----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:44:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.360590485000000 3.360590485000000 3.053992340000000 b 3.360590485000000 -3.360590485000000 3.053992340000000 c 3.360590485000000 3.360590485000000 -3.053992340000000 Atomic positions (fractional): *1 O 0.18544861741943 0.99865522440367 0.81320660698424 15.999 2 O 0.18544861741943 0.37224201043520 0.18679339301576 15.999 3 O 0.74865522440367 0.43544861741943 0.31320660698424 15.999 4 O 0.56455138258057 0.25134477559633 0.68679339301576 15.999 5 O 0.12224201043520 0.43544861741943 0.68679339301576 15.999 6 O 0.00134477559633 0.81455138258057 0.18679339301576 15.999 7 O 0.56455138258057 0.87775798956480 0.31320660698424 15.999 8 O 0.62775798956480 0.81455138258057 0.81320660698424 15.999 *9 Sc 0.25000000000000 0.75000000000000 0.50000000000000 44.956 10 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 *11 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 12 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.721180970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.721180970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.107984680000000 Atomic positions (fractional): *1 O 0.31320660698424 0.50000000000000 0.68544861741943 15.999 > 1 2 O 0.68679339301576 0.50000000000000 0.68544861741943 15.999 > 2 3 O 0.00000000000000 0.31320660698424 0.43544861741943 15.999 > 3 4 O 0.18679339301576 0.50000000000000 0.06455138258057 15.999 > 4 5 O 0.50000000000000 0.18679339301576 0.93544861741943 15.999 > 5 6 O 0.00000000000000 0.18679339301576 0.81455138258057 15.999 > 6 7 O 0.31320660698424 0.00000000000000 0.56455138258057 15.999 > 7 8 O 0.00000000000000 0.81320660698424 0.81455138258057 15.999 > 8 9 O 0.81320660698424 0.00000000000000 0.18544861741943 15.999 > 1 10 O 0.18679339301576 0.00000000000000 0.18544861741943 15.999 > 2 11 O 0.50000000000000 0.81320660698424 0.93544861741943 15.999 > 3 12 O 0.68679339301576 0.00000000000000 0.56455138258057 15.999 > 4 13 O 0.00000000000000 0.68679339301576 0.43544861741943 15.999 > 5 14 O 0.50000000000000 0.68679339301576 0.31455138258057 15.999 > 6 15 O 0.81320660698424 0.50000000000000 0.06455138258057 15.999 > 7 16 O 0.50000000000000 0.31320660698424 0.31455138258057 15.999 > 8 *17 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 9 18 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 10 19 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 9 20 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 10 *21 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 11 22 As 0.50000000000000 0.00000000000000 0.75000000000000 74.922 > 12 23 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 11 24 As 0.00000000000000 0.50000000000000 0.25000000000000 74.922 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.721180970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.721180970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.215969360000001 Atomic positions (fractional): *1 O 0.31320660698424 0.50000000000000 0.34272430870972 15.999 > 1 2 O 0.31320660698424 0.50000000000000 0.84272430870972 15.999 > 1 3 O 0.68679339301576 0.50000000000000 0.34272430870972 15.999 > 2 4 O 0.68679339301576 0.50000000000000 0.84272430870972 15.999 > 2 5 O 0.00000000000000 0.31320660698424 0.21772430870972 15.999 > 3 6 O 0.00000000000000 0.31320660698424 0.71772430870972 15.999 > 3 7 O 0.18679339301576 0.50000000000000 0.03227569129028 15.999 > 4 8 O 0.18679339301576 0.50000000000000 0.53227569129028 15.999 > 4 9 O 0.50000000000000 0.18679339301576 0.46772430870972 15.999 > 5 10 O 0.50000000000000 0.18679339301576 0.96772430870972 15.999 > 5 11 O 0.00000000000000 0.18679339301576 0.40727569129028 15.999 > 6 12 O 0.00000000000000 0.18679339301576 0.90727569129028 15.999 > 6 13 O 0.31320660698424 0.00000000000000 0.28227569129028 15.999 > 7 14 O 0.31320660698424 0.00000000000000 0.78227569129028 15.999 > 7 15 O 0.00000000000000 0.81320660698424 0.40727569129028 15.999 > 8 16 O 0.00000000000000 0.81320660698424 0.90727569129028 15.999 > 8 17 O 0.81320660698424 0.00000000000000 0.09272430870972 15.999 > 1 18 O 0.81320660698424 0.00000000000000 0.59272430870972 15.999 > 1 19 O 0.18679339301576 0.00000000000000 0.09272430870972 15.999 > 2 20 O 0.18679339301576 0.00000000000000 0.59272430870972 15.999 > 2 21 O 0.50000000000000 0.81320660698424 0.46772430870972 15.999 > 3 22 O 0.50000000000000 0.81320660698424 0.96772430870972 15.999 > 3 23 O 0.68679339301576 0.00000000000000 0.28227569129028 15.999 > 4 24 O 0.68679339301576 0.00000000000000 0.78227569129028 15.999 > 4 25 O 0.00000000000000 0.68679339301576 0.21772430870972 15.999 > 5 26 O 0.00000000000000 0.68679339301576 0.71772430870972 15.999 > 5 27 O 0.50000000000000 0.68679339301576 0.15727569129028 15.999 > 6 28 O 0.50000000000000 0.68679339301576 0.65727569129028 15.999 > 6 29 O 0.81320660698424 0.50000000000000 0.03227569129028 15.999 > 7 30 O 0.81320660698424 0.50000000000000 0.53227569129028 15.999 > 7 31 O 0.50000000000000 0.31320660698424 0.15727569129028 15.999 > 8 32 O 0.50000000000000 0.31320660698424 0.65727569129028 15.999 > 8 *33 Sc 0.00000000000000 0.50000000000000 0.37500000000000 44.956 > 9 34 Sc 0.00000000000000 0.50000000000000 0.87500000000000 44.956 > 9 35 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 10 36 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 10 37 Sc 0.50000000000000 0.00000000000000 0.12500000000000 44.956 > 9 38 Sc 0.50000000000000 0.00000000000000 0.62500000000000 44.956 > 9 39 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 10 40 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 10 *41 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 11 42 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 11 43 As 0.50000000000000 0.00000000000000 0.37500000000000 74.922 > 12 44 As 0.50000000000000 0.00000000000000 0.87500000000000 74.922 > 12 45 As 0.50000000000000 0.50000000000000 0.25000000000000 74.922 > 11 46 As 0.50000000000000 0.50000000000000 0.75000000000000 74.922 > 11 47 As 0.00000000000000 0.50000000000000 0.12500000000000 74.922 > 12 48 As 0.00000000000000 0.50000000000000 0.62500000000000 74.922 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9524365 0.0000000 0.0000000 0.0000000 3.9524365 0.0000000 0.0000000 0.0000000 4.6391494 -------------------------- Born effective charges -------------------------- 1 O -2.7522083 0.0000000 0.5219544 0.0000000 -1.0743469 0.0000000 0.4010503 0.0000000 -2.1463990 2 O -2.7522083 0.0000000 -0.5219544 0.0000000 -1.0743469 0.0000000 -0.4010503 0.0000000 -2.1463990 3 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 0.5219544 0.0000000 0.4010503 -2.1463990 4 O -2.7522083 0.0000000 0.5219544 0.0000000 -1.0743469 0.0000000 0.4010503 0.0000000 -2.1463990 5 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 -0.5219544 0.0000000 -0.4010503 -2.1463990 6 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 0.5219544 0.0000000 0.4010503 -2.1463990 7 O -2.7522083 0.0000000 -0.5219544 0.0000000 -1.0743469 0.0000000 -0.4010503 0.0000000 -2.1463990 8 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 -0.5219544 0.0000000 -0.4010503 -2.1463990 9 Sc 4.1976351 0.0000000 0.0000000 0.0000000 4.1976351 0.0000000 0.0000000 0.0000000 4.0920093 10 Sc 4.1976351 0.0000000 0.0000000 0.0000000 4.1976351 0.0000000 0.0000000 0.0000000 4.0920093 11 As 3.4554753 0.0000000 0.0000000 0.0000000 3.4554753 0.0000000 0.0000000 0.0000000 4.4935865 12 As 3.4554753 0.0000000 0.0000000 0.0000000 3.4554753 0.0000000 0.0000000 0.0000000 4.4935865 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.040 Solver_block: 160 / 160 - Time: 0.025 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.067 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:44:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:44:36]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.360590485000000 3.360590485000000 3.053992340000000 b 3.360590485000000 -3.360590485000000 3.053992340000000 c 3.360590485000000 3.360590485000000 -3.053992340000000 Atomic positions (fractional): 1 O 0.18544861741943 0.99865522440367 0.81320660698424 15.999 2 O 0.18544861741943 0.37224201043520 0.18679339301576 15.999 3 O 0.74865522440367 0.43544861741943 0.31320660698424 15.999 4 O 0.56455138258057 0.25134477559633 0.68679339301576 15.999 5 O 0.12224201043520 0.43544861741943 0.68679339301576 15.999 6 O 0.00134477559633 0.81455138258057 0.18679339301576 15.999 7 O 0.56455138258057 0.87775798956480 0.31320660698424 15.999 8 O 0.62775798956480 0.81455138258057 0.81320660698424 15.999 9 Sc 0.25000000000000 0.75000000000000 0.50000000000000 44.956 10 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 11 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 12 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.721180970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.721180970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.215969360000001 Atomic positions (fractional): 1 O 0.31320660698424 0.50000000000000 0.34272430870972 15.999 > 1 2 O 0.31320660698424 0.50000000000000 0.84272430870972 15.999 > 1 3 O 0.68679339301576 0.50000000000000 0.34272430870972 15.999 > 3 4 O 0.68679339301576 0.50000000000000 0.84272430870972 15.999 > 3 5 O 0.00000000000000 0.31320660698424 0.21772430870972 15.999 > 5 6 O 0.00000000000000 0.31320660698424 0.71772430870972 15.999 > 5 7 O 0.18679339301576 0.50000000000000 0.03227569129028 15.999 > 7 8 O 0.18679339301576 0.50000000000000 0.53227569129028 15.999 > 7 9 O 0.50000000000000 0.18679339301576 0.46772430870972 15.999 > 9 10 O 0.50000000000000 0.18679339301576 0.96772430870972 15.999 > 9 11 O 0.00000000000000 0.18679339301576 0.40727569129028 15.999 > 11 12 O 0.00000000000000 0.18679339301576 0.90727569129028 15.999 > 11 13 O 0.31320660698424 0.00000000000000 0.28227569129028 15.999 > 13 14 O 0.31320660698424 0.00000000000000 0.78227569129028 15.999 > 13 15 O 0.00000000000000 0.81320660698424 0.40727569129028 15.999 > 15 16 O 0.00000000000000 0.81320660698424 0.90727569129028 15.999 > 15 17 O 0.81320660698424 0.00000000000000 0.09272430870972 15.999 > 1 18 O 0.81320660698424 0.00000000000000 0.59272430870972 15.999 > 1 19 O 0.18679339301576 0.00000000000000 0.09272430870972 15.999 > 3 20 O 0.18679339301576 0.00000000000000 0.59272430870972 15.999 > 3 21 O 0.50000000000000 0.81320660698424 0.46772430870972 15.999 > 5 22 O 0.50000000000000 0.81320660698424 0.96772430870972 15.999 > 5 23 O 0.68679339301576 0.00000000000000 0.28227569129028 15.999 > 7 24 O 0.68679339301576 0.00000000000000 0.78227569129028 15.999 > 7 25 O 0.00000000000000 0.68679339301576 0.21772430870972 15.999 > 9 26 O 0.00000000000000 0.68679339301576 0.71772430870972 15.999 > 9 27 O 0.50000000000000 0.68679339301576 0.15727569129028 15.999 > 11 28 O 0.50000000000000 0.68679339301576 0.65727569129028 15.999 > 11 29 O 0.81320660698424 0.50000000000000 0.03227569129028 15.999 > 13 30 O 0.81320660698424 0.50000000000000 0.53227569129028 15.999 > 13 31 O 0.50000000000000 0.31320660698424 0.15727569129028 15.999 > 15 32 O 0.50000000000000 0.31320660698424 0.65727569129028 15.999 > 15 33 Sc 0.00000000000000 0.50000000000000 0.37500000000000 44.956 > 33 34 Sc 0.00000000000000 0.50000000000000 0.87500000000000 44.956 > 33 35 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 35 36 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 35 37 Sc 0.50000000000000 0.00000000000000 0.12500000000000 44.956 > 33 38 Sc 0.50000000000000 0.00000000000000 0.62500000000000 44.956 > 33 39 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 35 40 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 35 41 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 41 42 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 41 43 As 0.50000000000000 0.00000000000000 0.37500000000000 74.922 > 43 44 As 0.50000000000000 0.00000000000000 0.87500000000000 74.922 > 43 45 As 0.50000000000000 0.50000000000000 0.25000000000000 74.922 > 41 46 As 0.50000000000000 0.50000000000000 0.75000000000000 74.922 > 41 47 As 0.00000000000000 0.50000000000000 0.12500000000000 74.922 > 43 48 As 0.00000000000000 0.50000000000000 0.62500000000000 74.922 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9524365 0.0000000 0.0000000 0.0000000 3.9524365 0.0000000 0.0000000 0.0000000 4.6391494 -------------------------- Born effective charges -------------------------- 1 O -2.7522083 0.0000000 0.5219544 0.0000000 -1.0743469 0.0000000 0.4010503 0.0000000 -2.1463990 2 O -2.7522083 0.0000000 -0.5219544 0.0000000 -1.0743469 0.0000000 -0.4010503 0.0000000 -2.1463990 3 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 0.5219544 0.0000000 0.4010503 -2.1463990 4 O -2.7522083 0.0000000 0.5219544 0.0000000 -1.0743469 0.0000000 0.4010503 0.0000000 -2.1463990 5 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 -0.5219544 0.0000000 -0.4010503 -2.1463990 6 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 0.5219544 0.0000000 0.4010503 -2.1463990 7 O -2.7522083 0.0000000 -0.5219544 0.0000000 -1.0743469 0.0000000 -0.4010503 0.0000000 -2.1463990 8 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 -0.5219544 0.0000000 -0.4010503 -2.1463990 9 Sc 4.1976351 0.0000000 0.0000000 0.0000000 4.1976351 0.0000000 0.0000000 0.0000000 4.0920093 10 Sc 4.1976351 0.0000000 0.0000000 0.0000000 4.1976351 0.0000000 0.0000000 0.0000000 4.0920093 11 As 3.4554753 0.0000000 0.0000000 0.0000000 3.4554753 0.0000000 0.0000000 0.0000000 4.4935865 12 As 3.4554753 0.0000000 0.0000000 0.0000000 3.4554753 0.0000000 0.0000000 0.0000000 4.4935865 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:44:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:44:38]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.360590485000000 3.360590485000000 3.053992340000000 b 3.360590485000000 -3.360590485000000 3.053992340000000 c 3.360590485000000 3.360590485000000 -3.053992340000000 Atomic positions (fractional): 1 O 0.18544861741943 0.99865522440367 0.81320660698424 15.999 2 O 0.18544861741943 0.37224201043520 0.18679339301576 15.999 3 O 0.74865522440367 0.43544861741943 0.31320660698424 15.999 4 O 0.56455138258057 0.25134477559633 0.68679339301576 15.999 5 O 0.12224201043520 0.43544861741943 0.68679339301576 15.999 6 O 0.00134477559633 0.81455138258057 0.18679339301576 15.999 7 O 0.56455138258057 0.87775798956480 0.31320660698424 15.999 8 O 0.62775798956480 0.81455138258057 0.81320660698424 15.999 9 Sc 0.25000000000000 0.75000000000000 0.50000000000000 44.956 10 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 11 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 12 As 0.75000000000000 0.25000000000000 0.50000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.721180970000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.721180970000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.215969360000001 Atomic positions (fractional): 1 O 0.31320660698424 0.50000000000000 0.34272430870972 15.999 > 1 2 O 0.31320660698424 0.50000000000000 0.84272430870972 15.999 > 1 3 O 0.68679339301576 0.50000000000000 0.34272430870972 15.999 > 3 4 O 0.68679339301576 0.50000000000000 0.84272430870972 15.999 > 3 5 O 0.00000000000000 0.31320660698424 0.21772430870972 15.999 > 5 6 O 0.00000000000000 0.31320660698424 0.71772430870972 15.999 > 5 7 O 0.18679339301576 0.50000000000000 0.03227569129028 15.999 > 7 8 O 0.18679339301576 0.50000000000000 0.53227569129028 15.999 > 7 9 O 0.50000000000000 0.18679339301576 0.46772430870972 15.999 > 9 10 O 0.50000000000000 0.18679339301576 0.96772430870972 15.999 > 9 11 O 0.00000000000000 0.18679339301576 0.40727569129028 15.999 > 11 12 O 0.00000000000000 0.18679339301576 0.90727569129028 15.999 > 11 13 O 0.31320660698424 0.00000000000000 0.28227569129028 15.999 > 13 14 O 0.31320660698424 0.00000000000000 0.78227569129028 15.999 > 13 15 O 0.00000000000000 0.81320660698424 0.40727569129028 15.999 > 15 16 O 0.00000000000000 0.81320660698424 0.90727569129028 15.999 > 15 17 O 0.81320660698424 0.00000000000000 0.09272430870972 15.999 > 1 18 O 0.81320660698424 0.00000000000000 0.59272430870972 15.999 > 1 19 O 0.18679339301576 0.00000000000000 0.09272430870972 15.999 > 3 20 O 0.18679339301576 0.00000000000000 0.59272430870972 15.999 > 3 21 O 0.50000000000000 0.81320660698424 0.46772430870972 15.999 > 5 22 O 0.50000000000000 0.81320660698424 0.96772430870972 15.999 > 5 23 O 0.68679339301576 0.00000000000000 0.28227569129028 15.999 > 7 24 O 0.68679339301576 0.00000000000000 0.78227569129028 15.999 > 7 25 O 0.00000000000000 0.68679339301576 0.21772430870972 15.999 > 9 26 O 0.00000000000000 0.68679339301576 0.71772430870972 15.999 > 9 27 O 0.50000000000000 0.68679339301576 0.15727569129028 15.999 > 11 28 O 0.50000000000000 0.68679339301576 0.65727569129028 15.999 > 11 29 O 0.81320660698424 0.50000000000000 0.03227569129028 15.999 > 13 30 O 0.81320660698424 0.50000000000000 0.53227569129028 15.999 > 13 31 O 0.50000000000000 0.31320660698424 0.15727569129028 15.999 > 15 32 O 0.50000000000000 0.31320660698424 0.65727569129028 15.999 > 15 33 Sc 0.00000000000000 0.50000000000000 0.37500000000000 44.956 > 33 34 Sc 0.00000000000000 0.50000000000000 0.87500000000000 44.956 > 33 35 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 35 36 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 35 37 Sc 0.50000000000000 0.00000000000000 0.12500000000000 44.956 > 33 38 Sc 0.50000000000000 0.00000000000000 0.62500000000000 44.956 > 33 39 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 35 40 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 > 35 41 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 41 42 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 41 43 As 0.50000000000000 0.00000000000000 0.37500000000000 74.922 > 43 44 As 0.50000000000000 0.00000000000000 0.87500000000000 74.922 > 43 45 As 0.50000000000000 0.50000000000000 0.25000000000000 74.922 > 41 46 As 0.50000000000000 0.50000000000000 0.75000000000000 74.922 > 41 47 As 0.00000000000000 0.50000000000000 0.12500000000000 74.922 > 43 48 As 0.00000000000000 0.50000000000000 0.62500000000000 74.922 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9524365 0.0000000 0.0000000 0.0000000 3.9524365 0.0000000 0.0000000 0.0000000 4.6391494 -------------------------- Born effective charges -------------------------- 1 O -2.7522083 0.0000000 0.5219544 0.0000000 -1.0743469 0.0000000 0.4010503 0.0000000 -2.1463990 2 O -2.7522083 0.0000000 -0.5219544 0.0000000 -1.0743469 0.0000000 -0.4010503 0.0000000 -2.1463990 3 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 0.5219544 0.0000000 0.4010503 -2.1463990 4 O -2.7522083 0.0000000 0.5219544 0.0000000 -1.0743469 0.0000000 0.4010503 0.0000000 -2.1463990 5 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 -0.5219544 0.0000000 -0.4010503 -2.1463990 6 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 0.5219544 0.0000000 0.4010503 -2.1463990 7 O -2.7522083 0.0000000 -0.5219544 0.0000000 -1.0743469 0.0000000 -0.4010503 0.0000000 -2.1463990 8 O -1.0743469 0.0000000 0.0000000 0.0000000 -2.7522083 -0.5219544 0.0000000 -0.4010503 -2.1463990 9 Sc 4.1976351 0.0000000 0.0000000 0.0000000 4.1976351 0.0000000 0.0000000 0.0000000 4.0920093 10 Sc 4.1976351 0.0000000 0.0000000 0.0000000 4.1976351 0.0000000 0.0000000 0.0000000 4.0920093 11 As 3.4554753 0.0000000 0.0000000 0.0000000 3.4554753 0.0000000 0.0000000 0.0000000 4.4935865 12 As 3.4554753 0.0000000 0.0000000 0.0000000 3.4554753 0.0000000 0.0000000 0.0000000 4.4935865 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.80, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 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 2.628 ( 0.000 0.000 -0.000) 0.000 4.241 ( -0.000 0.000 0.000) 0.000 4.241 ( 0.000 -0.000 -0.000) 0.000 5.041 ( -0.000 0.000 -0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 -0.000 -0.000) 0.000 7.663 ( 0.000 -0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 -0.000) 0.000 8.772 ( 0.000 0.000 -0.000) 0.000 8.772 ( 0.000 0.000 -0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.156 ( -0.000 0.000 -0.000) 0.000 9.525 ( 0.000 0.000 0.000) 0.000 9.525 ( 0.000 -0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 -0.000 -0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 -0.000 0.000) 0.000 15.110 ( 0.000 0.000 0.000) 0.000 22.240 ( 0.000 -0.000 0.000) 0.000 22.240 ( -0.000 -0.000 0.000) 0.000 23.662 ( 0.000 -0.000 0.000) 0.000 23.662 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 -0.000 0.000) 0.000 25.579 ( 0.000 -0.000 0.000) 0.000 25.600 ( 0.000 -0.000 -0.000) 0.000 26.153 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 13.498 36.396) 38.819 0.941 ( 0.000 35.541 30.609) 46.905 1.634 ( 0.000 39.201 72.664) 82.564 2.747 ( 0.000 10.418 5.851) 11.948 4.238 ( -0.000 5.052 -4.957) 7.078 4.239 ( -0.000 5.084 -5.064) 7.175 4.963 ( -0.000 0.507 -10.679) 10.691 5.040 ( -0.000 11.299 -9.464) 14.739 6.170 ( 0.000 3.370 3.019) 4.525 6.238 ( 0.000 0.043 1.966) 1.967 6.269 ( 0.000 -3.493 15.217) 15.613 7.706 ( 0.000 -0.692 5.888) 5.928 7.846 ( -0.000 9.934 -15.900) 18.748 8.128 ( -0.000 7.854 -12.406) 14.683 8.764 ( -0.000 -1.585 0.228) 1.601 8.768 ( -0.000 -0.683 -0.548) 0.876 9.147 ( 0.000 -10.475 8.719) 13.629 9.206 ( 0.000 -1.903 8.485) 8.695 9.409 ( 0.000 -16.510 12.115) 20.478 9.541 ( 0.000 -0.906 3.278) 3.401 10.054 ( -0.000 -4.156 -3.318) 5.318 11.262 ( 0.000 10.223 -2.539) 10.533 12.149 ( -0.000 -12.452 -7.045) 14.307 12.686 ( -0.000 1.659 -6.090) 6.312 12.694 ( -0.000 -2.308 -2.242) 3.218 14.253 ( -0.000 -2.479 -13.181) 13.412 14.393 ( 0.000 -54.584 53.638) 76.527 15.214 ( 0.000 -0.696 12.126) 12.146 22.248 ( 0.000 -0.162 1.186) 1.197 23.158 ( -0.000 73.779 -67.044) 99.690 23.641 ( -0.000 1.725 -4.390) 4.717 23.657 ( -0.000 0.326 -0.971) 1.024 25.439 ( -0.000 -0.088 -10.662) 10.662 25.707 ( 0.000 -0.949 7.051) 7.115 26.091 ( -0.000 1.214 -8.477) 8.563 26.850 ( 0.000 -25.210 29.419) 38.743 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 12.687 34.686) 36.934 1.862 ( 0.000 32.850 30.372) 44.739 3.053 ( 0.000 16.444 9.384) 18.933 3.200 ( 0.000 36.528 67.950) 77.146 4.229 ( -0.000 8.295 -8.054) 11.562 4.236 ( -0.000 9.591 -8.276) 12.668 4.751 ( -0.000 -1.344 -16.277) 16.332 5.102 ( -0.000 22.508 -11.824) 25.425 6.246 ( 0.000 -1.229 3.739) 3.935 6.346 ( 0.000 8.783 5.666) 10.452 6.512 ( 0.000 -6.457 24.985) 25.806 7.640 ( -0.000 -2.018 -17.061) 17.180 7.797 ( 0.000 -0.292 6.593) 6.599 8.091 ( -0.000 9.708 -8.875) 13.153 8.676 ( -0.000 -7.417 -3.161) 8.062 8.722 ( -0.000 -2.979 -2.305) 3.766 9.050 ( -0.000 -22.938 5.953) 23.698 9.310 ( 0.000 -5.471 8.425) 10.046 9.471 ( 0.000 -8.432 20.187) 21.877 9.637 ( 0.000 -0.496 13.148) 13.157 9.912 ( -0.000 -6.220 -5.316) 8.182 11.375 ( -0.000 15.389 -8.269) 17.470 11.798 ( -0.000 -13.874 -13.196) 19.147 12.574 ( -0.000 -5.177 -7.087) 8.777 12.586 ( -0.000 3.021 -11.367) 11.761 13.989 ( -0.000 -4.023 -15.108) 15.634 14.474 ( 0.000 -22.402 26.932) 35.031 15.393 ( 0.000 -1.408 12.686) 12.764 22.268 ( 0.000 -0.342 1.882) 1.913 23.161 ( -0.000 31.095 -27.778) 41.696 23.581 ( -0.000 3.262 -8.100) 8.732 23.644 ( -0.000 0.621 -1.540) 1.661 25.276 ( -0.000 0.082 -10.848) 10.849 25.764 ( 0.000 -3.044 3.721) 4.807 25.970 ( -0.000 2.387 -9.743) 10.031 26.963 ( 0.000 -13.516 20.234) 24.333 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.000 11.539 31.593) 33.634 2.705 ( 0.000 26.634 27.708) 38.433 3.421 ( 0.000 15.986 8.864) 18.279 4.203 ( -0.000 10.144 -6.858) 12.245 4.257 ( -0.000 12.164 -9.286) 15.303 4.469 ( -0.000 -3.389 -15.913) 16.270 4.642 ( 0.000 28.659 59.928) 66.428 5.317 ( 0.000 32.752 -9.258) 34.035 6.279 ( 0.000 -2.220 3.989) 4.565 6.595 ( 0.000 12.638 7.292) 14.591 6.756 ( 0.000 -7.194 15.733) 17.299 7.404 ( -0.000 2.631 -9.315) 9.680 7.884 ( 0.000 0.795 4.392) 4.463 8.101 ( -0.000 7.461 -5.943) 9.538 8.494 ( -0.000 -15.111 -1.866) 15.226 8.632 ( -0.000 -4.640 -2.267) 5.165 8.755 ( -0.000 -26.709 3.238) 26.904 9.246 ( -0.000 -11.534 -1.091) 11.586 9.679 ( 0.000 -8.618 19.409) 21.236 9.756 ( -0.000 -4.416 -3.477) 5.621 9.929 ( 0.000 0.034 22.886) 22.886 11.191 ( -0.000 -6.111 -24.265) 25.023 11.629 ( -0.000 7.796 -4.349) 8.927 12.369 ( -0.000 -5.971 -8.329) 10.248 12.435 ( -0.000 3.712 -14.830) 15.288 13.716 ( -0.000 -5.006 -12.973) 13.905 14.579 ( 0.000 -10.919 17.114) 20.301 15.535 ( 0.000 -1.753 9.128) 9.295 22.292 ( 0.000 -0.472 1.869) 1.928 23.174 ( -0.000 14.894 -12.300) 19.316 23.493 ( -0.000 4.335 -10.314) 11.188 23.630 ( -0.000 0.783 -1.528) 1.717 25.126 ( -0.000 0.229 -9.378) 9.381 25.730 ( -0.000 -3.327 -1.574) 3.681 25.891 ( -0.000 1.624 -4.854) 5.119 27.073 ( 0.000 -8.624 14.411) 16.794 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 0.000 9.957 27.022) 28.798 3.368 ( 0.000 16.944 20.404) 26.522 3.700 ( 0.000 10.391 3.457) 10.951 4.109 ( -0.000 -4.661 -16.402) 17.051 4.220 ( -0.000 6.452 -4.821) 8.054 4.383 ( 0.000 10.941 -3.527) 11.496 5.598 ( 0.000 16.473 11.507) 20.094 5.853 ( 0.000 35.010 28.451) 45.113 6.304 ( 0.000 -2.084 3.234) 3.848 6.772 ( -0.000 9.476 -7.275) 11.946 6.879 ( 0.000 12.666 6.948) 14.446 7.495 ( 0.000 -0.912 12.623) 12.656 7.942 ( 0.000 0.851 1.541) 1.760 8.113 ( -0.000 3.657 -3.326) 4.944 8.144 ( -0.000 -28.708 -0.857) 28.721 8.549 ( -0.000 -3.663 -0.410) 3.686 8.561 ( 0.000 -11.064 5.631) 12.415 9.007 ( -0.000 -13.676 -6.174) 15.005 9.678 ( -0.000 -1.974 -1.429) 2.437 9.693 ( -0.000 -16.183 0.968) 16.212 10.274 ( 0.000 -0.427 21.863) 21.867 10.786 ( -0.000 -4.207 -14.977) 15.557 11.616 ( -0.000 3.311 -9.971) 10.506 12.249 ( -0.000 1.032 -1.526) 1.842 12.259 ( -0.000 3.307 -14.532) 14.903 13.478 ( -0.000 -5.082 -9.474) 10.751 14.678 ( 0.000 -5.020 10.342) 11.496 15.616 ( 0.000 -1.544 4.875) 5.114 22.309 ( 0.000 -0.432 1.291) 1.361 23.196 ( -0.000 5.609 -3.519) 6.622 23.401 ( -0.000 4.602 -9.882) 10.901 23.621 ( -0.000 0.673 -1.051) 1.248 25.011 ( -0.000 0.228 -6.353) 6.358 25.668 ( -0.000 -1.254 -1.909) 2.284 25.845 ( -0.000 -0.500 -2.627) 2.674 27.153 ( 0.000 -4.984 8.647) 9.981 ======================= Grid point 5 (6/126) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.000 6.465 17.733) 18.875 3.735 ( -0.000 -0.799 -12.008) 12.035 3.739 ( 0.000 5.835 7.796) 9.737 3.876 ( -0.000 -1.037 -1.470) 1.799 4.232 ( -0.000 2.153 -1.480) 2.612 4.479 ( 0.000 5.221 -0.406) 5.236 5.798 ( 0.000 3.810 0.054) 3.811 6.317 ( 0.000 -0.877 1.271) 1.544 6.590 ( 0.000 25.723 13.513) 29.057 6.937 ( 0.000 14.348 0.582) 14.359 7.100 ( 0.000 6.251 3.424) 7.127 7.382 ( -0.000 -23.978 -5.380) 24.574 7.942 ( 0.000 -9.219 9.881) 13.514 7.949 ( -0.000 -0.420 -0.340) 0.540 8.171 ( 0.000 5.678 0.542) 5.704 8.545 ( 0.000 1.080 2.185) 2.437 8.596 ( 0.000 -0.096 8.546) 8.547 8.754 ( -0.000 -8.569 -5.191) 10.019 9.316 ( -0.000 -14.537 -14.334) 20.416 9.649 ( -0.000 -0.606 -0.346) 0.698 10.516 ( 0.000 -0.357 9.573) 9.580 10.657 ( -0.000 -0.063 -1.892) 1.893 11.489 ( -0.000 -0.923 -5.529) 5.605 12.122 ( -0.000 1.419 -6.801) 6.948 12.297 ( 0.000 2.863 1.049) 3.049 13.318 ( -0.000 -2.575 -3.863) 4.642 14.740 ( 0.000 -1.426 3.574) 3.848 15.646 ( 0.000 -0.640 1.417) 1.554 22.318 ( 0.000 -0.177 0.449) 0.482 23.216 ( 0.000 0.600 0.350) 0.694 23.336 ( -0.000 2.623 -4.881) 5.541 23.617 ( -0.000 0.268 -0.365) 0.452 24.948 ( -0.000 0.091 -2.251) 2.253 25.643 ( -0.000 -0.059 -0.441) 0.445 25.806 ( -0.000 -0.664 -1.157) 1.334 27.194 ( 0.000 -1.645 2.874) 3.312 ======================= Grid point 12 (7/126) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 12.794 12.794 35.516) 39.860 1.576 ( 21.006 21.006 33.083) 44.463 2.909 ( 13.095 13.095 50.284) 53.586 2.956 ( 13.709 13.709 37.787) 42.471 4.158 ( 3.919 3.919 -8.615) 10.244 4.183 ( 5.742 5.742 -7.564) 11.098 4.847 ( 5.105 5.105 -14.249) 15.973 4.860 ( 6.331 6.331 -13.768) 16.423 6.268 ( 4.752 4.752 5.597) 8.746 6.273 ( -0.674 -0.674 3.527) 3.654 6.556 ( -3.631 -3.631 25.178) 25.696 7.611 ( -5.730 -5.730 -9.239) 12.289 7.882 ( 4.374 4.374 -0.667) 6.222 7.973 ( 7.407 7.407 -9.661) 14.250 8.725 ( -2.902 -2.902 -2.552) 4.833 8.741 ( -1.513 -1.513 -2.179) 3.054 9.277 ( -7.566 -7.566 7.738) 13.205 9.280 ( -7.262 -7.262 9.087) 13.713 9.553 ( -5.525 -5.525 17.125) 18.823 9.621 ( -1.632 -1.632 13.443) 13.640 9.954 ( -3.829 -3.829 -6.227) 8.252 11.264 ( 10.198 10.198 -7.453) 16.235 11.909 ( -9.465 -9.465 -14.102) 19.443 12.539 ( -0.327 -0.327 -11.142) 11.152 12.618 ( 2.278 2.278 -10.422) 10.908 14.015 ( -2.062 -2.062 -15.500) 15.772 14.695 ( -21.840 -21.840 24.402) 39.362 15.394 ( -1.365 -1.365 12.527) 12.675 22.269 ( -0.271 -0.271 1.787) 1.828 22.859 ( 31.297 31.297 -26.096) 51.381 23.545 ( -5.680 -5.680 -2.355) 8.371 23.687 ( 3.717 3.717 -1.293) 5.414 25.277 ( 0.367 0.367 -11.103) 11.115 25.792 ( 0.068 0.068 3.978) 3.979 25.944 ( 1.259 1.259 -11.268) 11.408 27.066 ( -11.243 -11.243 18.215) 24.178 ======================= Grid point 13 (8/126) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 15.395 8.990 33.165) 37.653 2.400 ( 10.144 27.148 30.540) 42.102 3.264 ( 5.737 12.221 12.612) 18.475 4.093 ( 3.612 6.598 -4.403) 8.716 4.153 ( 6.834 12.129 -0.858) 13.948 4.338 ( 7.559 19.961 56.524) 60.420 4.616 ( 14.204 -2.384 -11.674) 18.540 4.914 ( -1.674 24.746 -11.157) 27.196 6.312 ( 0.069 -2.204 4.424) 4.943 6.468 ( 4.146 9.818 7.198) 12.861 6.823 ( -4.019 -6.525 12.672) 14.809 7.375 ( -0.423 1.018 -8.842) 8.911 7.900 ( 3.249 0.337 1.083) 3.441 8.007 ( 2.177 7.992 -4.172) 9.274 8.614 ( -3.027 -7.206 -2.488) 8.202 8.673 ( -1.733 -3.021 -2.633) 4.366 9.096 ( -2.501 -23.737 2.366) 23.985 9.289 ( -12.921 -7.005 1.263) 14.752 9.765 ( -4.005 -7.217 5.549) 9.946 9.793 ( -3.233 -5.396 10.837) 12.530 9.913 ( -1.867 -0.036 22.254) 22.332 11.204 ( 3.968 5.474 -22.132) 23.141 11.611 ( -0.453 -2.409 -7.333) 7.732 12.357 ( -1.955 1.089 -13.589) 13.772 12.454 ( 3.162 0.632 -13.492) 13.872 13.758 ( -2.091 -3.538 -13.461) 14.075 14.739 ( -6.687 -15.674 17.011) 24.078 15.533 ( -2.534 -1.397 8.380) 8.865 22.292 ( -0.603 -0.309 1.712) 1.841 22.942 ( 14.403 26.220 -17.335) 34.575 23.428 ( -9.781 -6.702 -1.734) 11.983 23.714 ( 8.401 2.853 -0.959) 8.924 25.128 ( 0.798 0.575 -9.501) 9.552 25.782 ( 2.412 -1.693 -5.556) 6.289 25.851 ( -1.120 2.752 -2.881) 4.139 27.157 ( -7.485 -10.901 14.438) 19.578 ======================= Grid point 14 (9/126) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 13.341 7.814 28.598) 32.510 3.149 ( 5.440 20.671 24.486) 32.503 3.588 ( 2.841 9.328 9.757) 13.795 4.100 ( -0.425 5.847 -3.501) 6.828 4.222 ( 10.484 6.019 -6.477) 13.715 4.371 ( 13.844 1.450 -8.731) 16.432 5.175 ( -1.689 36.785 -7.885) 37.658 5.579 ( 6.622 17.262 57.345) 60.251 6.340 ( 0.001 -2.998 4.070) 5.055 6.670 ( -0.165 4.871 -19.644) 20.240 6.736 ( 3.990 12.320 6.407) 14.448 7.508 ( -1.490 -2.292 19.075) 19.270 7.924 ( -0.552 1.324 0.441) 1.500 8.038 ( 2.600 5.889 -4.387) 7.790 8.461 ( -1.723 -14.210 -0.185) 14.316 8.583 ( -2.315 -4.409 -2.630) 5.632 8.780 ( -1.743 -22.470 1.296) 22.575 9.125 ( -9.505 -12.050 -5.292) 16.234 9.632 ( -8.772 -3.083 -4.814) 10.470 9.902 ( -1.079 -13.571 7.996) 15.789 10.256 ( -3.322 -0.402 21.496) 21.754 10.820 ( -1.458 -2.795 -22.067) 22.291 11.594 ( 6.536 6.821 -6.048) 11.217 12.191 ( -1.649 2.389 -10.628) 11.018 12.277 ( 3.453 1.314 -9.894) 10.562 13.527 ( -2.162 -4.439 -10.148) 11.286 14.781 ( -1.257 -9.894 11.618) 15.312 15.604 ( -3.506 -0.850 3.286) 4.880 22.310 ( -0.628 -0.268 1.149) 1.337 23.024 ( 8.038 21.101 -15.281) 27.265 23.331 ( -11.966 -7.766 2.706) 14.520 23.738 ( 12.225 1.865 -0.091) 12.367 25.017 ( 1.562 0.643 -6.249) 6.473 25.685 ( 1.305 0.091 -5.005) 5.173 25.840 ( -0.525 0.434 -2.028) 2.139 27.203 ( -6.681 -9.028 9.731) 14.861 ======================= Grid point 15 (10/126) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 9.501 5.887 19.854) 22.784 3.624 ( -0.686 7.739 11.130) 13.574 3.792 ( 7.000 5.440 5.169) 10.262 4.033 ( 15.124 -6.774 -6.818) 17.920 4.142 ( -3.503 2.893 0.052) 4.543 4.478 ( 12.235 9.542 3.155) 15.833 5.580 ( 1.228 31.926 -5.063) 32.349 6.305 ( 4.127 14.087 5.800) 15.783 6.343 ( -0.251 -2.838 1.329) 3.144 6.733 ( 2.418 17.823 17.442) 25.055 6.999 ( 2.810 10.059 6.149) 12.120 7.635 ( -2.288 -12.395 4.311) 13.322 7.948 ( -1.468 0.679 -1.750) 2.383 8.026 ( 2.914 3.085 -6.068) 7.405 8.214 ( -4.321 -21.313 9.317) 23.658 8.528 ( -1.881 -1.032 0.940) 2.343 8.626 ( -1.849 -5.957 2.960) 6.904 8.861 ( -4.612 -10.322 -7.290) 13.452 9.461 ( -10.499 -12.192 -14.184) 21.449 9.660 ( -1.004 -6.848 -7.307) 10.064 10.486 ( -4.876 -0.261 8.366) 9.687 10.628 ( -2.182 1.090 -4.398) 5.029 11.544 ( 7.436 1.431 -6.248) 9.817 12.107 ( 1.071 1.967 -4.089) 4.662 12.259 ( 2.340 4.791 0.782) 5.389 13.348 ( -2.266 -3.920 -5.663) 7.250 14.804 ( 1.099 -6.232 5.688) 8.508 15.616 ( -4.297 0.377 -0.907) 4.408 22.318 ( -0.275 -0.130 0.318) 0.440 23.047 ( -0.213 15.904 -14.890) 21.787 23.319 ( -8.007 -7.155 9.192) 14.135 23.762 ( 14.798 0.406 1.303) 14.861 24.962 ( 2.466 0.457 -2.104) 3.274 25.641 ( 0.587 0.989 -2.052) 2.352 25.807 ( -0.465 -0.164 -2.191) 2.246 27.203 ( -6.710 -6.514 4.423) 10.344 ======================= Grid point 16 (11/126) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 6.244 -3.042 -9.004) 11.371 3.746 ( -0.460 -2.239 6.374) 6.771 3.894 ( 18.268 -0.233 5.833) 19.178 3.970 ( 8.869 -3.853 4.496) 10.664 4.179 ( -6.702 0.033 2.723) 7.234 4.611 ( 12.049 0.615 4.105) 12.744 5.768 ( 5.549 13.004 -8.351) 16.420 6.318 ( -0.854 -1.573 -0.520) 1.864 6.632 ( 1.407 28.303 -4.824) 28.745 7.086 ( -5.406 -9.012 -0.634) 10.529 7.117 ( 2.829 -6.458 14.494) 16.118 7.357 ( 6.302 -11.498 -3.220) 13.501 7.832 ( -2.969 1.463 -12.874) 13.293 7.983 ( 4.271 0.864 -3.180) 5.394 8.214 ( -7.286 -7.344 7.113) 12.555 8.498 ( -8.422 0.502 -2.020) 8.676 8.629 ( 0.053 -4.706 -6.866) 8.324 8.707 ( 2.253 0.048 -2.361) 3.264 9.143 ( -5.597 3.865 1.372) 6.939 9.592 ( -6.532 1.229 -1.611) 6.839 10.475 ( -4.947 0.489 -9.497) 10.719 10.618 ( -2.516 2.398 -1.213) 3.682 11.528 ( 7.360 1.389 3.305) 8.187 12.148 ( 1.514 -0.924 8.374) 8.560 12.330 ( 2.354 0.601 1.225) 2.721 13.282 ( -2.499 0.157 1.230) 2.790 14.771 ( 1.941 -3.887 -1.093) 4.480 15.596 ( -4.642 1.968 -3.762) 6.291 22.315 ( 0.019 0.056 -0.599) 0.602 23.041 ( -6.104 12.568 -11.028) 17.800 23.388 ( -3.862 -7.695 12.950) 15.551 23.787 ( 16.219 -1.686 3.252) 16.627 24.967 ( 2.801 0.101 2.179) 3.550 25.639 ( 0.370 0.981 -0.428) 1.133 25.789 ( -0.536 1.164 -0.618) 1.423 27.159 ( -6.960 -3.566 -1.183) 7.910 ======================= Grid point 17 (12/126) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 11.800 -9.810 -22.005) 26.827 3.605 ( 4.045 -13.802 -10.786) 17.977 3.875 ( 3.563 -11.445 1.920) 12.140 4.154 ( 13.849 2.562 16.691) 21.839 4.247 ( -1.553 -1.260 8.332) 8.569 4.609 ( 10.697 -8.886 3.940) 14.454 5.707 ( 4.354 1.763 -17.979) 18.583 6.283 ( -0.804 -0.874 -2.652) 2.906 6.380 ( 1.519 -34.949 -10.820) 36.617 6.882 ( -4.923 -8.780 -10.736) 14.717 7.064 ( 3.122 -10.242 -3.680) 11.322 7.491 ( 2.851 4.617 5.882) 8.002 7.677 ( -1.739 26.118 -14.691) 30.017 7.953 ( 0.406 -0.342 -1.964) 2.035 8.211 ( -2.126 -5.547 6.175) 8.569 8.436 ( -1.607 2.451 -9.096) 9.557 8.507 ( -1.099 4.109 -2.049) 4.721 8.792 ( -4.917 10.838 3.017) 12.278 9.425 ( -6.685 13.912 4.969) 16.215 9.616 ( -4.549 4.909 -1.008) 6.768 10.247 ( -3.108 0.256 -20.491) 20.727 10.695 ( -3.120 6.060 6.829) 9.648 11.679 ( 7.232 1.764 12.203) 14.294 12.275 ( -0.107 -4.555 4.580) 6.461 12.322 ( 2.177 -2.463 8.776) 9.372 13.391 ( -2.601 4.926 7.916) 9.680 14.667 ( 1.709 -1.797 -7.608) 8.002 15.555 ( -4.373 3.069 -6.524) 8.432 22.302 ( -0.036 0.240 -1.350) 1.372 23.066 ( -7.510 11.178 -7.122) 15.234 23.488 ( -1.729 -9.907 16.360) 19.204 23.813 ( 16.211 -4.768 5.988) 17.927 25.028 ( 2.263 -0.191 6.051) 6.463 25.653 ( 0.786 1.650 0.206) 1.839 25.823 ( -0.564 2.306 1.612) 2.870 27.071 ( -7.274 -0.347 -7.080) 10.156 ======================= Grid point 18 (13/126) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 17.234 -13.346 -25.189) 33.311 3.107 ( 8.334 -23.939 -20.297) 32.473 3.678 ( 3.976 -17.126 -2.589) 17.771 4.298 ( -1.660 -6.227 10.427) 12.257 4.491 ( 12.496 -5.071 18.660) 23.023 4.533 ( 9.721 -6.027 6.331) 13.073 5.059 ( 5.772 -24.707 -47.707) 54.034 5.794 ( -0.794 -38.488 5.356) 38.867 6.248 ( -0.830 1.846 -3.990) 4.474 6.631 ( -4.765 5.448 -20.380) 21.627 6.805 ( 3.872 -13.243 -7.722) 15.812 7.445 ( -0.850 -4.260 4.473) 6.236 7.902 ( 1.100 0.268 -3.729) 3.897 8.128 ( -0.449 31.397 0.718) 31.409 8.229 ( 1.725 -4.186 6.721) 8.104 8.453 ( -2.920 14.337 -4.384) 15.274 8.561 ( -0.362 5.941 0.210) 5.955 9.009 ( -9.364 12.918 1.862) 16.063 9.534 ( -3.613 9.414 -12.104) 15.754 9.653 ( -5.994 5.141 -1.691) 8.076 9.918 ( -1.516 -0.452 -21.775) 21.833 11.030 ( -3.375 13.038 18.941) 23.241 11.819 ( 7.979 -9.746 9.152) 15.569 12.273 ( -0.721 5.123 2.159) 5.606 12.485 ( -0.601 -3.310 13.865) 14.267 13.620 ( -2.530 6.556 11.696) 13.645 14.502 ( 0.748 0.571 -13.223) 13.256 15.477 ( -3.725 3.213 -9.949) 11.098 22.283 ( -0.162 0.338 -1.737) 1.777 23.130 ( -7.206 9.616 -3.227) 12.442 23.604 ( 1.763 -10.430 17.431) 20.389 23.839 ( 13.639 -10.262 11.433) 20.543 25.138 ( 1.444 -0.238 8.996) 9.115 25.693 ( 1.811 3.979 -0.326) 4.384 25.888 ( -0.756 1.314 3.900) 4.184 26.937 ( -7.790 3.136 -13.432) 15.841 ======================= Grid point 19 (14/126) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 24.035 -16.567 -24.407) 38.051 2.394 ( 12.310 -31.877 -23.472) 41.456 3.353 ( 6.467 -20.461 -5.558) 22.167 3.801 ( 7.536 -41.075 -54.549) 68.699 4.354 ( 1.431 -8.852 10.104) 13.509 4.441 ( 6.643 -12.761 6.902) 15.956 4.820 ( 12.340 0.765 18.304) 22.088 5.451 ( -0.750 -29.764 9.646) 31.297 6.221 ( -0.682 2.471 -3.630) 4.444 6.383 ( -3.844 8.086 -24.305) 25.902 6.516 ( 3.494 -12.049 -7.246) 14.487 7.532 ( -8.737 1.091 6.127) 10.727 7.877 ( 7.989 1.858 0.674) 8.230 8.215 ( 3.040 -6.375 6.663) 9.710 8.509 ( -2.703 15.546 2.901) 16.044 8.660 ( -1.771 4.666 2.770) 5.708 8.688 ( -1.500 26.884 -3.866) 27.202 9.137 ( -11.101 8.406 -5.232) 14.876 9.356 ( -1.681 6.892 -22.397) 23.494 9.610 ( -2.704 -0.205 -13.887) 14.149 9.784 ( -4.868 7.512 2.899) 9.409 11.516 ( -2.331 11.003 20.683) 23.544 11.709 ( 5.925 -12.634 1.016) 13.991 12.441 ( -1.119 10.919 1.769) 11.118 12.620 ( -2.315 -2.894 9.643) 10.331 13.900 ( -2.236 6.770 13.192) 14.995 14.289 ( -0.807 2.615 -18.435) 18.638 15.345 ( -2.922 2.633 -12.820) 13.410 22.262 ( -0.133 0.309 -1.660) 1.694 23.234 ( -7.154 8.255 1.060) 10.975 23.708 ( 8.537 -4.796 9.370) 13.553 23.901 ( 9.030 -22.604 28.575) 37.537 25.283 ( 1.007 0.045 10.353) 10.402 25.726 ( 2.559 4.961 -4.204) 6.988 25.981 ( -0.772 0.371 7.197) 7.248 26.753 ( -9.059 7.061 -20.726) 23.696 ======================= Grid point 20 (15/126) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 35.194 -20.437 -14.552) 43.221 1.593 ( 19.972 -35.834 -20.619) 45.915 2.381 ( 12.679 -50.829 -49.876) 72.332 3.009 ( 9.021 -18.067 -4.492) 20.687 4.358 ( 3.914 -8.574 6.054) 11.202 4.377 ( 5.395 -9.257 4.272) 11.535 5.050 ( 10.901 -1.278 11.930) 16.211 5.256 ( 0.364 -20.231 8.540) 21.962 6.171 ( -4.154 6.578 -14.908) 16.816 6.210 ( 0.855 1.812 -2.830) 3.467 6.289 ( 2.233 -7.920 -4.225) 9.250 7.575 ( -10.407 2.827 -2.839) 11.152 8.030 ( 10.767 0.968 17.667) 20.712 8.242 ( 1.361 -6.306 8.277) 10.494 8.708 ( -1.136 6.702 1.019) 6.874 8.741 ( -2.094 1.957 1.363) 3.174 8.930 ( -1.396 19.647 -7.721) 21.156 9.097 ( -9.782 4.190 -9.148) 14.033 9.163 ( -3.779 13.212 -17.971) 22.623 9.483 ( -4.706 0.831 -4.173) 6.344 9.942 ( -4.562 7.653 2.810) 9.342 11.493 ( 7.878 -14.329 -0.301) 16.355 11.965 ( -4.536 9.512 15.424) 18.680 12.547 ( -3.050 13.872 -11.653) 18.372 12.690 ( -3.963 -2.454 4.891) 6.757 13.985 ( -0.581 3.806 -25.429) 25.719 14.196 ( -2.864 3.551 12.228) 13.051 15.183 ( -2.010 1.703 -11.811) 12.101 22.244 ( -0.060 0.208 -1.049) 1.071 23.383 ( -8.424 8.747 3.080) 12.528 23.738 ( 8.396 -1.944 1.389) 8.729 24.150 ( 14.541 -31.082 56.856) 66.409 25.440 ( 1.135 0.715 9.864) 9.955 25.692 ( 2.596 3.594 -7.974) 9.123 26.095 ( -0.587 1.092 5.279) 5.423 26.496 ( -12.056 10.405 -30.895) 34.758 ======================= Grid point 21 (16/126) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 32.480 -32.480 -0.000) 45.933 0.938 ( 34.413 -34.413 -0.000) 48.668 1.134 ( 41.553 -41.553 -0.000) 58.764 2.775 ( 10.439 -10.439 -0.000) 14.763 4.309 ( 4.888 -4.888 -0.000) 6.912 4.313 ( 5.103 -5.103 -0.000) 7.217 5.115 ( 5.485 -5.485 -0.000) 7.757 5.125 ( 6.162 -6.162 -0.000) 8.715 6.125 ( -3.841 3.841 0.000) 5.432 6.173 ( 3.472 -3.472 -0.000) 4.910 6.218 ( -0.602 0.602 0.000) 0.851 7.592 ( -4.792 4.792 0.000) 6.777 8.234 ( 3.062 -3.062 -0.000) 4.331 8.484 ( 0.204 -0.204 -0.000) 0.289 8.534 ( -2.844 2.844 0.000) 4.022 8.780 ( 0.344 -0.344 -0.000) 0.487 9.060 ( -6.987 6.987 0.000) 9.882 9.087 ( -5.060 5.060 0.000) 7.156 9.128 ( -6.204 6.204 0.000) 8.774 9.479 ( -3.021 3.021 0.000) 4.273 10.048 ( -4.390 4.390 0.000) 6.208 11.324 ( 8.082 -8.082 -0.000) 11.429 12.169 ( 0.652 -0.652 -0.000) 0.922 12.538 ( -11.856 11.856 0.000) 16.767 12.713 ( -0.560 0.560 0.000) 0.792 13.649 ( 7.926 -7.926 -0.000) 11.209 14.352 ( -2.521 2.521 0.000) 3.565 15.096 ( -1.043 1.043 0.000) 1.475 22.238 ( -0.106 0.106 0.000) 0.151 23.531 ( -8.487 8.487 0.000) 12.003 23.710 ( 3.528 -3.528 -0.000) 4.990 24.673 ( 7.720 -7.720 -0.000) 10.918 25.579 ( 0.038 -0.038 -0.000) 0.054 25.607 ( 0.432 -0.432 -0.000) 0.611 26.063 ( -5.296 5.296 0.000) 7.490 26.220 ( -0.034 0.034 0.000) 0.048 ======================= Grid point 24 (17/126) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 10.379 10.379 29.678) 33.109 3.008 ( 17.707 17.707 24.259) 34.865 3.538 ( 6.049 6.049 12.017) 14.751 4.062 ( 3.605 3.605 -2.443) 5.654 4.233 ( 11.705 11.705 -1.216) 16.597 4.660 ( 11.702 11.702 -8.497) 18.603 4.721 ( 13.010 13.010 -11.861) 21.891 5.503 ( 13.731 13.731 61.534) 64.525 6.366 ( -2.092 -2.092 4.503) 5.388 6.640 ( 1.795 1.795 -25.537) 25.662 6.671 ( 9.031 9.031 7.670) 14.898 7.514 ( -2.670 -2.670 20.918) 21.256 7.906 ( -0.175 -0.175 -1.728) 1.746 8.019 ( 5.026 5.026 -2.279) 7.464 8.532 ( -5.020 -5.020 -0.168) 7.101 8.598 ( -3.114 -3.114 -3.439) 5.588 9.026 ( -15.198 -15.198 -3.364) 21.755 9.060 ( -12.366 -12.366 -0.349) 17.491 9.582 ( -6.471 -6.471 -7.884) 12.080 9.999 ( -8.508 -8.508 12.002) 16.995 10.223 ( -2.032 -2.032 20.509) 20.709 10.829 ( -1.734 -1.734 -24.868) 24.989 11.595 ( 7.961 7.961 -4.531) 12.136 12.160 ( 0.756 0.756 -10.579) 10.633 12.294 ( 2.780 2.780 -11.773) 12.412 13.542 ( -3.582 -3.582 -10.261) 11.444 14.853 ( -7.091 -7.091 11.699) 15.408 15.577 ( -2.726 -2.726 2.578) 4.637 22.305 ( -0.443 -0.443 1.170) 1.327 22.928 ( 16.342 16.342 -15.426) 27.786 23.302 ( -9.053 -9.053 3.445) 13.258 23.814 ( 6.887 6.887 0.347) 9.746 25.025 ( 1.643 1.643 -6.184) 6.606 25.695 ( 1.745 1.745 -7.306) 7.711 25.831 ( -0.357 -0.357 -0.811) 0.956 27.218 ( -10.070 -10.070 10.159) 17.494 ======================= Grid point 25 (18/126) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 12.170 3.934 21.045) 24.627 3.506 ( 4.532 12.754 11.895) 18.020 3.765 ( 0.811 3.690 10.311) 10.981 4.117 ( 2.244 1.415 4.311) 5.062 4.381 ( 21.938 3.376 -0.181) 22.197 4.566 ( 24.215 5.071 -0.795) 24.753 5.054 ( -1.641 40.682 -4.309) 40.943 6.284 ( 10.622 7.822 -19.203) 23.297 6.381 ( -1.467 -3.994 3.654) 5.609 6.547 ( 5.642 15.973 39.707) 43.170 6.922 ( 7.606 11.000 7.031) 15.109 7.710 ( -5.342 -8.243 11.156) 14.864 7.878 ( -3.856 0.916 -1.939) 4.412 8.048 ( 5.368 3.752 -1.938) 6.830 8.429 ( -4.728 -14.248 -3.508) 15.416 8.522 ( -3.138 -2.719 3.794) 5.625 8.707 ( -8.851 -15.884 -3.687) 18.553 8.892 ( -9.200 -8.291 -5.587) 13.586 9.392 ( -11.158 -5.285 -7.733) 14.568 9.784 ( -6.811 -14.089 -16.973) 23.086 10.414 ( -5.472 -1.210 6.697) 8.732 10.594 ( -2.143 -0.811 -4.398) 4.959 11.614 ( 9.538 6.279 -6.605) 13.192 12.097 ( 1.483 2.063 -0.351) 2.565 12.236 ( 4.141 4.993 -1.691) 6.703 13.362 ( -3.785 -4.299 -6.412) 8.598 14.902 ( -1.142 -6.380 7.066) 9.588 15.547 ( -5.016 -1.067 -2.771) 5.829 22.316 ( -0.155 -0.098 0.759) 0.781 22.880 ( 3.545 10.461 -14.764) 18.439 23.313 ( -3.204 -3.036 8.350) 9.445 23.908 ( 10.175 4.253 2.194) 11.244 24.990 ( 3.760 2.227 -2.135) 4.863 25.634 ( 1.456 1.885 -3.976) 4.635 25.802 ( -0.785 -0.523 -2.102) 2.303 27.196 ( -10.589 -10.160 5.515) 15.678 ======================= Grid point 26 (19/126) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 10.598 -1.942 -0.204) 10.776 3.738 ( -1.405 3.398 8.093) 8.889 3.967 ( -2.226 2.122 11.110) 11.527 4.171 ( 1.057 -4.626 3.955) 6.178 4.363 ( 37.061 -2.559 4.596) 37.432 4.747 ( 15.529 6.963 6.370) 18.172 5.548 ( 4.843 33.134 -4.355) 33.768 6.203 ( 4.682 25.813 -14.644) 30.044 6.363 ( -1.417 -1.864 0.687) 2.440 7.119 ( 4.470 5.872 2.355) 7.746 7.201 ( 5.437 0.715 22.471) 23.130 7.593 ( -2.682 -15.950 -3.262) 16.500 7.824 ( -1.691 -1.941 -6.343) 6.846 8.039 ( 3.902 -1.658 -3.168) 5.292 8.203 ( -9.245 -8.758 3.044) 13.093 8.387 ( -14.115 -8.465 -7.474) 18.076 8.676 ( 0.258 -1.744 -3.935) 4.312 8.734 ( -0.665 -0.025 2.573) 2.657 9.098 ( -7.151 -10.246 -12.736) 17.842 9.460 ( -11.487 -0.907 -7.197) 13.585 10.386 ( -6.327 0.192 -8.404) 10.521 10.554 ( -2.704 1.008 -3.133) 4.259 11.615 ( 9.148 3.557 0.063) 9.816 12.185 ( 2.433 -0.294 9.746) 10.049 12.341 ( 4.194 4.246 4.174) 7.283 13.251 ( -4.398 -2.671 -1.251) 5.295 14.880 ( 2.664 -6.390 1.240) 7.033 15.483 ( -7.233 1.823 -6.045) 9.601 22.322 ( 0.766 -0.212 0.075) 0.798 22.812 ( -4.991 8.469 -10.598) 14.455 23.433 ( 1.612 -0.920 10.573) 10.734 23.996 ( 12.338 0.936 4.994) 13.343 25.015 ( 5.830 1.954 1.358) 6.297 25.625 ( 0.763 2.162 -1.259) 2.616 25.766 ( -1.132 0.189 -1.804) 2.139 27.112 ( -11.646 -8.673 0.419) 14.526 ======================= Grid point 27 (20/126) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 15.232 -8.425 -12.086) 21.191 3.814 ( 3.700 -6.573 1.517) 7.693 4.076 ( 3.572 -9.812 3.384) 10.977 4.163 ( -5.609 -0.112 8.446) 10.140 4.501 ( 34.705 0.355 15.027) 37.821 4.864 ( 14.001 -3.040 5.036) 15.187 5.692 ( 8.141 12.733 -14.801) 21.153 6.281 ( -1.829 -1.404 -2.103) 3.121 6.580 ( 0.396 24.176 -4.066) 24.518 6.945 ( -3.929 -20.711 -11.046) 23.799 7.176 ( -2.342 -6.407 -11.507) 13.378 7.377 ( 4.297 1.075 -6.332) 7.727 7.680 ( 3.356 -9.263 -2.503) 10.166 7.963 ( -1.785 -3.134 -2.132) 4.190 8.193 ( -2.397 0.055 0.843) 2.542 8.321 ( -13.979 6.118 0.348) 15.263 8.469 ( -0.493 -1.903 -9.313) 9.518 8.697 ( 1.719 -2.721 -3.306) 4.614 9.153 ( -7.898 10.843 7.363) 15.302 9.433 ( -11.499 5.410 -2.616) 12.974 10.195 ( -3.648 0.158 -16.920) 17.310 10.555 ( -4.140 6.297 -0.751) 7.573 11.747 ( 8.377 4.221 10.474) 14.061 12.347 ( 0.911 -3.261 13.742) 14.153 12.398 ( 4.506 -3.153 1.759) 5.774 13.282 ( -5.293 2.896 5.493) 8.159 14.764 ( 3.937 -6.361 -4.962) 8.977 15.421 ( -7.704 4.209 -7.867) 11.788 22.310 ( 1.195 -0.499 -0.881) 1.566 22.807 ( -8.564 9.324 -6.228) 14.109 23.591 ( 4.828 -1.645 12.853) 13.827 24.081 ( 13.509 -3.405 8.568) 16.355 25.078 ( 5.722 0.926 4.420) 7.289 25.642 ( 1.011 1.937 -0.383) 2.218 25.772 ( -1.402 2.757 0.186) 3.098 26.976 ( -12.722 -6.207 -5.142) 15.060 ======================= Grid point 28 (21/126) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 23.764 -13.619 -14.405) 30.947 3.550 ( 12.458 -19.059 -11.757) 25.625 3.958 ( 3.805 -14.741 2.995) 15.516 4.323 ( -1.984 -0.879 12.333) 12.522 4.765 ( 27.291 1.039 15.838) 31.571 4.826 ( 11.654 -11.827 6.207) 17.727 5.411 ( 8.898 -10.915 -30.246) 33.363 6.200 ( -4.578 -1.069 -5.908) 7.550 6.323 ( 1.276 -35.818 -0.965) 35.854 6.502 ( -5.915 0.157 -25.006) 25.697 7.020 ( 3.122 -7.973 -7.444) 11.346 7.458 ( -2.419 7.805 -7.846) 11.328 7.642 ( -1.021 23.511 2.798) 23.699 7.905 ( -0.054 -0.423 -2.022) 2.067 8.238 ( -3.585 8.079 -2.474) 9.179 8.373 ( 4.398 -1.260 2.414) 5.173 8.459 ( -4.854 4.560 0.593) 6.686 8.696 ( -10.732 8.156 -1.245) 13.537 9.329 ( -7.584 9.346 -2.942) 12.390 9.461 ( -9.710 6.947 -6.933) 13.806 9.916 ( 0.208 -1.142 -18.365) 18.402 10.773 ( -6.104 14.741 11.154) 19.468 12.003 ( 8.533 2.970 14.961) 17.478 12.298 ( 4.333 -8.359 -1.828) 9.591 12.506 ( -2.928 -3.734 12.343) 13.223 13.474 ( -5.314 7.134 10.126) 13.479 14.573 ( 3.594 -5.893 -9.183) 11.488 15.351 ( -6.570 4.871 -10.191) 13.067 22.287 ( 0.922 -0.434 -1.290) 1.644 22.871 ( -9.477 9.932 -3.056) 14.064 23.765 ( 9.210 -1.775 13.202) 16.195 24.160 ( 11.980 -9.683 14.400) 21.087 25.174 ( 3.651 0.074 7.586) 8.419 25.670 ( 2.610 3.900 -1.141) 4.830 25.837 ( -1.599 3.666 2.323) 4.625 26.790 ( -13.660 -3.324 -11.311) 18.044 ======================= Grid point 29 (22/126) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 32.079 -18.254 -11.628) 38.697 3.013 ( 18.639 -27.012 -16.930) 36.928 3.740 ( 8.661 -19.807 -0.585) 21.626 4.417 ( 7.689 -26.772 -35.033) 44.757 4.491 ( 2.984 -10.684 8.894) 14.218 4.767 ( 12.533 -17.153 0.624) 21.254 5.061 ( 22.737 -1.043 19.001) 29.649 5.884 ( 0.055 -34.501 6.930) 35.190 6.115 ( -7.676 6.566 -12.396) 15.991 6.235 ( -2.531 4.797 -15.856) 16.758 6.743 ( 4.689 -12.070 -9.146) 15.853 7.408 ( -7.037 1.592 -3.581) 8.055 7.909 ( 2.399 3.865 1.285) 4.727 8.111 ( -3.386 31.753 0.593) 31.938 8.353 ( -0.557 11.686 -2.369) 11.937 8.392 ( 3.786 -0.516 4.956) 6.258 8.547 ( -4.715 5.983 2.119) 7.907 8.805 ( -18.699 9.512 -2.924) 21.182 9.235 ( -2.888 6.417 -21.754) 22.864 9.520 ( -9.615 6.599 0.286) 11.665 9.663 ( 0.800 -0.292 -11.075) 11.108 11.222 ( -7.361 18.801 16.024) 25.777 12.060 ( 11.758 -16.406 2.097) 20.293 12.295 ( 0.208 8.128 3.235) 8.751 12.608 ( -6.060 -4.047 8.237) 10.998 13.751 ( -4.476 8.591 12.162) 15.549 14.343 ( 3.207 -6.223 -10.425) 12.557 15.245 ( -4.952 4.269 -12.308) 13.936 22.263 ( 0.672 -0.263 -1.179) 1.382 22.978 ( -9.819 10.103 -0.835) 14.113 23.903 ( 14.305 -0.956 6.245) 15.638 24.291 ( 7.988 -16.184 28.824) 34.008 25.304 ( 2.111 -0.002 9.592) 9.821 25.699 ( 4.383 6.063 -4.757) 8.866 25.937 ( -1.845 3.450 4.470) 5.941 26.546 ( -14.662 -0.569 -18.079) 23.284 ======================= Grid point 30 (23/126) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 37.900 -22.903 -1.058) 44.296 2.371 ( 27.612 -29.826 -15.396) 43.463 3.254 ( 16.064 -47.789 -37.342) 62.739 3.435 ( 13.378 -20.767 -2.144) 24.796 4.555 ( 6.479 -9.107 8.570) 14.085 4.624 ( 9.414 -12.202 2.972) 15.695 5.287 ( 19.771 -2.689 13.188) 23.917 5.591 ( 1.532 -26.756 8.327) 28.064 5.980 ( -7.919 9.070 -15.936) 19.974 6.171 ( -1.778 2.872 -2.685) 4.315 6.465 ( 4.933 -9.684 -7.115) 12.990 7.391 ( -9.066 4.367 -3.926) 10.801 8.075 ( 1.994 4.780 13.708) 14.654 8.343 ( 3.751 -1.946 2.537) 4.928 8.507 ( -5.129 18.712 2.370) 19.547 8.586 ( -2.287 17.470 -4.720) 18.241 8.672 ( -5.722 6.808 3.026) 9.394 8.837 ( -18.044 6.299 -6.933) 20.330 8.972 ( -4.306 6.860 -21.664) 23.129 9.456 ( 1.190 -2.343 -4.487) 5.200 9.729 ( -8.673 10.115 1.843) 13.451 11.695 ( -7.907 13.689 13.415) 20.734 11.843 ( 9.742 -12.056 0.086) 15.500 12.366 ( -0.479 5.159 -8.364) 9.839 12.655 ( -6.027 -2.414 4.785) 8.066 14.021 ( 2.175 5.797 2.934) 6.852 14.126 ( -1.415 -5.861 -0.594) 6.059 15.114 ( -3.355 3.097 -10.927) 11.842 22.245 ( 0.467 -0.177 -0.758) 0.907 23.115 ( -10.355 10.399 0.385) 14.681 23.918 ( 12.042 -3.884 1.051) 12.697 24.610 ( 9.172 -15.685 42.090) 45.844 25.451 ( 2.280 1.151 8.956) 9.313 25.680 ( 5.161 6.170 -8.913) 12.006 26.031 ( -3.992 3.876 -2.771) 6.216 26.248 ( -13.916 0.625 -18.668) 23.293 ======================= Grid point 31 (24/126) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 30.956 -30.956 -0.000) 43.778 1.852 ( 32.871 -32.871 -0.000) 46.487 2.237 ( 39.761 -39.761 -0.000) 56.231 3.156 ( 16.852 -16.852 -0.000) 23.833 4.494 ( 8.440 -8.440 -0.000) 11.936 4.505 ( 8.904 -8.904 -0.000) 12.593 5.334 ( 10.598 -10.598 -0.000) 14.987 5.367 ( 11.530 -11.530 -0.000) 16.307 5.969 ( -7.692 7.692 0.000) 10.878 6.187 ( -1.828 1.828 0.000) 2.585 6.303 ( 5.914 -5.914 -0.000) 8.364 7.431 ( -6.693 6.693 0.000) 9.465 8.325 ( 3.321 -3.321 -0.000) 4.697 8.415 ( -6.035 6.035 0.000) 8.535 8.491 ( 0.207 -0.207 -0.000) 0.292 8.753 ( -3.514 3.514 0.000) 4.970 8.787 ( -12.962 12.962 0.000) 18.331 8.887 ( -9.534 9.534 0.000) 13.482 8.917 ( -8.741 8.741 0.000) 12.361 9.409 ( -0.744 0.744 0.000) 1.052 9.874 ( -8.354 8.354 0.000) 11.814 11.606 ( 11.888 -11.888 -0.000) 16.813 12.146 ( -16.507 16.507 0.000) 23.345 12.211 ( 2.862 -2.862 -0.000) 4.048 12.687 ( -1.425 1.425 0.000) 2.015 13.887 ( 9.135 -9.135 -0.000) 12.919 14.248 ( -5.228 5.228 0.000) 7.394 15.053 ( -2.156 2.156 0.000) 3.049 22.237 ( 0.122 -0.122 -0.000) 0.173 23.263 ( -10.652 10.652 0.000) 15.064 23.851 ( 6.770 -6.770 -0.000) 9.574 24.911 ( 9.231 -9.231 -0.000) 13.055 25.584 ( 0.413 -0.413 -0.000) 0.584 25.621 ( 0.567 -0.567 -0.000) 0.801 25.883 ( -7.970 7.970 0.000) 11.271 26.189 ( -2.172 2.172 0.000) 3.072 ======================= Grid point 36 (25/126) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 5.070 5.070 9.823) 12.161 3.612 ( 3.840 3.840 -1.215) 5.565 3.936 ( -3.046 -3.046 15.812) 16.388 4.221 ( -1.110 -1.110 5.337) 5.563 4.722 ( 14.361 14.361 7.895) 21.790 5.001 ( 19.004 19.004 2.469) 26.988 5.059 ( 22.993 22.993 3.034) 32.658 6.066 ( 15.124 15.124 -24.384) 32.435 6.377 ( -4.103 -4.103 1.062) 5.899 7.095 ( 8.784 8.784 2.832) 12.741 7.239 ( 5.864 5.864 25.220) 26.549 7.696 ( -8.901 -8.901 0.571) 12.602 7.804 ( -1.737 -1.737 0.367) 2.483 8.089 ( 3.121 3.121 -2.822) 5.238 8.210 ( -11.999 -11.999 -7.368) 18.499 8.351 ( -15.966 -15.966 -7.208) 23.703 8.700 ( -1.371 -1.371 -13.939) 14.073 8.705 ( 0.204 0.204 11.975) 11.978 9.151 ( -8.655 -8.655 -6.970) 14.086 9.364 ( -9.755 -9.755 -17.028) 21.915 10.336 ( -3.068 -3.068 -7.601) 8.752 10.528 ( -1.395 -1.395 -3.684) 4.179 11.656 ( 6.891 6.891 -1.556) 9.869 12.208 ( 1.241 1.241 10.446) 10.593 12.337 ( 5.534 5.534 5.538) 9.588 13.239 ( -4.551 -4.551 -2.288) 6.830 14.959 ( -1.936 -1.936 2.953) 4.027 15.404 ( -3.414 -3.414 -7.796) 9.170 22.332 ( 0.483 0.483 0.968) 1.185 22.714 ( 1.493 1.493 -11.102) 11.301 23.451 ( 2.184 2.184 10.040) 10.504 24.075 ( 6.107 6.107 5.541) 10.261 25.047 ( 5.542 5.542 0.705) 7.870 25.612 ( 1.757 1.757 -1.818) 3.079 25.757 ( -1.065 -1.065 -2.014) 2.515 27.090 ( -12.119 -12.119 1.149) 17.178 ======================= Grid point 37 (26/126) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 14.395 -6.757 -2.229) 16.058 3.797 ( -3.013 9.295 3.741) 10.463 4.135 ( -4.622 -6.103 17.646) 19.235 4.210 ( -0.289 -5.514 -0.107) 5.523 4.977 ( 23.646 5.942 8.472) 25.811 5.112 ( 32.175 -0.638 7.708) 33.091 5.559 ( 6.675 25.658 -6.232) 27.235 6.093 ( 5.531 31.998 -7.686) 33.370 6.313 ( -3.699 -2.397 -2.697) 5.168 7.015 ( -2.076 -0.552 -25.397) 25.487 7.375 ( 5.356 -8.691 -0.859) 10.245 7.496 ( -2.697 -13.837 -5.054) 14.976 7.793 ( -2.828 -6.573 -4.599) 8.506 7.966 ( -13.857 -0.861 -4.513) 14.599 8.088 ( -7.191 -6.960 6.371) 11.863 8.185 ( -0.981 -1.209 -0.869) 1.783 8.450 ( -0.023 2.398 -15.404) 15.590 8.850 ( 3.719 -9.711 0.115) 10.400 8.954 ( -6.154 2.140 4.327) 7.822 9.188 ( -13.310 3.687 -3.871) 14.343 10.156 ( -1.766 -0.139 -12.574) 12.698 10.446 ( -1.989 2.657 -6.683) 7.462 11.786 ( 6.280 4.837 8.563) 11.669 12.380 ( -0.617 -1.734 11.995) 12.135 12.498 ( 6.788 1.749 7.165) 10.023 13.190 ( -6.232 -1.949 2.680) 7.059 14.915 ( 3.814 -5.944 -2.410) 7.462 15.258 ( -7.845 2.292 -9.753) 12.725 22.347 ( 2.280 -0.597 0.512) 2.412 22.616 ( -4.523 4.422 -6.765) 9.262 23.653 ( 5.750 3.343 11.784) 13.531 24.240 ( 7.618 1.548 9.611) 12.361 25.141 ( 8.432 5.036 1.791) 9.983 25.626 ( 0.940 2.160 -0.214) 2.365 25.727 ( -1.623 0.254 -0.631) 1.760 26.910 ( -14.369 -11.613 -3.591) 18.821 ======================= Grid point 38 (27/126) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 22.454 -12.099 -3.046) 25.687 3.884 ( 6.231 -6.488 -1.833) 9.180 4.112 ( -0.657 -3.670 1.563) 4.043 4.309 ( -2.769 -4.994 15.997) 16.985 5.095 ( 14.283 -4.695 2.154) 15.189 5.233 ( 34.555 -1.829 13.700) 37.216 5.563 ( 9.568 6.001 -15.544) 19.214 6.171 ( -5.376 -5.777 -9.333) 12.222 6.387 ( -3.884 2.453 -25.505) 25.915 6.683 ( 0.400 20.231 -7.238) 21.490 7.016 ( -1.345 -21.524 -3.569) 21.859 7.320 ( 1.785 -1.999 -7.994) 8.431 7.557 ( -5.934 -2.646 -11.601) 13.297 7.949 ( 1.979 -2.657 -4.150) 5.310 8.112 ( -15.232 7.661 -0.761) 17.067 8.149 ( -8.014 1.551 0.768) 8.199 8.410 ( 1.751 3.838 -0.883) 4.310 8.682 ( 2.782 -6.816 -2.835) 7.889 9.097 ( -9.412 5.973 2.430) 11.409 9.228 ( -7.831 8.848 -7.120) 13.795 9.965 ( 4.244 -1.480 -11.817) 12.643 10.494 ( -6.157 12.758 1.961) 14.302 12.020 ( 3.868 4.066 13.368) 14.498 12.483 ( -1.507 -4.807 5.720) 7.622 12.567 ( 7.857 -7.375 8.914) 13.985 13.293 ( -8.205 5.325 7.961) 12.612 14.738 ( 5.812 -8.260 -7.258) 12.437 15.174 ( -8.396 5.930 -10.005) 14.345 22.327 ( 2.920 -1.780 -0.576) 3.468 22.633 ( -7.519 7.652 -2.652) 11.051 23.886 ( 9.856 3.429 13.076) 16.730 24.395 ( 8.457 -3.832 12.992) 15.968 25.232 ( 7.116 2.411 4.034) 8.527 25.655 ( 1.997 3.142 -0.799) 3.808 25.759 ( -2.256 3.280 1.480) 4.247 26.673 ( -16.186 -9.717 -8.880) 20.863 ======================= Grid point 39 (28/126) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 29.774 -17.450 -1.903) 34.563 3.577 ( 16.390 -19.222 -11.293) 27.670 4.073 ( 5.402 -13.188 4.186) 14.854 4.520 ( 0.309 0.529 14.753) 14.766 4.881 ( 8.100 -18.508 -15.465) 25.443 5.219 ( 16.086 -16.426 -12.262) 26.056 5.451 ( 30.577 -2.643 16.133) 34.673 5.870 ( -11.388 6.283 -20.227) 24.048 6.152 ( -3.491 2.584 -11.195) 12.008 6.397 ( 3.005 -35.850 3.675) 36.162 6.922 ( 1.267 -5.507 -9.914) 11.411 7.276 ( -4.574 7.542 -9.848) 13.220 7.593 ( -4.725 28.395 -0.571) 28.791 7.882 ( -0.418 5.778 -5.013) 7.661 8.155 ( -4.831 5.106 1.068) 7.110 8.304 ( -20.035 10.172 1.713) 22.534 8.453 ( -3.634 3.956 -0.368) 5.384 8.568 ( 2.325 -3.822 -3.472) 5.663 9.110 ( -2.713 6.043 -18.298) 19.460 9.248 ( -12.576 8.763 1.982) 15.456 9.772 ( 9.057 -4.714 -7.728) 12.806 10.836 ( -9.209 20.932 10.368) 25.109 12.219 ( -0.391 1.023 3.941) 4.090 12.433 ( 9.340 -10.168 6.728) 15.358 12.597 ( -2.190 -7.640 7.645) 11.028 13.544 ( -7.699 9.841 10.921) 16.595 14.508 ( 5.837 -8.352 -7.773) 12.816 15.098 ( -6.495 5.844 -11.141) 14.158 22.294 ( 2.293 -1.549 -0.628) 2.837 22.723 ( -8.487 8.836 -0.647) 12.269 24.103 ( 15.489 1.991 9.019) 18.033 24.546 ( 5.634 -8.126 20.639) 22.886 25.339 ( 3.629 0.565 7.732) 8.560 25.679 ( 4.397 5.704 -4.498) 8.492 25.847 ( -2.865 4.528 2.812) 6.051 26.383 ( -17.008 -7.409 -14.374) 23.469 ======================= Grid point 40 (29/126) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 31.565 -23.036 3.426) 39.227 3.106 ( 26.866 -22.695 -11.478) 36.994 3.883 ( 12.174 -18.720 0.245) 22.331 4.071 ( 17.861 -37.259 -27.161) 49.447 4.747 ( 5.649 -5.597 13.495) 15.664 4.957 ( 12.522 -14.786 1.004) 19.402 5.625 ( 16.471 1.008 5.800) 17.492 5.718 ( -1.191 5.199 -9.512) 10.906 6.034 ( 2.872 -29.804 6.722) 30.687 6.084 ( -4.092 3.265 -3.951) 6.559 6.657 ( 4.288 -8.546 -9.498) 13.477 7.219 ( -6.852 5.097 -6.804) 10.919 7.954 ( -3.620 13.647 3.756) 14.610 8.051 ( -6.920 26.759 0.140) 27.640 8.304 ( -6.319 11.869 2.458) 13.669 8.444 ( -20.714 9.000 -0.457) 22.589 8.476 ( 2.638 -2.018 -2.286) 4.032 8.506 ( -8.996 3.485 0.516) 9.661 8.857 ( -2.414 3.525 -21.782) 22.197 9.425 ( -10.989 10.930 2.687) 15.730 9.618 ( 9.791 -6.382 -3.028) 12.073 11.291 ( -12.225 21.971 9.908) 27.024 12.108 ( 3.841 -8.945 -5.915) 11.391 12.458 ( 10.721 -7.959 5.977) 14.629 12.595 ( -7.074 -2.762 3.595) 8.402 13.848 ( -6.740 10.703 9.740) 15.964 14.295 ( 6.154 -8.981 -4.873) 11.928 15.009 ( -4.607 4.549 -9.523) 11.516 22.268 ( 1.646 -1.199 -0.404) 2.076 22.844 ( -9.334 9.490 0.103) 13.311 24.161 ( 14.965 -4.614 1.750) 15.758 24.852 ( 4.666 -6.329 32.890) 33.817 25.469 ( 3.324 1.894 6.995) 7.973 25.661 ( 5.615 7.446 -10.122) 13.763 25.903 ( -9.331 0.128 -7.971) 12.273 26.091 ( -11.588 -2.090 -8.454) 14.495 ======================= Grid point 41 (30/126) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 28.078 -28.078 -0.000) 39.708 2.696 ( 28.982 -28.982 -0.000) 40.986 3.269 ( 36.195 -36.195 -0.000) 51.187 3.638 ( 17.968 -17.968 -0.000) 25.410 4.744 ( 9.569 -9.569 -0.000) 13.532 4.787 ( 11.834 -11.834 -0.000) 16.735 5.677 ( 14.467 -14.467 -0.000) 20.459 5.710 ( -11.402 11.402 0.000) 16.124 5.736 ( 15.467 -15.467 -0.000) 21.874 6.112 ( -3.814 3.814 0.000) 5.394 6.475 ( 6.434 -6.434 -0.000) 9.099 7.245 ( -6.812 6.812 0.000) 9.634 8.199 ( -10.182 10.182 0.000) 14.399 8.375 ( -17.156 17.156 0.000) 24.262 8.396 ( 1.104 -1.104 -0.000) 1.561 8.474 ( -3.648 3.648 0.000) 5.160 8.555 ( -9.999 9.999 0.000) 14.140 8.603 ( -9.051 9.051 0.000) 12.801 8.698 ( -6.522 6.522 0.000) 9.224 9.496 ( 7.174 -7.174 -0.000) 10.146 9.606 ( -11.269 11.269 0.000) 15.937 11.667 ( -18.605 18.605 0.000) 26.311 11.913 ( 9.783 -9.783 -0.000) 13.836 12.359 ( 8.782 -8.782 -0.000) 12.419 12.633 ( -2.636 2.636 0.000) 3.727 14.067 ( -8.138 8.138 0.000) 11.508 14.130 ( 8.694 -8.694 -0.000) 12.295 14.979 ( -3.361 3.361 0.000) 4.753 22.250 ( 0.911 -0.911 -0.000) 1.289 22.978 ( -10.123 10.123 0.000) 14.316 24.072 ( 9.449 -9.449 -0.000) 13.363 25.150 ( 8.245 -8.245 -0.000) 11.660 25.606 ( 1.289 -1.289 -0.000) 1.824 25.633 ( 0.185 -0.185 -0.000) 0.262 25.637 ( -10.129 10.129 0.000) 14.324 26.107 ( -3.817 3.817 0.000) 5.398 ======================= Grid point 48 (31/126) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 4.557 4.557 8.217) 10.443 3.785 ( 3.512 3.512 0.175) 4.970 4.152 ( -1.803 -1.803 -4.640) 5.295 4.343 ( -6.772 -6.772 19.028) 21.302 5.255 ( 7.471 7.471 5.465) 11.895 5.460 ( 6.938 6.938 -13.358) 16.574 5.717 ( 18.518 18.518 9.335) 27.802 6.177 ( 1.991 1.991 -3.896) 4.808 6.233 ( 16.120 16.120 0.658) 22.807 6.427 ( -3.519 -3.519 -41.907) 42.202 7.343 ( -13.631 -13.631 -3.854) 19.659 7.363 ( -2.253 -2.253 -6.717) 7.434 7.526 ( -6.901 -6.901 -15.646) 18.440 7.784 ( -7.880 -7.880 5.031) 12.227 7.986 ( -0.469 -0.469 -14.345) 14.360 8.151 ( -1.899 -1.899 -2.101) 3.410 8.412 ( 1.547 1.547 3.897) 4.469 8.750 ( -6.492 -6.492 -4.873) 10.394 9.032 ( 2.542 2.542 1.258) 3.809 9.047 ( 0.128 0.128 -3.089) 3.094 10.029 ( 3.436 3.436 -4.929) 6.921 10.336 ( 1.664 1.664 -5.627) 6.100 12.019 ( 2.844 2.844 13.341) 13.934 12.490 ( -4.629 -4.629 7.557) 9.998 12.716 ( 5.090 5.090 9.750) 12.119 13.172 ( -4.504 -4.504 5.631) 8.502 14.900 ( -0.250 -0.250 -4.949) 4.961 15.011 ( -2.205 -2.205 -11.708) 12.116 22.389 ( 1.175 1.175 1.032) 1.956 22.498 ( -0.394 -0.394 -3.810) 3.850 23.931 ( 7.467 7.467 13.359) 17.029 24.480 ( 2.709 2.709 12.486) 13.061 25.273 ( 7.508 7.508 0.942) 10.660 25.642 ( 0.754 0.754 0.792) 1.328 25.717 ( 0.320 0.320 0.868) 0.979 26.627 ( -14.591 -14.591 -7.762) 22.047 ======================= Grid point 50 (32/126) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.681 ( 19.968 -12.398 2.183) 23.605 3.906 ( 3.423 -6.379 -4.442) 8.494 4.166 ( 1.717 6.621 7.826) 10.394 4.513 ( -4.862 -6.057 17.107) 18.788 5.195 ( 9.432 -10.671 -10.661) 17.790 5.434 ( 0.149 8.262 -4.477) 9.398 5.753 ( 2.742 -7.365 -31.737) 32.696 5.956 ( 30.805 -0.981 10.560) 32.579 6.053 ( -4.336 2.499 -11.326) 12.382 6.682 ( 1.406 25.268 1.290) 25.340 6.959 ( -2.058 -27.066 -3.084) 27.318 7.183 ( -3.145 -4.706 -8.558) 10.261 7.323 ( -3.443 5.378 -7.881) 10.143 7.728 ( -13.980 4.728 -10.749) 18.257 7.921 ( -8.822 6.244 0.158) 10.810 8.076 ( -5.492 -1.993 -2.809) 6.483 8.448 ( 3.719 -2.339 1.592) 4.673 8.629 ( -2.487 -1.873 -4.313) 5.320 9.008 ( -3.063 4.844 -10.760) 12.191 9.014 ( -3.240 4.133 -4.591) 6.975 10.016 ( 15.423 -4.960 0.711) 16.217 10.439 ( -8.730 17.466 3.710) 19.875 12.219 ( 0.126 -0.492 9.742) 9.756 12.488 ( -7.574 -6.277 3.230) 10.354 12.860 ( 13.765 -7.648 10.182) 18.752 13.290 ( -10.533 7.561 8.422) 15.461 14.710 ( 6.950 -8.329 -7.897) 13.418 14.915 ( -7.656 6.810 -9.625) 14.058 22.372 ( 4.408 -3.302 -0.082) 5.508 22.519 ( -6.056 6.473 -0.597) 8.885 24.240 ( 12.783 7.101 13.726) 20.056 24.668 ( 3.030 -1.356 12.003) 12.454 25.378 ( 5.384 3.317 4.015) 7.491 25.663 ( 0.488 1.495 -0.591) 1.680 25.763 ( -0.173 3.635 1.368) 3.888 26.294 ( -15.931 -12.567 -11.872) 23.509 ======================= Grid point 51 (33/126) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 20.960 -18.228 2.235) 27.867 3.655 ( 15.905 -13.432 -7.337) 22.073 4.245 ( 9.940 -12.610 6.388) 17.280 4.688 ( 15.054 -12.679 -10.279) 22.204 4.825 ( -1.040 -6.701 10.754) 12.713 5.341 ( 13.278 -13.570 -4.125) 19.428 5.397 ( -9.434 9.087 -17.724) 22.039 5.943 ( -7.564 4.488 -6.171) 10.744 6.099 ( 29.956 -3.550 10.076) 31.804 6.510 ( 3.088 -31.504 4.992) 32.046 6.788 ( 2.406 -2.475 -9.572) 10.175 7.064 ( -5.951 5.051 -8.566) 11.589 7.543 ( -5.517 26.132 2.853) 26.860 7.706 ( -10.551 13.462 -6.982) 18.474 8.031 ( -17.520 8.279 0.042) 19.378 8.058 ( -13.112 4.298 -0.442) 13.806 8.451 ( 1.786 -1.745 4.200) 4.886 8.537 ( 1.679 -1.277 -4.697) 5.149 8.808 ( 0.012 0.966 -17.106) 17.133 9.112 ( -11.521 10.943 0.353) 15.894 9.922 ( 16.882 -10.328 1.139) 19.823 10.811 ( -13.313 22.533 6.042) 26.860 12.237 ( 1.367 -6.941 -0.273) 7.080 12.487 ( -7.890 -0.419 3.616) 8.690 12.829 ( 14.938 -13.954 6.330) 21.400 13.571 ( -10.522 12.652 8.259) 18.412 14.501 ( 6.980 -8.053 -4.897) 11.728 14.868 ( -5.815 5.816 -7.787) 11.326 22.328 ( 3.410 -2.861 -0.085) 4.452 22.614 ( -7.318 7.680 0.126) 10.609 24.432 ( 16.880 -2.835 4.956) 17.819 24.897 ( -0.119 4.176 20.108) 20.537 25.486 ( 3.203 2.217 4.254) 5.769 25.640 ( -0.048 0.619 -5.325) 5.361 25.811 ( -4.512 -0.627 -3.696) 5.866 25.981 ( -10.557 -4.092 -8.438) 14.121 ======================= Grid point 52 (34/126) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 22.567 -22.567 -0.000) 31.914 3.381 ( 20.764 -20.764 -0.000) 29.364 4.095 ( 15.609 -15.609 -0.000) 22.074 4.167 ( 29.444 -29.444 -0.000) 41.640 4.978 ( 6.941 -6.941 -0.000) 9.816 5.135 ( 13.513 -13.513 -0.000) 19.111 5.357 ( -14.617 14.617 0.000) 20.671 5.977 ( -6.161 6.161 0.000) 8.713 6.101 ( 16.569 -16.569 -0.000) 23.432 6.184 ( 17.184 -17.184 -0.000) 24.303 6.635 ( 5.199 -5.199 -0.000) 7.352 7.070 ( -6.157 6.157 0.000) 8.708 7.865 ( -14.046 14.046 0.000) 19.865 7.887 ( -18.133 18.133 0.000) 25.644 8.165 ( -13.742 13.742 0.000) 19.434 8.182 ( -13.179 13.179 0.000) 18.638 8.481 ( 1.363 -1.363 -0.000) 1.928 8.533 ( -0.156 0.156 0.000) 0.221 8.604 ( -0.024 0.024 0.000) 0.034 9.280 ( -12.463 12.463 0.000) 17.625 9.772 ( 12.784 -12.784 -0.000) 18.079 11.153 ( -19.194 19.194 0.000) 27.144 12.122 ( 6.274 -6.274 -0.000) 8.872 12.543 ( -3.940 3.940 0.000) 5.572 12.683 ( 14.268 -14.268 -0.000) 20.179 13.808 ( -11.033 11.033 0.000) 15.603 14.355 ( 7.906 -7.906 -0.000) 11.181 14.871 ( -4.617 4.617 0.000) 6.529 22.292 ( 2.315 -2.315 -0.000) 3.274 22.725 ( -8.495 8.495 0.000) 12.014 24.355 ( 11.341 -11.341 -0.000) 16.039 25.341 ( -11.645 11.645 0.000) 16.468 25.350 ( 6.397 -6.397 -0.000) 9.047 25.626 ( -0.804 0.804 0.000) 1.137 25.658 ( 2.554 -2.554 -0.000) 3.612 25.990 ( -4.690 4.690 0.000) 6.633 ======================= Grid point 61 (35/126) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 0.752 0.752 -2.205) 2.448 3.847 ( -1.778 -1.778 -4.303) 4.983 4.462 ( 7.913 7.913 17.181) 20.504 4.653 ( -6.620 -6.620 13.049) 16.060 5.118 ( 0.762 0.762 -12.130) 12.177 5.146 ( -0.496 -0.496 -18.688) 18.701 5.631 ( 4.356 4.356 -3.575) 7.123 5.778 ( -5.912 -5.912 -9.750) 12.844 6.449 ( 14.016 14.016 8.573) 21.597 6.720 ( 9.829 9.829 -5.995) 15.138 6.839 ( -13.041 -13.041 0.433) 18.448 6.983 ( -8.604 -8.604 -7.366) 14.224 7.298 ( 6.626 6.626 2.498) 9.698 7.465 ( -3.273 -3.273 -5.312) 7.046 7.842 ( -0.552 -0.552 -1.778) 1.942 7.923 ( -5.067 -5.067 -5.544) 9.061 8.515 ( 1.141 1.141 0.436) 1.671 8.547 ( -1.137 -1.137 -2.111) 2.654 8.864 ( 0.360 0.360 -6.891) 6.910 8.871 ( -0.092 -0.092 -7.208) 7.209 10.303 ( 6.280 6.280 5.811) 10.613 10.370 ( 1.911 1.911 1.570) 3.126 12.325 ( -1.115 -1.115 4.961) 5.206 12.402 ( -6.242 -6.242 -0.061) 8.828 13.181 ( 3.802 3.802 9.410) 10.838 13.262 ( -2.124 -2.124 4.786) 5.651 14.694 ( 0.026 0.026 -6.222) 6.222 14.698 ( -0.298 -0.298 -5.946) 5.961 22.437 ( 0.536 0.536 0.422) 0.868 22.445 ( -0.019 -0.019 -0.227) 0.229 24.622 ( 10.961 10.961 13.497) 20.554 24.808 ( 0.352 0.352 4.909) 4.935 25.494 ( 1.628 1.628 4.812) 5.335 25.640 ( -4.662 -4.662 -0.364) 6.603 25.787 ( 2.990 2.990 -0.935) 4.331 25.933 ( -9.101 -9.101 -11.054) 16.966 ======================= Grid point 63 (36/126) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 10.584 -10.584 -0.000) 14.968 3.765 ( 6.715 -6.715 -0.000) 9.496 4.501 ( 15.158 -15.158 -0.000) 21.437 4.811 ( 17.081 -17.081 -0.000) 24.156 4.933 ( -16.337 16.337 0.000) 23.105 5.063 ( -1.973 1.973 0.000) 2.790 5.489 ( 12.146 -12.146 -0.000) 17.177 5.775 ( -8.925 8.925 0.000) 12.622 6.545 ( 15.452 -15.452 -0.000) 21.852 6.617 ( 12.958 -12.958 -0.000) 18.326 6.749 ( 2.389 -2.389 -0.000) 3.379 6.882 ( -8.935 8.935 0.000) 12.637 7.469 ( -10.229 10.229 0.000) 14.466 7.495 ( -11.110 11.110 0.000) 15.712 7.860 ( -6.520 6.520 0.000) 9.221 7.881 ( -7.471 7.471 0.000) 10.566 8.513 ( 0.896 -0.896 -0.000) 1.268 8.529 ( -0.298 0.298 0.000) 0.421 8.700 ( 6.906 -6.906 -0.000) 9.766 8.953 ( -11.235 11.235 0.000) 15.889 10.169 ( 16.283 -16.283 -0.000) 23.027 10.641 ( -18.397 18.397 0.000) 26.018 12.279 ( 5.519 -5.519 -0.000) 7.805 12.422 ( -4.966 4.966 0.000) 7.023 13.086 ( 14.976 -14.976 -0.000) 21.179 13.474 ( -13.506 13.506 0.000) 19.101 14.556 ( 6.951 -6.951 -0.000) 9.830 14.729 ( -5.841 5.841 0.000) 8.260 22.380 ( 4.223 -4.223 -0.000) 5.972 22.523 ( -6.393 6.393 0.000) 9.040 24.677 ( 12.327 -12.327 -0.000) 17.433 25.014 ( -12.406 12.406 0.000) 17.544 25.494 ( 4.310 -4.310 -0.000) 6.095 25.584 ( -2.357 2.357 0.000) 3.333 25.745 ( 3.836 -3.836 -0.000) 5.425 25.861 ( -4.665 4.665 0.000) 6.597 ======================= Grid point 137 (37/126) ======================= q-point: ( 0.09 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 21.847 21.847 21.319) 37.538 2.251 ( 27.107 27.107 23.271) 44.846 3.252 ( 14.474 14.474 7.443) 21.781 3.548 ( 25.476 25.476 62.394) 72.049 4.299 ( 6.071 6.071 -10.650) 13.680 4.401 ( 10.198 10.198 -6.447) 15.798 5.043 ( 9.482 9.482 -14.388) 19.668 5.110 ( 11.958 11.958 -13.098) 21.391 6.237 ( -2.263 -2.263 3.818) 4.982 6.414 ( -6.532 -6.532 24.303) 25.999 6.451 ( 8.349 8.349 7.141) 13.799 7.471 ( -4.564 -4.564 -3.182) 7.196 7.960 ( 1.030 1.030 -4.411) 4.646 8.181 ( 7.836 7.836 -8.475) 13.951 8.593 ( -7.015 -7.015 -4.093) 10.732 8.676 ( -3.472 -3.472 -2.453) 5.489 8.992 ( -12.921 -12.921 4.362) 18.786 8.997 ( -13.331 -13.331 5.746) 19.709 9.399 ( -5.560 -5.560 22.263) 23.611 9.580 ( -1.103 -1.103 13.933) 14.020 9.802 ( -7.093 -7.093 -4.095) 10.835 11.559 ( 2.606 2.606 -18.870) 19.227 11.681 ( 0.962 0.962 -2.423) 2.778 12.522 ( -0.965 -0.965 -10.454) 10.543 12.574 ( -5.203 -5.203 -1.095) 7.440 13.929 ( -4.304 -4.304 -14.911) 16.105 14.314 ( -5.485 -5.485 22.845) 24.125 15.337 ( -2.885 -2.885 12.299) 12.958 22.262 ( -0.174 -0.174 1.447) 1.468 23.235 ( -7.475 -7.475 -1.531) 10.682 23.707 ( 20.628 20.628 -37.475) 47.491 23.832 ( 6.890 6.890 -1.022) 9.798 25.293 ( 0.824 0.824 -10.745) 10.808 25.796 ( 0.271 0.271 3.645) 3.665 25.967 ( 0.125 0.125 -9.644) 9.645 26.734 ( -12.473 -12.473 23.582) 29.450 ======================= Grid point 138 (38/126) ======================= q-point: ( 0.18 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 20.319 13.922 23.496) 34.041 2.956 ( 18.256 24.543 22.055) 37.710 3.548 ( 8.824 14.232 5.426) 17.603 4.219 ( 2.675 5.547 -10.060) 11.796 4.470 ( 12.079 13.527 -5.633) 18.990 4.757 ( 20.248 11.406 21.143) 31.419 4.900 ( 19.730 11.636 24.303) 33.396 5.285 ( -1.391 33.348 -10.127) 34.879 6.261 ( -2.493 -3.222 4.514) 6.080 6.646 ( -4.837 -6.528 16.285) 18.199 6.709 ( 6.258 11.045 8.727) 15.405 7.391 ( -0.247 2.094 -2.495) 3.267 7.921 ( 0.142 -0.904 -0.786) 1.206 8.182 ( 6.951 8.317 -7.101) 12.958 8.421 ( -5.397 -13.568 -0.730) 14.620 8.579 ( -4.316 -7.083 -2.832) 8.764 8.709 ( -3.724 -23.984 3.062) 24.464 8.953 ( -20.279 -8.190 0.710) 21.882 9.572 ( -8.453 -9.038 -1.482) 12.464 9.646 ( -6.283 -6.357 15.920) 18.257 9.893 ( -0.889 0.379 20.515) 20.538 11.118 ( -7.037 -10.393 -23.317) 26.481 11.800 ( 12.286 13.149 -4.069) 18.450 12.331 ( -0.520 -2.878 -10.139) 10.553 12.452 ( -1.978 -1.391 -8.444) 8.783 13.654 ( -4.447 -5.505 -12.741) 14.574 14.538 ( -1.861 -4.324 16.562) 17.218 15.455 ( -4.702 -3.041 8.652) 10.306 22.282 ( -0.283 -0.076 1.420) 1.450 23.133 ( -9.877 -9.200 2.399) 13.709 23.499 ( 13.978 18.587 -26.830) 35.507 23.906 ( 10.097 6.498 -1.701) 12.127 25.159 ( 2.334 1.155 -8.667) 9.049 25.786 ( 3.666 -3.615 -2.624) 5.779 25.867 ( -1.836 2.127 -4.543) 5.342 26.878 ( -12.563 -9.548 16.197) 22.613 ======================= Grid point 139 (39/126) ======================= q-point: ( 0.27 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 15.700 8.961 21.091) 27.778 3.501 ( 9.887 15.097 12.588) 22.003 3.779 ( 4.393 11.208 3.138) 12.441 4.152 ( -0.737 2.090 -6.007) 6.403 4.515 ( 26.033 2.705 -11.784) 28.704 4.671 ( 19.270 6.918 -1.880) 20.560 5.643 ( 2.323 29.208 0.536) 29.305 5.941 ( 7.904 21.851 39.613) 45.925 6.293 ( -1.861 -1.447 5.004) 5.531 6.726 ( -2.452 5.678 0.914) 6.252 6.981 ( 7.005 11.595 5.883) 14.769 7.487 ( -0.327 2.076 8.058) 8.328 7.911 ( -3.428 0.454 -0.018) 3.458 8.105 ( -2.954 -30.843 0.665) 30.991 8.172 ( 5.314 3.388 -6.474) 9.035 8.445 ( -4.649 -4.842 2.979) 7.343 8.552 ( -6.452 -9.297 0.226) 11.319 8.820 ( -10.844 -8.783 -0.814) 13.979 9.407 ( -13.228 -6.955 -4.920) 15.734 9.683 ( -5.666 -12.594 2.357) 14.009 10.200 ( -3.706 -0.283 18.666) 19.032 10.704 ( -6.147 -5.468 -13.865) 16.122 11.814 ( 12.672 3.487 -10.281) 16.687 12.213 ( -0.272 3.926 -6.583) 7.669 12.330 ( 2.298 1.128 -5.088) 5.696 13.412 ( -4.753 -5.593 -9.174) 11.749 14.696 ( 1.318 -2.211 10.589) 10.898 15.512 ( -6.644 -2.528 4.352) 8.335 22.301 ( -0.126 0.121 1.162) 1.175 23.045 ( -12.965 -8.242 1.773) 15.465 23.400 ( 11.348 13.449 -15.999) 23.783 23.953 ( 12.222 4.358 -1.839) 13.105 25.073 ( 5.245 1.380 -5.112) 7.453 25.697 ( 2.084 -1.699 -3.131) 4.127 25.833 ( -0.785 -0.481 -2.297) 2.475 26.964 ( -13.134 -5.932 9.524) 17.274 ======================= Grid point 140 (40/126) ======================= q-point: ( 0.36 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 10.390 3.743 11.944) 16.267 3.693 ( 0.784 3.734 -1.158) 3.987 3.970 ( 4.014 8.021 3.126) 9.499 4.093 ( -3.654 -2.532 -1.732) 4.771 4.349 ( 37.931 -1.450 -6.344) 38.486 4.780 ( 16.681 5.054 0.627) 17.441 5.934 ( 9.456 8.554 1.303) 12.818 6.291 ( -3.010 -0.786 1.557) 3.479 6.630 ( 3.149 25.002 11.163) 27.562 6.967 ( 1.238 4.644 10.611) 11.649 7.088 ( 2.557 -3.045 -4.469) 5.982 7.486 ( 6.303 -6.165 -2.678) 9.214 7.844 ( -4.379 -10.935 7.054) 13.730 7.960 ( -9.454 1.770 4.767) 10.735 8.122 ( 5.484 1.502 -4.266) 7.108 8.378 ( -15.448 -6.824 -4.415) 17.456 8.559 ( -1.599 3.168 10.428) 11.015 8.749 ( 0.208 -2.281 0.801) 2.426 9.151 ( -10.409 -11.313 -12.711) 19.947 9.501 ( -10.883 -4.514 -3.002) 12.159 10.399 ( -6.792 -0.423 7.639) 10.230 10.574 ( -5.743 -0.487 -1.645) 5.994 11.689 ( 12.455 -1.031 -4.958) 13.445 12.154 ( 1.913 1.903 -5.053) 5.728 12.361 ( 4.609 3.069 1.070) 5.640 13.250 ( -5.065 -2.893 -3.751) 6.935 14.786 ( 3.200 -0.597 3.783) 4.991 15.526 ( -8.106 -1.040 1.144) 8.252 22.316 ( 0.326 0.116 0.500) 0.608 22.978 ( -14.683 -3.056 0.107) 14.998 23.371 ( 10.241 4.659 -4.911) 12.277 23.971 ( 12.639 1.486 -0.859) 12.755 25.039 ( 8.270 0.684 -1.576) 8.447 25.655 ( 0.890 -0.288 -0.834) 1.254 25.794 ( -0.805 -0.746 -1.169) 1.603 27.004 ( -13.599 -2.013 3.138) 14.101 ======================= Grid point 146 (41/126) ======================= q-point: (-0.09 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 26.697 0.000 -0.000) 26.697 1.248 ( 45.147 0.000 -0.000) 45.147 1.920 ( 68.435 0.000 -0.000) 68.435 2.912 ( 19.511 0.000 -0.000) 19.511 4.373 ( 9.181 0.000 -0.000) 9.181 4.376 ( 9.090 0.000 -0.000) 9.090 5.077 ( 2.886 0.000 -0.000) 2.886 5.314 ( 19.287 0.000 -0.000) 19.287 6.083 ( -6.692 -0.000 0.000) 6.692 6.178 ( 0.126 0.000 -0.000) 0.126 6.252 ( 5.679 0.000 -0.000) 5.679 7.636 ( -2.102 -0.000 0.000) 2.102 8.157 ( -2.324 -0.000 0.000) 2.324 8.486 ( 0.174 0.000 -0.000) 0.174 8.498 ( -5.829 -0.000 0.000) 5.829 8.770 ( -0.265 -0.000 0.000) 0.265 8.890 ( -18.956 -0.000 0.000) 18.956 8.989 ( -14.968 -0.000 0.000) 14.968 9.096 ( -4.561 -0.000 0.000) 4.561 9.501 ( -1.608 -0.000 0.000) 1.608 9.995 ( -7.813 -0.000 0.000) 7.813 11.428 ( 14.616 0.000 -0.000) 14.616 12.200 ( 3.115 0.000 -0.000) 3.115 12.342 ( -23.525 -0.000 0.000) 23.525 12.763 ( 3.009 0.000 -0.000) 3.009 13.729 ( 10.607 0.000 -0.000) 10.607 14.324 ( -4.148 -0.000 0.000) 4.148 15.093 ( -1.376 -0.000 0.000) 1.376 22.236 ( -0.291 -0.000 0.000) 0.291 23.489 ( -10.675 -0.000 0.000) 10.675 23.672 ( 0.695 0.000 -0.000) 0.695 24.788 ( 15.094 0.000 -0.000) 15.094 25.431 ( -11.747 -0.000 0.000) 11.747 25.579 ( -0.022 -0.000 0.000) 0.022 26.083 ( -2.077 -0.000 0.000) 2.077 26.296 ( 3.324 0.000 -0.000) 3.324 ======================= Grid point 149 (42/126) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 11.249 11.249 21.041) 26.378 3.467 ( 15.239 15.239 13.193) 25.268 3.720 ( 7.172 7.172 2.688) 10.492 4.138 ( 1.517 1.517 -4.294) 4.800 4.612 ( 15.556 15.556 -0.770) 22.013 5.058 ( 17.618 17.618 -5.656) 25.550 5.164 ( 19.465 19.465 -9.090) 28.990 5.904 ( 15.472 15.472 53.750) 58.033 6.283 ( -4.234 -4.234 4.585) 7.541 6.675 ( 0.707 0.707 -6.087) 6.169 6.948 ( 10.929 10.929 7.533) 17.194 7.467 ( -0.502 -0.502 9.899) 9.925 7.879 ( -1.750 -1.750 -2.651) 3.627 8.174 ( 5.573 5.573 -5.510) 9.617 8.368 ( -7.508 -7.508 4.006) 11.349 8.426 ( -11.114 -11.114 -5.304) 16.589 8.575 ( -16.457 -16.457 -2.387) 23.395 8.777 ( -6.981 -6.981 4.415) 10.815 9.353 ( -10.124 -10.124 -6.316) 15.649 9.737 ( -10.789 -10.789 4.734) 15.976 10.173 ( -1.509 -1.509 17.166) 17.298 10.697 ( -6.822 -6.822 -16.737) 19.319 11.885 ( 11.896 11.896 -8.554) 18.873 12.179 ( 0.546 0.546 -8.103) 8.140 12.340 ( 1.082 1.082 -4.370) 4.630 13.417 ( -5.669 -5.669 -9.498) 12.429 14.728 ( -1.725 -1.725 12.179) 12.421 15.477 ( -4.737 -4.737 3.194) 7.422 22.299 ( 0.128 0.128 1.197) 1.211 23.004 ( -9.753 -9.753 -1.915) 13.926 23.392 ( 14.532 14.532 -13.842) 24.778 24.007 ( 6.678 6.678 -0.516) 9.458 25.105 ( 4.623 4.623 -4.623) 8.007 25.732 ( 0.932 0.932 -6.153) 6.292 25.824 ( -0.082 -0.082 -1.656) 1.660 26.909 ( -12.619 -12.619 11.143) 21.039 ======================= Grid point 150 (43/126) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 9.193 4.286 15.611) 18.617 3.685 ( 5.641 3.977 -0.486) 6.920 3.849 ( -0.822 8.067 1.564) 8.258 4.129 ( 0.308 -2.352 2.745) 3.628 4.819 ( 24.418 11.277 1.642) 26.946 5.018 ( 37.956 0.103 -1.358) 37.980 5.626 ( 1.622 42.542 -1.933) 42.617 6.277 ( -4.586 -5.175 3.694) 7.839 6.550 ( 12.465 7.173 -6.282) 15.694 6.840 ( 5.361 15.229 31.751) 35.620 7.183 ( 10.851 6.226 4.708) 13.366 7.550 ( -3.939 -3.565 2.791) 6.001 7.818 ( -5.988 -0.097 -2.913) 6.660 8.053 ( -7.037 -24.895 -1.459) 25.912 8.177 ( 5.366 2.979 -2.390) 6.586 8.256 ( -21.239 -10.780 -7.265) 24.901 8.516 ( -2.446 -1.038 10.784) 11.107 8.769 ( -1.369 -1.938 0.859) 2.523 9.131 ( -11.918 -9.178 -7.540) 16.826 9.458 ( -13.405 -13.025 -13.733) 23.193 10.325 ( -4.731 -1.239 5.362) 7.257 10.512 ( -5.563 -2.780 -1.538) 6.407 11.843 ( 11.848 4.514 -9.136) 15.628 12.145 ( 1.134 2.241 -0.096) 2.513 12.372 ( 5.810 5.502 1.506) 8.142 13.228 ( -6.344 -5.391 -5.293) 9.866 14.848 ( 1.813 -1.859 6.809) 7.287 15.435 ( -7.616 -2.828 -1.373) 8.239 22.321 ( 0.808 0.468 1.068) 1.419 22.846 ( -9.793 -3.994 -5.565) 11.951 23.439 ( 11.296 8.226 -1.726) 14.080 24.069 ( 5.546 2.160 1.156) 6.063 25.139 ( 11.033 5.849 -1.068) 12.533 25.671 ( 1.516 0.564 -3.062) 3.463 25.787 ( -0.763 -0.120 -2.777) 2.882 26.877 ( -15.906 -10.217 5.638) 19.728 ======================= Grid point 151 (44/126) ======================= q-point: (-0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 11.199 -3.187 -4.761) 12.579 3.745 ( 1.389 -0.944 8.775) 8.935 3.971 ( -5.459 5.295 3.146) 8.230 4.108 ( 1.208 -6.304 1.262) 6.541 4.934 ( 45.264 1.736 3.902) 45.465 5.046 ( 20.325 0.385 1.428) 20.379 6.014 ( 9.155 19.091 -9.027) 23.017 6.254 ( -3.874 -2.589 1.148) 4.799 6.686 ( 3.838 29.795 -5.943) 30.623 7.037 ( 3.219 -26.752 -5.487) 27.498 7.230 ( 3.933 -6.777 6.387) 10.108 7.530 ( 4.981 6.872 -6.046) 10.421 7.769 ( -0.892 -4.749 -4.141) 6.364 7.878 ( -9.150 -5.412 4.088) 11.390 8.038 ( -24.904 -1.412 -1.691) 25.002 8.194 ( 4.196 1.898 0.621) 4.647 8.629 ( 0.052 -7.010 -6.015) 9.237 8.739 ( -0.284 0.660 -1.048) 1.271 8.917 ( -8.923 1.352 3.762) 9.778 9.262 ( -17.040 1.659 -1.040) 17.152 10.307 ( -5.239 0.325 -6.238) 8.153 10.487 ( -6.465 -0.922 0.345) 6.539 11.821 ( 11.809 4.676 -0.747) 12.723 12.205 ( 1.786 -1.465 6.898) 7.275 12.458 ( 7.299 1.078 1.460) 7.521 13.145 ( -7.601 -0.668 0.949) 7.689 14.864 ( 4.627 -3.254 -0.368) 5.668 15.383 ( -9.928 1.090 -3.444) 10.565 22.334 ( 1.761 -0.318 0.186) 1.799 22.757 ( -11.048 2.229 -4.313) 12.067 23.543 ( 11.087 1.699 6.420) 12.924 24.112 ( 4.653 -1.689 4.404) 6.625 25.198 ( 15.806 2.841 0.008) 16.059 25.659 ( 1.027 1.164 -0.228) 1.569 25.761 ( -1.421 1.697 -1.290) 2.562 26.806 ( -18.257 -5.984 -0.371) 19.216 ======================= Grid point 152 (45/126) ======================= q-point: (-0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 14.852 -9.344 -10.195) 20.294 3.788 ( 8.028 -8.193 1.263) 11.540 3.980 ( 2.204 -10.543 0.212) 10.774 4.118 ( -3.487 2.866 7.745) 8.964 4.978 ( 22.671 -9.954 2.821) 24.921 5.060 ( 37.176 1.358 6.010) 37.683 5.946 ( 12.389 2.693 -17.948) 21.974 6.182 ( -7.301 -9.251 -2.382) 12.023 6.481 ( 5.895 -30.527 -15.375) 34.685 6.750 ( -3.173 -3.091 -17.827) 18.369 7.156 ( 2.906 1.501 -3.960) 5.136 7.567 ( -1.887 -6.176 -7.872) 10.182 7.619 ( 0.057 24.416 -2.501) 24.543 7.875 ( -3.196 -1.838 2.470) 4.438 8.190 ( -17.814 8.817 4.691) 20.423 8.237 ( -3.643 5.192 0.087) 6.343 8.441 ( 3.179 -4.384 -1.507) 5.621 8.678 ( -2.437 0.649 -5.780) 6.306 9.121 ( -13.405 7.176 5.620) 16.211 9.407 ( -10.199 11.813 2.522) 15.809 10.159 ( -1.568 0.110 -13.918) 14.007 10.534 ( -8.187 4.391 6.130) 11.130 11.956 ( 10.573 6.157 8.219) 14.739 12.293 ( -0.620 -5.480 10.501) 11.861 12.416 ( 6.871 -5.733 -1.635) 9.097 13.250 ( -7.787 5.700 7.549) 12.252 14.753 ( 4.596 -4.151 -7.156) 9.463 15.359 ( -8.972 4.205 -5.157) 11.170 22.317 ( 1.501 -1.108 -0.822) 2.038 22.775 ( -10.916 7.146 -2.350) 13.257 23.679 ( 12.024 -4.091 14.387) 19.191 24.149 ( 5.772 -5.495 6.600) 10.347 25.211 ( 12.316 -1.602 1.491) 12.509 25.698 ( 2.590 2.688 2.116) 4.290 25.797 ( -0.930 3.439 0.703) 3.631 26.706 ( -18.741 -0.661 -7.074) 20.042 ======================= Grid point 153 (46/126) ======================= q-point: (-0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 20.824 -16.187 -11.052) 28.598 3.501 ( 17.379 -18.550 -12.956) 28.531 3.852 ( 7.985 -12.369 1.448) 14.794 4.289 ( -0.192 -1.230 13.078) 13.137 4.821 ( 12.925 -13.001 -0.964) 18.358 5.214 ( 36.676 -0.821 10.365) 38.122 5.387 ( 17.929 -18.851 -42.588) 49.906 5.780 ( 0.221 -40.151 5.983) 40.594 6.141 ( -7.712 4.228 -7.161) 11.342 6.484 ( -4.308 4.882 -20.380) 21.395 6.964 ( 7.052 -9.574 -9.562) 15.258 7.417 ( -0.916 -2.216 -4.509) 5.107 7.897 ( -1.037 0.701 1.560) 2.000 8.045 ( -5.631 31.083 -0.010) 31.589 8.293 ( -7.455 10.491 0.939) 12.904 8.403 ( -7.755 1.183 4.000) 8.806 8.424 ( -2.495 3.397 2.821) 5.072 8.618 ( -10.003 3.870 -5.869) 12.226 9.302 ( -11.991 9.439 4.577) 15.932 9.461 ( -6.805 7.657 -13.771) 17.163 9.912 ( 1.952 -1.890 -16.546) 16.767 10.839 ( -10.344 12.247 17.700) 23.881 12.160 ( 14.437 -6.217 10.678) 19.002 12.282 ( 2.764 0.464 -0.087) 2.804 12.398 ( -6.465 -2.756 6.959) 9.890 13.488 ( -7.091 7.495 11.635) 15.550 14.558 ( 3.778 -4.072 -11.166) 12.471 15.323 ( -6.608 5.030 -8.525) 11.901 22.289 ( 0.894 -0.876 -0.983) 1.591 22.861 ( -10.187 9.290 -1.481) 13.866 23.873 ( 14.163 -7.613 22.802) 27.901 24.141 ( 6.847 -10.226 6.262) 13.808 25.233 ( 5.579 -2.370 5.842) 8.418 25.787 ( 4.397 4.327 2.396) 6.618 25.851 ( -1.616 1.111 2.303) 3.025 26.575 ( -16.767 5.251 -14.680) 22.895 ======================= Grid point 154 (47/126) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 24.585 -24.585 -8.436) 35.777 2.974 ( 25.316 -25.316 -16.233) 39.311 3.662 ( 14.953 -14.953 -1.497) 21.200 4.242 ( 24.395 -24.395 -49.873) 60.643 4.456 ( 4.918 -4.918 14.260) 15.866 4.735 ( 14.811 -14.811 2.394) 21.082 5.367 ( 14.547 -14.547 14.003) 24.886 5.495 ( 16.175 -16.175 11.416) 25.565 6.108 ( -8.090 8.090 -11.345) 16.113 6.252 ( -4.335 4.335 -16.863) 17.943 6.691 ( 8.707 -8.707 -9.707) 15.679 7.365 ( -3.339 3.339 -3.769) 6.042 7.950 ( -1.382 1.382 4.098) 4.540 8.317 ( -9.761 9.761 0.348) 13.809 8.404 ( 4.499 -4.499 6.160) 8.855 8.536 ( -9.230 9.230 2.531) 13.296 8.585 ( -16.234 16.234 -2.135) 23.058 8.613 ( -12.259 12.259 -4.908) 18.018 9.258 ( -4.904 4.904 -22.503) 23.548 9.497 ( -8.095 8.095 2.323) 11.682 9.668 ( 0.970 -0.970 -10.061) 10.154 11.298 ( -12.880 12.880 18.638) 26.060 12.026 ( 14.472 -14.472 0.009) 20.466 12.415 ( -4.664 4.664 -1.363) 6.735 12.483 ( -1.922 1.922 9.313) 9.701 13.780 ( -6.816 6.816 13.875) 16.895 14.323 ( 4.390 -4.390 -12.320) 13.796 15.237 ( -4.542 4.542 -11.667) 13.318 22.265 ( 0.555 -0.555 -0.954) 1.235 22.977 ( -9.961 9.961 -0.468) 14.095 24.049 ( 8.830 -8.830 1.461) 12.573 24.178 ( 13.550 -13.550 35.362) 40.220 25.324 ( 1.609 -1.609 9.643) 9.908 25.808 ( 0.644 -0.644 -3.301) 3.425 25.943 ( -1.980 1.980 6.500) 7.077 26.410 ( -11.345 11.345 -22.518) 27.649 ======================= Grid point 156 (48/126) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 19.732 -45.012 -0.000) 49.148 1.942 ( 40.735 -13.692 -0.000) 42.975 2.843 ( 62.105 -4.586 -0.000) 62.274 3.271 ( 24.255 -7.762 -0.000) 25.467 4.540 ( 10.318 -4.065 -0.000) 11.090 4.552 ( 11.842 -5.105 -0.000) 12.895 5.199 ( 5.031 -10.030 -0.000) 11.221 5.633 ( 26.050 -1.457 -0.000) 26.091 5.942 ( -9.269 4.904 0.000) 10.486 6.164 ( -2.211 0.126 0.000) 2.215 6.370 ( 9.856 -1.349 -0.000) 9.947 7.500 ( -3.556 11.263 0.000) 11.811 8.191 ( -7.889 -9.447 -0.000) 12.308 8.385 ( -7.034 1.797 0.000) 7.260 8.473 ( -6.323 0.069 0.000) 6.324 8.584 ( -19.617 1.966 0.000) 19.715 8.719 ( -8.655 3.688 0.000) 9.408 8.815 ( -8.173 -2.129 0.000) 8.446 8.957 ( -7.122 8.704 0.000) 11.246 9.446 ( -0.491 3.562 0.000) 3.596 9.839 ( -10.104 4.979 0.000) 11.265 11.692 ( 17.411 -5.647 -0.000) 18.304 11.961 ( -27.622 4.174 0.000) 27.936 12.255 ( 5.736 -0.027 -0.000) 5.737 12.772 ( 3.759 5.189 0.000) 6.407 13.895 ( 6.482 -5.668 -0.000) 8.611 14.245 ( -3.462 3.284 0.000) 4.772 15.054 ( -2.384 1.943 0.000) 3.076 22.233 ( -0.232 -0.318 -0.000) 0.393 23.256 ( -11.325 9.251 0.000) 14.623 23.769 ( 1.263 -10.472 -0.000) 10.548 25.026 ( 16.918 -1.783 -0.000) 17.012 25.314 ( -16.781 -9.269 0.000) 19.171 25.582 ( 0.254 -0.467 -0.000) 0.531 26.027 ( -0.521 5.030 0.000) 5.057 26.272 ( 2.447 8.088 0.000) 8.450 ======================= Grid point 157 (49/126) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 22.088 -0.000 20.352) 30.035 1.990 ( 39.357 0.000 17.258) 42.975 3.072 ( 56.922 -0.000 33.809) 66.205 3.240 ( 24.107 0.000 3.096) 24.305 4.465 ( 10.021 0.000 -6.047) 11.704 4.484 ( 11.974 0.000 -4.270) 12.713 5.005 ( 3.303 0.000 -15.316) 15.668 5.575 ( 26.799 0.000 -6.068) 27.477 6.098 ( -8.505 -0.000 15.730) 17.882 6.181 ( -1.714 -0.000 2.170) 2.766 6.403 ( 11.021 0.000 4.921) 12.070 7.663 ( -2.696 -0.000 7.684) 8.144 7.880 ( -3.631 0.000 -19.679) 20.011 8.290 ( 1.819 0.000 -5.862) 6.138 8.569 ( -17.505 -0.000 -2.740) 17.718 8.621 ( -23.619 -0.000 6.617) 24.528 8.725 ( -2.762 0.000 -3.823) 4.716 9.013 ( -9.847 -0.000 24.594) 26.492 9.091 ( -6.959 -0.000 8.491) 10.979 9.505 ( -1.321 -0.000 4.163) 4.368 9.859 ( -9.241 -0.000 -1.936) 9.441 11.660 ( 17.557 0.000 0.263) 17.559 11.818 ( -17.644 0.000 -16.205) 23.956 12.389 ( -9.341 -0.000 9.670) 13.445 12.765 ( 3.919 0.000 -6.077) 7.231 13.952 ( -1.194 -0.000 10.624) 10.691 14.183 ( -0.386 0.000 -7.704) 7.714 15.171 ( -2.624 -0.000 11.897) 12.183 22.240 ( -0.427 -0.000 1.130) 1.208 23.321 ( -11.337 -0.000 -1.511) 11.438 23.676 ( 1.076 0.000 -1.030) 1.489 24.446 ( 22.670 0.000 -46.996) 52.178 25.403 ( -2.595 0.000 -3.532) 4.383 25.605 ( -4.845 -0.000 8.020) 9.370 26.070 ( -3.244 0.000 -2.599) 4.157 26.500 ( -2.049 -0.000 20.433) 20.535 ======================= Grid point 161 (50/126) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 2.533 2.533 -3.209) 4.810 3.712 ( 4.876 4.876 9.458) 11.705 3.869 ( -1.782 -1.782 6.387) 6.866 4.161 ( -3.473 -3.473 2.872) 5.690 5.127 ( 15.006 15.006 3.596) 21.524 5.561 ( 22.091 22.091 1.487) 31.276 5.668 ( 19.553 19.553 -1.005) 27.671 6.238 ( -3.333 -3.333 0.124) 4.716 6.515 ( 16.017 16.017 -15.838) 27.639 7.288 ( 1.768 1.768 -2.457) 3.506 7.386 ( 6.431 6.431 8.960) 12.767 7.449 ( -10.481 -10.481 -2.878) 15.099 7.693 ( -8.553 -8.553 -1.867) 12.238 7.881 ( -13.844 -13.844 -6.501) 20.630 7.921 ( -5.158 -5.158 4.361) 8.499 8.196 ( 1.342 1.342 -1.918) 2.698 8.689 ( -0.311 -0.311 -12.914) 12.922 8.714 ( 0.359 0.359 15.799) 15.807 8.902 ( -8.962 -8.962 -5.329) 13.748 9.080 ( -10.239 -10.239 -5.623) 15.534 10.267 ( -1.758 -1.758 -5.408) 5.952 10.446 ( -4.297 -4.297 -0.080) 6.077 11.870 ( 8.415 8.415 -4.089) 12.584 12.229 ( 0.123 0.123 7.622) 7.624 12.506 ( 6.791 6.791 4.160) 10.466 13.091 ( -6.328 -6.328 -1.003) 9.005 14.940 ( 0.731 0.731 2.591) 2.790 15.286 ( -5.206 -5.206 -5.792) 9.368 22.355 ( 1.396 1.396 1.217) 2.319 22.657 ( -4.527 -4.527 -5.894) 8.702 23.608 ( 8.333 8.333 5.894) 13.176 24.152 ( -0.776 -0.776 6.292) 6.387 25.309 ( 13.755 13.755 -0.344) 19.455 25.654 ( 1.325 1.325 -1.709) 2.537 25.732 ( -0.807 -0.807 -2.587) 2.827 26.715 ( -15.571 -15.571 1.576) 22.078 ======================= Grid point 162 (51/126) ======================= q-point: (-0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 13.634 -7.545 -0.684) 15.597 3.884 ( 0.018 7.062 3.080) 7.705 4.007 ( -4.992 -2.753 14.029) 15.143 4.115 ( -1.809 -6.462 0.734) 6.750 5.291 ( 16.734 2.171 -0.067) 16.874 5.612 ( 34.358 -0.213 2.198) 34.429 5.911 ( 5.877 12.237 -10.198) 16.979 6.242 ( 3.740 1.580 -4.810) 6.295 6.638 ( 7.928 24.493 -9.759) 27.532 6.929 ( -2.331 -7.878 -21.425) 22.946 7.071 ( -3.955 -23.720 -9.105) 25.714 7.454 ( -0.195 0.715 -8.838) 8.869 7.636 ( -7.073 -6.121 -9.327) 13.209 7.722 ( -25.113 7.930 5.839) 26.975 7.978 ( 5.601 -8.034 5.575) 11.269 8.187 ( -2.737 1.786 -3.684) 4.925 8.491 ( 1.525 2.508 -7.378) 7.940 8.709 ( -3.964 -7.579 -2.515) 8.915 8.933 ( -1.605 0.146 8.216) 8.372 9.116 ( -10.265 9.032 6.276) 15.044 10.156 ( 1.517 0.748 -8.287) 8.458 10.394 ( -6.992 -0.275 -0.625) 7.025 11.978 ( 8.296 8.006 3.716) 12.113 12.322 ( -3.030 -3.678 7.562) 8.938 12.623 ( 11.034 -2.007 4.679) 12.152 13.069 ( -10.022 1.016 4.778) 11.149 14.905 ( 6.122 -5.595 -3.781) 9.114 15.172 ( -9.542 3.291 -6.574) 12.045 22.372 ( 3.470 -1.324 0.173) 3.718 22.575 ( -7.507 2.906 -3.105) 8.628 23.829 ( 10.610 4.866 11.645) 16.489 24.246 ( -2.034 -5.258 11.592) 12.890 25.423 ( 19.016 4.330 -3.188) 19.762 25.684 ( 1.797 6.460 0.378) 6.715 25.717 ( -2.200 1.979 -0.113) 2.962 26.515 ( -19.995 -11.726 -3.225) 23.403 ======================= Grid point 163 (52/126) ======================= q-point: (-0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 19.103 -14.908 -0.598) 24.238 3.879 ( 8.742 -9.144 -5.166) 13.664 4.063 ( 3.721 -5.892 5.537) 8.901 4.233 ( -5.639 2.568 15.971) 17.131 5.167 ( 13.792 -11.231 -5.414) 18.592 5.681 ( 20.754 5.755 -4.018) 21.908 5.858 ( 32.434 -0.698 -10.453) 34.084 5.966 ( -6.927 -11.193 -16.398) 21.028 6.320 ( -2.245 -17.216 -13.752) 22.148 6.472 ( 2.965 -21.315 -10.361) 23.885 7.079 ( 1.222 5.987 -8.511) 10.477 7.374 ( -4.517 7.710 -10.681) 13.926 7.540 ( -6.688 19.165 -1.956) 20.393 7.862 ( -20.689 3.931 -1.089) 21.087 7.979 ( -5.039 2.238 4.191) 6.925 8.129 ( -4.380 3.856 -5.197) 7.814 8.484 ( 0.896 3.684 -4.852) 6.158 8.614 ( 0.386 -5.238 1.461) 5.451 9.049 ( -6.794 4.928 4.916) 9.727 9.259 ( -6.699 8.331 -7.312) 12.951 10.009 ( 6.638 -4.010 -8.979) 11.864 10.528 ( -11.354 11.222 9.921) 18.796 12.172 ( 5.169 8.378 5.740) 11.395 12.354 ( -7.248 -4.855 4.767) 9.941 12.587 ( 14.094 -12.813 6.152) 20.016 13.259 ( -10.271 8.739 10.073) 16.832 14.716 ( 6.828 -7.616 -7.931) 12.944 15.143 ( -8.152 6.632 -8.031) 13.226 22.337 ( 2.892 -2.541 -0.546) 3.888 22.623 ( -8.099 7.297 -0.957) 10.944 24.092 ( 13.045 2.323 17.320) 21.807 24.331 ( -0.596 -10.523 13.177) 16.874 25.383 ( 10.788 -3.335 0.078) 11.292 25.770 ( -2.793 3.325 2.065) 4.809 25.801 ( 7.214 8.905 -1.206) 11.523 26.309 ( -20.172 -4.327 -9.645) 22.775 ======================= Grid point 164 (53/126) ======================= q-point: (-0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 22.665 -22.665 -0.355) 32.055 3.570 ( 17.869 -17.869 -10.264) 27.275 4.019 ( 10.848 -10.848 3.266) 15.685 4.525 ( -0.544 0.544 18.536) 18.552 4.800 ( 16.695 -16.695 -26.266) 35.318 5.215 ( 19.808 -19.808 -13.173) 30.956 5.799 ( -8.010 8.010 -13.239) 17.424 5.830 ( 19.598 -19.598 10.988) 29.814 6.000 ( 13.281 -13.281 5.300) 19.515 6.166 ( -1.037 1.037 -13.542) 13.621 6.887 ( 5.293 -5.293 -11.418) 13.653 7.278 ( -3.628 3.628 -9.674) 10.950 7.878 ( -6.246 6.246 -1.339) 8.934 7.897 ( -18.895 18.895 -0.506) 26.727 8.131 ( -13.675 13.675 3.041) 19.577 8.189 ( -11.716 11.716 -1.393) 16.627 8.450 ( -2.963 2.963 -3.472) 5.442 8.560 ( 4.401 -4.401 -1.129) 6.325 9.132 ( -4.390 4.390 -19.305) 20.279 9.224 ( -10.362 10.362 4.090) 15.213 9.808 ( 8.361 -8.361 -5.857) 13.195 10.913 ( -15.287 15.287 14.185) 25.857 12.245 ( 0.556 -0.556 -5.906) 5.958 12.418 ( -2.817 2.817 7.638) 8.614 12.519 ( 13.388 -13.388 9.553) 21.206 13.559 ( -9.520 9.520 12.414) 18.313 14.491 ( 7.379 -7.379 -8.117) 13.221 15.092 ( -6.127 6.127 -10.496) 13.611 22.298 ( 2.001 -2.001 -0.444) 2.864 22.723 ( -8.580 8.580 -0.233) 12.136 24.290 ( 8.578 -8.578 4.375) 12.896 24.450 ( 6.783 -6.783 29.170) 30.707 25.386 ( 3.136 -3.136 6.629) 7.975 25.833 ( 1.219 -1.219 -3.225) 3.657 25.855 ( -4.750 4.750 1.087) 6.805 26.133 ( -8.655 8.655 -16.318) 20.399 ======================= Grid point 166 (54/126) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 15.728 -49.351 -0.000) 51.796 2.672 ( 34.877 -17.442 -0.000) 38.995 3.692 ( 50.668 -6.865 -0.000) 51.131 3.733 ( 24.113 -10.500 -0.000) 26.300 4.745 ( 7.825 -7.300 -0.000) 10.701 4.827 ( 13.988 -9.631 -0.000) 16.983 5.470 ( 6.417 -17.797 -0.000) 18.918 5.703 ( -11.095 9.877 0.000) 14.854 6.046 ( 30.269 -2.851 -0.000) 30.403 6.109 ( -3.065 2.885 0.000) 4.209 6.535 ( 10.376 -2.032 -0.000) 10.573 7.285 ( -5.672 10.609 0.000) 12.030 8.033 ( -22.611 -0.083 0.000) 22.611 8.122 ( -29.883 3.544 0.000) 30.092 8.365 ( -0.749 -3.306 -0.000) 3.390 8.511 ( -0.103 0.956 0.000) 0.961 8.533 ( -7.191 4.757 0.000) 8.622 8.684 ( -8.861 14.459 0.000) 16.958 8.715 ( -5.349 5.740 0.000) 7.846 9.469 ( 3.433 -5.935 -0.000) 6.857 9.593 ( -11.342 9.634 0.000) 14.881 11.500 ( -29.022 6.896 0.000) 29.830 12.006 ( 16.653 -4.577 -0.000) 17.271 12.385 ( 9.612 -5.516 -0.000) 11.082 12.730 ( 3.558 8.270 0.000) 9.003 13.957 ( -8.890 -1.509 0.000) 9.017 14.223 ( 7.657 0.210 -0.000) 7.660 14.978 ( -3.636 3.247 0.000) 4.874 22.244 ( 0.375 -1.285 -0.000) 1.338 22.975 ( -10.630 9.676 0.000) 14.375 23.966 ( 1.992 -15.043 -0.000) 15.175 25.196 ( -21.020 -10.334 0.000) 23.423 25.271 ( 16.259 -0.770 -0.000) 16.277 25.604 ( 1.339 -1.374 -0.000) 1.918 25.943 ( 1.533 8.248 0.000) 8.390 26.168 ( 1.288 10.454 0.000) 10.533 ======================= Grid point 167 (55/126) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 19.914 -33.588 11.500) 40.706 2.583 ( 36.127 -10.219 12.257) 39.494 3.626 ( 25.804 -5.630 0.870) 26.426 3.827 ( 49.541 -3.033 25.534) 55.817 4.611 ( 7.881 -2.913 -7.630) 11.350 4.689 ( 12.146 -6.254 -3.416) 14.083 5.140 ( 6.451 -9.620 -17.909) 21.328 5.920 ( 0.149 3.917 10.741) 11.434 5.995 ( 21.416 0.387 0.764) 21.434 6.153 ( -1.983 0.783 2.424) 3.228 6.578 ( 12.744 -1.470 6.958) 14.594 7.489 ( -4.750 12.633 4.872) 14.349 7.892 ( -11.561 -8.774 -8.068) 16.605 8.152 ( -30.898 1.495 -0.544) 30.939 8.317 ( -5.728 -1.761 0.115) 5.994 8.421 ( -6.884 -0.053 -3.390) 7.674 8.662 ( -4.993 2.374 -5.541) 7.827 8.891 ( -7.674 3.868 21.108) 22.791 8.929 ( -8.423 5.266 11.008) 14.827 9.479 ( 0.581 1.048 5.256) 5.390 9.692 ( -9.704 5.611 -0.691) 11.230 11.488 ( -26.539 3.113 -9.624) 28.401 11.948 ( 18.047 -5.742 0.442) 18.944 12.335 ( 1.299 0.063 -1.796) 2.218 12.788 ( 4.366 4.820 -5.362) 8.429 13.908 ( -7.875 -0.825 -3.005) 8.470 14.222 ( 7.050 0.072 0.377) 7.061 15.110 ( -3.851 2.416 11.281) 12.162 22.237 ( -0.275 -0.577 0.963) 1.155 23.097 ( -11.743 7.810 -0.087) 14.103 23.774 ( 1.021 -10.785 -1.390) 10.922 24.691 ( 6.974 -5.168 -34.308) 35.389 25.399 ( 1.411 -1.307 -0.796) 2.082 25.566 ( -2.800 -1.568 3.421) 4.691 26.009 ( -4.408 1.282 -1.726) 4.904 26.442 ( 2.864 8.861 16.184) 18.672 ======================= Grid point 168 (56/126) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 17.617 -0.000 25.077) 30.647 2.748 ( 31.604 -0.000 18.648) 36.695 3.611 ( 23.292 0.000 2.123) 23.388 4.326 ( 38.459 -0.000 42.065) 56.996 4.463 ( 9.038 0.000 -9.050) 12.790 4.568 ( 11.400 0.000 -6.430) 13.089 4.743 ( 3.633 0.000 -24.118) 24.390 5.890 ( 33.806 0.000 -6.001) 34.334 6.199 ( -1.549 -0.000 3.302) 3.647 6.296 ( -8.565 -0.000 25.250) 26.663 6.672 ( 14.138 -0.000 7.095) 15.818 7.603 ( -2.219 0.000 -11.537) 11.748 7.771 ( -1.801 -0.000 10.181) 10.340 8.148 ( -29.505 -0.000 -1.225) 29.530 8.291 ( -1.325 0.000 -2.867) 3.158 8.411 ( -14.916 -0.000 2.127) 15.067 8.600 ( -6.059 0.000 -3.953) 7.234 9.067 ( -12.234 -0.000 3.477) 12.718 9.273 ( -7.139 -0.000 22.436) 23.544 9.632 ( 0.026 -0.000 13.562) 13.562 9.723 ( -6.661 -0.000 0.275) 6.666 11.317 ( -20.144 0.000 -15.802) 25.602 11.870 ( 16.323 0.000 -4.834) 17.023 12.311 ( -7.615 -0.000 -2.058) 7.888 12.689 ( 4.243 0.000 -11.530) 12.286 13.809 ( -8.618 0.000 -10.362) 13.477 14.306 ( 4.524 -0.000 11.033) 11.924 15.323 ( -3.922 -0.000 13.462) 14.022 22.256 ( -0.561 -0.000 1.818) 1.902 23.158 ( -11.373 -0.000 0.593) 11.389 23.671 ( 1.378 0.000 -1.789) 2.258 24.135 ( 17.973 0.000 -33.331) 37.868 25.278 ( 0.723 0.000 -10.266) 10.291 25.639 ( -4.755 -0.000 5.031) 6.923 25.962 ( -3.231 0.000 -4.755) 5.748 26.764 ( -0.796 -0.000 17.131) 17.149 ======================= Grid point 173 (57/126) ======================= q-point: (-0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.858 ( 2.430 2.430 5.816) 6.755 3.859 ( 1.903 1.903 0.135) 2.694 4.112 ( -0.278 -0.278 4.135) 4.154 4.179 ( -4.944 -4.944 15.346) 16.864 5.449 ( 6.337 6.337 -3.879) 9.766 5.556 ( -0.567 -0.567 -14.114) 14.137 6.138 ( 7.134 7.134 -8.106) 12.942 6.146 ( 0.923 0.923 -13.954) 14.015 6.432 ( 8.827 8.827 -22.001) 25.296 6.766 ( 10.423 10.423 -2.893) 15.021 6.912 ( -9.269 -9.269 -2.131) 13.281 7.225 ( -9.349 -9.349 -8.014) 15.461 7.435 ( -0.660 -0.660 -9.600) 9.645 7.524 ( -8.350 -8.350 0.037) 11.808 8.014 ( 2.196 2.196 -5.923) 6.688 8.086 ( -2.801 -2.801 -4.137) 5.727 8.482 ( 3.456 3.456 0.148) 4.890 8.594 ( -4.893 -4.893 -1.819) 7.155 9.067 ( 0.911 0.911 -0.602) 1.422 9.076 ( 0.567 0.567 0.628) 1.019 10.155 ( 5.566 5.566 0.442) 7.884 10.297 ( -4.108 -4.108 0.747) 5.857 12.150 ( 6.532 6.532 5.460) 10.730 12.337 ( -6.640 -6.640 4.142) 10.264 12.870 ( 6.027 6.027 9.059) 12.439 13.032 ( -5.728 -5.728 7.711) 11.184 14.908 ( 0.941 0.941 -6.124) 6.267 14.950 ( -2.085 -2.085 -8.703) 9.189 22.424 ( 1.455 1.455 0.341) 2.086 22.467 ( -1.591 -1.591 -1.473) 2.689 24.164 ( 9.290 9.290 15.178) 20.074 24.398 ( -7.143 -7.143 16.528) 19.371 25.559 ( 8.694 8.694 -6.040) 13.698 25.647 ( -0.571 -0.571 -0.823) 1.153 25.798 ( 8.650 8.650 1.102) 12.283 26.194 ( -16.906 -16.906 -5.378) 24.507 ======================= Grid point 175 (58/126) ======================= q-point: (-0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 14.704 -14.704 1.116) 20.824 3.885 ( 4.059 -4.059 -5.339) 7.839 4.243 ( 6.259 -6.259 10.003) 13.357 4.417 ( -6.626 6.626 19.121) 21.293 5.187 ( 12.641 -12.641 -14.335) 22.915 5.508 ( -11.372 11.372 -14.477) 21.639 5.707 ( 15.089 -15.089 -18.037) 27.941 6.001 ( -6.885 6.885 -14.963) 17.852 6.391 ( 19.817 -19.817 4.079) 28.321 6.508 ( 14.080 -14.080 2.242) 20.038 6.965 ( 0.435 -0.435 -8.765) 8.787 7.103 ( -10.884 10.884 -9.748) 18.219 7.439 ( -9.859 9.859 0.710) 13.961 7.519 ( -13.911 13.911 -2.255) 19.802 7.971 ( -1.892 1.892 -3.962) 4.781 7.980 ( -3.507 3.507 -6.541) 8.209 8.465 ( 4.079 -4.079 0.054) 5.769 8.592 ( -2.850 2.850 -1.608) 4.339 9.016 ( -3.449 3.449 -2.997) 5.724 9.028 ( -2.949 2.949 -13.344) 13.980 10.101 ( 13.008 -13.008 2.015) 18.506 10.491 ( -15.434 15.434 8.511) 23.427 12.268 ( 1.833 -1.833 1.010) 2.782 12.337 ( -3.010 3.010 5.116) 6.656 12.907 ( 14.165 -14.165 9.337) 22.102 13.265 ( -12.139 12.139 10.730) 20.245 14.701 ( 7.901 -7.901 -7.765) 13.607 14.909 ( -7.342 7.342 -8.975) 13.724 22.379 ( 4.044 -4.044 -0.092) 5.719 22.520 ( -6.384 6.384 -0.024) 9.029 24.484 ( 5.191 -5.191 11.665) 13.782 24.549 ( 0.566 -0.566 21.286) 21.301 25.503 ( 5.638 -5.638 0.622) 7.997 25.685 ( -7.269 7.269 -3.957) 11.016 25.878 ( 2.192 -2.192 -3.806) 4.908 25.961 ( -4.275 4.275 -6.940) 9.204 ======================= Grid point 177 (59/126) ======================= q-point: (-0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 13.106 -40.442 -0.000) 42.513 3.326 ( 27.317 -15.540 -0.000) 31.428 4.170 ( 19.953 -9.257 -0.000) 21.995 4.357 ( 30.689 -8.420 -0.000) 31.823 4.922 ( 1.353 -8.536 -0.000) 8.643 5.181 ( 16.061 -11.825 -0.000) 19.945 5.382 ( -11.029 14.794 0.000) 18.452 5.835 ( 5.720 -23.490 -0.000) 24.177 6.000 ( -3.549 6.698 0.000) 7.580 6.511 ( 31.366 -3.380 -0.000) 31.547 6.680 ( 6.774 -0.519 -0.000) 6.794 7.075 ( -7.016 6.607 0.000) 9.637 7.671 ( -27.430 4.031 0.000) 27.724 7.687 ( -23.055 2.901 0.000) 23.237 8.265 ( -5.156 14.655 0.000) 15.535 8.306 ( -8.494 18.262 0.000) 20.140 8.467 ( 0.068 -2.013 -0.000) 2.015 8.530 ( -0.616 0.091 0.000) 0.623 8.603 ( -0.549 0.422 0.000) 0.692 9.284 ( -11.590 12.506 0.000) 17.051 9.695 ( 6.606 -16.263 -0.000) 17.553 11.003 ( -28.513 8.474 0.000) 29.746 12.233 ( 13.903 0.782 -0.000) 13.925 12.647 ( 2.919 10.408 0.000) 10.809 12.680 ( 13.366 -13.622 -0.000) 19.084 13.753 ( -13.792 6.296 0.000) 15.161 14.383 ( 8.611 -4.925 -0.000) 9.920 14.869 ( -4.854 4.395 0.000) 6.548 22.284 ( 1.655 -2.876 -0.000) 3.318 22.719 ( -9.117 8.058 0.000) 12.168 24.220 ( 1.688 -18.440 -0.000) 18.518 25.017 ( -23.082 -7.401 0.000) 24.239 25.477 ( 13.871 0.654 -0.000) 13.887 25.662 ( 4.056 -1.966 -0.000) 4.507 25.849 ( 1.990 9.155 0.000) 9.369 26.035 ( 0.669 10.902 0.000) 10.922 ======================= Grid point 178 (60/126) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 16.704 -41.976 4.309) 45.382 3.200 ( 29.810 -13.580 8.633) 33.876 4.043 ( 22.446 -5.719 -2.104) 23.259 4.429 ( 29.742 -3.216 15.899) 33.878 4.751 ( 6.651 -4.491 -6.879) 10.570 4.988 ( 12.863 -12.891 -2.469) 18.378 5.410 ( 6.785 -15.142 -17.770) 24.312 5.709 ( -8.910 8.743 16.762) 20.899 6.100 ( -1.742 3.363 3.564) 5.200 6.434 ( 32.515 -2.013 -4.223) 32.850 6.763 ( 11.174 -0.429 9.174) 14.464 7.238 ( -10.597 8.856 6.522) 15.273 7.648 ( -29.716 1.563 -1.904) 29.818 7.792 ( -18.450 -0.818 5.866) 19.377 8.255 ( -2.143 0.516 -7.329) 7.654 8.443 ( 1.056 -3.509 0.648) 3.721 8.509 ( -8.086 7.113 -4.119) 11.530 8.616 ( -8.765 14.232 5.093) 17.473 8.825 ( -4.435 0.732 20.678) 21.161 9.433 ( -9.003 10.282 -1.052) 13.707 9.558 ( 2.781 -6.806 5.343) 9.088 11.051 ( -28.989 4.980 -5.387) 29.903 12.242 ( 14.708 -1.126 0.960) 14.782 12.442 ( 8.700 -7.997 -10.789) 16.002 12.761 ( 4.852 7.878 -3.633) 9.940 13.757 ( -11.767 3.050 -6.490) 13.780 14.356 ( 8.722 -3.140 3.397) 9.873 15.005 ( -5.064 4.112 9.962) 11.908 22.255 ( 0.531 -1.979 0.638) 2.146 22.831 ( -10.604 8.267 0.187) 13.447 23.966 ( 0.283 -15.542 -2.405) 15.730 24.761 ( -8.800 -7.414 -17.996) 21.360 25.477 ( 9.141 1.231 -8.242) 12.370 25.570 ( -0.813 -2.619 0.692) 2.828 25.920 ( -5.008 2.386 -1.753) 5.818 26.352 ( 6.177 12.926 15.743) 21.286 ======================= Grid point 179 (61/126) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 16.873 -24.004 17.745) 34.290 3.213 ( 27.958 -7.786 12.602) 31.640 3.952 ( 22.637 -2.903 -2.337) 22.942 4.490 ( 0.021 -0.546 -7.130) 7.151 4.708 ( 6.635 -7.623 -7.305) 12.469 4.866 ( 23.002 -4.733 13.471) 27.073 4.942 ( 17.720 -7.856 -11.322) 22.448 6.129 ( -5.716 6.210 20.122) 21.820 6.198 ( -2.564 0.008 10.986) 11.281 6.355 ( 33.791 -0.400 -3.745) 34.000 6.878 ( 13.490 -1.458 7.449) 15.478 7.433 ( -17.489 5.933 3.084) 18.723 7.689 ( -22.229 2.919 2.214) 22.529 7.814 ( -5.698 -5.293 4.106) 8.795 8.215 ( -8.189 0.471 2.235) 8.502 8.375 ( 3.519 -3.244 -2.899) 5.596 8.498 ( -7.433 1.473 -3.252) 8.246 8.832 ( -13.028 8.314 1.808) 15.560 9.162 ( -8.002 0.966 20.606) 22.127 9.559 ( -5.832 7.466 1.914) 9.665 9.661 ( 0.530 -0.197 13.367) 13.379 10.989 ( -24.805 2.549 -9.339) 26.628 12.121 ( 10.698 -7.489 -12.237) 17.896 12.267 ( 4.090 1.377 -2.774) 5.130 12.726 ( 4.283 2.980 -10.880) 12.066 13.674 ( -9.201 2.120 -9.130) 13.135 14.404 ( 7.720 -1.833 7.680) 11.043 15.238 ( -5.333 3.157 13.350) 14.718 22.253 ( -0.301 -0.750 1.582) 1.777 22.945 ( -12.019 6.327 1.534) 13.669 23.753 ( 1.005 -8.516 -3.276) 9.180 24.339 ( 5.267 -6.191 -24.651) 25.957 25.305 ( 3.090 -0.041 -12.323) 12.705 25.602 ( -2.261 -1.374 4.131) 4.906 25.900 ( -4.699 0.970 -3.322) 5.835 26.734 ( 3.989 7.352 15.360) 17.490 ======================= Grid point 180 (62/126) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 13.763 -0.000 24.668) 28.248 3.366 ( 22.073 -0.000 14.620) 26.476 3.894 ( 18.440 0.000 -2.829) 18.655 4.368 ( -2.489 0.000 -22.480) 22.617 4.375 ( 0.906 0.000 -7.456) 7.511 4.646 ( 13.790 0.000 -10.568) 17.374 5.301 ( 14.707 -0.000 30.298) 33.679 6.240 ( 0.077 -0.000 3.593) 3.594 6.309 ( 34.576 0.000 -0.520) 34.580 6.624 ( 0.099 -0.000 28.250) 28.250 6.960 ( 12.913 0.000 5.681) 14.107 7.495 ( -6.307 -0.000 2.361) 6.734 7.647 ( -27.160 -0.000 -6.855) 28.011 7.890 ( -0.575 -0.000 6.808) 6.832 8.302 ( -0.550 0.000 -1.394) 1.498 8.313 ( -2.153 -0.000 5.802) 6.189 8.478 ( -6.273 -0.000 0.281) 6.279 8.882 ( -14.107 -0.000 -2.376) 14.305 9.414 ( -11.525 -0.000 11.020) 15.946 9.636 ( -4.468 -0.000 1.098) 4.601 9.936 ( 0.527 -0.000 21.822) 21.828 10.853 ( -16.538 0.000 -10.702) 19.699 11.846 ( 2.499 0.000 -15.961) 16.155 12.265 ( 4.189 0.000 0.732) 4.252 12.540 ( 3.812 0.000 -15.589) 16.048 13.545 ( -6.977 0.000 -9.898) 12.109 14.524 ( 4.701 -0.000 9.495) 10.595 15.450 ( -4.685 -0.000 11.284) 12.218 22.277 ( -0.604 -0.000 1.967) 2.057 23.033 ( -12.375 -0.000 4.040) 13.018 23.661 ( 1.446 0.000 -2.153) 2.593 23.910 ( 12.411 0.000 -24.951) 27.868 25.137 ( 1.007 0.000 -9.877) 9.928 25.637 ( -2.586 -0.000 1.751) 3.123 25.859 ( -3.480 0.000 -2.748) 4.434 26.984 ( 1.968 -0.000 11.329) 11.499 ======================= Grid point 188 (63/126) ======================= q-point: (-0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 7.931 -17.235 -0.000) 18.972 3.761 ( 12.109 -5.434 -0.000) 13.272 4.522 ( 12.446 -10.810 -0.000) 16.485 4.696 ( -0.857 -8.117 -0.000) 8.162 4.988 ( -4.064 -4.211 -0.000) 5.852 5.052 ( -3.194 14.796 0.000) 15.137 5.546 ( 15.520 -9.150 -0.000) 18.016 5.824 ( -4.984 11.367 0.000) 12.412 6.245 ( 4.086 -26.491 -0.000) 26.804 6.612 ( -17.082 2.947 0.000) 17.334 6.935 ( 24.537 1.044 -0.000) 24.559 7.007 ( 7.188 2.947 -0.000) 7.768 7.336 ( -14.538 -0.285 0.000) 14.541 7.393 ( -12.780 3.686 0.000) 13.301 7.984 ( -0.900 14.578 0.000) 14.606 7.989 ( -2.614 13.443 0.000) 13.695 8.501 ( 0.225 -1.976 -0.000) 1.989 8.522 ( -0.995 -0.074 0.000) 0.998 8.703 ( 7.584 -6.928 -0.000) 10.272 8.962 ( -10.443 12.155 0.000) 16.025 10.062 ( 8.317 -22.426 -0.000) 23.919 10.512 ( -26.310 8.936 0.000) 27.787 12.391 ( 12.932 2.043 -0.000) 13.092 12.530 ( 2.375 11.971 0.000) 12.205 13.066 ( 13.043 -15.834 -0.000) 20.514 13.440 ( -15.388 10.448 0.000) 18.599 14.564 ( 7.017 -5.942 -0.000) 9.195 14.729 ( -5.728 5.614 0.000) 8.021 22.371 ( 3.543 -4.910 -0.000) 6.055 22.515 ( -7.101 5.807 0.000) 9.173 24.500 ( -0.080 -21.082 -0.000) 21.082 24.777 ( -22.823 -3.331 0.000) 23.065 25.629 ( 10.189 0.618 -0.000) 10.207 25.747 ( 0.883 8.915 0.000) 8.958 25.766 ( 8.373 -0.713 -0.000) 8.403 25.897 ( 0.514 10.548 0.000) 10.561 ======================= Grid point 189 (64/126) ======================= q-point: (-0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 13.542 -35.764 0.313) 38.243 3.707 ( 19.382 -9.486 5.575) 22.287 4.295 ( 3.284 -0.626 -9.785) 10.340 4.684 ( 7.645 -5.207 -3.122) 9.763 4.957 ( 13.081 -2.516 10.082) 16.706 5.353 ( 12.359 -12.886 -2.216) 17.992 5.396 ( -10.277 10.371 15.642) 21.397 5.786 ( 4.730 -21.423 -14.530) 26.315 6.013 ( -0.679 6.924 6.075) 9.237 6.711 ( -17.165 4.259 0.974) 17.712 6.913 ( 28.150 -1.337 2.025) 28.254 7.083 ( 3.645 -0.371 6.784) 7.710 7.306 ( -13.427 2.954 0.436) 13.755 7.575 ( -12.786 0.808 13.702) 18.758 8.165 ( -5.823 10.827 -2.328) 12.512 8.202 ( -4.971 17.461 -0.888) 18.177 8.448 ( 0.660 -1.277 -3.257) 3.560 8.528 ( 2.036 -2.716 5.277) 6.275 8.784 ( -1.259 -1.144 15.711) 15.803 9.138 ( -9.361 13.118 0.066) 16.116 9.784 ( 5.311 -16.924 1.282) 17.784 10.590 ( -27.456 5.917 -2.620) 28.208 12.384 ( 11.408 3.699 -6.471) 13.627 12.644 ( 5.817 5.483 -5.980) 9.983 12.815 ( 10.301 -10.003 -5.368) 15.330 13.518 ( -12.722 7.228 -5.075) 15.487 14.527 ( 7.777 -5.243 4.750) 10.514 14.865 ( -5.923 5.402 8.189) 11.459 22.312 ( 2.056 -4.019 0.296) 4.524 22.599 ( -8.694 6.491 0.172) 10.852 24.183 ( -1.998 -17.297 -5.606) 18.292 24.683 ( -16.312 -7.488 -4.186) 18.430 25.577 ( 9.795 4.135 -18.179) 21.060 25.618 ( 2.331 -3.100 0.982) 4.001 25.815 ( -5.020 2.854 -1.405) 5.943 26.272 ( 9.084 13.684 17.058) 23.680 ======================= Grid point 190 (65/126) ======================= q-point: (-0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 14.602 -33.072 8.435) 37.123 3.672 ( 20.497 -9.720 7.511) 23.896 4.205 ( 6.687 2.595 -6.012) 9.359 4.500 ( 3.006 -4.032 -9.982) 11.177 4.962 ( 6.473 -16.148 -8.822) 19.506 5.150 ( 9.151 -8.356 -8.075) 14.791 5.295 ( 12.445 -8.302 1.062) 14.998 5.947 ( -3.639 9.104 31.339) 32.837 6.171 ( 0.172 2.390 6.921) 7.324 6.678 ( -10.429 -0.445 -5.084) 11.610 6.990 ( 13.385 2.371 4.016) 14.174 7.174 ( 1.946 -2.422 7.297) 7.931 7.468 ( -4.550 6.086 11.010) 13.377 7.777 ( -7.402 -1.934 13.514) 15.529 8.176 ( 1.995 1.752 -3.949) 4.759 8.354 ( -6.190 4.583 -2.116) 7.987 8.439 ( -4.444 3.602 -1.687) 5.964 8.587 ( -1.293 1.338 4.667) 5.025 9.042 ( -7.443 0.870 16.448) 18.074 9.325 ( -6.663 13.509 1.398) 15.128 9.719 ( 2.631 -5.386 11.126) 12.638 10.605 ( -24.752 3.638 -3.574) 25.272 12.241 ( 2.912 -0.692 -18.590) 18.829 12.465 ( 12.766 -7.580 -3.576) 15.271 12.732 ( 4.608 4.486 -9.440) 11.422 13.503 ( -8.758 4.939 -7.498) 12.543 14.555 ( 8.349 -4.145 7.336) 11.862 15.099 ( -6.392 5.457 12.380) 14.963 22.276 ( 0.717 -2.576 1.089) 2.887 22.699 ( -10.446 6.683 1.420) 12.482 23.895 ( -0.989 -11.339 -6.450) 13.083 24.440 ( -5.815 -9.662 -12.259) 16.657 25.353 ( 4.312 0.851 -15.105) 15.732 25.612 ( 0.648 -1.400 1.457) 2.121 25.817 ( -4.382 1.857 -2.318) 5.294 26.684 ( 7.859 11.372 14.520) 20.048 ======================= Grid point 191 (66/126) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 12.658 -16.818 18.587) 28.082 3.679 ( 17.340 -5.360 7.547) 19.657 4.142 ( 15.244 0.703 -6.908) 16.751 4.332 ( -2.645 0.089 -7.914) 8.345 4.452 ( -1.500 -15.490 -21.372) 26.438 4.856 ( 10.058 -5.693 -13.119) 17.484 5.419 ( 0.179 -1.986 12.849) 13.003 6.253 ( 2.532 0.927 4.065) 4.878 6.521 ( -4.906 2.740 13.222) 14.367 6.682 ( -2.208 1.626 21.151) 21.328 7.087 ( 7.793 2.947 4.206) 9.333 7.226 ( 0.230 -3.856 6.177) 7.286 7.647 ( 6.480 1.139 1.231) 6.693 7.894 ( -0.370 -2.372 6.705) 7.122 8.202 ( -2.190 2.280 5.288) 6.161 8.352 ( -1.916 2.354 0.866) 3.156 8.453 ( 1.920 -1.456 1.527) 2.853 8.670 ( -9.614 3.601 0.183) 10.268 9.238 ( -11.925 1.884 6.376) 13.653 9.519 ( -4.738 8.104 3.098) 9.885 9.937 ( 0.873 0.894 20.031) 20.070 10.598 ( -18.326 1.728 -1.734) 18.489 11.894 ( 0.133 -4.300 -19.502) 19.971 12.374 ( 8.854 -1.943 -2.015) 9.285 12.581 ( 3.415 1.152 -15.378) 15.795 13.438 ( -5.916 2.589 -7.789) 10.117 14.625 ( 7.609 -2.245 7.558) 10.957 15.351 ( -6.003 3.810 12.015) 13.961 22.275 ( -0.243 -0.947 1.786) 2.037 22.821 ( -12.483 4.902 4.065) 14.013 23.701 ( 1.229 -3.049 -5.924) 6.775 24.087 ( 2.605 -9.557 -16.629) 19.356 25.161 ( 1.906 -0.371 -11.032) 11.202 25.618 ( -1.060 -0.632 1.212) 1.730 25.803 ( -3.541 0.861 -1.762) 4.048 26.992 ( 5.939 6.437 10.220) 13.459 ======================= Grid point 192 (67/126) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 9.372 -0.000 20.841) 22.851 3.748 ( 10.651 -0.000 5.708) 12.084 3.989 ( 0.666 0.000 -20.391) 20.402 4.027 ( 9.690 0.000 -10.126) 14.016 4.282 ( -1.930 0.000 -3.427) 3.933 4.630 ( 5.556 0.000 -10.170) 11.589 5.580 ( -11.994 -0.000 11.259) 16.451 6.304 ( 2.668 -0.000 2.236) 3.481 6.560 ( -18.502 -0.000 2.244) 18.638 7.108 ( 16.872 -0.000 16.180) 23.376 7.140 ( 4.380 0.000 0.844) 4.461 7.301 ( 1.386 -0.000 3.000) 3.304 7.626 ( 5.787 -0.000 6.505) 8.707 7.934 ( -1.181 -0.000 1.432) 1.856 8.318 ( 2.996 -0.000 1.747) 3.468 8.459 ( 7.335 -0.000 9.829) 12.264 8.486 ( -0.192 -0.000 6.501) 6.504 8.680 ( -9.144 -0.000 -1.073) 9.207 9.262 ( -14.093 -0.000 -5.002) 14.954 9.611 ( -2.890 -0.000 2.125) 3.587 10.266 ( -0.165 -0.000 20.831) 20.832 10.608 ( -9.641 -0.000 1.329) 9.733 11.609 ( -0.995 0.000 -13.483) 13.520 12.335 ( 3.729 0.000 -1.606) 4.060 12.339 ( 2.501 0.000 -16.536) 16.724 13.352 ( -3.224 0.000 -5.656) 6.510 14.708 ( 5.970 -0.000 5.297) 7.981 15.534 ( -4.471 -0.000 8.607) 9.699 22.297 ( -0.466 -0.000 1.684) 1.747 22.940 ( -13.933 -0.000 7.312) 15.736 23.646 ( 1.177 0.000 -2.126) 2.430 23.726 ( 8.475 0.000 -18.660) 20.494 25.021 ( 0.730 0.000 -7.052) 7.089 25.629 ( -1.439 -0.000 0.709) 1.604 25.792 ( -2.543 -0.000 -0.513) 2.594 27.155 ( 4.624 -0.000 5.650) 7.301 ======================= Grid point 199 (68/126) ======================= q-point: ( 0.55 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( -3.296 -3.296 -0.206) 4.666 3.894 ( 0.280 0.280 7.970) 7.979 4.222 ( -8.712 -8.712 -21.366) 24.664 4.837 ( 7.150 7.150 -10.161) 14.335 5.122 ( -1.844 -1.844 32.490) 32.595 5.135 ( 2.145 2.145 7.738) 8.311 5.570 ( -0.341 -0.341 -9.082) 9.095 5.922 ( 3.933 3.933 11.015) 12.340 6.097 ( -11.513 -11.513 -15.055) 22.176 6.397 ( -12.797 -12.797 -1.075) 18.130 7.107 ( 1.882 1.882 6.552) 7.072 7.190 ( 6.194 6.194 4.808) 9.992 7.261 ( 8.310 8.310 1.088) 11.802 7.446 ( -2.646 -2.646 15.592) 16.035 7.949 ( 5.214 5.214 -4.157) 8.465 8.062 ( 4.539 4.539 3.599) 7.359 8.490 ( -0.667 -0.667 -0.236) 0.972 8.573 ( 0.681 0.681 6.561) 6.632 8.865 ( 0.854 0.854 4.838) 4.987 8.877 ( 0.753 0.753 5.119) 5.229 10.085 ( -8.887 -8.887 -5.344) 13.657 10.216 ( -8.547 -8.547 3.228) 12.511 12.449 ( 7.126 7.126 -11.502) 15.293 12.612 ( 8.358 8.358 -0.023) 11.820 13.062 ( -4.836 -4.836 -12.551) 14.294 13.296 ( 0.425 0.425 0.559) 0.820 14.695 ( 0.114 0.114 6.700) 6.702 14.708 ( 0.380 0.380 5.992) 6.016 22.415 ( -1.210 -1.210 -0.641) 1.827 22.434 ( -0.994 -0.994 0.943) 1.692 24.317 ( -10.683 -10.683 -11.798) 19.168 24.591 ( -12.371 -12.371 5.309) 18.283 25.618 ( 6.837 6.837 -20.744) 22.887 25.688 ( -0.192 -0.192 -1.884) 1.903 25.729 ( -0.316 -0.316 0.493) 0.665 26.239 ( 11.920 11.920 18.142) 24.765 ======================= Grid point 201 (69/126) ======================= q-point: (-0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 11.475 -29.113 0.347) 31.295 3.947 ( -0.593 0.587 -6.406) 6.460 4.046 ( -9.808 2.405 5.502) 11.501 4.678 ( 12.334 0.884 -15.447) 19.786 5.220 ( 5.743 -4.050 -0.422) 7.040 5.302 ( -4.499 -8.055 -5.109) 10.546 5.556 ( 0.652 -21.855 -13.452) 25.671 5.841 ( 2.448 4.320 40.015) 40.322 6.114 ( -8.830 2.910 4.589) 10.368 6.244 ( -24.571 1.832 -6.249) 25.419 7.284 ( 7.984 -0.948 6.432) 10.296 7.333 ( 9.758 0.268 6.989) 12.006 7.390 ( 16.204 5.921 12.060) 21.050 7.705 ( -5.488 -1.357 19.240) 20.053 8.025 ( -6.535 13.311 -2.938) 15.117 8.178 ( -0.189 7.472 0.587) 7.498 8.446 ( 4.068 -3.286 -2.956) 6.007 8.684 ( 6.070 -2.779 8.214) 10.585 8.956 ( -3.731 -0.741 10.371) 11.046 9.051 ( -5.676 12.050 2.473) 13.547 9.874 ( 2.031 -11.202 3.760) 11.989 10.256 ( -18.879 1.895 3.122) 19.229 12.279 ( 3.941 2.235 -19.930) 20.438 12.655 ( 6.865 2.752 -6.150) 9.619 12.781 ( 2.526 -5.717 -10.276) 12.027 13.328 ( -3.891 6.045 -4.321) 8.387 14.734 ( 7.830 -5.866 8.299) 12.829 14.925 ( -6.595 6.913 10.972) 14.549 22.347 ( 2.195 -4.851 0.360) 5.337 22.498 ( -7.621 4.496 1.548) 8.982 24.005 ( -4.688 -9.465 -10.680) 15.021 24.462 ( -11.582 -11.719 -1.991) 16.597 25.389 ( 3.705 2.083 -16.716) 17.248 25.644 ( 0.562 -1.488 -1.267) 2.033 25.745 ( -1.319 2.319 -1.366) 2.997 26.649 ( 10.858 12.333 14.137) 21.677 ======================= Grid point 202 (70/126) ======================= q-point: (-0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 10.532 -23.493 8.642) 27.157 3.879 ( -1.594 -0.513 -3.008) 3.443 4.158 ( 0.662 1.526 4.817) 5.096 4.441 ( 12.056 -0.358 -16.039) 20.068 4.758 ( 0.750 -28.877 -18.203) 34.143 5.044 ( 3.291 -8.269 -14.148) 16.715 5.375 ( -10.325 -3.166 3.573) 11.375 6.084 ( -39.790 1.674 -5.446) 40.196 6.304 ( 2.875 2.440 4.397) 5.793 6.582 ( 3.140 6.934 41.720) 42.409 7.275 ( 6.717 -5.042 1.196) 8.484 7.430 ( 20.226 0.752 6.199) 21.168 7.685 ( 5.956 3.013 12.602) 14.261 7.933 ( -0.986 -2.773 12.724) 13.060 8.170 ( 0.531 6.647 3.417) 7.492 8.292 ( 0.502 9.189 -3.149) 9.726 8.344 ( -3.470 -0.000 -0.024) 3.470 8.721 ( 8.584 -6.207 5.947) 12.148 9.062 ( -8.917 2.257 1.936) 9.400 9.298 ( -5.040 13.869 4.958) 15.567 9.947 ( 1.028 -0.843 15.615) 15.672 10.346 ( -14.874 0.851 6.617) 16.302 11.952 ( 0.099 -3.385 -20.630) 20.906 12.523 ( 5.843 -3.868 -6.840) 9.792 12.603 ( 2.732 1.649 -14.191) 14.545 13.326 ( -2.697 4.584 -5.153) 7.406 14.780 ( 8.200 -4.427 7.090) 11.709 15.194 ( -6.305 6.420 12.257) 15.205 22.304 ( 0.813 -3.009 1.102) 3.306 22.599 ( -9.856 4.549 3.841) 11.514 23.757 ( -1.017 -4.434 -9.620) 10.642 24.218 ( -5.540 -12.417 -7.989) 15.770 25.191 ( 1.750 -0.167 -11.652) 11.784 25.615 ( -1.157 -0.840 -0.445) 1.498 25.753 ( -0.988 1.653 -0.997) 2.169 26.980 ( 9.092 10.113 9.559) 16.622 ======================= Grid point 203 (71/126) ======================= q-point: (-0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 7.463 -10.547 14.253) 19.237 3.838 ( -0.725 0.201 -2.592) 2.699 4.100 ( 0.404 -17.042 -19.393) 25.820 4.214 ( 10.726 -3.165 -9.954) 14.971 4.235 ( 2.511 2.326 -5.141) 6.177 4.729 ( -0.229 -7.678 -13.289) 15.349 5.388 ( -20.503 -3.754 5.480) 21.552 6.070 ( -41.086 1.081 1.336) 41.121 6.362 ( 4.261 -0.221 1.736) 4.607 7.110 ( -1.530 4.357 6.405) 7.896 7.261 ( 3.510 -3.318 9.878) 10.995 7.540 ( 22.582 1.121 6.563) 23.543 7.747 ( 7.384 -2.456 -1.598) 7.944 7.949 ( -0.119 -4.145 1.842) 4.538 8.321 ( 5.662 5.173 6.821) 10.264 8.431 ( -0.743 7.438 5.755) 9.434 8.506 ( 0.944 5.559 11.298) 12.627 8.710 ( 7.621 -6.869 4.422) 11.172 9.087 ( -7.371 2.781 -1.343) 7.992 9.517 ( -3.310 7.626 4.031) 9.239 10.241 ( -0.161 3.103 19.018) 19.270 10.469 ( -9.488 -0.097 8.472) 12.720 11.635 ( -0.398 -3.996 -13.723) 14.299 12.370 ( 1.963 -0.537 -15.706) 15.838 12.386 ( 1.364 -1.628 -7.841) 8.124 13.310 ( -0.581 2.256 -2.904) 3.723 14.821 ( 7.979 -2.204 4.180) 9.273 15.439 ( -5.178 4.054 10.309) 12.228 22.298 ( -0.105 -1.022 1.521) 1.836 22.730 ( -12.953 2.685 6.801) 14.874 23.612 ( 1.892 3.574 -8.459) 9.376 23.913 ( 0.190 -12.833 -9.411) 15.915 25.039 ( 0.837 -0.893 -7.563) 7.662 25.607 ( -2.329 -0.364 0.333) 2.380 25.764 ( -0.573 0.761 0.311) 1.002 27.197 ( 7.693 5.831 4.946) 10.847 ======================= Grid point 204 (72/126) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 0.229 -0.000 1.062) 1.087 3.715 ( 1.452 0.000 -8.334) 8.459 3.791 ( -3.908 0.000 -6.151) 7.287 4.018 ( 9.140 0.000 -10.485) 13.909 4.218 ( -1.301 0.000 -3.674) 3.898 4.481 ( -4.775 0.000 -10.169) 11.234 5.466 ( -26.813 -0.000 7.959) 27.969 6.159 ( -34.145 -0.000 10.010) 35.582 6.366 ( 4.143 0.000 -0.556) 4.180 7.074 ( -7.526 0.000 -5.735) 9.462 7.119 ( -2.366 0.000 -25.904) 26.012 7.638 ( 21.950 0.000 4.643) 22.436 7.852 ( 2.303 -0.000 13.096) 13.297 7.941 ( -0.321 -0.000 0.927) 0.981 8.406 ( 12.593 0.000 -5.416) 13.708 8.523 ( -2.683 -0.000 1.652) 3.151 8.673 ( 1.697 0.000 0.018) 1.697 8.753 ( 8.188 -0.000 10.289) 13.149 9.220 ( 8.919 -0.000 18.892) 20.892 9.617 ( -1.803 -0.000 2.804) 3.334 10.508 ( -0.225 -0.000 10.377) 10.379 10.574 ( -5.091 -0.000 5.539) 7.524 11.471 ( -0.240 0.000 -3.657) 3.665 12.145 ( 0.308 0.000 -10.625) 10.629 12.286 ( -3.387 0.000 -4.603) 5.715 13.311 ( 1.864 -0.000 1.229) 2.233 14.838 ( 7.534 0.000 -0.191) 7.537 15.592 ( -3.103 -0.000 6.184) 6.919 22.313 ( -0.170 -0.000 1.064) 1.078 22.868 ( -15.829 -0.000 9.743) 18.587 23.590 ( 6.359 0.000 -12.785) 14.279 23.630 ( 0.647 0.000 -1.703) 1.822 24.952 ( 0.272 0.000 -2.909) 2.921 25.615 ( -2.344 -0.000 1.094) 2.587 25.782 ( -0.162 -0.000 1.507) 1.515 27.278 ( 6.937 0.000 0.340) 6.945 ======================= Grid point 212 (73/126) ======================= q-point: ( 0.64 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( -6.353 -6.353 -3.759) 9.740 3.655 ( -6.361 -6.361 1.756) 9.166 4.196 ( 1.679 1.679 8.121) 8.461 4.537 ( 7.427 7.427 -20.693) 23.206 5.047 ( -8.826 -8.826 -13.439) 18.342 5.215 ( -11.366 -11.366 -2.440) 16.259 5.260 ( -13.247 -13.247 -15.075) 24.046 5.661 ( -17.816 -17.816 -2.765) 25.346 6.318 ( 5.065 5.065 5.095) 8.791 6.555 ( 5.923 5.923 41.315) 42.156 7.352 ( -3.064 -3.064 0.905) 4.426 7.562 ( 5.177 5.177 9.279) 11.819 7.819 ( 11.012 11.012 13.746) 20.772 7.897 ( 0.831 0.831 4.382) 4.537 8.036 ( 2.748 2.748 14.673) 15.179 8.206 ( 3.034 3.034 1.994) 4.732 8.396 ( -0.088 -0.088 -7.963) 7.964 8.888 ( -0.348 -0.348 6.288) 6.307 8.993 ( 3.614 3.614 0.407) 5.127 9.084 ( 3.022 3.022 6.195) 7.526 9.971 ( -0.998 -0.998 10.879) 10.970 10.224 ( -5.690 -5.690 12.546) 14.905 11.977 ( -1.136 -1.136 -20.917) 20.979 12.591 ( 2.941 2.941 -11.902) 12.608 12.617 ( -1.843 -1.843 -11.246) 11.544 13.270 ( 2.727 2.727 -3.365) 5.118 14.915 ( 0.744 0.744 5.259) 5.364 15.059 ( 1.202 1.202 14.119) 14.221 22.355 ( -1.416 -1.416 -0.590) 2.088 22.474 ( -2.275 -2.275 5.092) 6.024 23.782 ( -3.384 -3.384 -11.047) 12.040 24.266 ( -10.811 -10.811 -4.491) 15.935 25.205 ( 0.679 0.679 -11.763) 11.802 25.611 ( -1.467 -1.467 -1.314) 2.456 25.736 ( 1.562 1.562 -0.729) 2.327 26.972 ( 10.816 10.816 9.304) 17.903 ======================= Grid point 214 (74/126) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 5.860 -14.917 4.764) 16.720 3.696 ( -13.406 4.061 -2.429) 14.217 4.276 ( 6.392 1.277 -10.284) 12.176 4.288 ( 5.254 0.170 -11.563) 12.702 4.540 ( 3.118 -29.487 -13.184) 32.450 4.808 ( -6.223 -10.584 -14.450) 18.962 5.078 ( -34.236 -3.210 -5.870) 34.884 5.610 ( -25.377 -6.364 12.005) 28.785 6.420 ( 5.388 2.361 1.445) 6.057 7.021 ( -3.269 1.630 6.682) 7.616 7.331 ( -0.977 -3.945 4.783) 6.277 7.745 ( 11.615 5.001 6.021) 14.006 7.855 ( 4.222 -3.162 -4.259) 6.779 8.019 ( 0.415 -2.693 1.095) 2.936 8.280 ( 2.064 8.814 2.835) 9.486 8.382 ( 10.202 6.282 13.388) 17.967 8.448 ( 2.151 6.289 17.330) 18.561 8.829 ( -2.709 -2.889 -5.388) 6.687 9.086 ( 11.903 0.158 8.310) 14.518 9.331 ( -2.734 12.495 7.636) 14.897 10.195 ( 0.506 2.978 15.966) 16.249 10.382 ( -5.201 -2.069 13.723) 14.820 11.677 ( -1.968 -3.913 -13.541) 14.231 12.398 ( 0.940 -0.402 -16.027) 16.060 12.413 ( -1.270 -2.169 -11.194) 11.473 13.281 ( 2.058 3.217 -0.801) 3.902 14.957 ( 5.887 -2.131 3.015) 6.949 15.311 ( -2.793 4.921 12.153) 13.405 22.323 ( 0.198 -2.085 0.310) 2.117 22.557 ( -8.326 -0.098 7.237) 11.032 23.602 ( 0.548 0.715 -10.075) 10.115 24.039 ( -6.282 -11.233 -5.646) 14.054 25.059 ( -0.035 -0.975 -7.485) 7.548 25.581 ( -2.371 -1.086 -0.154) 2.612 25.755 ( 1.230 1.379 0.512) 1.917 27.211 ( 9.461 9.057 4.602) 13.882 ======================= Grid point 215 (75/126) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.078 -7.863 -6.284) 10.066 3.664 ( -11.307 1.887 -8.221) 14.107 3.873 ( 1.235 -15.207 -10.318) 18.419 4.150 ( 6.316 -2.049 -10.711) 12.602 4.218 ( 4.263 -1.584 -8.418) 9.568 4.467 ( -8.582 -9.379 -12.796) 18.038 5.021 ( -38.402 -0.388 1.656) 38.440 5.803 ( -21.601 -4.464 23.569) 32.280 6.431 ( 4.944 0.058 -1.595) 5.195 6.958 ( -10.073 -1.389 -8.128) 13.018 7.078 ( -6.757 -4.045 -32.169) 33.119 7.808 ( 6.707 1.550 2.417) 7.296 7.912 ( 6.552 3.570 4.663) 8.799 7.972 ( 1.340 -3.700 -0.307) 3.947 8.447 ( 3.542 6.029 4.071) 8.091 8.599 ( 8.580 0.392 -2.213) 8.869 8.700 ( 6.009 0.573 5.960) 8.483 8.844 ( 9.318 5.814 13.027) 17.039 9.333 ( 10.526 5.398 21.895) 24.887 9.570 ( 0.134 3.035 9.479) 9.955 10.458 ( -0.563 4.579 9.770) 10.805 10.534 ( -2.418 -1.134 8.410) 8.824 11.492 ( -1.763 -3.987 -3.705) 5.721 12.157 ( -0.145 -1.532 -12.043) 12.141 12.242 ( -4.450 -1.500 -7.600) 8.934 13.331 ( 2.817 1.811 2.849) 4.397 14.956 ( 7.901 -0.912 -0.457) 7.967 15.524 ( -2.655 3.437 8.227) 9.303 22.315 ( 0.013 -0.534 0.820) 0.979 22.668 ( -13.586 -1.371 8.640) 16.159 23.519 ( 3.227 7.341 -8.015) 11.337 23.802 ( -1.526 -12.151 -4.671) 13.107 24.963 ( -0.057 -1.082 -3.203) 3.382 25.580 ( -2.954 -0.580 1.560) 3.390 25.784 ( 0.953 0.622 1.517) 1.896 27.346 ( 8.685 5.424 0.078) 10.240 ======================= Grid point 216 (76/126) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -5.411 0.000 -24.541) 25.130 3.465 ( -15.576 0.000 -19.894) 25.266 3.704 ( -1.275 0.000 -5.923) 6.058 4.055 ( 8.774 0.000 2.162) 9.037 4.117 ( -4.807 0.000 -3.344) 5.856 4.238 ( -11.114 -0.000 -5.149) 12.249 5.083 ( -38.176 -0.000 5.813) 38.616 6.126 ( -8.179 -0.000 10.171) 13.052 6.393 ( 3.847 0.000 -3.193) 4.999 6.467 ( -18.050 0.000 -29.902) 34.927 6.828 ( -11.474 0.000 -8.217) 14.113 7.793 ( 8.345 0.000 -11.498) 14.207 7.935 ( -1.518 -0.000 -0.149) 1.525 7.968 ( -2.891 -0.000 1.921) 3.471 8.489 ( 11.382 0.000 -3.930) 12.041 8.555 ( 1.352 -0.000 3.473) 3.727 8.788 ( 18.963 0.000 2.222) 19.093 9.064 ( 12.747 -0.000 10.380) 16.439 9.645 ( -1.114 -0.000 3.713) 3.876 9.799 ( 17.538 -0.000 22.299) 28.370 10.526 ( 0.390 0.000 -8.625) 8.634 10.606 ( -3.100 -0.000 7.025) 7.678 11.467 ( -2.640 -0.000 4.012) 4.803 12.073 ( -1.997 -0.000 3.237) 3.804 12.173 ( -5.327 -0.000 0.512) 5.351 13.415 ( 3.683 -0.000 6.726) 7.668 14.911 ( 9.706 0.000 -5.264) 11.042 15.632 ( -1.206 -0.000 2.831) 3.077 22.322 ( 0.128 -0.000 0.129) 0.182 22.790 ( -18.409 -0.000 10.293) 21.091 23.524 ( 5.665 0.000 -6.884) 8.915 23.615 ( 0.096 0.000 -0.860) 0.865 24.944 ( -0.200 -0.000 1.841) 1.852 25.613 ( -2.370 -0.000 3.466) 4.198 25.815 ( 0.508 -0.000 1.907) 1.973 27.352 ( 8.612 0.000 -4.526) 9.729 ======================= Grid point 225 (77/126) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -5.682 -5.682 -11.857) 14.323 3.479 ( -5.971 -5.971 -4.287) 9.470 4.002 ( 0.461 0.461 -20.623) 20.634 4.214 ( -3.118 -3.118 -11.191) 12.029 4.410 ( -6.984 -6.984 -10.456) 14.383 4.520 ( -14.131 -14.131 -0.572) 19.992 4.545 ( -14.435 -14.435 -5.891) 21.247 5.690 ( -12.341 -12.341 29.262) 34.071 6.472 ( 2.792 2.792 -1.991) 4.422 6.887 ( -6.420 -6.420 -9.005) 12.788 7.059 ( -6.913 -6.913 -33.962) 35.341 7.842 ( 1.266 1.266 1.637) 2.426 7.923 ( 4.955 4.955 1.928) 7.268 8.015 ( 1.013 1.013 -3.758) 4.022 8.428 ( 3.562 3.562 7.995) 9.450 8.633 ( 0.223 0.223 -5.280) 5.289 8.809 ( 11.553 11.553 9.412) 18.856 8.833 ( 8.908 8.908 20.435) 24.007 9.347 ( 5.626 5.626 7.422) 10.881 9.563 ( 4.268 4.268 23.567) 24.327 10.418 ( 2.798 2.798 9.439) 10.235 10.525 ( -1.104 -1.104 8.801) 8.939 11.510 ( -3.981 -3.981 -3.565) 6.664 12.173 ( -1.194 -1.194 -12.774) 12.886 12.216 ( -3.336 -3.336 -8.570) 9.783 13.338 ( 2.770 2.770 3.390) 5.181 15.029 ( 2.903 2.903 -0.755) 4.175 15.470 ( 1.538 1.538 9.398) 9.646 22.322 ( -0.333 -0.333 0.023) 0.472 22.577 ( -7.338 -7.338 8.839) 13.632 23.492 ( 4.035 4.035 -8.254) 10.035 23.876 ( -7.433 -7.433 -3.762) 11.165 24.972 ( -0.943 -0.943 -3.185) 3.452 25.562 ( -1.865 -1.865 1.692) 3.133 25.787 ( 1.096 1.096 1.407) 2.094 27.368 ( 8.371 8.371 0.023) 11.839 ======================= Grid point 226 (78/126) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -2.913 -11.840 -25.714) 28.458 3.235 ( -18.908 -2.319 -22.357) 29.372 3.715 ( -0.958 -2.328 -15.734) 15.934 4.043 ( -4.589 -1.571 -4.037) 6.311 4.154 ( -6.886 -6.659 -8.151) 12.578 4.262 ( 3.315 -14.375 4.886) 15.541 4.601 ( -29.070 2.306 6.726) 29.927 6.072 ( -6.501 -5.836 30.432) 31.661 6.272 ( -13.119 -4.073 -48.415) 50.326 6.445 ( 3.027 0.138 -4.076) 5.079 6.706 ( -9.225 -3.636 -8.748) 13.223 7.868 ( 5.012 1.576 -7.453) 9.119 7.914 ( 1.080 3.312 -9.911) 10.505 7.947 ( -2.568 -2.510 0.887) 3.699 8.559 ( 2.617 1.241 3.894) 4.853 8.570 ( 1.565 0.655 0.992) 1.965 9.062 ( 21.606 4.756 5.857) 22.885 9.175 ( 11.483 8.703 9.365) 17.185 9.555 ( -0.477 7.576 7.246) 10.494 10.003 ( 10.103 0.574 25.331) 27.278 10.493 ( 0.639 4.035 -7.037) 8.137 10.583 ( -2.190 -1.758 3.564) 4.538 11.455 ( -3.500 -3.559 2.857) 5.751 12.054 ( -1.727 -0.895 0.901) 2.144 12.122 ( -4.750 -2.770 2.500) 6.041 13.448 ( 2.890 1.695 7.153) 7.899 15.028 ( 7.824 2.078 -3.783) 8.935 15.602 ( 0.053 2.213 4.041) 4.608 22.322 ( 0.130 0.252 -0.049) 0.288 22.604 ( -14.406 -6.817 7.806) 17.747 23.479 ( 5.174 8.198 -4.576) 10.720 23.724 ( -2.835 -8.720 -2.004) 9.386 24.947 ( -0.566 -0.826 1.663) 1.941 25.586 ( -2.402 -1.120 4.298) 5.049 25.820 ( 0.735 0.482 1.425) 1.674 27.431 ( 8.345 5.350 -4.268) 10.792 ======================= Grid point 227 (79/126) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -5.410 0.000 -32.233) 32.684 2.810 ( -23.327 0.000 -30.561) 38.447 3.453 ( -7.597 0.000 -16.672) 18.321 4.022 ( -6.211 -0.000 1.436) 6.375 4.044 ( -7.782 -0.000 0.992) 7.845 4.305 ( 4.298 -0.000 12.843) 13.543 4.743 ( -27.474 -0.000 9.187) 28.969 5.303 ( -15.844 0.000 -64.595) 66.510 6.377 ( 2.606 0.000 -4.671) 5.349 6.556 ( -9.759 0.000 -8.165) 12.724 6.615 ( -3.206 -0.000 33.446) 33.599 7.562 ( 3.353 0.000 -25.261) 25.483 7.904 ( -1.522 0.000 -1.128) 1.894 7.949 ( -4.616 -0.000 2.456) 5.229 8.597 ( 5.853 0.000 2.394) 6.324 8.639 ( 2.508 -0.000 3.650) 4.429 9.129 ( 23.996 0.000 0.403) 24.000 9.351 ( 10.586 0.000 4.856) 11.647 9.710 ( 0.251 -0.000 6.784) 6.788 10.087 ( 12.288 0.000 -13.647) 18.364 10.287 ( 0.425 0.000 -22.482) 22.486 10.803 ( -5.495 -0.000 26.399) 26.965 11.501 ( -0.958 -0.000 6.333) 6.405 12.173 ( -2.647 -0.000 13.150) 13.414 12.212 ( -3.248 -0.000 11.903) 12.338 13.592 ( 3.114 -0.000 10.601) 11.049 14.960 ( 13.118 0.000 -8.183) 15.461 15.633 ( 0.236 0.000 -2.263) 2.276 22.319 ( 0.258 0.000 -0.972) 1.005 22.664 ( -21.457 -0.000 8.761) 23.177 23.535 ( 5.146 0.000 -1.807) 5.453 23.609 ( -0.224 -0.000 0.248) 0.335 25.001 ( -0.451 -0.000 6.340) 6.356 25.661 ( -1.829 -0.000 6.873) 7.112 25.840 ( 0.006 -0.000 0.827) 0.828 27.375 ( 9.221 0.000 -8.626) 12.627 ======================= Grid point 237 (80/126) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -7.033 -7.033 -33.650) 35.089 2.579 ( -12.573 -12.573 -31.763) 36.402 3.398 ( -4.152 -4.152 -19.614) 20.474 3.970 ( -2.776 -2.776 1.435) 4.180 4.002 ( -5.426 -5.426 0.425) 7.686 4.434 ( -4.863 -4.863 10.656) 12.683 4.461 ( -6.290 -6.290 11.703) 14.700 5.188 ( -8.989 -8.989 -68.364) 69.536 6.405 ( 0.872 0.872 -4.837) 4.992 6.480 ( -4.843 -4.843 -8.359) 10.807 6.592 ( -1.448 -1.448 37.294) 37.350 7.586 ( 2.216 2.216 -27.133) 27.314 7.894 ( -0.806 -0.806 0.262) 1.170 7.915 ( -2.596 -2.596 -0.020) 3.671 8.637 ( 2.677 2.677 3.435) 5.112 8.654 ( 1.374 1.374 4.025) 4.470 9.368 ( 9.680 9.680 2.190) 13.863 9.370 ( 9.572 9.572 0.392) 13.543 9.693 ( 1.744 1.744 10.231) 10.524 10.194 ( 5.912 5.912 -17.000) 18.945 10.273 ( 1.437 1.437 -22.219) 22.311 10.749 ( -6.574 -6.574 26.988) 28.544 11.508 ( 0.751 0.751 8.851) 8.915 12.142 ( -0.539 -0.539 12.133) 12.157 12.197 ( -3.801 -3.801 13.553) 14.580 13.613 ( 1.713 1.713 10.717) 10.988 15.064 ( 7.273 7.273 -5.150) 11.503 15.629 ( 1.159 1.159 -1.991) 2.578 22.317 ( 0.362 0.362 -0.971) 1.097 22.510 ( -12.789 -12.789 4.984) 18.760 23.519 ( 6.165 6.165 -0.866) 8.762 23.662 ( -4.023 -4.023 -0.167) 5.691 24.999 ( -0.496 -0.496 6.312) 6.351 25.647 ( -1.567 -1.567 7.536) 7.855 25.841 ( 0.287 0.287 0.274) 0.489 27.439 ( 5.947 5.947 -7.899) 11.538 ======================= Grid point 238 (81/126) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -4.246 0.000 -37.601) 37.840 1.999 ( -20.251 0.000 -36.485) 41.728 3.087 ( -7.260 0.000 -16.678) 18.190 3.951 ( -5.708 0.000 -42.747) 43.127 4.020 ( -4.611 -0.000 6.711) 8.142 4.066 ( -11.165 0.000 -28.116) 30.252 4.552 ( 1.968 -0.000 14.074) 14.211 4.662 ( -13.873 -0.000 12.605) 18.744 6.321 ( -1.318 0.000 -6.209) 6.347 6.348 ( -2.843 0.000 -5.552) 6.238 6.922 ( 3.830 0.000 -9.440) 10.187 7.371 ( -0.118 -0.000 12.870) 12.870 7.862 ( -0.582 0.000 -2.766) 2.826 7.900 ( -5.790 -0.000 0.098) 5.791 8.705 ( 3.499 -0.000 2.931) 4.564 8.718 ( 1.623 -0.000 2.896) 3.320 9.381 ( 14.617 0.000 -3.213) 14.966 9.458 ( 3.859 0.000 -3.048) 4.917 9.860 ( 2.563 -0.000 8.756) 9.123 9.888 ( 5.564 0.000 -23.814) 24.455 9.929 ( -0.023 0.000 -23.403) 23.403 11.025 ( -9.824 -0.000 15.859) 18.655 11.733 ( 8.106 -0.000 17.038) 18.868 12.357 ( -1.659 -0.000 14.558) 14.652 12.379 ( -3.733 -0.000 14.989) 15.447 13.808 ( 1.801 -0.000 13.768) 13.886 15.041 ( 16.201 0.000 -7.275) 17.759 15.563 ( 0.713 0.000 -8.096) 8.127 22.301 ( 0.179 0.000 -1.805) 1.814 22.467 ( -22.535 -0.000 5.011) 23.086 23.592 ( 3.449 0.000 0.874) 3.558 23.617 ( -0.226 -0.000 1.178) 1.199 25.117 ( -0.344 -0.000 9.675) 9.681 25.767 ( -1.031 -0.000 9.801) 9.856 25.835 ( -0.512 0.000 -1.096) 1.210 27.344 ( 7.843 0.000 -11.059) 13.557 ======================= Grid point 249 (82/126) ======================= q-point: (-0.09 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.000 0.000 -41.037) 41.037 1.256 ( -0.000 0.000 -41.037) 41.037 2.666 ( -0.000 0.000 -86.547) 86.547 2.813 ( -0.000 0.000 -12.227) 12.227 4.103 ( 0.000 -0.000 7.983) 7.983 4.103 ( 0.000 -0.000 7.983) 7.983 4.774 ( 0.000 -0.000 13.943) 13.943 4.774 ( 0.000 -0.000 13.943) 13.943 6.204 ( -0.000 0.000 -5.166) 5.166 6.281 ( -0.000 0.000 -3.576) 3.576 6.605 ( -0.000 0.000 -25.421) 25.421 7.763 ( 0.000 -0.000 26.581) 26.581 7.799 ( -0.000 0.000 -5.317) 5.317 7.799 ( -0.000 0.000 -5.317) 5.317 8.762 ( 0.000 -0.000 1.481) 1.481 8.762 ( 0.000 -0.000 1.481) 1.481 9.379 ( -0.000 0.000 -10.776) 10.776 9.379 ( -0.000 0.000 -10.776) 10.776 9.647 ( -0.000 0.000 -11.987) 11.987 9.647 ( -0.000 0.000 -11.987) 11.987 10.005 ( 0.000 -0.000 6.876) 6.876 11.110 ( 0.000 -0.000 7.265) 7.265 12.077 ( 0.000 -0.000 16.781) 16.781 12.543 ( 0.000 -0.000 11.374) 11.374 12.543 ( 0.000 -0.000 11.374) 11.374 14.043 ( 0.000 -0.000 15.688) 15.688 15.137 ( -0.000 0.000 -1.608) 1.608 15.412 ( -0.000 0.000 -12.570) 12.570 22.273 ( -0.000 0.000 -1.906) 1.906 22.273 ( -0.000 0.000 -1.906) 1.906 23.636 ( 0.000 -0.000 1.456) 1.456 23.636 ( 0.000 -0.000 1.456) 1.456 25.272 ( 0.000 -0.000 11.184) 11.184 25.791 ( -0.000 0.000 -4.108) 4.108 25.922 ( 0.000 -0.000 11.516) 11.516 27.246 ( -0.000 0.000 -10.820) 10.820 ======================= Grid point 274 (83/126) ======================= q-point: ( 0.18 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 11.997 11.997 9.711) 19.549 3.802 ( 9.378 9.378 1.397) 13.336 3.901 ( 5.637 5.637 -3.928) 8.887 4.119 ( -3.279 -3.279 -5.229) 6.989 5.040 ( 15.623 15.623 2.284) 22.213 5.598 ( 21.646 21.646 -3.826) 30.850 5.732 ( 20.242 20.242 -4.750) 29.018 6.136 ( -5.440 -5.440 5.971) 9.738 6.321 ( 15.050 15.050 43.797) 48.695 6.684 ( 0.102 0.102 10.288) 10.289 7.208 ( 6.462 6.462 9.756) 13.367 7.481 ( 1.048 1.048 2.427) 2.843 7.842 ( 0.074 0.074 -4.725) 4.726 7.913 ( -21.410 -21.410 1.095) 30.298 8.027 ( -16.354 -16.354 -4.206) 23.508 8.256 ( -3.165 -3.165 2.360) 5.059 8.436 ( 5.317 5.317 -3.873) 8.458 8.661 ( -2.853 -2.853 8.161) 9.104 9.066 ( -10.031 -10.031 -5.634) 15.263 9.425 ( -11.949 -11.949 -3.948) 17.353 10.152 ( 0.174 0.174 12.325) 12.327 10.500 ( -7.361 -7.361 -8.611) 13.510 12.141 ( 4.965 4.965 -11.608) 13.567 12.188 ( 0.137 0.137 -5.262) 5.266 12.424 ( 7.214 7.214 2.681) 10.548 13.234 ( -7.892 -7.892 -8.334) 13.929 14.760 ( 3.858 3.858 8.681) 10.253 15.321 ( -6.720 -6.720 3.647) 10.179 22.320 ( 1.594 1.594 1.028) 2.477 22.744 ( -8.928 -8.928 0.331) 12.631 23.746 ( 11.261 11.261 -15.906) 22.508 24.137 ( 2.448 2.448 -4.173) 5.423 25.293 ( 9.328 9.328 -0.066) 13.192 25.743 ( -0.163 -0.163 -4.052) 4.058 25.832 ( 0.824 0.824 -2.740) 2.978 26.544 ( -14.139 -14.139 9.860) 22.295 ======================= Grid point 275 (84/126) ======================= q-point: ( 0.27 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 8.759 5.279 8.678) 13.413 3.780 ( 4.711 -0.157 -8.049) 9.328 3.921 ( -2.499 4.011 -3.252) 5.737 4.068 ( -3.076 -2.418 2.002) 4.395 5.261 ( 19.070 9.475 2.039) 21.392 5.586 ( 44.197 -2.446 -1.792) 44.300 6.073 ( -10.642 7.406 0.373) 12.971 6.237 ( 10.060 16.346 3.188) 19.457 6.785 ( 7.093 7.172 5.063) 11.286 7.060 ( 4.448 3.171 23.260) 23.893 7.203 ( 3.939 -14.774 -3.281) 15.638 7.575 ( -14.350 10.995 1.055) 18.109 7.697 ( -4.306 -9.955 7.625) 13.259 7.761 ( -3.353 0.084 -6.873) 7.648 7.812 ( -9.690 -8.126 -4.409) 13.393 8.247 ( -0.263 -1.498 -1.614) 2.218 8.530 ( 0.689 5.465 8.546) 10.168 8.739 ( -1.231 -1.011 4.821) 5.077 8.871 ( -7.939 -6.731 -7.033) 12.562 9.096 ( -16.447 -9.247 -11.920) 22.318 10.265 ( -1.864 -0.617 3.712) 4.199 10.393 ( -6.469 -1.718 -0.028) 6.694 12.019 ( 9.872 -1.062 -4.049) 10.723 12.183 ( -0.570 2.776 -1.814) 3.364 12.549 ( 9.298 5.197 1.161) 10.715 13.049 ( -9.419 -4.827 -3.491) 11.145 14.903 ( 5.352 2.375 3.770) 6.964 15.272 ( -9.465 -3.610 0.320) 10.135 22.358 ( 2.946 1.371 0.747) 3.335 22.647 ( -9.608 -4.159 -0.517) 10.482 23.702 ( 12.696 4.599 -5.135) 14.447 24.099 ( -2.697 -0.016 -2.033) 3.377 25.438 ( 18.554 6.710 2.235) 19.856 25.691 ( 1.575 -0.730 -2.104) 2.728 25.778 ( 0.889 -1.402 -2.430) 2.943 26.506 ( -21.729 -5.622 3.571) 22.727 ======================= Grid point 281 (85/126) ======================= q-point: (-0.18 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 24.295 0.000 -0.000) 24.295 2.416 ( 40.733 0.000 -0.000) 40.733 3.579 ( 28.013 0.000 -0.000) 28.013 3.616 ( 54.861 0.000 -0.000) 54.861 4.647 ( 8.626 0.000 -0.000) 8.626 4.673 ( 11.177 0.000 -0.000) 11.177 5.228 ( 9.326 0.000 -0.000) 9.326 5.845 ( -9.984 -0.000 0.000) 9.984 6.006 ( 30.301 0.000 -0.000) 30.301 6.140 ( -1.717 -0.000 0.000) 1.717 6.513 ( 12.054 0.000 -0.000) 12.054 7.545 ( -4.578 -0.000 0.000) 4.578 7.915 ( -21.659 -0.000 0.000) 21.659 8.167 ( -30.524 -0.000 0.000) 30.524 8.306 ( -3.880 -0.000 0.000) 3.880 8.515 ( -0.243 -0.000 0.000) 0.243 8.602 ( -9.930 -0.000 0.000) 9.930 8.741 ( -2.292 -0.000 0.000) 2.292 8.893 ( -10.807 -0.000 0.000) 10.807 9.458 ( -1.119 -0.000 0.000) 1.119 9.736 ( -10.178 -0.000 0.000) 10.178 11.582 ( -31.302 -0.000 0.000) 31.302 11.904 ( 19.228 0.000 -0.000) 19.228 12.348 ( 7.917 0.000 -0.000) 7.917 12.868 ( 4.407 0.000 -0.000) 4.407 13.891 ( -2.306 -0.000 0.000) 2.306 14.256 ( 2.378 0.000 -0.000) 2.378 15.029 ( -3.494 -0.000 0.000) 3.494 22.225 ( -0.478 -0.000 0.000) 0.478 23.159 ( -13.219 -0.000 0.000) 13.219 23.701 ( 1.534 0.000 -0.000) 1.534 25.025 ( -17.214 -0.000 0.000) 17.214 25.265 ( 18.437 0.000 -0.000) 18.437 25.585 ( 1.134 0.000 -0.000) 1.134 26.023 ( -3.229 -0.000 0.000) 3.229 26.366 ( 2.322 0.000 -0.000) 2.322 ======================= Grid point 286 (86/126) ======================= q-point: (-0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 1.975 1.975 -1.301) 3.081 3.798 ( -0.552 -0.552 7.195) 7.237 3.884 ( 4.742 4.742 -0.408) 6.718 4.036 ( -5.552 -5.552 2.155) 8.142 5.514 ( 13.292 13.292 -0.195) 18.798 5.818 ( -7.717 -7.717 -3.532) 11.471 6.156 ( 20.345 20.345 -0.027) 28.772 6.379 ( 8.960 8.960 -0.957) 12.707 6.890 ( 7.678 7.678 -0.349) 10.864 7.133 ( -12.447 -12.447 -11.056) 20.787 7.141 ( -4.626 -4.626 -13.456) 14.962 7.322 ( -9.132 -9.132 6.672) 14.537 7.617 ( 2.149 2.149 -8.793) 9.303 7.662 ( -2.941 -2.941 -2.174) 4.694 7.960 ( 6.551 6.551 7.940) 12.201 8.153 ( -5.300 -5.300 -2.025) 7.763 8.662 ( -1.371 -1.371 -12.601) 12.749 8.675 ( -3.055 -3.055 0.220) 4.327 8.781 ( 1.153 1.153 9.537) 9.676 8.865 ( -5.177 -5.177 9.232) 11.783 10.255 ( 1.089 1.089 -2.851) 3.240 10.326 ( -3.971 -3.971 -0.482) 5.636 12.078 ( 6.389 6.389 -1.160) 9.109 12.199 ( -2.615 -2.615 3.746) 5.264 12.699 ( 7.418 7.418 2.612) 10.811 12.903 ( -7.450 -7.450 0.606) 10.553 15.003 ( 3.851 3.851 0.001) 5.446 15.135 ( -5.607 -5.607 -3.173) 8.541 22.415 ( 3.095 3.095 0.465) 4.401 22.523 ( -4.796 -4.796 -1.633) 6.977 23.847 ( 8.641 8.641 4.027) 12.867 24.051 ( -6.090 -6.090 4.906) 9.912 25.684 ( 0.901 0.901 -1.406) 1.897 25.696 ( 2.454 2.454 2.506) 4.281 25.769 ( 14.972 14.972 -4.403) 21.627 26.256 ( -18.049 -18.049 0.828) 25.539 ======================= Grid point 288 (87/126) ======================= q-point: (-0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 11.549 -11.549 -0.000) 16.333 3.945 ( -5.714 5.714 10.546) 13.286 3.988 ( 0.754 -0.754 -0.815) 1.342 4.003 ( 1.656 -1.656 6.292) 6.714 5.445 ( 14.173 -14.173 -4.860) 20.625 5.792 ( -10.825 10.825 -5.023) 16.112 6.158 ( 17.453 -17.453 -1.595) 24.734 6.335 ( 9.208 -9.208 -3.404) 13.459 6.712 ( 13.447 -13.447 -28.620) 34.362 6.718 ( 5.552 -5.552 -13.174) 15.336 7.171 ( -9.195 9.195 -4.328) 13.705 7.316 ( -20.248 20.248 -2.586) 28.751 7.513 ( 1.277 -1.277 -6.843) 7.077 7.630 ( -9.086 9.086 -4.746) 13.699 7.977 ( 7.916 -7.916 4.166) 11.946 8.166 ( -4.513 4.513 -4.436) 7.772 8.552 ( 1.564 -1.564 2.248) 3.154 8.592 ( -2.240 2.240 -7.694) 8.320 8.921 ( 1.767 -1.767 8.516) 8.875 9.114 ( -10.393 10.393 10.135) 17.854 10.193 ( 3.014 -3.014 -6.096) 7.439 10.316 ( -5.923 5.923 1.078) 8.446 12.186 ( 0.185 -0.185 4.560) 4.568 12.188 ( -0.066 0.066 3.299) 3.300 12.700 ( 11.280 -11.280 3.130) 16.257 12.991 ( -10.002 10.002 6.481) 15.558 14.915 ( 7.100 -7.100 -5.615) 11.504 15.121 ( -7.821 7.821 -4.188) 11.827 22.393 ( 3.871 -3.871 -0.810) 5.534 22.533 ( -6.542 6.542 -0.646) 9.274 23.996 ( 7.180 -7.180 13.533) 16.919 24.131 ( -2.767 2.767 9.292) 10.082 25.569 ( 9.348 -9.348 -4.160) 13.860 25.716 ( -2.199 2.199 0.516) 3.152 25.896 ( 5.135 -5.135 2.420) 7.655 26.162 ( -13.378 13.378 -5.311) 19.650 ======================= Grid point 292 (88/126) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 19.782 -33.565 -0.000) 38.961 2.994 ( 36.114 -7.151 -0.000) 36.816 3.991 ( 27.519 -3.708 -0.000) 27.768 4.278 ( 40.569 -0.285 -0.000) 40.570 4.746 ( 2.052 -3.367 -0.000) 3.943 4.868 ( 9.782 -8.374 -0.000) 12.877 5.431 ( 12.695 -6.648 -0.000) 14.331 5.675 ( -8.750 5.998 0.000) 10.609 6.109 ( -1.488 1.577 0.000) 2.168 6.442 ( 32.198 -1.424 -0.000) 32.230 6.682 ( 12.380 0.174 -0.000) 12.381 7.334 ( -12.764 12.241 0.000) 17.685 7.643 ( -24.849 -7.050 0.000) 25.830 7.735 ( -30.678 1.089 0.000) 30.697 8.315 ( 1.138 -3.179 -0.000) 3.377 8.498 ( -3.630 1.253 0.000) 3.840 8.514 ( -0.179 0.114 0.000) 0.212 8.678 ( -13.530 6.674 0.000) 15.086 8.691 ( -5.012 1.559 0.000) 5.249 9.453 ( 1.180 -1.318 -0.000) 1.769 9.561 ( -9.511 6.268 0.000) 11.391 11.136 ( -32.040 2.068 0.000) 32.107 12.194 ( 18.749 -3.798 -0.000) 19.130 12.473 ( 9.938 -1.212 -0.000) 10.012 12.889 ( 4.581 5.659 0.000) 7.280 13.810 ( -10.698 -0.629 0.000) 10.716 14.321 ( 6.993 -0.244 -0.000) 6.998 14.960 ( -4.565 2.011 0.000) 4.989 22.227 ( -0.227 -1.208 -0.000) 1.229 22.931 ( -12.590 6.109 0.000) 13.994 23.799 ( 1.223 -10.335 -0.000) 10.407 24.821 ( -18.745 -4.896 0.000) 19.374 25.477 ( 10.349 -0.403 -0.000) 10.357 25.643 ( 9.385 0.089 -0.000) 9.385 25.958 ( -4.848 1.343 0.000) 5.030 26.348 ( 3.370 7.618 0.000) 8.330 ======================= Grid point 293 (89/126) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 20.831 -0.000 12.960) 24.534 3.005 ( 34.720 0.000 7.674) 35.558 3.957 ( 27.510 0.000 -1.157) 27.535 4.405 ( 33.690 0.000 15.213) 36.965 4.683 ( 7.809 0.000 -3.409) 8.521 4.770 ( 7.093 0.000 -5.144) 8.762 5.217 ( 13.355 0.000 -20.233) 24.243 5.846 ( -8.713 -0.000 16.714) 18.849 6.138 ( -1.014 -0.000 2.415) 2.619 6.407 ( 32.231 0.000 -3.112) 32.381 6.754 ( 14.150 -0.000 7.696) 16.108 7.507 ( -30.735 -0.000 -2.803) 30.863 7.558 ( -4.935 -0.000 10.218) 11.347 7.757 ( -26.091 -0.000 0.893) 26.106 8.233 ( -2.294 0.000 -4.802) 5.321 8.388 ( 0.490 0.000 -2.995) 3.035 8.593 ( -7.913 0.000 -7.116) 10.642 8.823 ( -5.415 -0.000 23.996) 24.599 8.825 ( -11.825 -0.000 6.470) 13.480 9.492 ( 0.490 -0.000 6.007) 6.027 9.611 ( -8.285 -0.000 0.907) 8.334 11.113 ( -30.579 -0.000 -4.920) 30.972 12.155 ( 17.921 0.000 -1.681) 17.999 12.393 ( 6.545 0.000 -8.980) 11.112 12.882 ( 4.455 0.000 -6.217) 7.648 13.782 ( -10.169 -0.000 -3.571) 10.777 14.322 ( 7.759 0.000 1.530) 7.908 15.067 ( -5.063 -0.000 11.118) 12.216 22.226 ( -0.541 -0.000 1.037) 1.170 22.979 ( -13.506 -0.000 0.369) 13.511 23.716 ( 1.905 0.000 -1.161) 2.231 24.638 ( -8.009 0.000 -18.456) 20.119 25.498 ( 12.425 0.000 -6.658) 14.097 25.533 ( -1.026 0.000 -2.287) 2.507 25.951 ( -5.432 -0.000 -2.225) 5.870 26.544 ( 3.796 -0.000 15.635) 16.089 ======================= Grid point 303 (90/126) ======================= q-point: (-0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 15.061 -42.723 -0.000) 45.300 3.546 ( 27.983 -8.241 -0.000) 29.171 4.365 ( 18.456 -1.944 -0.000) 18.558 4.658 ( 16.578 3.215 -0.000) 16.887 4.790 ( -4.484 -7.582 -0.000) 8.809 5.177 ( 10.760 -16.720 -0.000) 19.883 5.459 ( -4.581 12.211 0.000) 13.042 5.719 ( 12.143 -10.179 -0.000) 15.845 6.051 ( -1.168 4.925 0.000) 5.062 6.763 ( -5.259 6.643 0.000) 8.473 6.899 ( 31.059 -1.959 -0.000) 31.121 7.007 ( -9.507 0.167 0.000) 9.509 7.352 ( -22.665 0.548 0.000) 22.672 7.442 ( -11.820 -0.513 0.000) 11.831 8.360 ( -13.073 10.675 0.000) 16.878 8.369 ( 1.346 3.633 0.000) 3.874 8.445 ( -1.856 2.096 0.000) 2.799 8.517 ( -1.169 -0.192 0.000) 1.184 8.598 ( -0.526 -0.149 0.000) 0.547 9.312 ( -8.891 11.904 0.000) 14.858 9.569 ( 3.807 -11.265 -0.000) 11.890 10.673 ( -30.461 3.466 0.000) 30.657 12.463 ( 16.493 1.018 -0.000) 16.525 12.686 ( 11.513 -9.845 -0.000) 15.148 12.845 ( 4.587 9.750 0.000) 10.775 13.622 ( -14.404 3.009 0.000) 14.715 14.440 ( 7.209 -2.744 -0.000) 7.714 14.854 ( -5.323 3.530 0.000) 6.387 22.259 ( 0.746 -3.228 -0.000) 3.314 22.685 ( -10.757 6.241 0.000) 12.437 23.987 ( 0.080 -15.482 -0.000) 15.482 24.633 ( -19.831 -5.474 0.000) 20.573 25.568 ( 2.299 -2.888 -0.000) 3.692 25.820 ( 16.951 2.496 -0.000) 17.134 25.860 ( -6.054 1.949 0.000) 6.360 26.267 ( 4.781 12.161 0.000) 13.067 ======================= Grid point 304 (91/126) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 17.393 -28.127 8.897) 34.246 3.481 ( 29.046 -5.158 3.745) 29.737 4.316 ( 21.041 1.089 -4.236) 21.490 4.559 ( -3.200 -3.383 -7.839) 9.118 4.907 ( 10.133 -5.805 -0.821) 11.707 4.961 ( 17.202 -5.048 11.499) 21.298 5.444 ( 14.308 -3.447 -20.099) 24.911 5.698 ( -7.196 5.571 14.488) 17.109 6.124 ( 0.323 1.523 3.540) 3.867 6.788 ( 7.589 0.519 -8.305) 11.262 6.930 ( 13.154 2.046 8.533) 15.812 7.065 ( -12.398 -0.037 3.863) 12.986 7.401 ( -13.846 4.321 7.355) 16.263 7.535 ( -12.093 -3.719 12.300) 17.645 8.269 ( 4.822 -0.860 -7.505) 8.962 8.422 ( 1.833 -2.084 -0.100) 2.777 8.438 ( -11.591 2.319 -4.267) 12.567 8.626 ( -9.771 6.435 3.612) 12.245 8.765 ( -3.949 -0.682 18.856) 19.278 9.450 ( -6.805 7.226 1.184) 9.996 9.525 ( 1.587 -2.485 6.671) 7.293 10.688 ( -29.935 1.623 -2.452) 30.079 12.424 ( 15.791 -5.379 -2.982) 16.947 12.496 ( 8.722 0.503 -13.646) 16.204 12.910 ( 4.445 4.432 -5.581) 8.400 13.626 ( -11.725 1.340 -2.951) 12.164 14.435 ( 7.437 -1.526 3.090) 8.197 14.975 ( -5.920 2.345 10.132) 11.966 22.231 ( -0.195 -1.696 0.881) 1.921 22.763 ( -12.659 4.374 0.533) 13.404 23.805 ( 1.370 -8.657 -1.674) 8.923 24.510 ( -14.235 -3.904 -8.242) 16.906 25.533 ( -0.414 -1.682 -2.186) 2.790 25.676 ( 13.773 1.824 -15.232) 20.617 25.868 ( -5.078 1.019 -1.701) 5.451 26.562 ( 5.667 6.176 16.714) 18.698 ======================= Grid point 305 (92/126) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 16.097 -0.000 18.281) 24.358 3.526 ( 24.850 0.000 7.026) 25.824 4.253 ( 23.411 0.000 -6.116) 24.197 4.423 ( -9.730 0.000 -6.514) 11.709 4.653 ( 0.365 0.000 -17.474) 17.478 5.087 ( 14.902 0.000 -21.467) 26.132 5.209 ( 19.690 -0.000 15.144) 24.840 6.092 ( -5.694 -0.000 32.388) 32.884 6.194 ( 1.878 -0.000 4.535) 4.908 6.668 ( -2.791 0.000 -6.809) 7.359 7.054 ( 12.831 0.000 5.351) 13.902 7.113 ( -7.865 -0.000 4.204) 8.918 7.605 ( -7.014 -0.000 8.449) 10.981 7.698 ( -3.541 -0.000 15.086) 15.496 8.182 ( 3.661 0.000 -2.395) 4.375 8.390 ( -9.359 -0.000 -2.477) 9.681 8.407 ( 4.555 0.000 0.303) 4.565 8.705 ( -13.004 -0.000 0.834) 13.030 9.053 ( -8.606 -0.000 18.008) 19.959 9.535 ( -5.707 -0.000 2.650) 6.292 9.673 ( 1.365 -0.000 14.840) 14.902 10.652 ( -26.418 -0.000 -3.462) 26.644 12.172 ( 5.181 0.000 -20.287) 20.938 12.401 ( 12.475 0.000 -3.311) 12.907 12.802 ( 3.955 0.000 -12.082) 12.713 13.566 ( -8.680 0.000 -6.516) 10.853 14.498 ( 7.989 -0.000 6.797) 10.489 15.179 ( -6.551 -0.000 13.722) 15.206 22.240 ( -0.590 -0.000 1.733) 1.831 22.812 ( -13.499 -0.000 1.900) 13.632 23.718 ( 2.033 0.000 -2.188) 2.987 24.292 ( -4.966 0.000 -16.403) 17.138 25.364 ( 4.211 0.000 -15.510) 16.072 25.597 ( 2.525 0.000 0.488) 2.572 25.842 ( -4.375 0.000 -2.466) 5.022 26.847 ( 5.691 -0.000 14.946) 15.993 ======================= Grid point 314 (93/126) ======================= q-point: (-0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 11.028 -34.762 -0.000) 36.469 3.850 ( 1.517 1.747 0.000) 2.314 4.479 ( -1.574 -6.737 -0.000) 6.919 4.643 ( -5.504 6.884 0.000) 8.814 4.950 ( 12.502 -7.069 -0.000) 14.362 5.221 ( -2.778 16.138 0.000) 16.376 5.581 ( 12.584 -17.387 -0.000) 21.463 5.910 ( -6.162 10.537 0.000) 12.207 6.026 ( 8.366 -15.201 -0.000) 17.352 6.389 ( -24.470 6.278 0.000) 25.262 7.063 ( 2.146 -3.401 -0.000) 4.021 7.136 ( -9.738 -1.037 0.000) 9.794 7.281 ( 21.077 1.545 -0.000) 21.133 7.369 ( 2.839 2.479 -0.000) 3.769 8.089 ( -4.371 7.107 0.000) 8.344 8.158 ( -3.680 14.480 0.000) 14.941 8.470 ( 0.143 -2.857 -0.000) 2.861 8.501 ( -1.809 -0.145 0.000) 1.814 8.735 ( 11.181 -6.234 -0.000) 12.801 9.014 ( -8.089 14.322 0.000) 16.449 9.846 ( 4.622 -20.518 -0.000) 21.032 10.230 ( -26.691 4.358 0.000) 27.045 12.630 ( 14.460 4.113 -0.000) 15.034 12.754 ( 4.499 12.566 0.000) 13.348 13.015 ( 10.543 -14.995 -0.000) 18.331 13.347 ( -15.669 7.209 0.000) 17.248 14.582 ( 6.046 -4.639 -0.000) 7.621 14.724 ( -5.451 4.791 0.000) 7.258 22.340 ( 2.417 -5.744 -0.000) 6.232 22.482 ( -8.375 4.477 0.000) 9.497 24.207 ( -1.734 -18.355 -0.000) 18.436 24.429 ( -19.756 -3.889 0.000) 20.135 25.647 ( 1.785 -4.933 -0.000) 5.246 25.749 ( -6.130 2.028 0.000) 6.457 26.003 ( 16.624 4.325 -0.000) 17.177 26.152 ( 5.201 14.887 0.000) 15.770 ======================= Grid point 315 (94/126) ======================= q-point: (-0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 13.195 -38.274 4.518) 40.736 3.871 ( 15.408 -3.138 2.695) 15.954 4.234 ( -17.000 4.102 -13.827) 22.294 4.781 ( 18.415 -6.221 -5.687) 20.252 5.083 ( 5.443 0.263 21.428) 22.110 5.246 ( 6.652 -16.176 -4.624) 18.091 5.460 ( -4.070 11.295 7.769) 14.301 5.701 ( 8.033 -5.578 -19.045) 21.410 6.089 ( -1.463 4.968 5.794) 7.771 6.401 ( -30.148 2.743 -8.722) 31.504 7.125 ( 6.631 0.435 12.298) 13.979 7.215 ( -1.043 -1.656 8.336) 8.563 7.323 ( 22.672 1.126 4.136) 23.073 7.445 ( -4.304 -1.355 10.983) 11.874 8.168 ( -10.367 5.805 -1.462) 11.971 8.344 ( -4.580 12.074 -0.876) 12.944 8.427 ( 0.892 -3.371 -1.197) 3.687 8.528 ( 3.522 -2.461 4.719) 6.382 8.759 ( 2.254 -2.342 11.329) 11.786 9.213 ( -6.686 13.387 1.222) 15.014 9.650 ( 3.330 -10.849 4.265) 12.124 10.276 ( -26.171 2.592 -0.197) 26.299 12.597 ( 10.104 3.388 -14.555) 18.039 12.709 ( 9.937 -8.598 -8.086) 15.429 12.897 ( 4.600 5.351 -4.013) 8.117 13.431 ( -11.069 4.012 0.031) 11.774 14.564 ( 6.483 -3.623 4.814) 8.851 14.849 ( -6.065 4.080 8.503) 11.213 22.275 ( 0.917 -4.298 0.607) 4.436 22.545 ( -10.311 4.248 0.511) 11.163 23.960 ( -0.429 -12.323 -3.647) 12.858 24.365 ( -16.002 -5.189 -1.862) 16.925 25.568 ( 0.271 -3.666 -3.495) 5.072 25.731 ( -3.553 1.620 -7.495) 8.451 25.858 ( 10.178 4.624 -12.499) 16.769 26.545 ( 7.866 9.311 18.573) 22.215 ======================= Grid point 316 (95/126) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 13.328 -22.101 13.337) 29.051 3.847 ( 17.349 -3.396 1.339) 17.729 4.187 ( -18.297 4.473 -2.561) 19.009 4.587 ( 18.139 -4.444 -9.766) 21.075 4.762 ( 2.671 -13.415 -19.024) 23.431 5.268 ( 9.783 0.077 -20.707) 22.902 5.369 ( 4.005 0.153 -1.883) 4.428 6.003 ( -2.852 4.579 41.894) 42.239 6.206 ( -12.471 3.410 0.115) 12.930 6.279 ( -20.947 -0.930 -4.638) 21.475 7.214 ( 9.185 -1.783 1.871) 9.542 7.336 ( 19.495 -0.116 7.078) 20.740 7.513 ( 2.933 3.018 15.759) 16.311 7.659 ( -5.511 -1.573 17.945) 18.838 8.220 ( -4.744 4.265 0.443) 6.395 8.321 ( 4.045 -4.400 -3.563) 6.958 8.457 ( -2.926 6.273 -0.602) 6.948 8.563 ( 1.477 -3.209 4.287) 5.555 8.945 ( -6.725 -0.198 13.363) 14.961 9.401 ( -5.360 8.631 3.221) 10.659 9.703 ( 1.895 -1.739 13.501) 13.744 10.304 ( -23.119 0.995 1.261) 23.175 12.253 ( 2.935 -3.106 -24.146) 24.521 12.580 ( 12.012 -1.241 -5.627) 13.323 12.835 ( 3.476 2.605 -11.832) 12.604 13.444 ( -6.876 2.118 -3.770) 8.123 14.618 ( 7.444 -2.308 7.556) 10.855 15.065 ( -7.055 2.931 13.136) 15.196 22.247 ( -0.146 -2.112 1.524) 2.609 22.611 ( -12.111 2.893 1.799) 12.581 23.784 ( 1.282 -5.334 -3.637) 6.582 24.221 ( -10.214 -4.815 -8.300) 14.014 25.406 ( 2.095 -0.308 -14.107) 14.265 25.634 ( 1.381 0.319 -4.208) 4.440 25.801 ( 0.519 1.263 -3.110) 3.397 26.898 ( 7.341 5.133 15.124) 17.578 ======================= Grid point 317 (96/126) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 11.154 -0.000 18.673) 21.750 3.841 ( 8.961 0.000 0.715) 8.989 4.228 ( -8.670 -0.000 2.530) 9.032 4.321 ( -0.215 0.000 -23.220) 23.221 4.401 ( 17.909 0.000 -13.317) 22.318 4.937 ( 6.703 0.000 -19.903) 21.001 5.344 ( -9.584 -0.000 -1.690) 9.732 6.125 ( -42.888 -0.000 -6.396) 43.362 6.316 ( 5.618 -0.000 4.102) 6.957 6.710 ( 4.989 -0.000 44.164) 44.445 7.195 ( 2.574 0.000 -1.957) 3.234 7.440 ( 24.563 0.000 7.274) 25.618 7.735 ( 3.907 -0.000 7.505) 8.461 7.844 ( -2.745 -0.000 8.446) 8.881 8.234 ( 4.151 0.000 1.418) 4.387 8.355 ( -1.390 -0.000 9.343) 9.445 8.541 ( 11.875 0.000 3.443) 12.364 8.549 ( -9.512 -0.000 1.011) 9.566 9.091 ( -10.709 -0.000 5.009) 11.823 9.515 ( -4.411 -0.000 3.768) 5.801 9.955 ( 0.825 -0.000 20.051) 20.068 10.358 ( -17.466 -0.000 5.566) 18.332 11.880 ( 1.235 0.000 -21.832) 21.867 12.476 ( 7.780 0.000 -6.920) 10.412 12.632 ( 2.874 0.000 -16.819) 17.062 13.388 ( -3.832 0.000 -5.090) 6.371 14.716 ( 8.025 -0.000 7.282) 10.837 15.288 ( -6.916 -0.000 13.219) 14.919 22.261 ( -0.540 -0.000 2.058) 2.128 22.673 ( -13.279 -0.000 3.794) 13.810 23.706 ( 1.796 0.000 -2.916) 3.425 24.012 ( -3.432 0.000 -13.633) 14.058 25.193 ( 2.568 0.000 -13.132) 13.380 25.605 ( -1.013 0.000 -0.594) 1.175 25.777 ( -0.761 0.000 -1.342) 1.543 27.123 ( 7.169 -0.000 10.226) 12.489 ======================= Grid point 325 (97/126) ======================= q-point: ( 0.55 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( -10.082 -10.082 0.292) 14.261 3.703 ( -13.693 -13.693 5.338) 20.087 4.147 ( 2.732 2.732 -18.044) 18.453 5.039 ( 7.266 7.266 -11.675) 15.553 5.099 ( 1.148 1.148 38.856) 38.890 5.221 ( 3.474 3.474 1.436) 5.119 5.546 ( -3.022 -3.022 -11.095) 11.889 5.860 ( -10.275 -10.275 2.641) 14.770 5.870 ( -4.108 -4.108 -20.590) 21.395 6.192 ( 0.472 0.472 -0.708) 0.973 7.122 ( 0.908 0.908 13.818) 13.877 7.252 ( -1.667 -1.667 15.508) 15.686 7.433 ( 1.812 1.812 2.132) 3.333 7.537 ( 9.614 9.614 5.837) 14.796 8.059 ( 2.908 2.908 -3.723) 5.547 8.148 ( 1.728 1.728 2.387) 3.415 8.468 ( -1.240 -1.240 1.578) 2.359 8.573 ( -0.845 -0.845 10.159) 10.229 8.933 ( 4.294 4.294 2.479) 6.559 8.937 ( 3.900 3.900 2.071) 5.891 9.861 ( -7.191 -7.191 -1.697) 10.310 9.965 ( -9.117 -9.117 5.136) 13.879 12.649 ( 6.280 6.280 -18.030) 20.099 12.822 ( 6.828 6.828 -2.850) 10.068 12.939 ( -3.419 -3.419 -11.696) 12.656 13.289 ( -0.863 -0.863 5.693) 5.822 14.697 ( -0.092 -0.092 7.038) 7.039 14.716 ( 0.162 0.162 6.249) 6.253 22.368 ( -2.260 -2.260 -0.325) 3.213 22.387 ( -2.477 -2.477 1.291) 3.733 24.073 ( -7.164 -7.164 -8.246) 13.063 24.261 ( -10.993 -10.993 4.048) 16.065 25.625 ( -2.465 -2.465 -6.895) 7.726 25.658 ( -1.723 -1.723 -1.237) 2.733 25.905 ( 8.741 8.741 -17.134) 21.128 26.534 ( 9.568 9.568 19.707) 23.905 ======================= Grid point 327 (98/126) ======================= q-point: (-0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 9.855 -31.536 6.180) 33.613 3.765 ( -28.551 6.314 -2.858) 29.380 4.079 ( 7.571 -0.431 4.710) 8.927 4.859 ( 13.306 -2.868 -14.661) 20.006 5.047 ( 2.795 -18.717 -17.168) 25.551 5.242 ( -7.016 3.679 -7.726) 11.066 5.427 ( 1.825 -3.319 -21.991) 22.315 5.699 ( -29.391 0.179 -9.039) 30.750 5.972 ( 3.015 6.181 43.868) 44.403 6.291 ( 5.730 3.471 6.180) 9.114 7.324 ( 1.680 -3.004 -2.266) 4.120 7.405 ( 2.061 2.270 17.456) 17.723 7.602 ( -4.867 -2.129 21.501) 22.148 7.724 ( 19.753 1.997 7.701) 21.295 8.088 ( -1.892 5.639 2.494) 6.450 8.250 ( -5.088 8.282 0.146) 9.722 8.440 ( 1.417 -4.060 -1.890) 4.697 8.707 ( 2.533 -4.040 10.149) 11.214 8.937 ( 7.076 -2.637 5.422) 9.296 9.169 ( -4.837 14.507 3.331) 15.651 9.783 ( 1.607 -6.031 8.854) 10.833 10.025 ( -15.706 -0.092 7.029) 17.207 12.315 ( 0.285 -2.338 -25.988) 26.095 12.739 ( 7.762 -1.617 -8.856) 11.887 12.824 ( 1.995 4.757 -10.784) 11.954 13.342 ( -2.432 2.428 -0.724) 3.512 14.760 ( 6.403 -4.602 8.944) 11.923 14.918 ( -6.375 4.960 11.974) 14.443 22.300 ( 0.914 -5.034 0.995) 5.213 22.430 ( -8.860 2.160 1.879) 9.311 23.866 ( -1.155 -5.330 -7.112) 8.962 24.157 ( -11.458 -8.231 -1.498) 14.187 25.433 ( 0.831 -0.518 -14.127) 14.161 25.620 ( -2.295 -0.637 -2.224) 3.259 25.815 ( 4.992 3.658 -6.776) 9.177 26.915 ( 8.352 7.827 15.287) 19.097 ======================= Grid point 328 (99/126) ======================= q-point: (-0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 8.654 -16.103 13.554) 22.758 3.775 ( -17.102 2.522 -2.681) 17.493 4.203 ( 5.828 -0.014 9.884) 11.474 4.431 ( 0.468 -15.716 -22.363) 27.337 4.649 ( 15.661 -1.273 -17.384) 23.433 5.008 ( 0.503 -1.464 -22.459) 22.512 5.157 ( -19.136 -1.593 -11.262) 22.262 5.569 ( -33.704 1.103 -7.136) 34.469 6.400 ( 6.808 0.823 4.037) 7.957 6.746 ( 6.322 6.193 42.488) 43.400 7.215 ( -3.455 -4.423 -4.301) 7.071 7.675 ( 7.312 4.172 12.626) 15.176 7.805 ( 12.023 -1.679 4.731) 13.029 7.853 ( -1.280 -5.153 14.055) 15.025 8.266 ( -1.468 4.616 2.797) 5.593 8.337 ( 2.241 -0.033 4.679) 5.188 8.400 ( -0.246 7.169 4.909) 8.692 8.751 ( 5.951 -5.478 4.915) 9.465 8.998 ( 1.095 -0.409 4.621) 4.767 9.396 ( -4.289 8.715 4.730) 10.804 9.961 ( 0.794 0.574 17.986) 18.013 10.159 ( -11.723 -0.611 11.556) 16.472 11.907 ( -0.782 -2.855 -22.432) 22.626 12.573 ( 5.579 -0.445 -11.672) 12.945 12.657 ( 2.103 1.337 -16.733) 16.918 13.342 ( -1.185 1.588 -2.456) 3.155 14.837 ( 7.049 -2.489 7.676) 10.714 15.172 ( -6.447 3.157 13.888) 15.633 22.271 ( -0.061 -2.407 1.819) 3.018 22.494 ( -10.834 1.294 3.411) 11.431 23.730 ( 1.070 -0.372 -5.631) 5.744 23.991 ( -7.062 -6.909 -6.662) 11.916 25.222 ( 1.778 0.236 -13.484) 13.603 25.583 ( -2.359 -0.460 -1.465) 2.814 25.783 ( 2.346 1.177 -2.228) 3.443 27.192 ( 7.725 4.553 10.412) 13.741 ======================= Grid point 329 (100/126) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 5.773 -0.000 12.964) 14.192 3.758 ( -12.241 -0.000 -2.644) 12.523 3.969 ( 0.528 0.000 -21.673) 21.679 4.298 ( 6.564 0.000 0.111) 6.565 4.388 ( 13.326 0.000 -17.088) 21.670 4.662 ( -2.393 0.000 -20.681) 20.819 5.017 ( -31.169 -0.000 -3.979) 31.422 5.553 ( -32.766 -0.000 5.917) 33.296 6.437 ( 6.171 0.000 0.746) 6.216 7.071 ( -7.704 0.000 -7.863) 11.009 7.265 ( 1.600 -0.000 11.543) 11.653 7.788 ( 7.912 0.000 -2.484) 8.293 7.866 ( 15.017 0.000 6.138) 16.223 7.901 ( -1.461 -0.000 3.648) 3.930 8.423 ( 6.025 -0.000 19.298) 20.217 8.429 ( -4.236 -0.000 4.337) 6.062 8.666 ( 7.318 -0.000 15.606) 17.236 8.717 ( 2.550 0.000 -2.815) 3.798 9.083 ( 5.892 -0.000 9.829) 11.460 9.524 ( -3.547 -0.000 4.466) 5.703 10.264 ( -0.059 -0.000 19.675) 19.676 10.342 ( -7.386 -0.000 13.180) 15.109 11.606 ( -0.580 0.000 -14.530) 14.541 12.388 ( 0.752 0.000 -12.136) 12.159 12.391 ( 1.356 0.000 -18.713) 18.762 13.327 ( 0.869 0.000 -0.592) 1.052 14.914 ( 7.648 -0.000 4.552) 8.900 15.393 ( -5.240 -0.000 12.255) 13.328 22.285 ( -0.352 -0.000 2.022) 2.052 22.565 ( -12.672 -0.000 5.137) 13.674 23.681 ( 1.233 0.000 -3.170) 3.401 23.798 ( -1.772 0.000 -10.236) 10.388 25.051 ( 1.269 0.000 -9.161) 9.249 25.567 ( -2.934 -0.000 -0.192) 2.941 25.776 ( 1.379 0.000 0.118) 1.384 27.341 ( 7.845 -0.000 5.355) 9.498 ======================= Grid point 338 (101/126) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( -8.161 -8.161 4.140) 12.261 3.443 ( -8.896 -8.896 6.631) 14.222 4.260 ( 3.210 3.210 9.683) 10.694 4.663 ( -5.418 -5.418 -20.991) 22.346 4.819 ( 1.109 1.109 -18.563) 18.629 4.836 ( -15.365 -15.365 -17.512) 27.907 5.064 ( -3.101 -3.101 -23.874) 24.273 5.310 ( -8.819 -8.819 -5.177) 13.504 6.448 ( 4.343 4.343 4.031) 7.347 6.738 ( 7.236 7.236 39.150) 40.465 7.223 ( -5.796 -5.796 -2.816) 8.667 7.673 ( 2.862 2.862 13.820) 14.401 7.858 ( -3.033 -3.033 15.805) 16.377 8.028 ( 5.159 5.159 3.455) 8.072 8.112 ( 2.458 2.458 4.123) 5.394 8.351 ( 6.981 6.981 13.043) 16.358 8.384 ( -1.024 -1.024 -3.225) 3.535 8.788 ( -4.837 -4.837 3.518) 7.692 9.159 ( 6.239 6.239 4.640) 9.969 9.194 ( 4.533 4.533 6.427) 9.078 9.964 ( 0.273 0.273 15.048) 15.053 10.078 ( -4.401 -4.401 15.849) 17.027 11.922 ( -2.920 -2.920 -22.541) 22.916 12.622 ( 1.848 1.848 -14.822) 15.050 12.656 ( 1.952 1.952 -15.443) 15.688 13.321 ( 1.151 1.151 -1.201) 2.023 14.934 ( 0.581 0.581 6.391) 6.443 15.075 ( 0.013 0.013 15.634) 15.634 22.311 ( -1.816 -1.816 0.580) 2.633 22.384 ( -3.953 -3.953 4.313) 7.061 23.740 ( -0.031 -0.031 -7.778) 7.779 23.993 ( -8.500 -8.500 -2.984) 12.386 25.232 ( 0.805 0.805 -13.508) 13.556 25.568 ( -1.628 -1.628 -1.412) 2.701 25.793 ( 2.449 2.449 -2.933) 4.538 27.213 ( 7.049 7.049 10.488) 14.470 ======================= Grid point 339 (102/126) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 4.036 -10.579 7.329) 13.488 3.538 ( -15.879 2.398 1.000) 16.090 4.118 ( 1.287 -18.838 -19.270) 26.978 4.377 ( 2.840 2.093 -6.567) 7.454 4.507 ( -3.327 3.594 -15.561) 16.313 4.597 ( -12.454 -0.675 -11.726) 17.119 4.659 ( -7.829 -4.993 -22.243) 24.104 5.235 ( -18.708 -5.575 10.441) 22.138 6.511 ( 4.695 0.912 0.042) 4.783 6.962 ( -6.269 -0.422 -7.962) 10.143 7.287 ( -0.098 -1.120 2.265) 2.529 7.852 ( 1.164 -1.530 -0.895) 2.121 7.873 ( -0.366 0.770 3.719) 3.815 8.069 ( 11.476 0.411 3.625) 12.042 8.338 ( -3.136 4.576 10.602) 11.965 8.503 ( 5.635 0.897 24.833) 25.480 8.668 ( 2.667 4.282 5.712) 7.621 8.760 ( 1.380 0.520 7.664) 7.805 9.239 ( 12.216 -2.053 9.407) 15.554 9.425 ( -3.437 7.158 6.427) 10.215 10.238 ( 0.253 2.302 17.833) 17.983 10.294 ( -2.743 -1.897 17.181) 17.502 11.605 ( -2.446 -2.521 -14.285) 14.711 12.395 ( 0.559 0.245 -16.561) 16.572 12.408 ( 0.649 -0.135 -18.534) 18.546 13.334 ( 1.452 1.195 0.769) 2.031 15.009 ( 4.280 -0.742 4.603) 6.329 15.319 ( -2.501 1.860 13.900) 14.245 22.296 ( -0.111 -1.871 1.575) 2.448 22.421 ( -8.739 -1.472 4.584) 9.977 23.655 ( 1.619 3.490 -6.336) 7.412 23.830 ( -4.812 -7.366 -4.549) 9.905 25.065 ( 0.758 0.182 -9.613) 9.644 25.536 ( -2.183 -0.841 -0.454) 2.383 25.792 ( 1.674 0.931 -0.372) 1.952 27.411 ( 6.832 4.270 5.705) 9.872 ======================= Grid point 340 (103/126) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -0.339 0.000 -12.623) 12.628 3.488 ( -15.183 0.000 -10.948) 18.719 3.792 ( 3.660 0.000 -4.368) 5.699 4.197 ( -6.814 0.000 -13.160) 14.819 4.254 ( -1.864 0.000 -18.542) 18.636 4.307 ( 1.958 0.000 -16.169) 16.287 4.561 ( -24.933 -0.000 0.816) 24.947 5.520 ( -15.055 -0.000 31.276) 34.710 6.494 ( 4.176 0.000 -2.608) 4.923 6.820 ( -8.806 0.000 -9.347) 12.842 6.947 ( -7.247 0.000 -39.179) 39.843 7.863 ( 1.754 -0.000 2.849) 3.345 7.909 ( -1.787 -0.000 0.767) 1.944 8.111 ( 11.745 0.000 -3.373) 12.220 8.484 ( -0.383 -0.000 6.723) 6.734 8.597 ( -3.373 0.000 -5.008) 6.038 8.934 ( 19.482 -0.000 19.779) 27.762 9.031 ( 10.490 -0.000 15.614) 18.811 9.498 ( 5.515 -0.000 29.890) 30.394 9.547 ( -3.393 -0.000 4.783) 5.864 10.482 ( -0.560 -0.000 10.026) 10.042 10.502 ( -0.188 -0.000 11.003) 11.004 11.444 ( -1.942 0.000 -4.973) 5.339 12.144 ( -0.249 0.000 -13.838) 13.841 12.181 ( -3.137 0.000 -11.277) 11.705 13.377 ( 2.210 -0.000 3.845) 4.435 15.051 ( 6.250 0.000 1.420) 6.409 15.512 ( -1.881 -0.000 9.875) 10.053 22.309 ( -0.104 -0.000 1.523) 1.526 22.476 ( -11.643 -0.000 4.789) 12.590 23.648 ( 0.572 0.000 -2.751) 2.809 23.664 ( 0.144 0.000 -6.266) 6.268 24.961 ( 0.264 0.000 -4.229) 4.237 25.537 ( -2.597 -0.000 1.479) 2.989 25.804 ( 1.183 -0.000 1.046) 1.580 27.491 ( 7.261 0.000 0.887) 7.315 ======================= Grid point 350 (104/126) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -4.352 -4.352 -14.628) 15.870 3.311 ( -5.620 -5.620 -12.136) 14.507 3.930 ( -3.928 -3.928 -9.294) 10.828 3.994 ( -8.739 -8.739 -3.628) 12.880 4.226 ( -8.162 -8.162 -20.052) 23.137 4.382 ( 2.058 2.058 -13.535) 13.844 4.398 ( 0.934 0.934 -10.142) 10.228 5.414 ( -7.635 -7.635 35.276) 36.891 6.529 ( 1.400 1.400 -2.912) 3.521 6.749 ( -3.738 -3.738 -10.097) 11.398 6.898 ( -4.413 -4.413 -41.121) 41.592 7.870 ( 0.674 0.674 1.273) 1.591 7.902 ( -1.686 -1.686 1.291) 2.711 8.203 ( 7.897 7.897 -7.069) 13.217 8.472 ( 0.709 0.709 8.612) 8.670 8.571 ( -3.637 -3.637 -2.273) 5.623 9.096 ( 8.145 8.145 15.907) 19.640 9.110 ( 10.215 10.215 30.009) 33.305 9.450 ( 1.991 1.991 5.754) 6.406 9.576 ( -3.121 -3.121 22.902) 23.324 10.478 ( 1.547 1.547 10.764) 10.984 10.501 ( -0.362 -0.362 10.778) 10.790 11.431 ( -1.933 -1.933 -4.802) 5.526 12.148 ( -0.619 -0.619 -14.504) 14.531 12.155 ( -1.267 -1.267 -12.983) 13.106 13.391 ( 1.267 1.267 4.185) 4.552 15.099 ( 2.032 2.032 2.354) 3.715 15.495 ( 0.413 0.413 10.540) 10.557 22.313 ( -0.322 -0.322 1.177) 1.262 22.388 ( -5.625 -5.625 3.840) 8.833 23.605 ( 3.530 3.530 -4.581) 6.775 23.714 ( -4.223 -4.223 -3.176) 6.764 24.963 ( 0.009 0.009 -4.503) 4.503 25.518 ( -1.273 -1.273 1.365) 2.259 25.813 ( 0.713 0.713 0.834) 1.308 27.541 ( 4.344 4.344 1.261) 6.271 ======================= Grid point 351 (105/126) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -1.278 0.000 -28.350) 28.378 2.980 ( -14.590 0.000 -27.402) 31.044 3.695 ( 0.502 0.000 -21.197) 21.203 3.969 ( -6.766 -0.000 -1.632) 6.960 3.973 ( -6.408 -0.000 -1.941) 6.695 4.251 ( 4.369 0.000 -0.194) 4.373 4.349 ( -11.178 -0.000 2.974) 11.567 5.960 ( -4.054 -0.000 40.536) 40.738 6.099 ( -7.200 0.000 -57.693) 58.140 6.478 ( 1.709 0.000 -4.501) 4.815 6.583 ( -5.126 0.000 -9.280) 10.602 7.890 ( -0.717 -0.000 0.459) 0.852 7.892 ( -1.135 -0.000 -0.032) 1.136 8.004 ( 4.092 0.000 -23.643) 23.994 8.588 ( 0.772 -0.000 6.096) 6.145 8.588 ( 0.777 -0.000 4.758) 4.821 9.377 ( 17.142 0.000 4.095) 17.624 9.378 ( 9.637 -0.000 11.122) 14.716 9.573 ( -4.545 -0.000 6.457) 7.896 10.065 ( -0.081 -0.000 39.230) 39.230 10.534 ( 0.155 0.000 -7.807) 7.809 10.535 ( -0.544 0.000 -4.405) 4.438 11.410 ( -0.793 -0.000 3.443) 3.533 12.029 ( -1.002 -0.000 0.858) 1.319 12.045 ( -3.248 -0.000 1.036) 3.409 13.488 ( 1.469 -0.000 7.537) 7.679 15.136 ( 4.752 0.000 0.128) 4.753 15.616 ( 0.269 -0.000 4.795) 4.802 22.325 ( 0.046 -0.000 0.478) 0.480 22.387 ( -8.978 -0.000 2.159) 9.234 23.611 ( 1.281 0.000 -2.456) 2.770 23.619 ( 0.102 0.000 -1.597) 1.600 24.938 ( -0.198 -0.000 1.235) 1.251 25.549 ( -1.596 -0.000 4.173) 4.468 25.832 ( 0.498 -0.000 1.030) 1.144 27.559 ( 4.875 0.000 -3.080) 5.767 ======================= Grid point 362 (106/126) ======================= q-point: (-0.18 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -0.000 0.000 -34.700) 34.700 2.397 ( -0.000 0.000 -34.700) 34.700 3.336 ( -0.000 0.000 -22.445) 22.445 3.930 ( 0.000 -0.000 1.306) 1.306 3.930 ( 0.000 -0.000 1.306) 1.306 4.377 ( 0.000 -0.000 11.055) 11.055 4.377 ( 0.000 -0.000 11.055) 11.055 5.057 ( -0.000 0.000 -72.344) 72.344 6.414 ( -0.000 0.000 -8.565) 8.565 6.416 ( -0.000 0.000 -5.004) 5.004 6.572 ( 0.000 -0.000 40.912) 40.912 7.618 ( -0.000 0.000 -28.944) 28.944 7.880 ( -0.000 0.000 -0.702) 0.702 7.880 ( -0.000 0.000 -0.702) 0.702 8.674 ( 0.000 -0.000 4.477) 4.477 8.674 ( 0.000 -0.000 4.477) 4.477 9.514 ( -0.000 0.000 -0.635) 0.635 9.514 ( -0.000 0.000 -0.635) 0.635 9.702 ( 0.000 -0.000 13.433) 13.433 10.293 ( -0.000 0.000 -22.662) 22.662 10.293 ( -0.000 0.000 -22.662) 22.662 10.617 ( 0.000 -0.000 30.508) 30.508 11.537 ( 0.000 -0.000 13.533) 13.533 12.134 ( 0.000 -0.000 12.643) 12.643 12.134 ( 0.000 -0.000 12.643) 12.643 13.636 ( 0.000 -0.000 10.872) 10.872 15.175 ( -0.000 0.000 -0.355) 0.355 15.644 ( -0.000 0.000 -1.746) 1.746 22.322 ( -0.000 0.000 -0.849) 0.849 22.322 ( -0.000 0.000 -0.849) 0.849 23.607 ( -0.000 0.000 -0.050) 0.050 23.607 ( -0.000 0.000 -0.050) 0.050 24.993 ( 0.000 -0.000 6.255) 6.255 25.623 ( 0.000 -0.000 7.431) 7.431 25.845 ( 0.000 -0.000 0.088) 0.088 27.523 ( -0.000 0.000 -6.611) 6.611 ======================= Grid point 419 (107/126) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 19.772 0.000 -0.000) 19.772 3.420 ( 32.647 0.000 -0.000) 32.647 4.349 ( 27.695 0.000 -0.000) 27.695 4.674 ( -10.188 -0.000 0.000) 10.188 4.719 ( 22.531 0.000 -0.000) 22.531 4.907 ( 6.450 0.000 -0.000) 6.450 5.598 ( 16.692 0.000 -0.000) 16.692 5.636 ( -2.754 -0.000 0.000) 2.754 6.107 ( -0.490 -0.000 0.000) 0.490 6.856 ( 12.273 0.000 -0.000) 12.273 6.869 ( 32.029 0.000 -0.000) 32.029 7.053 ( -37.650 -0.000 0.000) 37.650 7.359 ( -24.554 -0.000 0.000) 24.554 7.404 ( -5.148 -0.000 0.000) 5.148 8.328 ( 3.585 0.000 -0.000) 3.585 8.491 ( 2.448 0.000 -0.000) 2.448 8.510 ( -16.792 -0.000 0.000) 16.792 8.510 ( -0.916 0.000 0.000) 0.916 8.628 ( -6.091 -0.000 0.000) 6.091 9.457 ( 1.092 0.000 -0.000) 1.092 9.493 ( -7.466 -0.000 0.000) 7.466 10.717 ( -31.210 -0.000 0.000) 31.210 12.409 ( 17.056 0.000 -0.000) 17.056 12.609 ( 10.837 0.000 -0.000) 10.837 12.989 ( 4.352 0.000 -0.000) 4.352 13.648 ( -12.862 -0.000 0.000) 12.862 14.409 ( 6.392 0.000 -0.000) 6.392 14.906 ( -5.399 -0.000 0.000) 5.399 22.212 ( -0.502 -0.000 0.000) 0.502 22.790 ( -13.730 -0.000 0.000) 13.730 23.754 ( 2.268 0.000 -0.000) 2.268 24.549 ( -17.140 -0.000 0.000) 17.140 25.525 ( 0.965 0.000 -0.000) 0.965 25.857 ( 18.037 0.000 -0.000) 18.037 25.886 ( -6.727 -0.000 0.000) 6.727 26.443 ( 3.380 0.000 -0.000) 3.380 ======================= Grid point 430 (108/126) ======================= q-point: (-0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 15.507 -27.721 -0.000) 31.764 3.822 ( 20.382 -1.898 -0.000) 20.470 4.434 ( -16.102 1.689 0.000) 16.190 4.745 ( 19.455 -6.067 -0.000) 20.379 4.849 ( 2.561 5.173 0.000) 5.773 5.083 ( 8.141 -12.192 -0.000) 14.660 5.581 ( 0.782 8.278 0.000) 8.315 5.839 ( 15.365 -2.358 -0.000) 15.545 6.090 ( -0.879 2.730 0.000) 2.867 6.524 ( -33.797 2.745 0.000) 33.908 7.006 ( 7.107 -0.863 -0.000) 7.160 7.101 ( -12.809 -0.782 0.000) 12.833 7.295 ( 28.702 -0.188 -0.000) 28.702 7.358 ( -1.195 -0.987 0.000) 1.550 8.247 ( -16.792 3.344 0.000) 17.122 8.383 ( 1.617 -2.217 -0.000) 2.744 8.486 ( -5.540 6.531 0.000) 8.565 8.496 ( -1.539 -0.146 0.000) 1.546 8.616 ( 9.725 -2.942 -0.000) 10.160 9.349 ( -6.199 7.733 0.000) 9.911 9.505 ( 2.403 -4.628 -0.000) 5.214 10.307 ( -27.698 1.371 0.000) 27.732 12.656 ( 14.305 -4.770 -0.000) 15.080 12.757 ( 10.635 -0.416 -0.000) 10.643 13.009 ( 4.085 5.287 0.000) 6.682 13.455 ( -14.385 1.369 0.000) 14.450 14.499 ( 5.534 -1.440 -0.000) 5.719 14.817 ( -5.605 1.883 0.000) 5.913 22.222 ( -0.098 -2.490 -0.000) 2.492 22.589 ( -12.210 2.690 0.000) 12.502 23.839 ( 1.648 -7.717 -0.000) 7.892 24.342 ( -16.003 -1.921 0.000) 16.118 25.545 ( 0.252 -2.135 -0.000) 2.150 25.784 ( -7.286 0.654 0.000) 7.316 26.086 ( 16.956 1.593 -0.000) 17.030 26.449 ( 3.834 6.037 0.000) 7.151 ======================= Grid point 431 (109/126) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 15.847 -0.000 9.229) 18.338 3.809 ( 22.653 0.000 0.331) 22.656 4.316 ( -22.728 -0.000 -10.241) 24.929 4.662 ( 22.079 0.000 -5.034) 22.646 4.910 ( 6.371 0.000 -11.532) 13.175 5.178 ( 9.898 -0.000 27.165) 28.912 5.625 ( 13.640 0.000 -22.270) 26.115 5.659 ( -4.640 -0.000 6.268) 7.798 6.154 ( 2.875 -0.000 5.210) 5.951 6.435 ( -36.825 -0.000 -11.558) 38.597 7.121 ( 11.654 -0.000 10.360) 15.593 7.205 ( -3.852 -0.000 10.831) 11.495 7.343 ( 20.723 0.000 7.693) 22.105 7.413 ( -5.098 -0.000 10.161) 11.368 8.259 ( -15.303 -0.000 -1.021) 15.337 8.341 ( 4.369 0.000 -3.418) 5.547 8.470 ( 7.132 0.000 -0.059) 7.132 8.540 ( -8.995 -0.000 0.456) 9.006 8.725 ( 0.274 -0.000 13.921) 13.924 9.419 ( -5.715 -0.000 2.114) 6.093 9.531 ( 1.820 -0.000 7.254) 7.479 10.311 ( -26.740 -0.000 -0.531) 26.746 12.534 ( 8.004 0.000 -14.078) 16.194 12.666 ( 13.247 0.000 -7.627) 15.286 12.996 ( 3.814 0.000 -6.567) 7.594 13.480 ( -11.034 -0.000 0.738) 11.059 14.515 ( 6.092 -0.000 3.857) 7.210 14.907 ( -6.309 -0.000 9.566) 11.459 22.212 ( -0.480 -0.000 0.940) 1.056 22.613 ( -12.956 -0.000 0.692) 12.974 23.775 ( 2.327 0.000 -1.364) 2.698 24.294 ( -13.902 -0.000 -4.653) 14.660 25.515 ( -0.355 0.000 -2.604) 2.628 25.752 ( -5.094 0.000 -6.120) 7.963 25.921 ( 12.081 0.000 -13.843) 18.374 26.680 ( 6.042 -0.000 17.947) 18.937 ======================= Grid point 441 (110/126) ======================= q-point: (-0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 10.847 -38.403 -0.000) 39.905 3.729 ( -29.374 6.567 0.000) 30.099 4.434 ( 11.901 -6.730 -0.000) 13.672 4.700 ( -5.901 11.443 0.000) 12.875 5.085 ( 17.189 -7.510 -0.000) 18.758 5.395 ( -4.737 14.942 0.000) 15.675 5.438 ( 10.413 -20.170 -0.000) 22.699 5.867 ( -20.866 9.343 0.000) 22.862 6.053 ( 10.205 -3.106 -0.000) 10.668 6.202 ( -8.509 2.378 0.000) 8.835 7.018 ( -3.404 -2.529 0.000) 4.241 7.040 ( -1.701 0.312 0.000) 1.730 7.454 ( 9.470 -3.908 -0.000) 10.245 7.573 ( 11.932 6.857 -0.000) 13.762 8.066 ( -2.109 -2.689 -0.000) 3.418 8.257 ( -7.833 11.739 0.000) 14.112 8.433 ( 0.390 -2.831 -0.000) 2.858 8.471 ( -2.337 -0.004 0.000) 2.337 8.849 ( 15.776 -4.138 -0.000) 16.310 9.121 ( -5.275 13.951 0.000) 14.915 9.664 ( 3.010 -13.509 -0.000) 13.840 9.943 ( -21.762 2.463 0.000) 21.901 12.862 ( 12.368 2.721 -0.000) 12.664 12.955 ( 7.720 -11.674 -0.000) 13.995 12.962 ( 3.793 9.258 0.000) 10.005 13.220 ( -14.400 4.467 0.000) 15.077 14.599 ( 4.498 -3.378 -0.000) 5.625 14.709 ( -4.928 3.336 0.000) 5.950 22.283 ( 0.991 -5.786 -0.000) 5.870 22.407 ( -9.246 2.304 0.000) 9.529 23.988 ( 0.086 -12.062 -0.000) 12.062 24.159 ( -14.533 -1.461 0.000) 14.606 25.595 ( 0.518 -4.547 -0.000) 4.577 25.679 ( -6.476 0.786 0.000) 6.523 26.266 ( 14.225 3.020 -0.000) 14.542 26.388 ( 3.825 10.616 0.000) 11.284 ======================= Grid point 442 (111/126) ======================= q-point: (-0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 11.787 -24.909 6.846) 28.394 3.827 ( -29.754 3.490 3.256) 30.134 4.150 ( 10.072 -1.160 -15.408) 18.444 4.915 ( 8.739 -8.311 -7.607) 14.258 5.114 ( 14.397 -3.473 -6.392) 16.131 5.234 ( 3.037 -0.375 27.188) 27.360 5.532 ( -7.287 7.427 1.053) 10.458 5.774 ( 6.079 -0.026 -23.539) 24.311 5.952 ( -24.957 4.352 -10.133) 27.285 6.227 ( 3.952 -0.987 4.901) 6.373 7.134 ( -2.507 -0.877 16.953) 17.160 7.225 ( 1.703 0.945 17.424) 17.533 7.387 ( 1.497 -2.536 0.188) 2.951 7.670 ( 21.527 2.129 3.313) 21.884 8.061 ( -9.857 -0.159 3.390) 10.425 8.377 ( -7.423 5.682 -1.447) 9.459 8.396 ( -0.085 -1.968 0.225) 1.982 8.538 ( -0.084 -0.830 7.518) 7.564 8.831 ( 13.374 -2.054 3.468) 13.968 9.290 ( -4.725 8.433 2.028) 9.877 9.585 ( 2.171 -4.539 6.381) 8.126 9.979 ( -20.653 1.092 1.694) 20.751 12.640 ( 2.455 -4.439 -21.730) 22.314 12.834 ( 12.076 0.557 -5.554) 13.303 13.016 ( 3.130 3.868 -6.279) 8.011 13.335 ( -8.380 1.435 5.377) 10.059 14.602 ( 4.794 -2.017 5.208) 7.360 14.810 ( -5.710 2.055 8.308) 10.289 22.228 ( -0.036 -3.112 0.825) 3.220 22.438 ( -10.624 1.448 0.706) 10.746 23.846 ( 1.519 -5.774 -2.031) 6.307 24.128 ( -12.466 -1.546 -2.205) 12.753 25.527 ( -0.197 -2.281 -3.144) 3.890 25.667 ( -6.014 0.389 -2.806) 6.648 26.061 ( 10.319 2.817 -18.479) 21.351 26.735 ( 6.675 4.292 19.332) 20.898 ======================= Grid point 443 (112/126) ======================= q-point: (-0.27 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 10.885 -0.000 13.886) 17.644 3.852 ( -26.755 -0.000 -4.445) 27.121 4.062 ( 9.973 -0.000 5.709) 11.492 4.647 ( 1.429 0.000 -18.782) 18.836 4.874 ( 19.653 0.000 -15.249) 24.875 5.332 ( -11.729 0.000 -10.900) 16.012 5.382 ( 6.182 0.000 -26.707) 27.413 5.739 ( -28.503 -0.000 -10.890) 30.512 6.077 ( 2.216 -0.000 45.735) 45.789 6.325 ( 7.266 -0.000 6.701) 9.884 7.272 ( 1.654 0.000 -4.761) 5.040 7.426 ( -0.283 -0.000 21.341) 21.343 7.587 ( -4.542 -0.000 18.800) 19.340 7.729 ( 20.698 0.000 3.734) 21.032 8.172 ( -4.027 -0.000 10.545) 11.288 8.340 ( 2.040 0.000 -3.421) 3.983 8.417 ( -8.230 -0.000 0.147) 8.231 8.633 ( 6.495 -0.000 5.959) 8.815 8.901 ( 3.936 -0.000 7.119) 8.135 9.394 ( -4.569 -0.000 3.764) 5.920 9.716 ( 1.529 -0.000 14.038) 14.121 10.034 ( -17.102 -0.000 5.272) 17.896 12.249 ( -0.095 0.000 -25.569) 25.569 12.727 ( 10.273 0.000 -9.072) 13.706 12.895 ( 2.807 0.000 -12.903) 13.204 13.379 ( -4.578 -0.000 -0.432) 4.598 14.694 ( 6.049 -0.000 8.517) 10.446 14.989 ( -6.869 -0.000 12.975) 14.681 22.226 ( -0.436 -0.000 1.655) 1.712 22.467 ( -11.226 -0.000 1.752) 11.361 23.775 ( 1.983 0.000 -2.656) 3.315 24.052 ( -9.888 0.000 -5.930) 11.530 25.416 ( 0.260 0.000 -10.698) 10.701 25.616 ( -3.322 0.000 -3.434) 4.778 25.869 ( 6.303 0.000 -9.051) 11.030 27.027 ( 6.873 -0.000 15.626) 17.071 ======================= Grid point 452 (113/126) ======================= q-point: ( 0.55 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -13.459 -13.459 3.313) 19.321 3.293 ( -15.215 -15.215 4.262) 21.935 4.251 ( 4.096 4.096 -16.021) 17.036 5.089 ( -1.672 -1.672 9.377) 9.671 5.231 ( -4.999 -4.999 -6.566) 9.649 5.269 ( 6.961 6.961 9.006) 13.342 5.448 ( -0.979 -0.979 0.500) 1.473 5.623 ( -3.083 -3.083 -6.950) 8.205 5.852 ( 1.045 1.045 -24.846) 24.890 6.269 ( 3.516 3.516 5.729) 7.586 7.147 ( 0.596 0.596 17.722) 17.742 7.191 ( -2.084 -2.084 19.457) 19.679 7.455 ( -0.736 -0.736 -8.366) 8.431 7.753 ( 6.264 6.264 11.214) 14.291 8.125 ( 2.212 2.212 -1.425) 3.437 8.170 ( 0.374 0.374 1.928) 1.999 8.423 ( -1.862 -1.862 0.681) 2.720 8.533 ( -1.844 -1.844 9.004) 9.374 9.072 ( 5.436 5.436 1.482) 7.829 9.074 ( 5.503 5.503 1.788) 7.985 9.706 ( -4.325 -4.325 2.605) 6.648 9.753 ( -6.209 -6.209 5.750) 10.496 12.692 ( -2.668 -2.668 -25.791) 26.065 12.958 ( 4.271 4.271 -6.529) 8.894 12.975 ( 4.542 4.542 -5.307) 8.332 13.255 ( -1.516 -1.516 9.376) 9.618 14.689 ( -0.438 -0.438 6.981) 7.009 14.716 ( -0.153 -0.153 6.541) 6.545 22.296 ( -2.860 -2.860 0.259) 4.052 22.306 ( -3.204 -3.204 1.186) 4.684 23.931 ( -3.481 -3.481 -4.814) 6.885 24.021 ( -6.688 -6.688 1.136) 9.526 25.558 ( -2.299 -2.299 -4.999) 5.963 25.605 ( -2.002 -2.002 -0.500) 2.875 26.113 ( 6.415 6.415 -19.672) 21.663 26.750 ( 6.417 6.417 20.009) 21.971 ======================= Grid point 454 (114/126) ======================= q-point: (-0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 7.262 -20.861 10.488) 24.452 3.417 ( -30.896 3.524 4.660) 31.443 4.180 ( 6.073 1.010 1.654) 6.375 4.758 ( 1.141 -13.495 -19.115) 23.427 5.053 ( -23.130 0.865 -16.256) 28.284 5.127 ( 15.183 0.022 -18.015) 23.559 5.438 ( 1.115 0.180 -26.321) 26.346 5.469 ( -8.831 3.224 -17.522) 19.885 6.100 ( 4.615 3.810 52.101) 52.443 6.412 ( 6.162 1.949 6.713) 9.318 7.271 ( -3.230 -2.393 -9.055) 9.907 7.437 ( 1.353 -0.665 20.698) 20.753 7.522 ( -4.391 -0.079 21.094) 21.547 7.975 ( 14.311 0.882 4.476) 15.021 8.140 ( 1.767 1.986 10.074) 10.418 8.274 ( -4.658 5.341 2.485) 7.510 8.381 ( -1.633 -3.515 -1.555) 4.176 8.640 ( -4.394 -2.267 8.172) 9.551 9.070 ( 14.589 -2.120 3.297) 15.106 9.277 ( -3.619 8.962 3.621) 10.321 9.748 ( 1.199 -2.237 12.239) 12.499 9.853 ( -9.271 0.005 9.739) 13.446 12.250 ( -2.856 -2.979 -26.535) 26.854 12.843 ( 7.164 0.735 -11.561) 13.620 12.906 ( 1.798 3.123 -12.652) 13.155 13.331 ( -1.792 0.337 2.017) 2.719 14.783 ( 4.419 -2.723 9.736) 11.033 14.888 ( -5.341 2.439 12.188) 13.529 22.245 ( -0.006 -3.543 1.492) 3.844 22.330 ( -7.877 0.449 1.725) 8.076 23.817 ( 0.924 -2.298 -4.118) 4.806 23.949 ( -8.051 -2.975 -2.896) 9.058 25.420 ( -0.561 -0.908 -10.137) 10.193 25.575 ( -2.628 -0.616 -1.571) 3.123 25.934 ( 5.186 2.537 -11.944) 13.266 27.088 ( 5.843 3.646 15.886) 17.314 ======================= Grid point 455 (115/126) ======================= q-point: (-0.27 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 6.058 -0.000 14.429) 15.649 3.508 ( -22.853 -0.000 4.385) 23.270 4.302 ( 7.315 -0.000 11.746) 13.838 4.325 ( 0.618 0.000 -23.995) 24.003 4.788 ( -28.806 0.000 -18.785) 34.390 4.848 ( 13.545 0.000 -19.307) 23.585 5.018 ( 0.331 0.000 -27.857) 27.859 5.257 ( -15.392 0.000 -12.860) 20.057 6.496 ( 6.056 -0.000 3.033) 6.773 6.887 ( 6.891 -0.000 44.931) 45.456 7.107 ( -6.274 0.000 -9.883) 11.707 7.745 ( -0.471 -0.000 17.951) 17.957 7.764 ( -2.771 -0.000 11.810) 12.131 7.991 ( 13.802 0.000 1.109) 13.846 8.298 ( -4.318 -0.000 4.673) 6.362 8.302 ( 0.117 0.000 -0.284) 0.307 8.491 ( 4.787 -0.000 18.620) 19.225 8.701 ( -5.730 -0.000 2.391) 6.209 9.117 ( 13.906 0.000 5.198) 14.845 9.403 ( -3.655 -0.000 4.707) 5.960 9.975 ( 0.557 -0.000 18.438) 18.447 10.035 ( -5.704 -0.000 14.775) 15.838 11.860 ( -2.775 0.000 -22.218) 22.391 12.644 ( 4.688 0.000 -15.598) 16.287 12.692 ( 1.533 0.000 -18.059) 18.124 13.341 ( -0.263 0.000 -0.324) 0.417 14.901 ( 4.742 -0.000 8.219) 9.489 15.113 ( -4.972 -0.000 15.054) 15.854 22.249 ( -0.314 -0.000 2.120) 2.143 22.365 ( -8.574 -0.000 2.661) 8.977 23.750 ( 1.304 0.000 -3.585) 3.814 23.857 ( -5.865 0.000 -5.825) 8.266 25.239 ( 0.737 0.000 -12.765) 12.786 25.546 ( -2.276 0.000 -1.487) 2.718 25.831 ( 2.987 0.000 -4.385) 5.306 27.315 ( 5.980 -0.000 11.045) 12.560 ======================= Grid point 465 (116/126) ======================= q-point: (-0.36 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -6.060 -6.060 10.596) 13.628 3.218 ( -6.774 -6.774 11.198) 14.736 4.359 ( 3.609 3.609 13.534) 14.465 4.434 ( -6.908 -6.908 -22.521) 24.548 4.477 ( -9.944 -9.944 -22.310) 26.372 4.968 ( 5.040 5.040 -21.749) 22.887 5.022 ( -0.292 -0.292 -29.107) 29.110 5.129 ( -4.911 -4.911 -16.072) 17.508 6.543 ( 2.498 2.498 2.592) 4.381 6.920 ( 5.594 5.594 38.696) 39.496 7.074 ( -4.574 -4.574 -4.403) 7.825 7.715 ( 0.532 0.532 14.058) 14.078 7.767 ( -3.099 -3.099 15.184) 15.804 8.157 ( 4.513 4.513 2.411) 6.822 8.171 ( 2.233 2.233 1.518) 3.504 8.334 ( -2.672 -2.672 2.707) 4.648 8.518 ( 4.590 4.590 20.026) 21.052 8.656 ( -4.569 -4.569 2.851) 7.063 9.296 ( 3.590 3.590 4.560) 6.824 9.302 ( 3.065 3.065 4.995) 6.613 9.976 ( 0.457 0.457 17.187) 17.199 10.000 ( -1.491 -1.491 17.286) 17.414 11.840 ( -2.625 -2.625 -22.092) 22.401 12.683 ( 2.060 2.060 -17.699) 17.937 12.698 ( 1.100 1.100 -17.759) 17.827 13.339 ( 0.265 0.265 0.537) 0.655 14.945 ( 0.233 0.233 7.495) 7.503 15.067 ( -0.408 -0.408 16.427) 16.437 22.265 ( -1.399 -1.399 1.704) 2.610 22.286 ( -2.884 -2.884 2.814) 4.955 23.756 ( 0.796 0.796 -4.937) 5.064 23.823 ( -4.061 -4.061 -3.522) 6.737 25.244 ( 0.150 0.150 -12.361) 12.363 25.530 ( -1.078 -1.078 -1.379) 2.056 25.853 ( 1.709 1.709 -5.260) 5.789 27.355 ( 3.489 3.489 11.274) 12.306 ======================= Grid point 466 (117/126) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 2.034 -0.000 7.574) 7.842 3.362 ( -11.030 -0.000 4.936) 12.084 3.999 ( 1.064 0.000 -19.174) 19.203 4.150 ( -20.184 0.000 -17.614) 26.789 4.573 ( -2.671 0.000 -28.977) 29.100 4.579 ( 10.733 0.000 -0.124) 10.734 4.674 ( 6.344 0.000 -21.371) 22.293 4.952 ( -16.115 -0.000 9.621) 18.768 6.567 ( 2.346 0.000 -0.901) 2.513 6.876 ( -4.320 0.000 -10.332) 11.199 7.284 ( 0.136 0.000 -7.858) 7.859 7.847 ( -0.078 -0.000 2.652) 2.653 7.855 ( -1.341 -0.000 4.248) 4.455 8.244 ( 11.634 -0.000 7.617) 13.905 8.354 ( -1.278 -0.000 8.582) 8.677 8.545 ( 1.679 -0.000 29.184) 29.232 8.606 ( -6.644 -0.000 3.730) 7.619 8.872 ( 5.516 -0.000 20.509) 21.238 9.360 ( 7.521 -0.000 6.007) 9.626 9.431 ( -2.627 -0.000 4.703) 5.387 10.260 ( 0.010 -0.000 18.153) 18.153 10.262 ( -0.048 -0.000 18.859) 18.859 11.552 ( -2.263 0.000 -13.688) 13.874 12.411 ( 0.805 0.000 -19.465) 19.482 12.414 ( 0.405 0.000 -20.218) 20.222 13.357 ( 0.765 -0.000 1.700) 1.864 15.045 ( 1.559 -0.000 5.782) 5.988 15.305 ( -0.819 -0.000 14.957) 14.979 22.279 ( -0.130 -0.000 2.212) 2.216 22.313 ( -5.107 -0.000 2.644) 5.751 23.706 ( 0.539 0.000 -3.832) 3.869 23.725 ( -2.129 0.000 -4.613) 5.081 25.075 ( 0.382 0.000 -9.990) 9.998 25.506 ( -1.227 0.000 -0.645) 1.386 25.818 ( 1.080 0.000 -1.130) 1.563 27.512 ( 3.720 -0.000 6.420) 7.420 ======================= Grid point 477 (118/126) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -0.000 0.000 -16.124) 16.124 3.226 ( -0.000 0.000 -16.124) 16.124 3.870 ( 0.000 -0.000 0.848) 0.848 3.870 ( 0.000 -0.000 0.848) 0.848 4.112 ( -0.000 0.000 -28.892) 28.892 4.423 ( -0.000 0.000 -16.449) 16.449 4.423 ( -0.000 0.000 -16.449) 16.449 5.305 ( 0.000 -0.000 39.499) 39.499 6.548 ( -0.000 0.000 -3.275) 3.275 6.695 ( -0.000 0.000 -10.050) 10.050 6.837 ( -0.000 0.000 -43.776) 43.776 7.878 ( 0.000 -0.000 0.870) 0.870 7.878 ( 0.000 -0.000 0.870) 0.870 8.352 ( -0.000 0.000 -16.902) 16.902 8.482 ( 0.000 -0.000 8.559) 8.559 8.482 ( 0.000 -0.000 8.559) 8.559 9.214 ( 0.000 -0.000 19.165) 19.165 9.307 ( 0.000 -0.000 52.593) 52.593 9.470 ( 0.000 -0.000 3.309) 3.309 9.470 ( 0.000 -0.000 3.309) 3.309 10.499 ( 0.000 -0.000 11.254) 11.254 10.499 ( 0.000 -0.000 11.254) 11.254 11.405 ( -0.000 0.000 -4.215) 4.215 12.140 ( -0.000 0.000 -15.160) 15.160 12.140 ( -0.000 0.000 -15.160) 15.160 13.408 ( 0.000 -0.000 4.478) 4.478 15.128 ( 0.000 -0.000 3.819) 3.819 15.499 ( 0.000 -0.000 10.968) 10.968 22.308 ( 0.000 -0.000 1.691) 1.691 22.308 ( 0.000 -0.000 1.691) 1.691 23.656 ( -0.000 0.000 -3.151) 3.151 23.656 ( -0.000 0.000 -3.151) 3.151 24.964 ( -0.000 0.000 -4.852) 4.852 25.500 ( 0.000 -0.000 1.172) 1.172 25.823 ( 0.000 -0.000 0.597) 0.597 27.600 ( 0.000 -0.000 1.796) 1.796 ======================= Grid point 558 (119/126) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 12.971 0.000 -0.000) 12.971 3.820 ( -26.354 -0.000 0.000) 26.354 4.341 ( 11.525 0.000 -0.000) 11.525 4.871 ( -3.793 -0.000 0.000) 3.793 4.914 ( 8.334 0.000 -0.000) 8.334 5.184 ( 19.655 0.000 -0.000) 19.655 5.616 ( -8.214 -0.000 0.000) 8.214 6.019 ( 12.373 0.000 -0.000) 12.373 6.104 ( -25.100 -0.000 0.000) 25.100 6.118 ( 1.172 0.000 -0.000) 1.172 6.981 ( -4.342 -0.000 0.000) 4.342 7.058 ( 0.032 0.000 -0.000) 0.032 7.376 ( 5.752 0.000 -0.000) 5.752 7.666 ( 25.009 0.000 -0.000) 25.009 8.028 ( -17.183 -0.000 0.000) 17.183 8.385 ( 1.026 0.000 -0.000) 1.026 8.429 ( -8.102 -0.000 0.000) 8.102 8.471 ( -2.072 -0.000 0.000) 2.072 8.791 ( 16.618 0.000 -0.000) 16.618 9.332 ( -4.509 -0.000 0.000) 4.509 9.502 ( 1.858 0.000 -0.000) 1.858 9.977 ( -21.990 -0.000 0.000) 21.990 12.769 ( 9.006 0.000 -0.000) 9.006 12.913 ( 10.957 0.000 -0.000) 10.957 13.094 ( 3.261 0.000 -0.000) 3.261 13.274 ( -13.697 -0.000 0.000) 13.697 14.553 ( 4.089 0.000 -0.000) 4.089 14.756 ( -5.194 -0.000 0.000) 5.194 22.199 ( -0.371 -0.000 0.000) 0.371 22.443 ( -11.238 -0.000 0.000) 11.238 23.817 ( 2.225 0.000 -0.000) 2.225 24.138 ( -12.556 -0.000 0.000) 12.556 25.530 ( -0.061 -0.000 0.000) 0.061 25.690 ( -6.955 -0.000 0.000) 6.955 26.308 ( 14.036 0.000 -0.000) 14.036 26.537 ( 3.216 0.000 -0.000) 3.216 ======================= Grid point 570 (120/126) ======================= q-point: (-0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 8.461 -25.141 -0.000) 26.526 3.325 ( -36.759 3.963 0.000) 36.972 4.567 ( 14.439 -2.620 -0.000) 14.674 4.764 ( -4.258 7.391 0.000) 8.530 5.071 ( 4.318 -12.597 -0.000) 13.317 5.362 ( -20.139 4.005 0.000) 20.533 5.496 ( 19.659 -4.078 -0.000) 20.077 5.798 ( -7.777 13.151 0.000) 15.278 6.147 ( 5.635 -0.190 -0.000) 5.638 6.168 ( 0.381 -2.060 -0.000) 2.095 6.970 ( 0.242 -1.886 -0.000) 1.902 7.020 ( -3.151 1.244 0.000) 3.387 7.514 ( 8.994 -5.043 -0.000) 10.312 7.733 ( -7.189 9.322 0.000) 11.772 8.033 ( 11.513 -8.085 -0.000) 14.068 8.274 ( -7.944 6.894 0.000) 10.519 8.409 ( 0.574 -1.678 -0.000) 1.773 8.441 ( -2.228 0.144 0.000) 2.233 9.024 ( 14.892 -1.853 -0.000) 15.007 9.221 ( -3.244 8.524 0.000) 9.121 9.565 ( 1.737 -6.102 -0.000) 6.344 9.722 ( -14.276 1.123 0.000) 14.320 12.912 ( 5.255 -6.800 -0.000) 8.594 13.036 ( 8.501 1.476 -0.000) 8.629 13.087 ( -10.445 2.383 0.000) 10.714 13.101 ( 1.472 4.520 0.000) 4.754 14.612 ( 2.857 -1.920 -0.000) 3.442 14.682 ( -3.876 1.594 0.000) 4.191 22.221 ( 0.022 -3.833 -0.000) 3.833 22.306 ( -7.988 0.534 0.000) 8.006 23.881 ( 1.315 -5.451 -0.000) 5.608 23.992 ( -9.288 0.132 0.000) 9.289 25.548 ( 0.060 -2.729 -0.000) 2.730 25.604 ( -5.291 0.187 0.000) 5.294 26.461 ( 10.044 1.450 -0.000) 10.148 26.539 ( 2.526 5.350 0.000) 5.916 ======================= Grid point 571 (121/126) ======================= q-point: (-0.36 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 8.493 -0.000 7.198) 11.133 3.380 ( -35.526 -0.000 3.385) 35.687 4.287 ( 8.291 0.000 -15.403) 17.493 4.898 ( 2.072 0.000 -10.978) 11.172 5.200 ( -9.643 -0.000 11.253) 14.819 5.359 ( 19.351 0.000 -13.256) 23.456 5.423 ( -9.410 -0.000 24.549) 26.291 5.772 ( -7.630 0.000 -14.976) 16.808 5.844 ( 2.775 0.000 -25.134) 25.286 6.302 ( 6.216 -0.000 9.286) 11.174 7.113 ( 0.598 -0.000 18.358) 18.367 7.211 ( -3.963 -0.000 20.035) 20.424 7.398 ( 1.571 0.000 -8.580) 8.722 7.929 ( -5.826 -0.000 12.915) 14.168 7.963 ( 16.973 0.000 0.749) 16.990 8.317 ( -7.363 -0.000 -0.467) 7.377 8.378 ( -0.180 0.000 -1.461) 1.472 8.508 ( -2.638 -0.000 7.150) 7.621 9.022 ( 14.963 0.000 1.411) 15.030 9.295 ( -3.292 -0.000 2.020) 3.862 9.579 ( 1.442 -0.000 7.119) 7.264 9.758 ( -12.963 -0.000 3.958) 13.553 12.617 ( -1.199 0.000 -24.587) 24.617 12.981 ( 8.841 0.000 -6.331) 10.874 13.080 ( 2.259 0.000 -6.969) 7.326 13.251 ( -5.078 -0.000 9.381) 10.667 14.641 ( 3.042 -0.000 5.882) 6.622 14.755 ( -4.331 -0.000 7.602) 8.749 22.202 ( -0.278 -0.000 0.868) 0.911 22.315 ( -8.311 -0.000 0.777) 8.347 23.832 ( 1.687 0.000 -1.577) 2.309 23.977 ( -8.642 -0.000 -2.062) 8.884 25.506 ( -0.495 0.000 -3.359) 3.396 25.595 ( -4.562 -0.000 -1.333) 4.752 26.198 ( 6.908 0.000 -19.890) 21.056 26.845 ( 5.326 -0.000 19.814) 20.517 ======================= Grid point 581 (122/126) ======================= q-point: ( 0.55 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -9.522 -9.522 5.672) 14.612 2.939 ( -9.964 -9.964 5.755) 15.222 4.345 ( 2.590 2.590 -16.394) 16.798 4.988 ( -4.225 -4.225 -9.609) 11.316 5.027 ( -7.098 -7.098 -10.929) 14.839 5.372 ( 1.945 1.945 44.821) 44.905 5.569 ( 6.924 6.924 -15.164) 18.051 5.652 ( 2.521 2.521 -13.925) 14.375 5.867 ( -0.457 -0.457 -25.196) 25.205 6.352 ( 2.384 2.384 9.810) 10.373 7.147 ( -0.459 -0.459 18.929) 18.940 7.150 ( -0.934 -0.934 19.331) 19.376 7.410 ( -2.004 -2.004 -13.108) 13.411 7.875 ( 2.773 2.773 17.933) 18.357 8.175 ( 1.310 1.310 -0.303) 1.877 8.183 ( 0.573 0.573 0.511) 0.958 8.380 ( -1.182 -1.182 -1.704) 2.387 8.487 ( -1.349 -1.349 6.160) 6.449 9.199 ( 3.554 3.554 1.640) 5.287 9.201 ( 3.457 3.457 1.705) 5.177 9.624 ( -1.849 -1.849 5.797) 6.359 9.634 ( -2.690 -2.690 6.502) 7.533 12.609 ( -2.599 -2.599 -26.229) 26.485 13.068 ( 3.116 3.116 -7.134) 8.385 13.071 ( 2.611 2.611 -6.089) 7.121 13.213 ( -1.491 -1.491 10.958) 11.159 14.676 ( -0.452 -0.452 6.677) 6.707 14.710 ( -0.235 -0.235 6.754) 6.762 22.227 ( -2.021 -2.021 0.698) 2.942 22.229 ( -2.215 -2.215 0.947) 3.273 23.871 ( -1.181 -1.181 -2.479) 2.989 23.894 ( -2.866 -2.866 -0.957) 4.164 25.507 ( -1.345 -1.345 -4.244) 4.651 25.559 ( -1.306 -1.306 -0.062) 1.848 26.245 ( 3.299 3.299 -20.291) 20.820 26.881 ( 3.207 3.207 19.991) 20.499 ======================= Grid point 583 (123/126) ======================= q-point: (-0.36 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 3.795 -0.000 11.636) 12.239 3.079 ( -20.513 -0.000 9.486) 22.600 4.252 ( 2.988 0.000 1.412) 3.305 4.672 ( 0.549 0.000 -20.567) 20.574 4.781 ( -15.190 0.000 -19.707) 24.882 5.309 ( 10.524 0.000 -20.351) 22.911 5.415 ( -3.703 0.000 -20.797) 21.124 5.453 ( -0.029 0.000 -28.637) 28.637 6.180 ( 3.084 -0.000 55.745) 55.831 6.495 ( 3.564 -0.000 6.364) 7.294 7.203 ( -3.254 0.000 -11.886) 12.324 7.445 ( 1.151 -0.000 21.684) 21.715 7.474 ( -2.872 -0.000 20.660) 20.859 8.136 ( 8.167 0.000 0.208) 8.170 8.180 ( 1.869 -0.000 11.825) 11.972 8.260 ( -3.045 -0.000 10.624) 11.052 8.328 ( -1.767 0.000 -3.520) 3.939 8.564 ( -3.497 -0.000 5.434) 6.462 9.223 ( 9.118 0.000 3.215) 9.668 9.301 ( -2.017 -0.000 3.483) 4.025 9.746 ( 0.616 -0.000 13.234) 13.249 9.771 ( -3.351 -0.000 12.111) 12.566 12.189 ( -2.585 0.000 -26.650) 26.775 12.928 ( 4.068 0.000 -13.088) 13.705 12.948 ( 1.032 0.000 -13.537) 13.576 13.312 ( -0.937 -0.000 3.817) 3.930 14.809 ( 2.257 -0.000 10.422) 10.663 14.846 ( -3.048 -0.000 11.919) 12.303 22.217 ( -0.160 -0.000 1.609) 1.617 22.246 ( -4.416 -0.000 1.612) 4.701 23.815 ( 0.847 0.000 -2.995) 3.113 23.850 ( -4.185 0.000 -3.272) 5.312 25.405 ( -0.655 0.000 -8.640) 8.664 25.542 ( -1.366 0.000 -1.078) 1.740 26.007 ( 2.827 0.000 -13.831) 14.117 27.173 ( 3.135 -0.000 16.149) 16.451 ======================= Grid point 594 (124/126) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 0.000 -0.000 12.964) 12.964 3.120 ( 0.000 -0.000 12.964) 12.964 4.338 ( -0.000 0.000 -23.748) 23.748 4.338 ( -0.000 0.000 -23.748) 23.748 4.417 ( 0.000 -0.000 17.554) 17.554 5.006 ( -0.000 0.000 -30.252) 30.252 5.056 ( -0.000 0.000 -22.863) 22.863 5.056 ( -0.000 0.000 -22.863) 22.863 6.577 ( 0.000 -0.000 1.922) 1.922 7.003 ( 0.000 -0.000 45.449) 45.449 7.007 ( -0.000 0.000 -11.053) 11.053 7.720 ( 0.000 -0.000 13.412) 13.412 7.720 ( 0.000 -0.000 13.412) 13.412 8.233 ( 0.000 -0.000 5.084) 5.084 8.233 ( 0.000 -0.000 5.084) 5.084 8.262 ( 0.000 -0.000 1.010) 1.010 8.580 ( 0.000 -0.000 0.376) 0.376 8.581 ( 0.000 -0.000 22.753) 22.753 9.345 ( 0.000 -0.000 4.399) 4.399 9.345 ( 0.000 -0.000 4.399) 4.399 9.983 ( 0.000 -0.000 17.781) 17.781 9.983 ( 0.000 -0.000 17.781) 17.781 11.802 ( -0.000 0.000 -21.937) 21.937 12.713 ( -0.000 0.000 -18.594) 18.594 12.713 ( -0.000 0.000 -18.594) 18.594 13.341 ( 0.000 -0.000 1.243) 1.243 14.948 ( 0.000 -0.000 7.940) 7.940 15.060 ( 0.000 -0.000 16.674) 16.674 22.244 ( 0.000 -0.000 2.141) 2.141 22.244 ( 0.000 -0.000 2.141) 2.141 23.769 ( -0.000 0.000 -3.859) 3.859 23.769 ( -0.000 0.000 -3.859) 3.859 25.245 ( -0.000 0.000 -11.765) 11.765 25.514 ( -0.000 0.000 -1.357) 1.357 25.877 ( -0.000 0.000 -6.121) 6.121 27.402 ( 0.000 -0.000 11.555) 11.555 ======================= Grid point 699 (125/126) ======================= q-point: (-0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 4.507 0.000 -0.000) 4.507 2.922 ( -24.452 -0.000 0.000) 24.452 4.710 ( 8.251 0.000 -0.000) 8.251 4.775 ( -1.645 -0.000 0.000) 1.645 5.007 ( 1.199 0.000 -0.000) 1.199 5.123 ( -15.158 -0.000 0.000) 15.158 5.723 ( 15.445 0.000 -0.000) 15.445 5.856 ( -2.041 -0.000 0.000) 2.041 6.154 ( 1.050 0.000 -0.000) 1.050 6.180 ( -0.716 -0.000 0.000) 0.716 6.966 ( 0.858 0.000 -0.000) 0.858 6.989 ( -2.331 -0.000 0.000) 2.331 7.577 ( 5.740 0.000 -0.000) 5.740 7.671 ( -7.562 -0.000 0.000) 7.562 8.137 ( 8.777 0.000 -0.000) 8.777 8.233 ( -5.106 -0.000 0.000) 5.106 8.404 ( 0.385 0.000 -0.000) 0.385 8.417 ( -1.408 -0.000 0.000) 1.408 9.176 ( 8.748 0.000 -0.000) 8.748 9.248 ( -1.626 -0.000 0.000) 1.626 9.541 ( 0.821 0.000 -0.000) 0.821 9.590 ( -6.495 -0.000 0.000) 6.495 12.917 ( 2.460 0.000 -0.000) 2.460 12.979 ( -6.538 -0.000 0.000) 6.538 13.134 ( 4.481 0.000 -0.000) 4.481 13.157 ( 1.236 0.000 -0.000) 1.236 14.627 ( 1.391 0.000 -0.000) 1.391 14.651 ( -2.132 -0.000 0.000) 2.132 22.192 ( -0.136 -0.000 0.000) 0.136 22.222 ( -4.462 -0.000 0.000) 4.462 23.863 ( 0.954 0.000 -0.000) 0.954 23.901 ( -4.613 -0.000 0.000) 4.613 25.529 ( -0.016 -0.000 0.000) 0.016 25.549 ( -2.937 -0.000 0.000) 2.937 26.575 ( 5.187 0.000 -0.000) 5.187 26.601 ( 1.308 0.000 -0.000) 1.308 ======================= Grid point 711 (126/126) ======================= q-point: (-0.45 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.000 -0.000 6.514) 6.514 2.797 ( 0.000 -0.000 6.514) 6.514 4.382 ( -0.000 0.000 -16.614) 16.614 4.924 ( -0.000 0.000 -11.933) 11.933 4.924 ( -0.000 0.000 -11.933) 11.933 5.400 ( 0.000 -0.000 49.475) 49.475 5.691 ( -0.000 0.000 -17.507) 17.507 5.691 ( -0.000 0.000 -17.507) 17.507 5.841 ( -0.000 0.000 -24.402) 24.402 6.386 ( 0.000 -0.000 11.823) 11.823 7.138 ( 0.000 -0.000 19.165) 19.165 7.138 ( 0.000 -0.000 19.165) 19.165 7.378 ( -0.000 0.000 -14.565) 14.565 7.911 ( 0.000 -0.000 21.144) 21.144 8.193 ( -0.000 0.000 -0.301) 0.301 8.193 ( -0.000 0.000 -0.301) 0.301 8.363 ( -0.000 0.000 -2.812) 2.812 8.467 ( 0.000 -0.000 4.736) 4.736 9.249 ( 0.000 -0.000 1.660) 1.660 9.249 ( 0.000 -0.000 1.660) 1.660 9.600 ( 0.000 -0.000 6.971) 6.971 9.600 ( 0.000 -0.000 6.971) 6.971 12.572 ( -0.000 0.000 -26.495) 26.495 13.111 ( -0.000 0.000 -7.150) 7.150 13.111 ( -0.000 0.000 -7.150) 7.150 13.187 ( 0.000 -0.000 12.328) 12.328 14.669 ( 0.000 -0.000 6.510) 6.510 14.706 ( 0.000 -0.000 6.831) 6.831 22.198 ( 0.000 -0.000 0.841) 0.841 22.198 ( 0.000 -0.000 0.841) 0.841 23.857 ( -0.000 0.000 -1.672) 1.672 23.857 ( -0.000 0.000 -1.672) 1.672 25.489 ( -0.000 0.000 -3.990) 3.990 25.540 ( 0.000 -0.000 0.074) 0.074 26.290 ( -0.000 0.000 -20.424) 20.424 26.924 ( 0.000 -0.000 19.962) 19.962 =================== 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 3/47916 10.0 27230.922 27230.922 55016.421 -0.000 0.000 0.000 3/47916 20.0 4705.989 4705.989 5322.132 0.000 0.000 0.000 3/47916 30.0 1183.882 1183.882 1224.463 0.000 0.000 0.000 3/47916 40.0 472.407 472.407 486.002 0.000 0.000 0.000 3/47916 50.0 245.029 245.029 255.905 0.000 0.000 0.000 3/47916 60.0 150.708 150.708 160.728 0.000 0.000 0.000 3/47916 70.0 103.962 103.962 113.188 -0.000 0.000 0.000 3/47916 80.0 77.584 77.584 85.996 -0.000 0.000 0.000 3/47916 90.0 61.191 61.191 68.828 -0.000 0.000 0.000 3/47916 100.0 50.235 50.235 57.169 -0.000 0.000 0.000 3/47916 110.0 42.491 42.491 48.807 -0.000 0.000 0.000 3/47916 120.0 36.771 36.771 42.550 -0.000 0.000 0.000 3/47916 130.0 32.394 32.394 37.710 -0.000 0.000 0.000 3/47916 140.0 28.949 28.949 33.865 -0.000 0.000 0.000 3/47916 150.0 26.171 26.171 30.742 -0.000 0.000 0.000 3/47916 160.0 23.888 23.888 28.158 -0.000 0.000 0.000 3/47916 170.0 21.980 21.980 25.988 -0.000 0.000 0.000 3/47916 180.0 20.362 20.362 24.139 -0.000 0.000 0.000 3/47916 190.0 18.973 18.973 22.547 -0.000 0.000 0.000 3/47916 200.0 17.768 17.768 21.162 -0.000 0.000 0.000 3/47916 210.0 16.713 16.713 19.946 -0.000 0.000 0.000 3/47916 220.0 15.781 15.781 18.869 -0.000 0.000 0.000 3/47916 230.0 14.953 14.953 17.910 -0.000 0.000 0.000 3/47916 240.0 14.211 14.211 17.049 -0.000 0.000 0.000 3/47916 250.0 13.543 13.543 16.273 -0.000 0.000 0.000 3/47916 260.0 12.937 12.937 15.569 -0.000 0.000 0.000 3/47916 270.0 12.387 12.387 14.927 -0.000 0.000 0.000 3/47916 280.0 11.884 11.884 14.339 -0.000 0.000 0.000 3/47916 290.0 11.422 11.422 13.799 -0.000 0.000 0.000 3/47916 300.0 10.996 10.996 13.301 -0.000 0.000 0.000 3/47916 310.0 10.603 10.603 12.840 -0.000 0.000 0.000 3/47916 320.0 10.238 10.238 12.411 -0.000 0.000 0.000 3/47916 330.0 9.898 9.898 12.012 -0.000 0.000 0.000 3/47916 340.0 9.582 9.582 11.640 -0.000 0.000 0.000 3/47916 350.0 9.286 9.286 11.291 -0.000 0.000 0.000 3/47916 360.0 9.008 9.008 10.963 -0.000 0.000 0.000 3/47916 370.0 8.748 8.748 10.655 -0.000 0.000 0.000 3/47916 380.0 8.502 8.502 10.365 -0.000 0.000 0.000 3/47916 390.0 8.271 8.271 10.091 -0.000 0.000 0.000 3/47916 400.0 8.052 8.052 9.831 -0.000 0.000 0.000 3/47916 410.0 7.845 7.845 9.586 -0.000 0.000 0.000 3/47916 420.0 7.649 7.649 9.352 -0.000 0.000 0.000 3/47916 430.0 7.463 7.463 9.130 -0.000 0.000 0.000 3/47916 440.0 7.285 7.285 8.919 -0.000 0.000 0.000 3/47916 450.0 7.117 7.117 8.718 -0.000 0.000 0.000 3/47916 460.0 6.956 6.956 8.526 -0.000 0.000 0.000 3/47916 470.0 6.802 6.802 8.342 -0.000 0.000 0.000 3/47916 480.0 6.656 6.656 8.167 -0.000 0.000 0.000 3/47916 490.0 6.516 6.516 7.999 -0.000 0.000 0.000 3/47916 500.0 6.381 6.381 7.837 -0.000 0.000 0.000 3/47916 510.0 6.252 6.252 7.683 -0.000 0.000 0.000 3/47916 520.0 6.129 6.129 7.534 -0.000 0.000 0.000 3/47916 530.0 6.010 6.010 7.391 -0.000 0.000 0.000 3/47916 540.0 5.896 5.896 7.254 -0.000 0.000 0.000 3/47916 550.0 5.786 5.786 7.122 -0.000 0.000 0.000 3/47916 560.0 5.681 5.681 6.994 -0.000 0.000 0.000 3/47916 570.0 5.579 5.579 6.872 -0.000 0.000 0.000 3/47916 580.0 5.481 5.481 6.753 -0.000 0.000 0.000 3/47916 590.0 5.386 5.386 6.638 -0.000 0.000 0.000 3/47916 600.0 5.295 5.295 6.528 -0.000 0.000 0.000 3/47916 610.0 5.206 5.206 6.421 -0.000 0.000 0.000 3/47916 620.0 5.121 5.121 6.318 -0.000 0.000 0.000 3/47916 630.0 5.038 5.038 6.217 -0.000 0.000 0.000 3/47916 640.0 4.958 4.958 6.120 -0.000 0.000 0.000 3/47916 650.0 4.881 4.881 6.026 -0.000 0.000 0.000 3/47916 660.0 4.806 4.806 5.935 -0.000 0.000 0.000 3/47916 670.0 4.733 4.733 5.847 -0.000 0.000 0.000 3/47916 680.0 4.663 4.663 5.761 -0.000 0.000 0.000 3/47916 690.0 4.595 4.595 5.678 -0.000 0.000 0.000 3/47916 700.0 4.528 4.528 5.597 -0.000 0.000 0.000 3/47916 710.0 4.464 4.464 5.519 -0.000 0.000 0.000 3/47916 720.0 4.401 4.401 5.442 -0.000 0.000 0.000 3/47916 730.0 4.340 4.340 5.368 -0.000 0.000 0.000 3/47916 740.0 4.281 4.281 5.296 -0.000 0.000 0.000 3/47916 750.0 4.223 4.223 5.225 -0.000 0.000 0.000 3/47916 760.0 4.167 4.167 5.157 -0.000 0.000 0.000 3/47916 770.0 4.113 4.113 5.090 -0.000 0.000 0.000 3/47916 780.0 4.059 4.059 5.025 -0.000 0.000 0.000 3/47916 790.0 4.008 4.008 4.962 -0.000 0.000 0.000 3/47916 800.0 3.957 3.957 4.900 -0.000 0.000 0.000 3/47916 810.0 3.908 3.908 4.840 -0.000 0.000 0.000 3/47916 820.0 3.860 3.860 4.781 -0.000 0.000 0.000 3/47916 830.0 3.813 3.813 4.724 -0.000 0.000 0.000 3/47916 840.0 3.767 3.767 4.668 -0.000 0.000 0.000 3/47916 850.0 3.723 3.723 4.613 -0.000 0.000 0.000 3/47916 860.0 3.679 3.679 4.560 -0.000 0.000 0.000 3/47916 870.0 3.637 3.637 4.508 -0.000 0.000 0.000 3/47916 880.0 3.595 3.595 4.457 -0.000 0.000 0.000 3/47916 890.0 3.555 3.555 4.407 -0.000 0.000 0.000 3/47916 900.0 3.515 3.515 4.358 -0.000 0.000 0.000 3/47916 910.0 3.476 3.476 4.310 -0.000 0.000 0.000 3/47916 920.0 3.438 3.438 4.264 -0.000 0.000 0.000 3/47916 930.0 3.401 3.401 4.218 -0.000 0.000 0.000 3/47916 940.0 3.365 3.365 4.173 -0.000 0.000 0.000 3/47916 950.0 3.329 3.329 4.130 -0.000 0.000 0.000 3/47916 960.0 3.294 3.294 4.087 -0.000 0.000 0.000 3/47916 970.0 3.260 3.260 4.045 -0.000 0.000 0.000 3/47916 980.0 3.227 3.227 4.004 -0.000 0.000 0.000 3/47916 990.0 3.194 3.194 3.964 -0.000 0.000 0.000 3/47916 1000.0 3.162 3.162 3.924 -0.000 0.000 0.000 3/47916 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:45:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|