 (111/135) ======================= q-point: ( 0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -0.000 -3.926 3.585) 5.316 1.709 ( 0.000 0.209 0.858) 0.883 2.120 ( 0.000 3.484 7.057) 7.871 2.581 ( 0.000 -2.616 -14.652) 14.884 2.631 ( -0.000 -7.032 14.477) 16.095 3.164 ( 0.000 4.896 5.496) 7.360 3.434 ( -0.000 -0.963 -1.387) 1.689 3.706 ( -0.000 3.222 28.700) 28.881 3.767 ( -0.000 -4.178 14.466) 15.057 4.004 ( 0.000 14.724 -0.087) 14.725 4.174 ( 0.000 1.840 -9.200) 9.382 4.608 ( -0.000 -2.166 -0.101) 2.169 4.657 ( -0.000 -6.124 3.948) 7.286 4.775 ( -0.000 -3.703 -9.497) 10.193 5.345 ( -0.000 -0.756 -1.488) 1.669 5.499 ( -0.000 -6.100 -3.850) 7.214 5.563 ( 0.000 5.670 5.760) 8.082 6.201 ( -0.000 -2.339 8.698) 9.007 6.505 ( 0.000 -2.460 -24.962) 25.083 6.714 ( 0.000 1.171 -3.828) 4.003 6.810 ( -0.000 -6.164 -11.067) 12.668 7.906 ( 0.000 9.194 -16.969) 19.299 10.142 ( -0.000 -0.605 10.740) 10.757 10.282 ( -0.000 -1.910 -1.129) 2.219 11.400 ( 0.000 -0.921 -6.230) 6.298 11.441 ( 0.000 7.268 26.848) 27.814 12.953 ( -0.000 -10.074 -13.385) 16.752 13.190 ( -0.000 1.227 11.239) 11.306 13.742 ( 0.000 0.911 0.896) 1.278 14.196 ( 0.000 1.098 -6.734) 6.823 ======================= Grid point 172 (112/135) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -13.416 2.941 0.000) 13.734 1.276 ( -8.897 14.138 0.000) 16.705 1.335 ( -5.243 -5.407 0.000) 7.531 2.164 ( 8.836 1.813 -0.000) 9.020 2.326 ( 13.988 4.380 -0.000) 14.657 2.704 ( -8.360 1.786 0.000) 8.549 3.328 ( -14.546 2.035 0.000) 14.688 3.401 ( 5.033 4.854 -0.000) 6.993 3.699 ( 12.471 -10.813 -0.000) 16.506 3.849 ( -6.278 -5.384 0.000) 8.271 4.302 ( 13.582 4.725 -0.000) 14.381 4.536 ( -6.089 5.259 0.000) 8.046 4.757 ( 1.009 -6.099 -0.000) 6.182 5.143 ( 2.240 5.315 -0.000) 5.768 5.203 ( -6.764 -0.177 0.000) 6.766 5.400 ( -2.233 -3.131 0.000) 3.845 5.761 ( 1.419 0.562 -0.000) 1.526 6.096 ( -4.029 -9.930 0.000) 10.716 7.352 ( -6.364 1.944 0.000) 6.654 7.538 ( 5.721 -7.199 -0.000) 9.195 7.603 ( -1.515 -5.283 0.000) 5.496 8.547 ( -4.079 9.873 0.000) 10.683 9.593 ( -0.145 -3.432 0.000) 3.435 9.671 ( -0.075 1.740 0.000) 1.741 10.323 ( -1.197 -1.210 0.000) 1.702 11.619 ( -1.213 9.413 0.000) 9.491 12.678 ( 0.851 1.550 -0.000) 1.768 13.157 ( 22.750 -8.362 -0.000) 24.238 14.107 ( -11.685 -1.096 0.000) 11.737 14.473 ( -3.772 0.643 0.000) 3.827 ======================= Grid point 177 (113/135) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -0.000 -3.341 33.550) 33.716 1.154 ( 0.000 9.553 -0.029) 9.553 1.589 ( -0.000 -1.869 20.472) 20.557 2.385 ( 0.000 15.946 0.492) 15.954 2.579 ( -0.000 -4.987 8.531) 9.881 2.608 ( -0.000 2.307 11.598) 11.825 3.116 ( -0.000 -0.923 -2.327) 2.503 3.530 ( 0.000 12.324 2.354) 12.547 3.705 ( -0.000 -11.018 -4.714) 11.984 3.787 ( -0.000 -10.910 -3.610) 11.492 4.481 ( 0.000 4.732 2.133) 5.191 4.526 ( 0.000 0.935 3.785) 3.899 4.688 ( -0.000 -2.668 -5.639) 6.238 5.085 ( -0.000 -2.288 -3.314) 4.027 5.207 ( 0.000 7.024 4.488) 8.335 5.387 ( -0.000 -2.404 1.684) 2.935 5.880 ( -0.000 0.837 5.543) 5.605 5.919 ( -0.000 -9.198 -7.348) 11.773 7.143 ( 0.000 1.514 -11.740) 11.837 7.431 ( -0.000 -4.988 -12.747) 13.688 7.524 ( -0.000 -10.728 -11.239) 15.537 8.275 ( 0.000 16.732 -14.950) 22.438 9.699 ( -0.000 -3.224 9.448) 9.983 10.095 ( -0.000 -1.935 32.283) 32.341 10.324 ( -0.000 -1.633 1.328) 2.104 11.561 ( 0.000 3.897 -2.242) 4.496 12.760 ( 0.000 1.686 6.655) 6.865 13.553 ( -0.000 -7.732 -6.534) 10.123 13.767 ( -0.000 -0.675 -1.297) 1.462 14.396 ( 0.000 1.816 -3.373) 3.831 ======================= Grid point 181 (114/135) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 6.247 -0.000 -0.000) 6.247 1.505 ( 4.041 -0.000 -0.000) 4.041 1.884 ( 14.003 -0.000 -0.000) 14.003 2.054 ( -13.267 0.000 0.000) 13.267 2.291 ( -13.960 0.000 0.000) 13.960 2.445 ( -6.293 0.000 0.000) 6.293 3.099 ( 14.044 -0.000 -0.000) 14.044 3.271 ( -7.562 0.000 0.000) 7.562 3.559 ( 8.469 -0.000 -0.000) 8.469 3.938 ( 8.335 -0.000 -0.000) 8.335 4.105 ( -9.031 0.000 0.000) 9.031 4.603 ( -12.380 0.000 0.000) 12.380 4.790 ( 9.920 -0.000 -0.000) 9.920 4.896 ( 11.504 -0.000 -0.000) 11.504 5.343 ( -6.069 0.000 0.000) 6.069 5.489 ( 1.711 -0.000 -0.000) 1.711 5.955 ( -8.140 0.000 0.000) 8.140 5.997 ( -4.014 0.000 0.000) 4.014 7.371 ( -2.210 0.000 0.000) 2.210 7.675 ( -1.125 0.000 0.000) 1.125 7.939 ( -1.479 0.000 0.000) 1.479 8.729 ( 0.357 -0.000 -0.000) 0.357 9.563 ( -0.837 0.000 0.000) 0.837 9.731 ( -0.306 0.000 0.000) 0.306 10.400 ( -0.742 0.000 0.000) 0.742 11.203 ( 15.096 -0.000 -0.000) 15.096 12.615 ( 1.006 -0.000 -0.000) 1.006 13.022 ( -17.091 0.000 0.000) 17.091 14.230 ( 6.229 -0.000 -0.000) 6.229 14.519 ( 0.963 -0.000 -0.000) 0.963 ======================= Grid point 186 (115/135) ======================= q-point: (-0.26 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 5.059 0.000 14.067) 14.949 1.717 ( -14.743 0.000 4.458) 15.402 1.954 ( -4.313 0.000 1.932) 4.726 1.967 ( 3.778 0.000 21.611) 21.939 2.277 ( -9.276 0.000 3.373) 9.871 2.422 ( 11.032 -0.000 9.084) 14.291 3.105 ( -0.532 -0.000 -4.913) 4.942 3.186 ( -2.700 0.000 1.369) 3.027 3.782 ( 15.637 -0.000 -4.496) 16.270 3.871 ( -7.391 -0.000 -9.036) 11.673 4.219 ( 4.334 -0.000 1.587) 4.615 4.325 ( 3.895 -0.000 -1.849) 4.312 4.929 ( 0.867 -0.000 -5.521) 5.588 5.159 ( -0.063 -0.000 -0.541) 0.544 5.246 ( 8.008 -0.000 8.148) 11.425 5.539 ( -5.604 0.000 4.546) 7.216 5.747 ( -6.689 0.000 -4.082) 7.836 5.951 ( -2.882 0.000 3.001) 4.161 7.248 ( -2.654 -0.000 -6.230) 6.772 7.487 ( -3.152 -0.000 -13.173) 13.545 7.693 ( -7.929 -0.000 -12.859) 15.108 8.432 ( 2.889 -0.000 -23.044) 23.224 9.811 ( -4.273 0.000 20.774) 21.209 9.996 ( 1.895 0.000 22.842) 22.921 10.411 ( -2.510 0.000 3.482) 4.293 11.637 ( 24.351 -0.000 0.802) 24.364 12.548 ( -19.308 0.000 -8.066) 20.925 12.704 ( 2.614 0.000 5.226) 5.843 14.280 ( 1.930 -0.000 -4.126) 4.555 14.485 ( -0.537 -0.000 -3.476) 3.518 ======================= Grid point 191 (116/135) ======================= q-point: (-0.26 0.49 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -10.332 0.000 15.835) 18.908 1.716 ( -14.705 0.000 -2.251) 14.876 1.814 ( 2.492 0.000 8.285) 8.652 2.072 ( 10.688 -0.000 2.855) 11.063 2.833 ( 2.584 0.000 30.041) 30.152 2.902 ( 8.323 0.000 16.583) 18.555 3.069 ( 5.250 -0.000 -3.963) 6.578 3.206 ( 2.820 -0.000 1.716) 3.301 3.410 ( -9.940 0.000 -8.569) 13.123 3.975 ( 15.745 -0.000 -9.284) 18.278 4.308 ( 9.424 -0.000 -2.101) 9.656 4.525 ( -0.689 0.000 8.191) 8.220 4.623 ( -7.195 -0.000 -11.199) 13.311 5.268 ( -2.468 0.000 2.755) 3.699 5.437 ( -5.549 0.000 0.889) 5.620 5.491 ( 1.174 0.000 5.816) 5.934 5.545 ( -3.282 -0.000 -4.420) 5.505 6.010 ( -0.845 0.000 6.409) 6.464 7.009 ( -2.052 -0.000 -11.703) 11.881 7.045 ( -2.976 -0.000 -22.506) 22.701 7.187 ( -9.792 -0.000 -15.145) 18.035 8.103 ( 7.460 -0.000 -18.295) 19.757 10.091 ( -7.436 0.000 17.399) 18.921 10.402 ( -4.935 0.000 2.639) 5.596 10.668 ( 4.908 0.000 33.079) 33.441 11.957 ( -16.311 0.000 -11.149) 19.757 12.172 ( 26.815 -0.000 -2.567) 26.937 12.934 ( 5.402 0.000 8.298) 9.901 14.127 ( -5.622 -0.000 -6.593) 8.664 14.369 ( -1.235 -0.000 -5.628) 5.761 ======================= Grid point 197 (117/135) ======================= q-point: ( 0.73 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -11.721 0.000 0.454) 11.730 1.743 ( -3.208 0.000 0.721) 3.288 2.090 ( 4.723 0.000 6.979) 8.427 2.473 ( 8.220 0.000 14.360) 16.546 2.660 ( -8.211 -0.000 -15.193) 17.270 3.203 ( 1.938 0.000 2.900) 3.488 3.314 ( 7.987 -0.000 0.941) 8.042 3.588 ( 10.409 0.000 18.415) 21.153 3.706 ( 2.808 0.000 31.105) 31.232 4.029 ( 8.604 -0.000 -12.115) 14.859 4.289 ( -0.269 -0.000 -9.376) 9.380 4.489 ( 7.246 -0.000 1.051) 7.322 4.595 ( -5.930 0.000 6.062) 8.480 4.969 ( -16.264 0.000 -6.615) 17.558 5.387 ( -4.121 0.000 -0.726) 4.185 5.447 ( -0.202 -0.000 -1.040) 1.059 5.623 ( -0.151 0.000 5.675) 5.677 6.166 ( 0.796 0.000 7.954) 7.994 6.488 ( -0.904 -0.000 -25.969) 25.985 6.743 ( -0.007 -0.000 -10.724) 10.724 6.793 ( -5.795 0.000 -5.041) 7.681 7.920 ( 6.560 -0.000 -16.616) 17.864 10.223 ( -7.535 0.000 11.651) 13.875 10.316 ( -4.951 0.000 -0.260) 4.958 11.392 ( 0.976 0.000 12.557) 12.595 11.547 ( -3.759 0.000 9.246) 9.981 12.569 ( 21.047 -0.000 -10.218) 23.397 13.210 ( 2.456 0.000 9.051) 9.378 13.854 ( -7.985 0.000 -2.440) 8.349 14.218 ( -1.021 -0.000 -6.481) 6.561 ======================= Grid point 201 (118/135) ======================= q-point: ( 0.52 -0.52 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -11.854 7.973 0.000) 14.286 1.361 ( -11.324 -8.508 0.000) 14.164 1.730 ( -5.272 14.048 0.000) 15.004 2.040 ( 16.449 0.877 -0.000) 16.472 2.047 ( -6.824 -4.377 0.000) 8.108 2.624 ( 10.158 -4.373 -0.000) 11.059 3.252 ( 3.294 -7.352 -0.000) 8.056 3.307 ( 5.690 -8.600 -0.000) 10.312 3.716 ( -16.370 2.468 0.000) 16.555 4.095 ( -2.801 9.256 0.000) 9.671 4.104 ( 15.797 5.982 -0.000) 16.891 4.532 ( 5.131 -7.424 -0.000) 9.024 4.816 ( -10.009 7.238 0.000) 12.352 5.118 ( 7.236 4.537 -0.000) 8.540 5.368 ( -6.929 0.436 0.000) 6.942 5.375 ( 2.697 -2.048 -0.000) 3.386 5.760 ( -2.876 -3.540 0.000) 4.561 5.929 ( 0.596 -6.903 -0.000) 6.929 7.325 ( 1.032 -3.906 -0.000) 4.040 7.563 ( -5.715 -1.472 0.000) 5.901 7.627 ( -9.067 -0.285 0.000) 9.071 8.721 ( 0.411 4.818 -0.000) 4.836 9.548 ( -0.585 -1.929 0.000) 2.015 9.704 ( -0.224 1.283 0.000) 1.302 10.338 ( -1.976 -0.715 0.000) 2.101 11.864 ( 8.248 18.610 -0.000) 20.356 12.577 ( 4.743 -17.414 -0.000) 18.048 12.674 ( 1.623 0.724 -0.000) 1.777 14.276 ( -3.893 2.182 0.000) 4.463 14.526 ( -2.260 -1.942 0.000) 2.979 ======================= Grid point 203 (119/135) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.000 0.000 0.160) 0.160 1.601 ( 0.000 -0.000 -9.605) 9.605 2.222 ( 0.000 -0.000 -16.141) 16.141 2.341 ( -0.000 0.000 12.047) 12.047 2.864 ( -0.000 0.000 12.465) 12.465 3.219 ( 0.000 -0.000 -3.091) 3.091 3.494 ( -0.000 0.000 5.949) 5.949 3.780 ( 0.000 -0.000 -12.991) 12.991 4.123 ( -0.000 0.000 15.317) 15.317 4.250 ( -0.000 0.000 12.113) 12.113 4.339 ( -0.000 0.000 0.443) 0.443 4.460 ( 0.000 -0.000 -13.233) 13.233 4.575 ( 0.000 -0.000 -0.489) 0.489 4.621 ( -0.000 0.000 8.586) 8.586 5.357 ( 0.000 -0.000 -4.124) 4.124 5.464 ( -0.000 0.000 14.694) 14.694 5.741 ( -0.000 0.000 5.703) 5.703 5.908 ( 0.000 -0.000 -26.033) 26.033 6.409 ( -0.000 0.000 10.847) 10.847 6.579 ( 0.000 -0.000 -5.541) 5.541 6.755 ( -0.000 0.000 5.873) 5.873 7.615 ( 0.000 -0.000 -19.653) 19.653 10.230 ( 0.000 -0.000 -1.942) 1.942 10.323 ( -0.000 0.000 6.892) 6.892 11.253 ( 0.000 -0.000 -6.067) 6.067 12.077 ( -0.000 0.000 23.208) 23.208 12.490 ( 0.000 -0.000 -17.712) 17.712 13.433 ( -0.000 0.000 10.434) 10.434 13.798 ( -0.000 0.000 3.680) 3.680 14.068 ( 0.000 -0.000 -6.878) 6.878 ======================= Grid point 206 (120/135) ======================= q-point: ( 0.52 -0.41 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -11.924 -2.357 27.118) 29.717 1.419 ( -13.254 4.469 -2.621) 14.231 1.574 ( 0.946 -0.294 21.336) 21.359 2.237 ( 13.623 1.789 4.331) 14.407 2.485 ( 12.244 1.665 11.273) 16.726 2.723 ( -4.217 -1.822 5.197) 6.936 3.286 ( -13.052 0.669 -6.489) 14.591 3.368 ( 6.901 -7.357 -0.082) 10.088 3.474 ( 9.917 -8.255 -2.606) 13.163 4.039 ( -9.458 16.604 5.258) 19.819 4.383 ( 13.243 4.365 -2.419) 14.152 4.560 ( 1.709 -0.180 -3.623) 4.010 4.636 ( -4.608 -5.340 -0.784) 7.097 5.137 ( -5.841 0.647 -3.622) 6.904 5.312 ( 0.973 3.403 4.856) 6.009 5.399 ( -2.550 -0.118 2.987) 3.929 5.713 ( 0.461 -6.248 -4.488) 7.706 5.924 ( -1.664 -3.448 2.210) 4.421 7.254 ( -6.643 0.905 -11.440) 13.260 7.296 ( 1.537 -5.964 -9.458) 11.286 7.390 ( -2.248 -2.881 -12.471) 12.996 8.505 ( 2.207 7.953 -15.969) 17.976 9.676 ( -2.617 -1.826 11.784) 12.208 10.069 ( 1.627 0.503 29.713) 29.761 10.314 ( -1.747 -1.131 1.091) 2.350 11.734 ( -8.690 6.116 -4.169) 11.415 12.751 ( 4.170 -0.916 4.006) 5.855 12.999 ( 24.889 -4.736 -0.699) 25.345 14.044 ( -13.743 -0.354 -4.262) 14.393 14.441 ( -1.781 0.074 -3.473) 3.904 ======================= Grid point 211 (121/135) ======================= q-point: ( 0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -0.000 -0.380 -0.135) 0.404 1.479 ( -0.000 -2.880 22.464) 22.647 1.962 ( 0.000 3.425 10.680) 11.216 2.457 ( -0.000 -3.126 1.272) 3.375 2.779 ( 0.000 4.483 1.539) 4.740 3.015 ( -0.000 -2.190 2.737) 3.506 3.049 ( -0.000 0.680 29.127) 29.135 3.472 ( -0.000 -5.161 -1.538) 5.385 3.581 ( -0.000 -7.947 2.729) 8.403 3.977 ( 0.000 22.851 2.812) 23.023 4.428 ( -0.000 -3.222 -11.508) 11.950 4.573 ( -0.000 -3.204 2.849) 4.287 4.586 ( -0.000 -0.716 1.756) 1.896 4.940 ( -0.000 -2.278 -6.309) 6.707 5.394 ( 0.000 0.242 -0.580) 0.628 5.443 ( 0.000 5.538 5.632) 7.898 5.583 ( -0.000 -9.263 -5.574) 10.811 6.020 ( -0.000 -0.577 7.700) 7.721 6.895 ( 0.000 1.052 -12.849) 12.892 7.004 ( 0.000 -2.282 -21.454) 21.575 7.073 ( -0.000 -7.109 -14.000) 15.702 8.232 ( 0.000 9.645 -14.983) 17.819 9.893 ( -0.000 -1.543 12.930) 13.022 10.296 ( -0.000 -1.468 -0.190) 1.480 10.797 ( -0.000 1.636 34.549) 34.588 11.528 ( 0.000 1.398 -5.875) 6.040 12.961 ( -0.000 0.450 10.422) 10.432 13.224 ( -0.000 -6.134 -12.219) 13.672 13.742 ( 0.000 0.412 -0.592) 0.721 14.326 ( 0.000 0.906 -5.693) 5.764 ======================= Grid point 219 (122/135) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -0.000 -2.204 0.000) 2.204 1.159 ( 0.000 10.883 -0.000) 10.883 1.284 ( -0.000 -2.944 0.000) 2.944 2.393 ( 0.000 18.641 -0.000) 18.641 2.483 ( -0.000 -6.732 0.000) 6.732 2.509 ( 0.000 6.881 -0.000) 6.881 3.138 ( -0.000 -0.347 0.000) 0.347 3.501 ( 0.000 10.163 -0.000) 10.163 3.730 ( -0.000 -14.330 0.000) 14.330 3.863 ( -0.000 -11.290 0.000) 11.290 4.461 ( 0.000 5.328 -0.000) 5.328 4.478 ( 0.000 2.644 -0.000) 2.644 4.744 ( -0.000 -1.263 0.000) 1.263 5.122 ( -0.000 -2.945 0.000) 2.945 5.156 ( 0.000 8.121 -0.000) 8.121 5.365 ( -0.000 -3.744 0.000) 3.744 5.822 ( 0.000 1.872 -0.000) 1.872 6.007 ( -0.000 -9.754 0.000) 9.754 7.276 ( 0.000 1.365 -0.000) 1.365 7.566 ( -0.000 -5.362 0.000) 5.362 7.649 ( -0.000 -11.186 0.000) 11.186 8.490 ( 0.000 14.321 -0.000) 14.321 9.591 ( -0.000 -3.581 0.000) 3.581 9.671 ( 0.000 1.730 -0.000) 1.730 10.310 ( -0.000 -1.292 0.000) 1.292 11.586 ( 0.000 4.984 -0.000) 4.984 12.688 ( 0.000 1.679 -0.000) 1.679 13.624 ( -0.000 -7.395 0.000) 7.395 13.782 ( -0.000 -1.014 0.000) 1.014 14.432 ( 0.000 1.835 -0.000) 1.835 ======================= Grid point 228 (123/135) ======================= q-point: (-0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 1.024 -0.000 -0.000) 1.024 1.671 ( -22.097 0.000 0.000) 22.097 1.719 ( 14.294 -0.000 -0.000) 14.294 1.927 ( -3.633 0.000 0.000) 3.633 2.271 ( -12.029 0.000 0.000) 12.029 2.329 ( 12.380 -0.000 -0.000) 12.380 3.163 ( -2.067 0.000 0.000) 2.067 3.172 ( -2.032 0.000 0.000) 2.032 3.828 ( 15.837 -0.000 -0.000) 15.837 3.999 ( -5.238 0.000 0.000) 5.238 4.116 ( 5.861 -0.000 -0.000) 5.861 4.409 ( -3.393 0.000 0.000) 3.393 4.971 ( 6.063 -0.000 -0.000) 6.063 5.147 ( 12.012 -0.000 -0.000) 12.012 5.193 ( -7.181 0.000 0.000) 7.181 5.476 ( -2.880 0.000 0.000) 2.880 5.793 ( -6.881 0.000 0.000) 6.881 5.920 ( -3.157 0.000 0.000) 3.157 7.314 ( -2.733 0.000 0.000) 2.733 7.626 ( -3.329 0.000 0.000) 3.329 7.836 ( -8.128 0.000 0.000) 8.128 8.744 ( 1.042 -0.000 -0.000) 1.042 9.545 ( -0.840 0.000 0.000) 0.840 9.724 ( -0.331 0.000 0.000) 0.331 10.373 ( -1.785 0.000 0.000) 1.785 11.629 ( 25.532 -0.000 -0.000) 25.532 12.633 ( -19.983 0.000 0.000) 19.983 12.644 ( 1.674 -0.000 -0.000) 1.674 14.325 ( 2.331 -0.000 -0.000) 2.331 14.523 ( -0.520 0.000 0.000) 0.520 ======================= Grid point 233 (124/135) ======================= q-point: (-0.32 0.43 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -18.947 0.000 14.809) 24.047 1.497 ( 4.222 0.000 19.411) 19.865 1.830 ( -17.039 0.000 -5.295) 17.842 2.015 ( 8.674 -0.000 3.706) 9.433 2.263 ( 9.002 0.000 19.435) 21.418 2.643 ( 8.329 -0.000 7.529) 11.228 3.158 ( 5.970 -0.000 -3.388) 6.865 3.188 ( 3.410 -0.000 0.374) 3.431 3.623 ( -14.714 0.000 -9.694) 17.621 4.125 ( 16.711 -0.000 -5.005) 17.444 4.292 ( 1.050 0.000 6.021) 6.112 4.422 ( 4.697 -0.000 -0.625) 4.738 4.812 ( -10.189 0.000 -6.885) 12.297 5.214 ( 2.955 -0.000 2.045) 3.593 5.385 ( 3.877 -0.000 4.019) 5.584 5.400 ( -6.970 0.000 2.205) 7.311 5.646 ( -2.425 -0.000 -4.479) 5.093 5.908 ( -1.185 0.000 3.418) 3.618 7.208 ( -0.573 -0.000 -7.047) 7.071 7.412 ( -4.070 -0.000 -12.607) 13.248 7.491 ( -10.346 -0.000 -12.440) 16.180 8.503 ( 3.847 -0.000 -19.624) 19.998 9.728 ( -3.708 0.000 16.082) 16.504 10.037 ( 2.019 0.000 26.453) 26.530 10.353 ( -2.821 0.000 1.943) 3.426 12.142 ( -18.977 0.000 -6.430) 20.037 12.218 ( 30.276 -0.000 -2.052) 30.345 12.766 ( 3.408 0.000 7.238) 8.000 14.250 ( -5.377 0.000 -4.700) 7.142 14.465 ( -1.240 -0.000 -3.475) 3.689 ======================= Grid point 239 (125/135) ======================= q-point: ( 0.67 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -13.798 0.000 -3.108) 14.144 1.512 ( -5.933 0.000 21.584) 22.385 1.933 ( 5.378 0.000 10.459) 11.760 2.303 ( 9.988 -0.000 2.059) 10.198 2.864 ( 0.342 0.000 9.493) 9.499 2.982 ( 0.073 0.000 17.303) 17.303 3.108 ( -3.365 0.000 7.657) 8.364 3.336 ( 4.151 -0.000 -0.751) 4.219 3.363 ( 10.346 -0.000 2.916) 10.750 4.278 ( 11.960 -0.000 -10.971) 16.229 4.415 ( -2.963 0.000 7.881) 8.419 4.457 ( -7.344 0.000 -6.839) 10.035 4.515 ( 4.502 -0.000 0.281) 4.511 5.077 ( -11.609 0.000 -4.118) 12.318 5.428 ( 1.253 0.000 2.888) 3.149 5.459 ( -1.987 -0.000 -3.086) 3.670 5.521 ( -1.131 0.000 1.875) 2.190 6.008 ( 0.474 0.000 6.687) 6.704 6.976 ( -4.809 -0.000 -17.084) 17.748 6.992 ( 0.248 -0.000 -12.760) 12.763 7.016 ( -4.394 -0.000 -18.367) 18.886 8.253 ( 6.252 -0.000 -15.981) 17.161 9.946 ( -5.930 0.000 14.665) 15.819 10.315 ( -3.105 0.000 0.387) 3.129 10.766 ( 4.161 0.000 34.895) 35.143 11.665 ( -10.863 0.000 -7.832) 13.392 12.718 ( 23.192 -0.000 -3.913) 23.520 13.040 ( 5.187 0.000 6.702) 8.475 13.938 ( -11.914 0.000 -5.212) 13.004 14.345 ( -0.934 -0.000 -5.652) 5.729 ======================= Grid point 245 (126/135) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.000 0.000 1.692) 1.692 1.710 ( -0.000 0.000 1.053) 1.053 2.153 ( -0.000 0.000 6.870) 6.870 2.558 ( 0.000 -0.000 -15.993) 15.993 2.561 ( -0.000 0.000 14.095) 14.095 3.231 ( -0.000 0.000 3.546) 3.546 3.415 ( -0.000 0.000 1.712) 1.712 3.718 ( -0.000 0.000 18.931) 18.931 3.735 ( -0.000 0.000 33.183) 33.183 4.074 ( 0.000 -0.000 -14.504) 14.504 4.369 ( 0.000 -0.000 -3.084) 3.084 4.505 ( -0.000 0.000 5.486) 5.486 4.586 ( 0.000 -0.000 -0.278) 0.278 4.737 ( 0.000 -0.000 -11.216) 11.216 5.335 ( 0.000 -0.000 -0.918) 0.918 5.439 ( 0.000 -0.000 -2.792) 2.792 5.620 ( -0.000 0.000 5.968) 5.968 6.180 ( -0.000 0.000 8.379) 8.379 6.481 ( 0.000 -0.000 -25.782) 25.782 6.726 ( 0.000 -0.000 -3.655) 3.655 6.747 ( 0.000 -0.000 -10.604) 10.604 7.995 ( 0.000 -0.000 -17.243) 17.243 10.135 ( -0.000 0.000 11.229) 11.229 10.263 ( 0.000 -0.000 -1.293) 1.293 11.394 ( 0.000 -0.000 -7.407) 7.407 11.518 ( -0.000 0.000 31.094) 31.094 12.849 ( 0.000 -0.000 -16.778) 16.778 13.198 ( -0.000 0.000 11.896) 11.896 13.754 ( -0.000 0.000 0.988) 0.988 14.207 ( 0.000 -0.000 -6.582) 6.582 ======================= Grid point 249 (127/135) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -20.950 -0.335 0.000) 20.952 1.270 ( -0.652 -1.643 0.000) 1.768 1.462 ( -14.530 5.720 0.000) 15.616 2.173 ( 13.255 0.882 -0.000) 13.284 2.387 ( 16.087 2.118 -0.000) 16.226 2.685 ( -4.078 -2.746 0.000) 4.916 3.361 ( -16.572 1.341 0.000) 16.626 3.365 ( 8.076 -5.544 -0.000) 9.796 3.508 ( 10.753 -10.297 -0.000) 14.888 3.975 ( -8.079 15.327 0.000) 17.326 4.402 ( 11.529 5.691 -0.000) 12.857 4.612 ( -8.727 1.560 0.000) 8.865 4.637 ( 5.152 -6.393 -0.000) 8.210 5.198 ( -8.838 -0.288 0.000) 8.842 5.237 ( 4.268 4.063 -0.000) 5.893 5.365 ( -2.498 -0.084 0.000) 2.499 5.753 ( 1.949 -2.467 -0.000) 3.144 5.915 ( -2.506 -7.169 0.000) 7.595 7.376 ( -1.984 -1.152 0.000) 2.295 7.405 ( -1.597 -4.024 0.000) 4.329 7.521 ( -2.625 -3.004 0.000) 3.989 8.723 ( -0.145 7.410 -0.000) 7.411 9.538 ( -0.332 -2.121 0.000) 2.147 9.701 ( -0.133 1.189 0.000) 1.196 10.303 ( -1.312 -0.843 0.000) 1.559 11.779 ( -9.091 6.712 0.000) 11.300 12.703 ( 1.042 0.941 -0.000) 1.404 13.010 ( 29.130 -6.382 -0.000) 29.821 14.091 ( -14.413 -0.530 0.000) 14.423 14.478 ( -1.883 0.011 0.000) 1.883 ======================= Grid point 254 (128/135) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -0.000 -4.637 33.388) 33.709 1.261 ( 0.000 2.437 -2.266) 3.328 1.587 ( -0.000 0.888 23.805) 23.821 2.504 ( 0.000 0.325 -3.539) 3.554 2.550 ( -0.000 1.087 12.317) 12.365 2.668 ( 0.000 2.935 7.816) 8.349 3.092 ( -0.000 -1.782 -4.123) 4.492 3.489 ( -0.000 -8.215 -0.587) 8.236 3.606 ( -0.000 -8.728 -3.023) 9.237 3.896 ( 0.000 22.061 4.252) 22.467 4.510 ( -0.000 -2.947 0.511) 2.991 4.546 ( 0.000 1.073 1.820) 2.112 4.650 ( 0.000 -0.913 -6.744) 6.806 5.037 ( -0.000 -2.138 -3.180) 3.832 5.343 ( 0.000 5.972 3.767) 7.061 5.353 ( -0.000 -0.301 3.172) 3.186 5.727 ( -0.000 -10.067 -6.857) 12.180 5.896 ( -0.000 0.784 4.189) 4.262 7.169 ( 0.000 1.056 -11.638) 11.686 7.328 ( -0.000 -6.694 -10.809) 12.714 7.368 ( -0.000 -3.778 -12.030) 12.609 8.530 ( 0.000 9.533 -13.876) 16.835 9.646 ( -0.000 -2.066 9.930) 10.143 10.088 ( -0.000 0.478 31.128) 31.131 10.295 ( -0.000 -1.200 0.678) 1.378 11.629 ( 0.000 2.797 -3.624) 4.578 12.783 ( -0.000 0.726 6.429) 6.470 13.430 ( -0.000 -4.791 -7.254) 8.694 13.757 ( -0.000 -0.382 -0.656) 0.759 14.422 ( 0.000 0.884 -3.393) 3.507 ======================= Grid point 276 (129/135) ======================= q-point: (-0.37 0.37 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -25.239 0.000 0.000) 25.239 1.218 ( 1.879 -0.000 -0.000) 1.879 1.923 ( -20.173 0.000 0.000) 20.173 1.962 ( 7.217 -0.000 -0.000) 7.217 2.049 ( 16.937 -0.000 -0.000) 16.937 2.575 ( 9.341 -0.000 -0.000) 9.341 3.185 ( 3.726 -0.000 -0.000) 3.726 3.195 ( 5.674 -0.000 -0.000) 5.674 3.740 ( -16.662 0.000 0.000) 16.662 4.177 ( 16.987 -0.000 -0.000) 16.987 4.199 ( 1.026 -0.000 -0.000) 1.026 4.444 ( 3.970 -0.000 -0.000) 3.970 4.888 ( -12.077 0.000 0.000) 12.077 5.193 ( 5.172 -0.000 -0.000) 5.172 5.341 ( 5.115 -0.000 -0.000) 5.115 5.372 ( -6.998 0.000 0.000) 6.998 5.698 ( -1.658 0.000 0.000) 1.658 5.872 ( -1.360 0.000 0.000) 1.360 7.282 ( 0.279 -0.000 -0.000) 0.279 7.545 ( -4.382 0.000 0.000) 4.382 7.629 ( -10.589 0.000 0.000) 10.589 8.770 ( 1.434 -0.000 -0.000) 1.434 9.529 ( -0.696 0.000 0.000) 0.696 9.717 ( -0.284 0.000 0.000) 0.284 10.331 ( -2.055 0.000 0.000) 2.055 12.209 ( -19.912 0.000 0.000) 19.912 12.245 ( 32.704 -0.000 -0.000) 32.704 12.681 ( 1.753 -0.000 -0.000) 1.753 14.301 ( -5.273 0.000 0.000) 5.273 14.502 ( -1.264 0.000 0.000) 1.264 ======================= Grid point 282 (130/135) ======================= q-point: (-0.38 0.49 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -13.962 0.000 26.232) 29.716 1.457 ( -15.156 0.000 -3.733) 15.609 1.573 ( 2.169 0.000 22.435) 22.540 2.260 ( 13.444 -0.000 4.400) 14.146 2.506 ( 12.784 -0.000 11.061) 16.905 2.701 ( -3.184 0.000 7.143) 7.820 3.255 ( -7.528 0.000 -8.461) 11.326 3.346 ( 10.574 -0.000 -0.031) 10.574 3.363 ( 0.126 -0.000 -1.309) 1.315 4.249 ( -3.817 0.000 7.057) 8.024 4.454 ( 14.057 -0.000 -5.856) 15.228 4.517 ( 3.741 -0.000 -0.120) 3.743 4.566 ( -11.946 0.000 -3.688) 12.502 5.150 ( -8.560 0.000 -3.145) 9.120 5.347 ( 1.446 0.000 4.289) 4.526 5.407 ( -0.299 0.000 3.199) 3.213 5.622 ( -1.019 -0.000 -6.035) 6.120 5.900 ( 0.218 0.000 3.672) 3.679 7.228 ( 1.918 -0.000 -9.061) 9.261 7.269 ( -7.827 -0.000 -11.764) 14.129 7.363 ( -2.576 -0.000 -12.324) 12.590 8.583 ( 3.424 -0.000 -15.694) 16.063 9.658 ( -2.812 0.000 11.986) 12.311 10.076 ( 1.622 0.000 29.733) 29.777 10.303 ( -1.813 0.000 0.683) 1.937 11.798 ( -12.787 0.000 -4.707) 13.626 12.734 ( 9.062 -0.000 1.403) 9.170 12.956 ( 23.420 -0.000 1.684) 23.480 14.041 ( -14.634 0.000 -4.106) 15.199 14.441 ( -0.968 -0.000 -3.426) 3.560 ======================= Grid point 288 (131/135) ======================= q-point: ( 0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 -0.000 -1.858) 1.858 1.449 ( -0.000 0.000 24.235) 24.235 1.996 ( -0.000 0.000 11.306) 11.306 2.422 ( 0.000 -0.000 -0.875) 0.875 2.861 ( 0.000 -0.000 -12.899) 12.899 2.969 ( -0.000 0.000 20.194) 20.194 3.058 ( -0.000 0.000 28.578) 28.578 3.409 ( 0.000 -0.000 -0.663) 0.663 3.503 ( -0.000 0.000 2.573) 2.573 4.317 ( 0.000 -0.000 -7.611) 7.611 4.358 ( -0.000 0.000 8.313) 8.313 4.476 ( 0.000 -0.000 -7.931) 7.931 4.580 ( -0.000 0.000 0.845) 0.845 4.917 ( 0.000 -0.000 -6.545) 6.545 5.439 ( 0.000 -0.000 -7.792) 7.792 5.442 ( -0.000 0.000 2.452) 2.452 5.500 ( -0.000 0.000 5.509) 5.509 6.016 ( -0.000 0.000 6.881) 6.881 6.906 ( 0.000 -0.000 -12.870) 12.870 6.983 ( 0.000 -0.000 -21.595) 21.595 6.999 ( 0.000 -0.000 -13.301) 13.301 8.326 ( 0.000 -0.000 -15.099) 15.099 9.877 ( -0.000 0.000 13.261) 13.261 10.282 ( 0.000 -0.000 -0.465) 0.465 10.816 ( -0.000 0.000 36.268) 36.268 11.543 ( 0.000 -0.000 -6.745) 6.745 12.964 ( -0.000 0.000 10.386) 10.386 13.163 ( 0.000 -0.000 -13.391) 13.391 13.747 ( 0.000 -0.000 -0.149) 0.149 14.334 ( 0.000 -0.000 -5.651) 5.651 ======================= Grid point 298 (132/135) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -0.000 -6.408 0.000) 6.408 1.268 ( 0.000 0.419 -0.000) 0.419 1.289 ( 0.000 3.561 -0.000) 3.561 2.412 ( -0.000 -1.611 0.000) 1.611 2.547 ( 0.000 1.274 -0.000) 1.274 2.610 ( 0.000 3.656 -0.000) 3.656 3.132 ( -0.000 -0.248 0.000) 0.248 3.496 ( -0.000 -7.996 0.000) 7.996 3.645 ( -0.000 -10.949 0.000) 10.949 3.845 ( 0.000 21.512 -0.000) 21.512 4.506 ( -0.000 -1.798 0.000) 1.798 4.525 ( 0.000 2.056 -0.000) 2.056 4.724 ( -0.000 -0.805 0.000) 0.805 5.071 ( -0.000 -2.219 0.000) 2.219 5.302 ( 0.000 6.285 -0.000) 6.285 5.313 ( -0.000 -0.761 0.000) 0.761 5.807 ( -0.000 -10.301 0.000) 10.301 5.852 ( 0.000 1.236 -0.000) 1.236 7.300 ( 0.000 0.999 -0.000) 0.999 7.448 ( -0.000 -7.364 0.000) 7.364 7.495 ( -0.000 -3.582 0.000) 3.582 8.720 ( 0.000 9.021 -0.000) 9.021 9.535 ( -0.000 -2.193 0.000) 2.193 9.699 ( 0.000 1.157 -0.000) 1.157 10.288 ( -0.000 -0.885 0.000) 0.885 11.667 ( 0.000 3.200 -0.000) 3.200 12.714 ( 0.000 1.018 -0.000) 1.018 13.507 ( -0.000 -4.569 0.000) 4.569 13.764 ( -0.000 -0.728 0.000) 0.728 14.458 ( 0.000 0.893 -0.000) 0.893 ======================= Grid point 326 (133/135) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -24.810 0.000 0.000) 24.810 1.257 ( 1.598 -0.000 -0.000) 1.598 1.514 ( -16.758 0.000 0.000) 16.758 2.187 ( 12.879 -0.000 -0.000) 12.879 2.407 ( 16.773 -0.000 -0.000) 16.773 2.650 ( -2.586 0.000 0.000) 2.586 3.347 ( 10.818 -0.000 -0.000) 10.818 3.354 ( 7.897 -0.000 -0.000) 7.897 3.375 ( -17.313 0.000 0.000) 17.313 4.168 ( -3.047 0.000 0.000) 3.047 4.514 ( 14.786 -0.000 -0.000) 14.786 4.518 ( 2.636 -0.000 -0.000) 2.636 4.604 ( -13.470 0.000 0.000) 13.470 5.194 ( -9.555 0.000 0.000) 9.555 5.288 ( 3.340 -0.000 -0.000) 3.340 5.373 ( -0.373 0.000 0.000) 0.373 5.692 ( -0.193 0.000 0.000) 0.193 5.861 ( 0.111 -0.000 -0.000) 0.111 7.327 ( 3.246 -0.000 -0.000) 3.246 7.400 ( -7.896 0.000 0.000) 7.896 7.492 ( -2.840 0.000 0.000) 2.840 8.798 ( 1.049 -0.000 -0.000) 1.049 9.517 ( -0.398 0.000 0.000) 0.398 9.713 ( -0.165 0.000 0.000) 0.165 10.294 ( -1.350 0.000 0.000) 1.350 11.848 ( -13.476 0.000 0.000) 13.476 12.712 ( 1.113 -0.000 -0.000) 1.113 12.943 ( 32.880 -0.000 -0.000) 32.880 14.086 ( -15.465 0.000 0.000) 15.465 14.477 ( -0.996 0.000 0.000) 0.996 ======================= Grid point 332 (134/135) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.000 0.000 33.855) 33.855 1.280 ( 0.000 -0.000 -3.429) 3.429 1.599 ( -0.000 0.000 24.558) 24.558 2.497 ( 0.000 -0.000 -4.308) 4.308 2.570 ( -0.000 0.000 15.820) 15.820 2.698 ( -0.000 0.000 7.043) 7.043 3.065 ( 0.000 -0.000 -6.561) 6.561 3.432 ( 0.000 -0.000 -1.429) 1.429 3.495 ( 0.000 -0.000 -0.431) 0.431 4.196 ( -0.000 0.000 6.500) 6.500 4.407 ( 0.000 -0.000 -2.366) 2.366 4.558 ( -0.000 0.000 1.032) 1.032 4.644 ( 0.000 -0.000 -6.669) 6.669 5.015 ( 0.000 -0.000 -3.136) 3.136 5.368 ( -0.000 0.000 3.768) 3.768 5.404 ( -0.000 0.000 3.523) 3.523 5.604 ( 0.000 -0.000 -7.078) 7.078 5.905 ( -0.000 0.000 3.792) 3.792 7.180 ( 0.000 -0.000 -11.609) 11.609 7.254 ( 0.000 -0.000 -10.309) 10.309 7.336 ( 0.000 -0.000 -12.126) 12.126 8.623 ( 0.000 -0.000 -13.671) 13.671 9.626 ( -0.000 0.000 10.058) 10.058 10.095 ( -0.000 0.000 31.242) 31.242 10.283 ( -0.000 0.000 0.211) 0.211 11.657 ( 0.000 -0.000 -3.991) 3.991 12.789 ( -0.000 0.000 6.155) 6.155 13.382 ( 0.000 -0.000 -7.533) 7.533 13.753 ( 0.000 -0.000 -0.316) 0.316 14.430 ( 0.000 -0.000 -3.399) 3.399 ======================= Grid point 377 (135/135) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 0.000 0.000 -0.000) 0.000 1.275 ( 0.000 0.000 -0.000) 0.000 1.321 ( 0.000 0.000 -0.000) 0.000 2.396 ( 0.000 0.000 -0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.646 ( 0.000 0.000 -0.000) 0.000 3.130 ( 0.000 0.000 -0.000) 0.000 3.451 ( -0.000 -0.000 0.000) 0.000 3.501 ( 0.000 0.000 -0.000) 0.000 4.124 ( 0.000 0.000 -0.000) 0.000 4.431 ( 0.000 0.000 -0.000) 0.000 4.546 ( 0.000 0.000 -0.000) 0.000 4.716 ( 0.000 0.000 -0.000) 0.000 5.048 ( 0.000 0.000 -0.000) 0.000 5.323 ( -0.000 -0.000 0.000) 0.000 5.366 ( 0.000 0.000 -0.000) 0.000 5.685 ( 0.000 0.000 -0.000) 0.000 5.865 ( 0.000 0.000 -0.000) 0.000 7.310 ( 0.000 0.000 -0.000) 0.000 7.370 ( 0.000 0.000 -0.000) 0.000 7.463 ( 0.000 0.000 -0.000) 0.000 8.809 ( 0.000 0.000 -0.000) 0.000 9.513 ( 0.000 0.000 -0.000) 0.000 9.711 ( 0.000 0.000 -0.000) 0.000 10.279 ( 0.000 0.000 -0.000) 0.000 11.699 ( 0.000 0.000 -0.000) 0.000 12.724 ( 0.000 0.000 -0.000) 0.000 13.462 ( 0.000 0.000 -0.000) 0.000 13.757 ( 0.000 0.000 -0.000) 0.000 14.466 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21600 10.0 83.584 90.684 24.248 0.000 -0.000 0.000 3/21600 20.0 24.519 18.962 13.693 0.000 -0.000 0.000 3/21600 30.0 13.343 9.786 9.938 0.000 -0.000 0.000 3/21600 40.0 9.084 6.380 7.869 0.000 -0.000 0.000 3/21600 50.0 6.930 4.666 6.572 0.000 -0.000 0.000 3/21600 60.0 5.637 3.666 5.711 0.000 -0.000 0.000 3/21600 70.0 4.769 3.022 5.104 0.000 -0.000 0.000 3/21600 80.0 4.141 2.574 4.648 0.000 -0.000 0.000 3/21600 90.0 3.663 2.247 4.284 0.000 -0.000 0.000 3/21600 100.0 3.286 1.996 3.981 0.000 -0.000 0.000 3/21600 110.0 2.980 1.798 3.721 0.000 -0.000 0.000 3/21600 120.0 2.728 1.637 3.493 0.000 -0.000 0.000 3/21600 130.0 2.515 1.503 3.290 0.000 -0.000 0.000 3/21600 140.0 2.334 1.391 3.109 0.000 -0.000 0.000 3/21600 150.0 2.177 1.294 2.945 0.000 -0.000 0.000 3/21600 160.0 2.040 1.211 2.797 0.000 -0.000 0.000 3/21600 170.0 1.920 1.138 2.662 0.000 -0.000 0.000 3/21600 180.0 1.813 1.074 2.538 0.000 -0.000 0.000 3/21600 190.0 1.718 1.016 2.425 0.000 -0.000 0.000 3/21600 200.0 1.632 0.965 2.320 0.000 -0.000 0.000 3/21600 210.0 1.554 0.919 2.224 0.000 -0.000 0.000 3/21600 220.0 1.484 0.877 2.135 0.000 -0.000 0.000 3/21600 230.0 1.420 0.838 2.053 0.000 -0.000 0.000 3/21600 240.0 1.361 0.803 1.976 0.000 -0.000 0.000 3/21600 250.0 1.307 0.771 1.905 0.000 -0.000 0.000 3/21600 260.0 1.257 0.741 1.839 0.000 -0.000 0.000 3/21600 270.0 1.211 0.714 1.776 0.000 -0.000 0.000 3/21600 280.0 1.168 0.688 1.718 0.000 -0.000 0.000 3/21600 290.0 1.128 0.665 1.663 0.000 -0.000 0.000 3/21600 300.0 1.090 0.643 1.612 0.000 -0.000 0.000 3/21600 310.0 1.055 0.622 1.563 0.000 -0.000 0.000 3/21600 320.0 1.022 0.602 1.518 0.000 -0.000 0.000 3/21600 330.0 0.992 0.584 1.474 0.000 -0.000 0.000 3/21600 340.0 0.963 0.567 1.434 0.000 -0.000 0.000 3/21600 350.0 0.935 0.551 1.395 0.000 -0.000 0.000 3/21600 360.0 0.910 0.536 1.358 0.000 -0.000 0.000 3/21600 370.0 0.885 0.521 1.323 0.000 -0.000 0.000 3/21600 380.0 0.862 0.508 1.290 0.000 -0.000 0.000 3/21600 390.0 0.840 0.495 1.259 0.000 -0.000 0.000 3/21600 400.0 0.819 0.482 1.228 0.000 -0.000 0.000 3/21600 410.0 0.799 0.471 1.200 0.000 -0.000 0.000 3/21600 420.0 0.780 0.459 1.172 0.000 -0.000 0.000 3/21600 430.0 0.762 0.449 1.146 0.000 -0.000 0.000 3/21600 440.0 0.745 0.439 1.121 0.000 -0.000 0.000 3/21600 450.0 0.729 0.429 1.097 0.000 -0.000 0.000 3/21600 460.0 0.713 0.420 1.074 0.000 -0.000 0.000 3/21600 470.0 0.698 0.411 1.052 0.000 -0.000 0.000 3/21600 480.0 0.683 0.402 1.031 0.000 -0.000 0.000 3/21600 490.0 0.669 0.394 1.010 0.000 -0.000 0.000 3/21600 500.0 0.656 0.386 0.991 0.000 -0.000 0.000 3/21600 510.0 0.643 0.379 0.972 0.000 -0.000 0.000 3/21600 520.0 0.631 0.371 0.954 0.000 -0.000 0.000 3/21600 530.0 0.619 0.364 0.936 0.000 -0.000 0.000 3/21600 540.0 0.608 0.358 0.919 0.000 -0.000 0.000 3/21600 550.0 0.597 0.351 0.903 0.000 -0.000 0.000 3/21600 560.0 0.586 0.345 0.887 0.000 -0.000 0.000 3/21600 570.0 0.576 0.339 0.872 0.000 -0.000 0.000 3/21600 580.0 0.566 0.333 0.857 0.000 -0.000 0.000 3/21600 590.0 0.556 0.327 0.843 0.000 -0.000 0.000 3/21600 600.0 0.547 0.322 0.829 0.000 -0.000 0.000 3/21600 610.0 0.538 0.317 0.816 0.000 -0.000 0.000 3/21600 620.0 0.529 0.312 0.803 0.000 -0.000 0.000 3/21600 630.0 0.521 0.307 0.790 0.000 -0.000 0.000 3/21600 640.0 0.513 0.302 0.778 0.000 -0.000 0.000 3/21600 650.0 0.505 0.297 0.767 0.000 -0.000 0.000 3/21600 660.0 0.497 0.293 0.755 0.000 -0.000 0.000 3/21600 670.0 0.490 0.288 0.744 0.000 -0.000 0.000 3/21600 680.0 0.483 0.284 0.733 0.000 -0.000 0.000 3/21600 690.0 0.476 0.280 0.723 0.000 -0.000 0.000 3/21600 700.0 0.469 0.276 0.713 0.000 -0.000 0.000 3/21600 710.0 0.463 0.272 0.703 0.000 -0.000 0.000 3/21600 720.0 0.456 0.268 0.693 0.000 -0.000 0.000 3/21600 730.0 0.450 0.265 0.684 0.000 -0.000 0.000 3/21600 740.0 0.444 0.261 0.675 0.000 -0.000 0.000 3/21600 750.0 0.438 0.258 0.666 0.000 -0.000 0.000 3/21600 760.0 0.432 0.254 0.657 0.000 -0.000 0.000 3/21600 770.0 0.427 0.251 0.649 0.000 -0.000 0.000 3/21600 780.0 0.421 0.248 0.641 0.000 -0.000 0.000 3/21600 790.0 0.416 0.245 0.633 0.000 -0.000 0.000 3/21600 800.0 0.411 0.242 0.625 0.000 -0.000 0.000 3/21600 810.0 0.406 0.239 0.617 0.000 -0.000 0.000 3/21600 820.0 0.401 0.236 0.610 0.000 -0.000 0.000 3/21600 830.0 0.396 0.233 0.603 0.000 -0.000 0.000 3/21600 840.0 0.391 0.230 0.595 0.000 -0.000 0.000 3/21600 850.0 0.387 0.227 0.588 0.000 -0.000 0.000 3/21600 860.0 0.382 0.225 0.582 0.000 -0.000 0.000 3/21600 870.0 0.378 0.222 0.575 0.000 -0.000 0.000 3/21600 880.0 0.373 0.220 0.569 0.000 -0.000 0.000 3/21600 890.0 0.369 0.217 0.562 0.000 -0.000 0.000 3/21600 900.0 0.365 0.215 0.556 0.000 -0.000 0.000 3/21600 910.0 0.361 0.212 0.550 0.000 -0.000 0.000 3/21600 920.0 0.357 0.210 0.544 0.000 -0.000 0.000 3/21600 930.0 0.353 0.208 0.538 0.000 -0.000 0.000 3/21600 940.0 0.350 0.206 0.533 0.000 -0.000 0.000 3/21600 950.0 0.346 0.204 0.527 0.000 -0.000 0.000 3/21600 960.0 0.342 0.201 0.522 0.000 -0.000 0.000 3/21600 970.0 0.339 0.199 0.516 0.000 -0.000 0.000 3/21600 980.0 0.335 0.197 0.511 0.000 -0.000 0.000 3/21600 990.0 0.332 0.195 0.506 0.000 -0.000 0.000 3/21600 1000.0 0.329 0.193 0.501 0.000 -0.000 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m11720.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:46:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|