----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:16:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 -3.654418355000000 3.654418355000000 3.234938425000000 b 3.654418355000000 -3.654418355000000 3.234938425000000 c 3.654418355000000 3.654418355000000 -3.234938425000000 Atomic positions (fractional): *1 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 2 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 *3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 *5 O 0.51015834763953 0.33192186929514 0.17823647834438 15.999 6 O 0.66807813070486 0.84631460904925 0.17823647834438 15.999 7 O 0.08192186929514 0.40368539095075 0.32176352165561 15.999 8 O 0.66807813070486 0.48984165236047 0.82176352165561 15.999 9 O 0.15368539095075 0.33192186929514 0.82176352165561 15.999 10 O 0.23984165236047 0.91807813070486 0.32176352165562 15.999 11 O 0.59631460904925 0.91807813070486 0.67823647834439 15.999 12 O 0.08192186929514 0.76015834763953 0.67823647834439 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.308836710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.308836710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.469876850000000 Atomic positions (fractional): *1 Pr 0.50000000000000 0.00000000000000 0.75000000000000 140.908 > 1 2 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 2 3 Pr 0.00000000000000 0.50000000000000 0.25000000000000 140.908 > 1 4 Pr 0.50000000000000 0.50000000000000 0.50000000000000 140.908 > 2 *5 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 3 6 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 4 7 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 8 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 4 *9 O 0.00000000000000 0.17823647834438 0.33192186929514 15.999 > 5 10 O 0.17823647834438 0.00000000000000 0.66807813070486 15.999 > 6 11 O 0.82176352165561 0.50000000000000 0.58192186929514 15.999 > 7 12 O 0.32176352165562 0.50000000000000 0.16807813070486 15.999 > 8 13 O 0.50000000000000 0.32176352165562 0.83192186929514 15.999 > 9 14 O 0.00000000000000 0.32176352165562 0.91807813070486 15.999 > 10 15 O 0.00000000000000 0.67823647834439 0.91807813070486 15.999 > 11 16 O 0.17823647834438 0.50000000000000 0.58192186929514 15.999 > 12 17 O 0.50000000000000 0.67823647834439 0.83192186929514 15.999 > 5 18 O 0.67823647834439 0.50000000000000 0.16807813070486 15.999 > 6 19 O 0.32176352165562 0.00000000000000 0.08192186929514 15.999 > 7 20 O 0.82176352165561 0.00000000000000 0.66807813070486 15.999 > 8 21 O 0.00000000000000 0.82176352165561 0.33192186929514 15.999 > 9 22 O 0.50000000000000 0.82176352165561 0.41807813070486 15.999 > 10 23 O 0.50000000000000 0.17823647834438 0.41807813070486 15.999 > 11 24 O 0.67823647834439 0.00000000000000 0.08192186929514 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.308836710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.308836710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.939753700000001 Atomic positions (fractional): *1 Pr 0.50000000000000 0.00000000000000 0.37500000000000 140.908 > 1 2 Pr 0.50000000000000 0.00000000000000 0.87500000000000 140.908 > 1 3 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 2 4 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 2 5 Pr 0.00000000000000 0.50000000000000 0.12500000000000 140.908 > 1 6 Pr 0.00000000000000 0.50000000000000 0.62500000000000 140.908 > 1 7 Pr 0.50000000000000 0.50000000000000 0.25000000000000 140.908 > 2 8 Pr 0.50000000000000 0.50000000000000 0.75000000000000 140.908 > 2 *9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 3 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 3 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 4 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 4 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 3 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 4 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 4 *17 O 0.00000000000000 0.17823647834438 0.16596093464757 15.999 > 5 18 O 0.00000000000000 0.17823647834438 0.66596093464757 15.999 > 5 19 O 0.17823647834438 0.00000000000000 0.33403906535243 15.999 > 6 20 O 0.17823647834438 0.00000000000000 0.83403906535243 15.999 > 6 21 O 0.82176352165561 0.50000000000000 0.29096093464757 15.999 > 7 22 O 0.82176352165561 0.50000000000000 0.79096093464757 15.999 > 7 23 O 0.32176352165562 0.50000000000000 0.08403906535243 15.999 > 8 24 O 0.32176352165562 0.50000000000000 0.58403906535243 15.999 > 8 25 O 0.50000000000000 0.32176352165562 0.41596093464757 15.999 > 9 26 O 0.50000000000000 0.32176352165562 0.91596093464757 15.999 > 9 27 O 0.00000000000000 0.32176352165562 0.45903906535243 15.999 > 10 28 O 0.00000000000000 0.32176352165562 0.95903906535243 15.999 > 10 29 O 0.00000000000000 0.67823647834439 0.45903906535243 15.999 > 11 30 O 0.00000000000000 0.67823647834439 0.95903906535243 15.999 > 11 31 O 0.17823647834438 0.50000000000000 0.29096093464757 15.999 > 12 32 O 0.17823647834438 0.50000000000000 0.79096093464757 15.999 > 12 33 O 0.50000000000000 0.67823647834439 0.41596093464757 15.999 > 5 34 O 0.50000000000000 0.67823647834439 0.91596093464757 15.999 > 5 35 O 0.67823647834439 0.50000000000000 0.08403906535243 15.999 > 6 36 O 0.67823647834439 0.50000000000000 0.58403906535243 15.999 > 6 37 O 0.32176352165562 0.00000000000000 0.04096093464757 15.999 > 7 38 O 0.32176352165562 0.00000000000000 0.54096093464757 15.999 > 7 39 O 0.82176352165561 0.00000000000000 0.33403906535243 15.999 > 8 40 O 0.82176352165561 0.00000000000000 0.83403906535243 15.999 > 8 41 O 0.00000000000000 0.82176352165561 0.16596093464757 15.999 > 9 42 O 0.00000000000000 0.82176352165561 0.66596093464757 15.999 > 9 43 O 0.50000000000000 0.82176352165561 0.20903906535243 15.999 > 10 44 O 0.50000000000000 0.82176352165561 0.70903906535243 15.999 > 10 45 O 0.50000000000000 0.17823647834438 0.20903906535243 15.999 > 11 46 O 0.50000000000000 0.17823647834438 0.70903906535243 15.999 > 11 47 O 0.67823647834439 0.00000000000000 0.04096093464757 15.999 > 12 48 O 0.67823647834439 0.00000000000000 0.54096093464757 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4211850 0.0000000 0.0000000 0.0000000 3.4211850 0.0000000 0.0000000 0.0000000 3.8389354 -------------------------- Born effective charges -------------------------- 1 Pr 4.1656008 0.0000000 0.0000000 0.0000000 4.1656008 0.0000000 0.0000000 0.0000000 4.5732728 2 Pr 4.1656008 0.0000000 0.0000000 0.0000000 4.1656008 0.0000000 0.0000000 0.0000000 4.5732728 3 As 3.2530680 0.0000000 0.0000000 0.0000000 3.2530680 0.0000000 0.0000000 0.0000000 4.2575165 4 As 3.2530680 0.0000000 0.0000000 0.0000000 3.2530680 0.0000000 0.0000000 0.0000000 4.2575165 5 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 0.5455980 0.0000000 0.4703303 -2.2076973 6 O -2.6444357 0.0000000 -0.5455980 0.0000000 -1.0648987 0.0000000 -0.4703303 0.0000000 -2.2076973 7 O -2.6444357 0.0000000 -0.5455980 0.0000000 -1.0648987 0.0000000 -0.4703303 0.0000000 -2.2076973 8 O -2.6444357 0.0000000 0.5455980 0.0000000 -1.0648987 0.0000000 0.4703303 0.0000000 -2.2076973 9 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 -0.5455980 0.0000000 -0.4703303 -2.2076973 10 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 0.5455980 0.0000000 0.4703303 -2.2076973 11 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 -0.5455980 0.0000000 -0.4703303 -2.2076973 12 O -2.6444357 0.0000000 0.5455980 0.0000000 -1.0648987 0.0000000 0.4703303 0.0000000 -2.2076973 ---------------------------------------------------------------------------- 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: 0.055 Solver_block: 160 / 160 - Time: 0.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.091 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:16:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:16:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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 -3.654418355000000 3.654418355000000 3.234938425000000 b 3.654418355000000 -3.654418355000000 3.234938425000000 c 3.654418355000000 3.654418355000000 -3.234938425000000 Atomic positions (fractional): 1 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 2 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.51015834763953 0.33192186929514 0.17823647834438 15.999 6 O 0.66807813070486 0.84631460904925 0.17823647834438 15.999 7 O 0.08192186929514 0.40368539095075 0.32176352165561 15.999 8 O 0.66807813070486 0.48984165236047 0.82176352165561 15.999 9 O 0.15368539095075 0.33192186929514 0.82176352165561 15.999 10 O 0.23984165236047 0.91807813070486 0.32176352165562 15.999 11 O 0.59631460904925 0.91807813070486 0.67823647834439 15.999 12 O 0.08192186929514 0.76015834763953 0.67823647834439 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.308836710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.308836710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.939753700000001 Atomic positions (fractional): 1 Pr 0.50000000000000 0.00000000000000 0.37500000000000 140.908 > 1 2 Pr 0.50000000000000 0.00000000000000 0.87500000000000 140.908 > 1 3 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 3 4 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 3 5 Pr 0.00000000000000 0.50000000000000 0.12500000000000 140.908 > 1 6 Pr 0.00000000000000 0.50000000000000 0.62500000000000 140.908 > 1 7 Pr 0.50000000000000 0.50000000000000 0.25000000000000 140.908 > 3 8 Pr 0.50000000000000 0.50000000000000 0.75000000000000 140.908 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.00000000000000 0.17823647834438 0.16596093464757 15.999 > 17 18 O 0.00000000000000 0.17823647834438 0.66596093464757 15.999 > 17 19 O 0.17823647834438 0.00000000000000 0.33403906535243 15.999 > 19 20 O 0.17823647834438 0.00000000000000 0.83403906535243 15.999 > 19 21 O 0.82176352165561 0.50000000000000 0.29096093464757 15.999 > 21 22 O 0.82176352165561 0.50000000000000 0.79096093464757 15.999 > 21 23 O 0.32176352165562 0.50000000000000 0.08403906535243 15.999 > 23 24 O 0.32176352165562 0.50000000000000 0.58403906535243 15.999 > 23 25 O 0.50000000000000 0.32176352165562 0.41596093464757 15.999 > 25 26 O 0.50000000000000 0.32176352165562 0.91596093464757 15.999 > 25 27 O 0.00000000000000 0.32176352165562 0.45903906535243 15.999 > 27 28 O 0.00000000000000 0.32176352165562 0.95903906535243 15.999 > 27 29 O 0.00000000000000 0.67823647834439 0.45903906535243 15.999 > 29 30 O 0.00000000000000 0.67823647834439 0.95903906535243 15.999 > 29 31 O 0.17823647834438 0.50000000000000 0.29096093464757 15.999 > 31 32 O 0.17823647834438 0.50000000000000 0.79096093464757 15.999 > 31 33 O 0.50000000000000 0.67823647834439 0.41596093464757 15.999 > 17 34 O 0.50000000000000 0.67823647834439 0.91596093464757 15.999 > 17 35 O 0.67823647834439 0.50000000000000 0.08403906535243 15.999 > 19 36 O 0.67823647834439 0.50000000000000 0.58403906535243 15.999 > 19 37 O 0.32176352165562 0.00000000000000 0.04096093464757 15.999 > 21 38 O 0.32176352165562 0.00000000000000 0.54096093464757 15.999 > 21 39 O 0.82176352165561 0.00000000000000 0.33403906535243 15.999 > 23 40 O 0.82176352165561 0.00000000000000 0.83403906535243 15.999 > 23 41 O 0.00000000000000 0.82176352165561 0.16596093464757 15.999 > 25 42 O 0.00000000000000 0.82176352165561 0.66596093464757 15.999 > 25 43 O 0.50000000000000 0.82176352165561 0.20903906535243 15.999 > 27 44 O 0.50000000000000 0.82176352165561 0.70903906535243 15.999 > 27 45 O 0.50000000000000 0.17823647834438 0.20903906535243 15.999 > 29 46 O 0.50000000000000 0.17823647834438 0.70903906535243 15.999 > 29 47 O 0.67823647834439 0.00000000000000 0.04096093464757 15.999 > 31 48 O 0.67823647834439 0.00000000000000 0.54096093464757 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4211850 0.0000000 0.0000000 0.0000000 3.4211850 0.0000000 0.0000000 0.0000000 3.8389354 -------------------------- Born effective charges -------------------------- 1 Pr 4.1656008 0.0000000 0.0000000 0.0000000 4.1656008 0.0000000 0.0000000 0.0000000 4.5732728 2 Pr 4.1656008 0.0000000 0.0000000 0.0000000 4.1656008 0.0000000 0.0000000 0.0000000 4.5732728 3 As 3.2530680 0.0000000 0.0000000 0.0000000 3.2530680 0.0000000 0.0000000 0.0000000 4.2575165 4 As 3.2530680 0.0000000 0.0000000 0.0000000 3.2530680 0.0000000 0.0000000 0.0000000 4.2575165 5 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 0.5455980 0.0000000 0.4703303 -2.2076973 6 O -2.6444357 0.0000000 -0.5455980 0.0000000 -1.0648987 0.0000000 -0.4703303 0.0000000 -2.2076973 7 O -2.6444357 0.0000000 -0.5455980 0.0000000 -1.0648987 0.0000000 -0.4703303 0.0000000 -2.2076973 8 O -2.6444357 0.0000000 0.5455980 0.0000000 -1.0648987 0.0000000 0.4703303 0.0000000 -2.2076973 9 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 -0.5455980 0.0000000 -0.4703303 -2.2076973 10 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 0.5455980 0.0000000 0.4703303 -2.2076973 11 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 -0.5455980 0.0000000 -0.4703303 -2.2076973 12 O -2.6444357 0.0000000 0.5455980 0.0000000 -1.0648987 0.0000000 0.4703303 0.0000000 -2.2076973 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000017 (yzy) 0.00000017 (yzy) 0.00000017 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-09 01:16:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:16:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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 -3.654418355000000 3.654418355000000 3.234938425000000 b 3.654418355000000 -3.654418355000000 3.234938425000000 c 3.654418355000000 3.654418355000000 -3.234938425000000 Atomic positions (fractional): 1 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 2 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.51015834763953 0.33192186929514 0.17823647834438 15.999 6 O 0.66807813070486 0.84631460904925 0.17823647834438 15.999 7 O 0.08192186929514 0.40368539095075 0.32176352165561 15.999 8 O 0.66807813070486 0.48984165236047 0.82176352165561 15.999 9 O 0.15368539095075 0.33192186929514 0.82176352165561 15.999 10 O 0.23984165236047 0.91807813070486 0.32176352165562 15.999 11 O 0.59631460904925 0.91807813070486 0.67823647834439 15.999 12 O 0.08192186929514 0.76015834763953 0.67823647834439 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.308836710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.308836710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.939753700000001 Atomic positions (fractional): 1 Pr 0.50000000000000 0.00000000000000 0.37500000000000 140.908 > 1 2 Pr 0.50000000000000 0.00000000000000 0.87500000000000 140.908 > 1 3 Pr 0.00000000000000 0.00000000000000 0.00000000000000 140.908 > 3 4 Pr 0.00000000000000 0.00000000000000 0.50000000000000 140.908 > 3 5 Pr 0.00000000000000 0.50000000000000 0.12500000000000 140.908 > 1 6 Pr 0.00000000000000 0.50000000000000 0.62500000000000 140.908 > 1 7 Pr 0.50000000000000 0.50000000000000 0.25000000000000 140.908 > 3 8 Pr 0.50000000000000 0.50000000000000 0.75000000000000 140.908 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.00000000000000 0.17823647834438 0.16596093464757 15.999 > 17 18 O 0.00000000000000 0.17823647834438 0.66596093464757 15.999 > 17 19 O 0.17823647834438 0.00000000000000 0.33403906535243 15.999 > 19 20 O 0.17823647834438 0.00000000000000 0.83403906535243 15.999 > 19 21 O 0.82176352165561 0.50000000000000 0.29096093464757 15.999 > 21 22 O 0.82176352165561 0.50000000000000 0.79096093464757 15.999 > 21 23 O 0.32176352165562 0.50000000000000 0.08403906535243 15.999 > 23 24 O 0.32176352165562 0.50000000000000 0.58403906535243 15.999 > 23 25 O 0.50000000000000 0.32176352165562 0.41596093464757 15.999 > 25 26 O 0.50000000000000 0.32176352165562 0.91596093464757 15.999 > 25 27 O 0.00000000000000 0.32176352165562 0.45903906535243 15.999 > 27 28 O 0.00000000000000 0.32176352165562 0.95903906535243 15.999 > 27 29 O 0.00000000000000 0.67823647834439 0.45903906535243 15.999 > 29 30 O 0.00000000000000 0.67823647834439 0.95903906535243 15.999 > 29 31 O 0.17823647834438 0.50000000000000 0.29096093464757 15.999 > 31 32 O 0.17823647834438 0.50000000000000 0.79096093464757 15.999 > 31 33 O 0.50000000000000 0.67823647834439 0.41596093464757 15.999 > 17 34 O 0.50000000000000 0.67823647834439 0.91596093464757 15.999 > 17 35 O 0.67823647834439 0.50000000000000 0.08403906535243 15.999 > 19 36 O 0.67823647834439 0.50000000000000 0.58403906535243 15.999 > 19 37 O 0.32176352165562 0.00000000000000 0.04096093464757 15.999 > 21 38 O 0.32176352165562 0.00000000000000 0.54096093464757 15.999 > 21 39 O 0.82176352165561 0.00000000000000 0.33403906535243 15.999 > 23 40 O 0.82176352165561 0.00000000000000 0.83403906535243 15.999 > 23 41 O 0.00000000000000 0.82176352165561 0.16596093464757 15.999 > 25 42 O 0.00000000000000 0.82176352165561 0.66596093464757 15.999 > 25 43 O 0.50000000000000 0.82176352165561 0.20903906535243 15.999 > 27 44 O 0.50000000000000 0.82176352165561 0.70903906535243 15.999 > 27 45 O 0.50000000000000 0.17823647834438 0.20903906535243 15.999 > 29 46 O 0.50000000000000 0.17823647834438 0.70903906535243 15.999 > 29 47 O 0.67823647834439 0.00000000000000 0.04096093464757 15.999 > 31 48 O 0.67823647834439 0.00000000000000 0.54096093464757 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4211850 0.0000000 0.0000000 0.0000000 3.4211850 0.0000000 0.0000000 0.0000000 3.8389354 -------------------------- Born effective charges -------------------------- 1 Pr 4.1656008 0.0000000 0.0000000 0.0000000 4.1656008 0.0000000 0.0000000 0.0000000 4.5732728 2 Pr 4.1656008 0.0000000 0.0000000 0.0000000 4.1656008 0.0000000 0.0000000 0.0000000 4.5732728 3 As 3.2530680 0.0000000 0.0000000 0.0000000 3.2530680 0.0000000 0.0000000 0.0000000 4.2575165 4 As 3.2530680 0.0000000 0.0000000 0.0000000 3.2530680 0.0000000 0.0000000 0.0000000 4.2575165 5 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 0.5455980 0.0000000 0.4703303 -2.2076973 6 O -2.6444357 0.0000000 -0.5455980 0.0000000 -1.0648987 0.0000000 -0.4703303 0.0000000 -2.2076973 7 O -2.6444357 0.0000000 -0.5455980 0.0000000 -1.0648987 0.0000000 -0.4703303 0.0000000 -2.2076973 8 O -2.6444357 0.0000000 0.5455980 0.0000000 -1.0648987 0.0000000 0.4703303 0.0000000 -2.2076973 9 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 -0.5455980 0.0000000 -0.4703303 -2.2076973 10 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 0.5455980 0.0000000 0.4703303 -2.2076973 11 O -1.0648987 0.0000000 0.0000000 0.0000000 -2.6444357 -0.5455980 0.0000000 -0.4703303 -2.2076973 12 O -2.6444357 0.0000000 0.5455980 0.0000000 -1.0648987 0.0000000 0.4703303 0.0000000 -2.2076973 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000017 (yzy) 0.00000017 (yzy) 0.00000017 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 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 2.538 ( 0.000 0.000 -0.000) 0.000 2.981 ( 0.000 -0.000 -0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.931 ( -0.000 0.000 -0.000) 0.000 4.792 ( 0.000 0.000 -0.000) 0.000 4.792 ( -0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 -0.000) 0.000 5.116 ( 0.000 -0.000 -0.000) 0.000 5.125 ( 0.000 0.000 -0.000) 0.000 6.579 ( 0.000 0.000 -0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.973 ( -0.000 0.000 0.000) 0.000 6.973 ( 0.000 -0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 8.254 ( -0.000 0.000 -0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 9.283 ( -0.000 0.000 -0.000) 0.000 9.827 ( -0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 -0.000) 0.000 11.471 ( -0.000 0.000 0.000) 0.000 12.117 ( 0.000 0.000 -0.000) 0.000 12.117 ( -0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 -0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.708 ( -0.000 0.000 0.000) 0.000 22.092 ( 0.000 0.000 0.000) 0.000 22.092 ( -0.000 0.000 -0.000) 0.000 22.651 ( 0.000 -0.000 0.000) 0.000 22.651 ( 0.000 0.000 -0.000) 0.000 23.550 ( -0.000 0.000 0.000) 0.000 24.042 ( -0.000 0.000 -0.000) 0.000 24.644 ( 0.000 0.000 0.000) 0.000 24.922 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -0.000 4.634 25.298) 25.719 0.809 ( -0.000 37.027 19.575) 41.882 1.297 ( -0.000 25.128 60.544) 65.552 2.601 ( -0.000 3.156 4.860) 5.795 3.046 ( 0.000 8.073 0.921) 8.125 3.056 ( 0.000 9.655 0.820) 9.689 4.024 ( -0.000 -3.376 14.135) 14.533 4.564 ( 0.000 -0.384 -20.898) 20.901 4.643 ( 0.000 5.719 -20.163) 20.958 5.138 ( -0.000 -0.725 2.520) 2.622 5.288 ( -0.000 -0.389 14.122) 14.128 5.491 ( 0.000 20.149 -15.424) 25.375 6.612 ( -0.000 2.994 1.541) 3.367 6.678 ( 0.000 1.535 -8.814) 8.947 6.972 ( -0.000 -3.804 3.510) 5.176 7.004 ( -0.000 0.731 3.582) 3.656 8.174 ( -0.000 -18.607 12.959) 22.675 8.265 ( -0.000 -1.281 2.381) 2.704 8.485 ( -0.000 -39.916 26.636) 47.987 9.230 ( 0.000 -3.956 -3.173) 5.071 9.857 ( -0.000 0.494 3.396) 3.432 10.459 ( 0.000 44.645 -39.463) 59.586 11.506 ( -0.000 3.171 1.046) 3.339 12.063 ( 0.000 -4.590 -2.748) 5.350 12.093 ( 0.000 0.755 -3.665) 3.741 13.232 ( 0.000 -1.738 -27.411) 27.466 13.876 ( -0.000 -62.861 58.542) 85.899 14.095 ( -0.000 -2.419 26.225) 26.336 22.100 ( -0.000 -0.289 1.192) 1.227 22.590 ( 0.000 16.160 -17.404) 23.750 22.648 ( 0.000 0.485 -0.781) 0.919 22.688 ( 0.000 30.846 -24.974) 39.689 23.993 ( 0.000 0.493 -6.164) 6.183 24.664 ( -0.000 -0.138 2.247) 2.251 24.902 ( 0.000 0.489 -2.938) 2.979 25.883 ( -0.000 -32.216 28.130) 42.769 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 4.750 24.801) 25.252 1.613 ( -0.000 34.786 20.556) 40.405 2.538 ( -0.000 23.500 55.854) 60.596 2.742 ( -0.000 4.418 5.172) 6.802 3.219 ( 0.000 13.761 1.648) 13.859 3.256 ( 0.000 16.759 1.259) 16.806 4.168 ( -0.000 -5.347 4.555) 7.024 4.236 ( 0.000 -1.221 -18.829) 18.869 4.507 ( 0.000 6.156 0.600) 6.185 5.176 ( -0.000 -1.089 3.938) 4.086 5.442 ( 0.000 -5.387 -4.903) 7.284 5.457 ( -0.000 -0.903 8.425) 8.473 6.520 ( 0.000 3.626 -15.716) 16.129 6.698 ( -0.000 4.598 2.270) 5.128 6.985 ( -0.000 -4.668 5.732) 7.392 7.109 ( -0.000 2.761 6.933) 7.463 8.068 ( -0.000 -18.252 4.139) 18.715 8.286 ( -0.000 -2.746 3.557) 4.494 8.298 ( -0.000 -16.532 0.972) 16.560 9.083 ( 0.000 -7.130 -5.728) 9.146 9.940 ( -0.000 0.699 6.108) 6.147 10.492 ( 0.000 23.934 -16.445) 29.039 11.556 ( 0.000 3.499 -2.137) 4.100 11.925 ( 0.000 -7.434 -3.063) 8.040 12.029 ( 0.000 1.374 -6.271) 6.420 12.807 ( 0.000 -2.747 -23.059) 23.222 13.938 ( -0.000 -26.742 28.578) 39.138 14.418 ( -0.000 -3.411 20.350) 20.634 22.118 ( -0.000 -0.545 1.849) 1.928 22.552 ( 0.000 1.809 -3.202) 3.678 22.642 ( 0.000 0.875 -1.196) 1.482 22.714 ( 0.000 20.781 -17.360) 27.078 23.887 ( 0.000 1.165 -8.418) 8.498 24.687 ( -0.000 -1.586 1.587) 2.244 24.851 ( 0.000 0.565 -4.200) 4.238 25.877 ( -0.000 -17.846 15.458) 23.610 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.000 4.537 23.522) 23.956 2.379 ( -0.000 29.853 20.445) 36.183 2.825 ( 0.000 3.322 -3.015) 4.486 3.453 ( 0.000 14.500 2.814) 14.770 3.456 ( 0.000 22.333 4.907) 22.866 3.687 ( -0.000 14.208 36.313) 38.994 3.986 ( 0.000 -1.290 -10.376) 10.455 4.078 ( 0.000 2.590 -1.350) 2.921 4.796 ( -0.000 1.215 23.698) 23.729 5.201 ( -0.000 -17.571 -4.907) 18.244 5.224 ( -0.000 -1.512 4.362) 4.616 5.526 ( -0.000 -1.116 2.640) 2.867 6.309 ( 0.000 5.063 -18.593) 19.270 6.793 ( -0.000 3.981 2.105) 4.504 7.005 ( -0.000 -3.544 2.596) 4.393 7.291 ( -0.000 6.112 8.447) 10.426 7.761 ( 0.000 -15.127 -12.203) 19.435 8.130 ( -0.000 -11.459 2.054) 11.642 8.285 ( -0.000 -4.753 2.394) 5.322 8.878 ( 0.000 -8.008 -6.381) 10.239 10.054 ( -0.000 0.531 7.002) 7.022 10.605 ( 0.000 17.688 -6.306) 18.778 11.466 ( 0.000 -6.110 -7.731) 9.854 11.840 ( -0.000 -0.748 0.440) 0.868 11.946 ( 0.000 1.589 -6.837) 7.019 12.459 ( 0.000 -3.283 -16.338) 16.665 14.019 ( -0.000 -12.933 16.792) 21.195 14.628 ( -0.000 -3.826 13.365) 13.901 22.139 ( -0.000 -0.642 1.729) 1.844 22.546 ( -0.000 -1.771 2.417) 2.996 22.637 ( 0.000 0.987 -1.089) 1.470 22.717 ( 0.000 15.344 -14.276) 20.958 23.781 ( 0.000 1.520 -7.249) 7.407 24.659 ( -0.000 -3.264 -0.616) 3.322 24.802 ( 0.000 0.471 -2.892) 2.930 25.873 ( -0.000 -11.104 9.678) 14.730 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.000 3.366 19.038) 19.333 2.731 ( 0.000 0.861 -11.239) 11.272 3.026 ( -0.000 21.347 16.502) 26.982 3.673 ( -0.000 9.748 3.368) 10.313 3.682 ( 0.000 1.214 -0.696) 1.399 3.878 ( 0.000 -0.879 -2.910) 3.040 3.899 ( 0.000 19.359 -7.509) 20.764 4.614 ( -0.000 -0.926 25.183) 25.200 4.894 ( -0.000 -14.652 8.686) 17.033 5.183 ( -0.000 6.046 17.462) 18.479 5.265 ( -0.000 -1.223 3.200) 3.426 5.526 ( -0.000 -0.823 -0.200) 0.847 6.127 ( 0.000 3.939 -9.807) 10.569 6.852 ( 0.000 -7.451 -17.091) 18.645 6.863 ( -0.000 2.161 1.347) 2.547 7.437 ( 0.000 -5.174 -6.130) 8.022 7.516 ( -0.000 7.791 7.151) 10.575 8.030 ( -0.000 -7.995 2.189) 8.289 8.212 ( -0.000 -7.009 -1.369) 7.141 8.706 ( 0.000 -4.703 -3.474) 5.846 10.155 ( -0.000 0.218 4.881) 4.886 10.763 ( 0.000 14.431 -2.246) 14.605 11.222 ( 0.000 -11.901 -5.437) 13.084 11.873 ( 0.000 1.108 -4.618) 4.749 11.877 ( 0.000 3.187 0.951) 3.325 12.216 ( 0.000 -3.324 -9.060) 9.650 14.091 ( -0.000 -5.212 8.237) 9.747 14.734 ( -0.000 -2.658 6.380) 6.911 22.153 ( -0.000 -0.443 0.996) 1.090 22.577 ( -0.000 -3.594 6.119) 7.096 22.635 ( 0.000 0.664 -0.608) 0.900 22.692 ( 0.000 10.477 -11.846) 15.814 23.711 ( 0.000 1.120 -4.021) 4.174 24.602 ( 0.000 -2.540 -0.877) 2.687 24.772 ( 0.000 -0.008 -1.512) 1.512 25.871 ( -0.000 -5.426 4.730) 7.198 ======================= Grid point 5 (6/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 3.393 ( -0.000 0.000 0.000) 0.000 3.554 ( 0.000 -0.000 -0.000) 0.000 3.795 ( -0.000 0.000 0.000) 0.000 3.831 ( -0.000 0.000 0.000) 0.000 4.112 ( -0.000 0.000 0.000) 0.000 4.472 ( -0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 -0.000) 0.000 5.283 ( -0.000 0.000 0.000) 0.000 5.367 ( -0.000 0.000 0.000) 0.000 5.516 ( -0.000 0.000 0.000) 0.000 6.204 ( -0.000 0.000 0.000) 0.000 6.467 ( -0.000 0.000 0.000) 0.000 6.889 ( -0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.652 ( -0.000 0.000 0.000) 0.000 7.989 ( -0.000 0.000 0.000) 0.000 8.122 ( -0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 10.196 ( -0.000 0.000 0.000) 0.000 10.886 ( -0.000 -0.000 0.000) 0.000 11.052 ( -0.000 0.000 0.000) 0.000 11.843 ( -0.000 0.000 0.000) 0.000 11.920 ( -0.000 0.000 0.000) 0.000 12.111 ( -0.000 0.000 0.000) 0.000 14.121 ( -0.000 0.000 0.000) 0.000 14.763 ( -0.000 0.000 0.000) 0.000 22.157 ( -0.000 0.000 0.000) 0.000 22.617 ( -0.000 -0.000 0.000) 0.000 22.635 ( -0.000 0.000 0.000) 0.000 22.654 ( 0.000 0.000 -0.000) 0.000 23.688 ( -0.000 0.000 0.000) 0.000 24.577 ( -0.000 0.000 0.000) 0.000 24.759 ( -0.000 0.000 0.000) 0.000 25.871 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 15.804 15.804 21.659) 31.123 1.177 ( 20.930 20.930 19.955) 35.697 2.370 ( 8.784 8.784 63.471) 64.675 2.726 ( 2.843 2.843 8.245) 9.173 3.098 ( 7.214 7.214 -0.476) 10.214 3.150 ( 9.960 9.960 2.155) 14.250 4.154 ( -5.689 -5.689 -4.378) 9.159 4.319 ( 3.405 3.405 -20.819) 21.369 4.427 ( 2.924 2.924 11.033) 11.782 5.183 ( -0.629 -0.629 3.960) 4.059 5.409 ( -4.396 -4.396 7.492) 9.735 5.525 ( 2.873 2.873 0.998) 4.184 6.494 ( 1.869 1.869 -16.023) 16.239 6.665 ( 2.481 2.481 2.678) 4.414 7.055 ( -1.184 -1.184 6.196) 6.419 7.057 ( -0.815 -0.815 5.991) 6.101 8.220 ( -9.017 -9.017 2.867) 13.071 8.272 ( -3.728 -3.728 3.777) 6.485 8.457 ( -12.735 -12.735 -4.816) 18.643 9.132 ( -3.746 -3.746 -6.052) 8.043 9.955 ( 1.783 1.783 6.135) 6.633 10.272 ( 17.094 17.094 -12.387) 27.164 11.532 ( 1.996 1.996 -0.343) 2.844 11.995 ( -1.065 -1.065 -6.094) 6.278 11.999 ( -1.344 -1.344 -5.175) 5.513 12.825 ( -1.235 -1.235 -23.480) 23.544 14.185 ( -22.892 -22.892 22.832) 39.615 14.431 ( -2.289 -2.289 20.020) 20.280 22.111 ( -1.095 -1.095 1.706) 2.304 22.461 ( 16.234 16.234 -12.178) 25.988 22.574 ( -1.481 -1.481 -3.521) 4.097 22.691 ( 4.396 4.396 -0.768) 6.264 23.879 ( 1.115 1.115 -8.837) 8.976 24.701 ( 0.019 0.019 1.918) 1.918 24.843 ( 0.532 0.532 -4.805) 4.863 26.018 ( -14.000 -14.000 12.191) 23.252 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 27.061 3.287 22.158) 35.129 1.943 ( 3.166 35.503 19.645) 40.699 2.827 ( 3.481 1.606 2.299) 4.470 3.212 ( 4.506 14.812 -2.018) 15.613 3.306 ( 6.870 13.477 11.562) 19.040 3.544 ( 7.491 13.164 44.972) 47.454 3.956 ( -5.216 -2.740 -8.471) 10.319 4.097 ( 3.650 1.646 -9.773) 10.561 4.776 ( 0.196 1.317 23.766) 23.804 5.237 ( -0.808 -1.301 4.514) 4.766 5.367 ( -4.493 -10.746 -0.901) 11.682 5.530 ( -1.484 -1.349 0.074) 2.007 6.261 ( 2.206 3.993 -18.126) 18.691 6.748 ( 0.851 2.798 2.837) 4.074 7.089 ( 2.929 -4.942 4.921) 7.564 7.198 ( -3.132 4.432 6.900) 8.778 7.925 ( -5.924 -13.153 -17.316) 22.537 8.250 ( -3.369 -8.176 1.980) 9.062 8.318 ( -3.065 -3.915 1.652) 5.239 8.952 ( -3.422 -6.169 -7.827) 10.537 10.074 ( 3.412 0.662 6.891) 7.718 10.387 ( 4.883 16.158 -3.901) 17.324 11.514 ( 0.786 -0.607 -4.542) 4.650 11.869 ( -0.187 -2.752 -4.169) 4.999 11.919 ( -1.043 0.946 -5.271) 5.456 12.489 ( -0.774 -1.879 -16.902) 17.024 14.192 ( -7.359 -16.412 14.322) 22.992 14.647 ( -3.462 -3.100 12.558) 13.390 22.124 ( -2.490 -0.703 1.467) 2.974 22.500 ( -7.622 -3.825 0.711) 8.558 22.524 ( 9.698 15.008 -10.467) 20.709 22.744 ( 9.129 4.501 -0.163) 10.180 23.770 ( 1.650 1.949 -7.614) 8.031 24.706 ( 0.975 -1.942 -0.234) 2.185 24.782 ( -0.575 1.349 -4.075) 4.331 25.984 ( -8.679 -13.139 8.263) 17.783 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 24.325 2.851 20.045) 31.649 2.670 ( 0.448 21.795 13.339) 25.557 2.809 ( 9.168 7.052 -2.439) 11.821 3.406 ( -1.600 22.995 -4.948) 23.576 3.592 ( 8.056 13.764 4.631) 16.606 3.806 ( -4.602 -4.429 -3.491) 7.279 3.926 ( 2.742 -1.233 -2.440) 3.872 4.555 ( 4.005 9.537 43.873) 45.076 5.090 ( 1.723 -0.922 0.837) 2.126 5.138 ( -4.069 -11.682 7.162) 14.294 5.283 ( -0.587 -1.752 3.914) 4.328 5.504 ( -4.589 -0.822 -1.485) 4.893 6.095 ( 1.929 2.838 -6.685) 7.514 6.796 ( -3.771 -0.261 -2.412) 4.484 7.013 ( 6.714 -5.554 -7.448) 11.463 7.368 ( -5.144 6.104 2.908) 8.496 7.529 ( 0.933 -4.316 -9.345) 10.336 8.145 ( -1.896 -9.633 0.880) 9.857 8.273 ( -3.697 -5.633 -0.699) 6.774 8.751 ( -3.264 -5.237 -6.832) 9.206 10.174 ( 2.994 0.224 4.684) 5.564 10.561 ( 1.406 14.732 -1.575) 14.882 11.368 ( 0.309 -7.981 -5.222) 9.542 11.816 ( -2.643 0.864 -1.764) 3.293 11.879 ( 2.055 1.848 -1.780) 3.287 12.257 ( -0.000 -2.264 -9.513) 9.779 14.186 ( -2.140 -9.509 7.610) 12.366 14.738 ( -4.210 -2.721 4.720) 6.885 22.133 ( -3.016 -0.456 0.713) 3.133 22.451 ( -9.827 0.911 -3.563) 10.493 22.583 ( 6.003 6.742 -2.037) 9.254 22.808 ( 13.254 3.664 1.099) 13.795 23.706 ( 2.523 2.309 -4.237) 5.445 24.649 ( 1.039 -3.091 -1.570) 3.619 24.755 ( -1.044 1.340 -2.336) 2.888 25.923 ( -7.556 -9.796 4.336) 13.109 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 25.022 0.147 4.178) 25.369 2.658 ( 5.460 -0.866 0.216) 5.532 3.267 ( 2.142 15.195 11.831) 19.376 3.643 ( -2.126 -9.325 -3.395) 10.149 3.716 ( -2.558 20.909 0.888) 21.084 3.835 ( 4.990 18.376 -0.390) 19.045 3.879 ( 2.691 -2.732 0.249) 3.843 4.704 ( 0.119 -20.335 -3.404) 20.618 5.102 ( 0.925 4.813 -10.296) 11.403 5.291 ( -0.511 -1.193 0.582) 1.422 5.352 ( -0.304 2.609 17.092) 17.293 5.482 ( -4.109 -0.377 1.674) 4.453 6.205 ( 1.210 1.063 12.647) 12.749 6.479 ( -4.064 -5.481 -18.097) 19.340 6.931 ( 5.764 -0.111 0.563) 5.792 7.379 ( -1.001 0.644 -0.803) 1.436 7.594 ( -1.471 4.452 3.940) 6.124 8.034 ( -0.439 -4.565 -1.448) 4.809 8.137 ( -3.513 -6.305 -4.733) 8.632 8.629 ( -3.582 -0.841 -3.338) 4.968 10.214 ( 2.537 0.032 0.106) 2.539 10.735 ( -0.016 14.070 -1.402) 14.140 11.187 ( 0.759 -11.144 0.044) 11.170 11.821 ( -3.002 0.088 1.510) 3.362 11.913 ( 1.911 2.495 1.250) 3.382 12.135 ( 1.121 -1.744 -2.175) 3.005 14.154 ( -0.143 -4.587 0.331) 4.601 14.731 ( -4.771 -0.509 -2.288) 5.316 22.133 ( -3.022 -0.117 -0.259) 3.035 22.416 ( -11.301 2.845 -4.277) 12.414 22.643 ( 4.995 2.155 1.994) 5.794 22.876 ( 15.393 0.703 3.732) 15.855 23.700 ( 3.395 1.739 -0.315) 3.828 24.594 ( 0.494 -1.975 -0.699) 2.153 24.744 ( -1.014 1.150 -1.136) 1.908 25.853 ( -7.603 -5.299 -0.017) 9.267 ======================= Grid point 16 (11/102) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 24.702 -3.674 -16.195) 29.765 2.789 ( 5.916 -1.750 13.544) 14.883 3.307 ( 3.715 -15.570 -11.458) 19.685 3.580 ( -2.745 8.856 3.628) 9.956 3.804 ( 1.915 -6.581 -0.315) 6.861 3.895 ( 3.393 0.396 5.430) 6.415 4.117 ( 0.280 2.743 0.557) 2.813 4.491 ( -0.272 3.007 1.138) 3.227 4.819 ( 1.375 1.250 -27.421) 27.484 5.246 ( -1.758 -2.062 -5.281) 5.936 5.266 ( -2.522 -5.327 -21.192) 21.997 5.494 ( -2.827 -0.337 -0.768) 2.949 6.201 ( 2.054 -4.539 12.197) 13.175 6.709 ( -3.880 6.510 18.932) 20.392 6.943 ( 6.178 -0.059 1.926) 6.471 7.384 ( -0.130 1.631 0.480) 1.705 7.587 ( -3.311 -4.877 -5.071) 7.776 7.967 ( 1.388 1.138 -4.885) 5.205 8.088 ( -4.452 6.287 0.138) 7.705 8.621 ( -3.766 3.874 -0.224) 5.408 10.179 ( 3.053 -0.185 -4.208) 5.203 10.860 ( -2.114 2.964 -1.141) 3.816 11.134 ( 2.785 -1.097 7.743) 8.301 11.861 ( -3.228 -1.789 4.609) 5.904 11.938 ( 2.103 -1.669 0.947) 2.847 12.177 ( 0.675 2.648 7.183) 7.685 14.061 ( 0.172 -0.744 -7.790) 7.828 14.663 ( -4.848 2.611 -8.369) 10.018 22.123 ( -2.946 0.289 -1.130) 3.169 22.396 ( -11.135 3.544 -3.821) 12.294 22.701 ( 6.391 -0.372 3.724) 7.406 22.940 ( 14.128 -4.695 7.972) 16.888 23.739 ( 3.313 0.393 3.342) 4.722 24.582 ( 0.529 0.849 0.347) 1.058 24.755 ( -0.968 1.355 0.390) 1.710 25.778 ( -7.959 -0.174 -4.802) 9.297 ======================= Grid point 17 (12/102) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 27.483 -5.284 -19.401) 34.053 2.734 ( 1.201 -19.769 -17.454) 26.399 2.962 ( 9.621 -8.518 3.516) 13.322 3.641 ( 0.534 -10.148 0.413) 10.171 3.726 ( 2.781 -5.112 0.826) 5.877 3.902 ( -0.033 -18.966 -9.799) 21.348 3.983 ( 2.125 -5.140 -0.759) 5.614 4.171 ( 2.148 -7.276 -14.135) 16.042 4.792 ( -0.779 1.419 -26.353) 26.403 4.902 ( -3.683 21.321 6.019) 22.459 5.196 ( -1.329 1.407 -4.390) 4.798 5.489 ( -3.102 1.515 -1.868) 3.925 6.397 ( 2.148 -5.572 18.559) 19.496 6.840 ( -0.792 -3.453 1.040) 3.692 7.006 ( 3.912 0.725 -0.918) 4.083 7.369 ( -2.335 -7.609 -8.612) 11.727 7.550 ( -1.767 12.639 6.633) 14.383 7.969 ( -1.331 9.616 -4.577) 10.732 8.181 ( -3.876 6.461 -1.572) 7.697 8.737 ( -3.678 8.735 3.725) 10.184 10.090 ( 4.121 -0.591 -6.119) 7.401 10.807 ( -1.109 -10.524 4.731) 11.592 11.363 ( 2.372 9.100 10.643) 14.202 11.861 ( 0.052 -3.525 -0.275) 3.536 11.960 ( -1.227 -1.901 5.811) 6.236 12.402 ( -0.563 4.325 15.075) 15.693 13.893 ( -0.859 3.750 -16.498) 16.941 14.539 ( -4.373 4.660 -14.437) 15.788 22.107 ( -2.821 0.573 -1.638) 3.312 22.399 ( -9.922 3.883 -2.362) 10.914 22.745 ( 9.824 -1.354 3.408) 10.486 22.994 ( 9.900 -11.575 13.643) 20.448 23.813 ( 2.404 -0.683 6.405) 6.875 24.623 ( 1.281 3.306 0.627) 3.600 24.790 ( -0.902 1.317 1.704) 2.335 25.698 ( -8.464 5.375 -10.286) 14.364 ======================= Grid point 18 (13/102) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 33.408 -6.175 -17.846) 38.376 2.066 ( 6.006 -25.632 -24.728) 36.118 2.852 ( 3.363 -12.743 -6.162) 14.548 2.988 ( 5.739 -29.752 -36.170) 47.184 3.454 ( 4.734 -15.777 0.011) 16.471 3.556 ( 7.148 -17.127 -1.875) 18.653 4.005 ( -8.835 4.867 -3.834) 10.790 4.287 ( 6.626 2.784 14.027) 15.761 4.546 ( -1.779 -0.784 -2.356) 3.054 5.146 ( -2.026 2.389 -4.038) 5.110 5.232 ( -8.530 10.448 2.281) 13.680 5.493 ( 3.634 4.036 0.910) 5.507 6.587 ( 1.592 -4.520 14.630) 15.395 6.782 ( 1.690 -5.365 -0.020) 5.625 6.951 ( 2.183 1.938 -5.901) 6.584 7.142 ( -2.149 -4.979 -8.380) 9.982 7.785 ( -3.970 16.663 -5.943) 18.131 8.065 ( -3.451 12.766 -4.021) 13.822 8.215 ( -3.630 4.807 -3.217) 6.829 8.940 ( -3.756 9.848 4.758) 11.564 9.987 ( 4.807 -1.019 -5.491) 7.369 10.782 ( 1.098 -14.791 15.835) 21.696 11.613 ( 2.912 0.270 9.153) 9.609 11.816 ( 0.267 5.233 -3.569) 6.340 12.029 ( -3.371 -1.846 5.799) 6.958 12.750 ( -1.108 4.399 21.894) 22.359 13.649 ( -3.340 9.392 -27.315) 29.077 14.335 ( -3.619 4.834 -20.538) 21.407 22.090 ( -2.490 0.654 -1.624) 3.044 22.432 ( -8.590 4.311 -0.502) 9.624 22.765 ( 11.732 -1.841 1.858) 12.020 23.064 ( 7.387 -17.875 22.560) 29.716 23.913 ( 1.816 -0.785 7.519) 7.775 24.667 ( 1.533 2.803 -1.044) 3.361 24.844 ( -0.688 1.320 2.659) 3.047 25.603 ( -9.379 11.171 -16.946) 22.359 ======================= Grid point 19 (14/102) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 40.212 -7.736 -11.115) 42.431 1.312 ( 14.174 -24.074 -27.330) 39.082 1.855 ( 4.723 -44.902 -31.673) 55.151 2.706 ( 5.017 -7.657 -3.574) 9.828 3.244 ( 6.846 -13.611 -0.398) 15.241 3.298 ( 7.929 -15.743 -1.219) 17.669 3.921 ( -5.255 6.000 -12.410) 14.753 4.573 ( 1.634 1.013 18.600) 18.699 4.675 ( -0.821 0.239 12.852) 12.880 5.110 ( -2.212 1.873 -4.507) 5.359 5.213 ( -6.620 2.124 -10.511) 12.602 5.726 ( 5.585 -0.694 25.379) 25.996 6.700 ( 3.751 -4.835 1.664) 6.342 6.720 ( 1.674 -4.128 7.428) 8.661 6.916 ( 1.007 4.637 -4.011) 6.214 6.996 ( -3.272 -1.834 -4.377) 5.765 7.755 ( -8.209 18.902 -32.826) 38.759 8.152 ( -5.030 8.196 -3.401) 10.200 8.232 ( -2.756 5.945 -3.860) 7.605 9.123 ( -3.929 7.624 2.935) 9.065 9.902 ( 4.338 -1.351 -3.173) 5.542 10.941 ( 5.213 -16.569 34.805) 38.899 11.603 ( 3.998 -7.444 1.276) 8.545 11.926 ( -2.293 13.219 -4.433) 14.130 12.079 ( -4.051 -1.186 3.160) 5.273 13.174 ( -0.884 6.671 15.346) 16.757 13.271 ( -7.287 9.489 -33.980) 36.025 14.036 ( -2.720 3.665 -25.501) 25.906 22.077 ( -1.916 0.653 -1.042) 2.277 22.498 ( -7.310 4.854 0.600) 8.795 22.751 ( 8.925 -2.941 0.653) 9.420 23.252 ( 10.892 -20.902 38.540) 45.176 24.010 ( 2.003 0.044 5.165) 5.540 24.664 ( 0.875 0.656 -1.913) 2.204 24.890 ( -1.190 2.053 -0.492) 2.423 25.455 ( -10.864 14.404 -26.510) 32.067 ======================= Grid point 20 (15/102) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 21.885 -21.885 -0.000) 30.950 0.801 ( 29.091 -29.091 -0.000) 41.141 0.884 ( 32.023 -32.023 -0.000) 45.287 2.591 ( 4.192 -4.192 -0.000) 5.928 3.090 ( 7.737 -7.737 -0.000) 10.941 3.114 ( 9.070 -9.070 -0.000) 12.827 3.881 ( -3.623 3.623 0.000) 5.124 4.790 ( -0.333 0.333 0.000) 0.471 4.795 ( 0.043 -0.043 -0.000) 0.061 5.049 ( -3.871 3.871 0.000) 5.475 5.137 ( -0.144 0.144 0.000) 0.204 6.244 ( -7.213 7.213 0.000) 10.201 6.683 ( 5.963 -5.963 -0.000) 8.433 6.753 ( 1.159 -1.159 -0.000) 1.639 6.946 ( -1.829 1.829 0.000) 2.586 6.950 ( -1.450 1.450 0.000) 2.050 7.262 ( 0.026 -0.026 -0.000) 0.037 8.203 ( -3.694 3.694 0.000) 5.224 8.262 ( -3.289 3.289 0.000) 4.652 9.227 ( -4.013 4.013 0.000) 5.675 9.855 ( 2.046 -2.046 -0.000) 2.893 11.386 ( 0.587 -0.587 -0.000) 0.831 11.565 ( 6.024 -6.024 -0.000) 8.520 11.911 ( -11.494 11.494 0.000) 16.256 12.101 ( -1.162 1.162 0.000) 1.643 12.650 ( 8.480 -8.480 -0.000) 11.993 13.642 ( -1.096 1.096 0.000) 1.550 13.670 ( -2.740 2.740 0.000) 3.874 22.079 ( -0.917 0.917 0.000) 1.297 22.573 ( -5.120 5.120 0.000) 7.241 22.707 ( 4.087 -4.087 -0.000) 5.779 23.624 ( 4.849 -4.849 -0.000) 6.857 24.055 ( 0.903 -0.903 -0.000) 1.277 24.646 ( 0.225 -0.225 -0.000) 0.319 24.873 ( -3.609 3.609 0.000) 5.104 25.208 ( -1.865 1.865 0.000) 2.638 ======================= Grid point 23 (16/102) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 14.945 14.945 20.883) 29.712 2.358 ( 21.005 21.005 18.521) 35.007 2.880 ( 5.017 5.017 -4.043) 8.166 3.190 ( 10.998 10.998 -11.111) 19.114 3.553 ( 11.318 11.318 6.228) 17.175 3.808 ( -5.218 -5.218 -1.727) 7.579 3.956 ( 0.842 0.842 -1.024) 1.570 4.513 ( 8.240 8.240 47.493) 48.901 5.074 ( 3.088 3.088 6.991) 8.242 5.237 ( -9.729 -9.729 -2.819) 14.045 5.293 ( -1.778 -1.778 4.508) 5.162 5.461 ( -3.636 -3.636 -2.352) 5.654 6.091 ( 2.472 2.472 -5.227) 6.289 6.771 ( -1.601 -1.601 -2.009) 3.027 7.157 ( 0.887 0.887 -8.526) 8.617 7.231 ( -0.300 -0.300 5.420) 5.437 7.569 ( -2.260 -2.260 -12.314) 12.722 8.209 ( -7.049 -7.049 0.080) 9.969 8.277 ( -4.355 -4.355 0.294) 6.166 8.764 ( -4.999 -4.999 -8.306) 10.908 10.205 ( 2.191 2.191 4.135) 5.167 10.453 ( 8.304 8.304 -0.382) 11.750 11.428 ( -2.337 -2.337 -5.107) 6.084 11.790 ( -1.750 -1.750 -2.360) 3.420 11.881 ( 1.928 1.928 -1.494) 3.109 12.273 ( -0.852 -0.852 -9.538) 9.614 14.247 ( -7.360 -7.360 6.969) 12.526 14.720 ( -4.287 -4.287 4.113) 7.326 22.110 ( -1.907 -1.907 0.864) 2.832 22.375 ( -3.093 -3.093 -4.729) 6.442 22.581 ( 7.291 7.291 -0.801) 10.342 22.877 ( 8.187 8.187 1.733) 11.706 23.710 ( 3.353 3.353 -4.381) 6.456 24.704 ( -0.476 -0.476 -1.284) 1.450 24.713 ( -0.024 -0.024 -3.305) 3.305 25.938 ( -11.225 -11.225 4.168) 16.412 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 33.875 1.402 13.189) 36.380 2.770 ( 9.624 -0.480 -2.590) 9.978 3.067 ( 6.187 25.805 16.069) 31.023 3.257 ( -1.259 26.478 -10.857) 28.645 3.712 ( -4.621 -7.105 -1.160) 8.555 3.787 ( 6.881 7.757 5.988) 11.975 3.954 ( 2.304 -1.512 1.785) 3.283 4.909 ( 1.444 -5.508 -15.966) 16.951 5.091 ( 0.928 -4.319 -2.598) 5.125 5.237 ( -5.557 3.922 11.828) 13.644 5.325 ( -1.074 -1.453 2.715) 3.261 5.447 ( -1.007 0.236 12.372) 12.415 6.207 ( 0.361 0.214 15.992) 15.997 6.496 ( -5.254 -5.999 -22.846) 24.198 7.026 ( 6.624 0.540 -2.640) 7.151 7.321 ( -2.448 2.801 2.185) 4.314 7.547 ( 1.537 2.479 3.442) 4.511 8.064 ( -7.235 -7.823 -4.506) 11.569 8.190 ( -2.503 -5.728 -3.442) 7.136 8.590 ( -4.870 -2.738 -6.350) 8.458 10.256 ( 3.601 0.845 0.012) 3.699 10.576 ( 3.561 10.988 -1.194) 11.612 11.312 ( -1.400 -6.670 -0.993) 6.888 11.777 ( -3.499 -1.177 3.094) 4.817 11.909 ( 2.800 2.859 0.751) 4.072 12.168 ( 0.568 -0.892 -2.635) 2.840 14.219 ( -1.908 -5.482 0.669) 5.843 14.669 ( -6.183 -2.734 -3.923) 7.816 22.099 ( -2.690 -1.192 0.296) 2.957 22.278 ( -5.874 -0.465 -4.497) 7.413 22.678 ( 6.397 4.854 2.339) 8.364 23.018 ( 10.971 5.552 4.256) 13.012 23.724 ( 5.815 4.514 -1.013) 7.431 24.641 ( 1.343 -2.915 -1.457) 3.525 24.701 ( -2.216 1.799 -1.740) 3.342 25.823 ( -11.641 -10.127 0.234) 15.432 ======================= Grid point 25 (18/102) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 34.615 -4.380 -13.589) 37.444 2.930 ( 11.298 -0.752 15.874) 19.498 3.391 ( -2.976 12.914 -0.644) 13.268 3.531 ( 3.870 -8.283 -4.291) 10.100 3.748 ( -1.344 28.893 5.131) 29.376 3.903 ( 0.019 -2.116 5.897) 6.265 3.992 ( 7.761 2.471 3.096) 8.714 4.592 ( 0.514 -5.367 -13.088) 14.155 4.851 ( 0.516 -6.259 -15.402) 16.633 5.206 ( -6.632 0.505 -9.782) 11.829 5.282 ( -4.162 -4.638 -8.396) 10.456 5.496 ( -1.789 -4.124 -12.639) 13.415 6.294 ( 3.266 -3.305 14.202) 14.942 6.575 ( -3.187 5.609 20.371) 21.368 7.027 ( 6.155 0.446 0.687) 6.209 7.369 ( -0.077 1.718 0.101) 1.722 7.591 ( -2.229 -3.773 -1.131) 4.526 7.932 ( -9.467 1.554 -4.111) 10.437 8.030 ( 2.773 -4.115 -6.238) 7.971 8.507 ( -6.056 2.150 -3.677) 7.404 10.239 ( 5.268 0.242 -2.941) 6.038 10.710 ( -0.086 11.820 -2.169) 12.018 11.249 ( 1.170 -7.350 6.550) 9.914 11.835 ( -4.359 -2.268 6.765) 8.361 11.971 ( 2.388 1.328 2.526) 3.721 12.168 ( 0.844 0.416 3.806) 3.920 14.109 ( 0.945 -4.297 -6.581) 7.916 14.544 ( -7.713 1.143 -10.246) 12.875 22.084 ( -2.753 -0.796 -0.547) 2.917 22.226 ( -7.778 1.703 -3.228) 8.591 22.784 ( 7.414 2.752 4.604) 9.151 23.155 ( 12.071 0.646 7.738) 14.353 23.787 ( 7.581 3.896 1.280) 8.619 24.596 ( 0.871 -1.451 -0.146) 1.698 24.710 ( -2.158 2.104 -0.503) 3.056 25.676 ( -12.968 -6.667 -4.145) 15.159 ======================= Grid point 26 (19/102) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 36.241 -6.204 -14.076) 39.370 2.990 ( 7.365 -11.733 -6.879) 15.468 3.258 ( 10.125 -8.044 -2.366) 13.146 3.590 ( -2.081 6.333 2.605) 7.157 3.846 ( 1.493 -4.884 2.585) 5.725 4.070 ( 5.572 -0.183 7.471) 9.322 4.149 ( 1.979 -2.906 2.682) 4.422 4.317 ( 2.438 -6.609 -25.315) 26.277 4.602 ( -3.834 6.502 1.789) 7.758 4.753 ( -2.569 -0.358 -31.598) 31.705 5.149 ( -3.435 0.361 -5.009) 6.085 5.394 ( -7.698 1.583 -2.581) 8.272 6.516 ( 4.239 -5.266 18.018) 19.244 6.859 ( -1.219 -0.357 7.366) 7.475 7.060 ( 4.757 1.049 0.330) 4.882 7.403 ( -0.530 5.099 1.354) 5.303 7.427 ( -3.855 -6.578 -7.742) 10.866 7.855 ( -3.997 2.478 -7.050) 8.474 8.028 ( -2.617 6.814 -1.205) 7.398 8.547 ( -6.714 8.033 0.260) 10.472 10.178 ( 7.394 -0.525 -4.389) 8.615 10.806 ( -3.353 5.409 -0.691) 6.401 11.348 ( 3.938 -0.403 12.974) 13.565 11.905 ( -3.191 -4.203 7.240) 8.959 11.987 ( 1.548 -2.986 1.213) 3.575 12.329 ( -1.369 4.336 12.642) 13.435 13.894 ( 1.199 -3.045 -14.505) 14.870 14.390 ( -7.455 4.795 -15.235) 17.626 22.062 ( -2.820 -0.230 -1.137) 3.049 22.222 ( -8.113 3.099 -1.655) 8.841 22.892 ( 10.646 1.331 5.509) 12.061 23.266 ( 10.808 -6.349 11.612) 17.086 23.865 ( 6.143 1.765 3.789) 7.430 24.606 ( 1.758 2.111 0.708) 2.837 24.742 ( -2.155 2.543 0.575) 3.382 25.514 ( -14.154 -1.944 -9.224) 17.006 ======================= Grid point 27 (20/102) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 38.073 -8.178 -11.321) 40.554 2.492 ( 13.421 -17.573 -24.144) 32.739 3.125 ( 10.123 -13.174 -0.425) 16.620 3.490 ( 3.772 -30.753 -28.552) 42.133 3.672 ( -3.493 1.585 -0.555) 3.876 3.808 ( 8.214 -10.230 -0.620) 13.134 3.982 ( 3.899 -15.964 -3.207) 16.743 4.299 ( 2.466 5.883 12.839) 14.336 4.478 ( -1.914 6.327 -9.392) 11.485 4.895 ( -10.458 15.223 3.326) 18.766 5.101 ( -3.168 2.747 -3.790) 5.652 5.420 ( -4.503 5.919 1.201) 7.533 6.685 ( 3.362 -4.814 12.871) 14.147 6.875 ( 1.758 -4.569 2.486) 5.491 6.990 ( 2.875 -2.024 -5.815) 6.795 7.202 ( -1.163 -6.667 -8.913) 11.191 7.538 ( -3.393 11.625 -4.120) 12.792 7.854 ( -4.171 10.201 -4.945) 12.080 8.075 ( -5.605 4.909 -2.811) 7.964 8.718 ( -6.961 11.478 3.149) 13.789 10.095 ( 8.319 -1.573 -4.320) 9.505 10.881 ( -2.936 -0.575 7.969) 8.512 11.581 ( 2.847 5.965 9.693) 11.732 11.889 ( 5.029 -7.953 1.546) 9.536 11.991 ( -6.435 -2.616 4.731) 8.404 12.657 ( -2.546 5.675 20.271) 21.204 13.584 ( 0.386 -1.521 -21.352) 21.410 14.193 ( -6.067 6.009 -20.224) 21.953 22.045 ( -2.611 0.326 -1.112) 2.856 22.257 ( -7.761 4.201 -0.401) 8.835 22.971 ( 14.793 -0.732 3.243) 15.162 23.366 ( 6.952 -11.673 19.006) 23.363 23.955 ( 3.803 0.421 5.783) 6.934 24.653 ( 2.793 3.688 -0.715) 4.681 24.793 ( -2.289 2.929 0.747) 3.792 25.339 ( -14.295 3.146 -14.336) 20.489 ======================= Grid point 28 (21/102) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 28.594 -14.789 -8.377) 33.265 1.891 ( 33.273 -13.169 -20.899) 41.440 2.549 ( 4.964 -44.926 -19.162) 49.093 2.947 ( 10.019 -12.102 -2.764) 15.952 3.577 ( 10.971 -14.290 1.120) 18.050 3.656 ( 9.835 -14.144 -1.258) 17.274 3.742 ( -5.910 2.974 -10.583) 12.480 4.553 ( -1.813 2.991 12.591) 13.068 4.615 ( -0.868 6.853 9.644) 11.863 4.975 ( -10.297 5.956 -9.122) 14.990 5.104 ( -3.682 3.103 -2.410) 5.384 5.661 ( -3.560 10.238 14.523) 18.122 6.782 ( 2.681 -3.348 6.780) 8.023 6.858 ( 3.549 -4.670 4.410) 7.338 6.895 ( 2.046 0.448 -3.989) 4.505 7.000 ( -0.469 -5.010 -5.814) 7.689 7.495 ( -4.260 8.766 -20.575) 22.767 7.948 ( -5.190 11.140 -2.632) 12.568 8.095 ( -6.437 4.473 -2.410) 8.200 8.919 ( -7.387 10.617 2.447) 13.163 10.009 ( 7.091 -2.822 -2.720) 8.102 11.084 ( -1.483 -0.920 20.665) 20.738 11.689 ( -2.797 7.389 -11.796) 14.198 11.838 ( 8.404 -8.861 9.519) 15.485 12.024 ( -6.106 -1.257 2.884) 6.868 13.084 ( -1.310 5.980 20.441) 21.338 13.207 ( -0.116 -3.426 -18.691) 19.003 13.923 ( -4.659 5.261 -24.640) 25.623 22.038 ( -2.075 0.776 -0.729) 2.332 22.322 ( -7.306 5.357 0.248) 9.063 22.958 ( 13.040 -4.967 0.554) 13.965 23.576 ( 6.407 -11.024 28.186) 30.936 24.043 ( 3.566 0.938 4.007) 5.445 24.670 ( 2.081 1.812 -1.787) 3.288 24.800 ( -5.946 3.777 -8.057) 10.702 25.181 ( -9.894 5.782 -12.493) 16.952 ======================= Grid point 29 (22/102) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 20.689 -20.689 -0.000) 29.259 1.584 ( 27.912 -27.912 -0.000) 39.474 1.744 ( 30.665 -30.665 -0.000) 43.366 2.777 ( 9.255 -9.255 -0.000) 13.088 3.386 ( 13.447 -13.447 -0.000) 19.016 3.435 ( 13.646 -13.646 -0.000) 19.298 3.736 ( -6.800 6.800 0.000) 9.617 4.761 ( -2.080 2.080 0.000) 2.942 4.777 ( -1.821 1.821 0.000) 2.575 4.902 ( -6.902 6.902 0.000) 9.760 5.113 ( -1.704 1.704 0.000) 2.410 6.000 ( -10.594 10.594 0.000) 14.982 6.800 ( 2.240 -2.240 -0.000) 3.168 6.870 ( 7.515 -7.515 -0.000) 10.628 6.889 ( -1.902 1.902 0.000) 2.690 6.911 ( -1.017 1.017 0.000) 1.438 7.256 ( -0.491 0.491 0.000) 0.694 8.056 ( -6.960 6.960 0.000) 9.843 8.140 ( -5.350 5.350 0.000) 7.566 9.066 ( -7.679 7.679 0.000) 10.860 9.939 ( 4.150 -4.150 -0.000) 5.869 11.431 ( 2.633 -2.633 -0.000) 3.723 11.568 ( -13.153 13.153 0.000) 18.601 11.781 ( 9.519 -9.519 -0.000) 13.462 12.055 ( -2.210 2.210 0.000) 3.125 12.876 ( 7.692 -7.692 -0.000) 10.878 13.556 ( -5.600 5.600 0.000) 7.920 13.598 ( -2.063 2.063 0.000) 2.918 22.046 ( -1.355 1.355 0.000) 1.916 22.407 ( -6.535 6.535 0.000) 9.242 22.871 ( 7.810 -7.810 -0.000) 11.046 23.780 ( 6.070 -6.070 -0.000) 8.584 24.087 ( 1.362 -1.362 -0.000) 1.926 24.659 ( 0.723 -0.723 -0.000) 1.022 24.724 ( -7.258 7.258 0.000) 10.265 25.139 ( -3.130 3.130 0.000) 4.427 ======================= Grid point 34 (23/102) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 6.705 6.705 -4.155) 10.353 3.071 ( 13.903 13.903 -13.023) 23.583 3.157 ( 15.203 15.203 12.889) 25.068 3.443 ( 10.656 10.656 14.416) 20.854 3.622 ( -1.974 -1.974 -1.719) 3.278 3.921 ( -1.668 -1.668 5.857) 6.314 4.049 ( 4.438 4.438 3.892) 7.385 4.608 ( 3.214 3.214 -23.576) 24.010 4.955 ( -8.608 -8.608 -6.112) 13.622 5.110 ( -3.189 -3.189 -11.136) 12.014 5.287 ( -3.313 -3.313 -2.198) 5.175 5.518 ( -3.325 -3.325 -19.132) 19.702 6.354 ( 1.567 1.567 15.901) 16.055 6.499 ( -0.216 -0.216 19.451) 19.453 7.075 ( 3.421 3.421 -0.625) 4.879 7.345 ( 0.596 0.596 1.384) 1.621 7.624 ( 0.483 0.483 3.468) 3.535 7.835 ( -8.465 -8.465 -9.107) 15.042 8.093 ( -1.288 -1.288 -5.775) 6.056 8.437 ( -2.971 -2.971 -5.734) 7.109 10.285 ( 3.349 3.349 -1.912) 5.107 10.613 ( 6.368 6.368 -3.009) 9.496 11.313 ( -3.091 -3.091 5.743) 7.217 11.817 ( -3.723 -3.723 8.064) 9.630 11.976 ( 2.664 2.664 3.154) 4.913 12.174 ( 0.045 0.045 2.254) 2.255 14.160 ( -1.613 -1.613 -5.350) 5.817 14.468 ( -4.566 -4.566 -11.654) 13.323 22.073 ( -1.808 -1.808 0.258) 2.570 22.156 ( -2.656 -2.656 -3.563) 5.177 22.817 ( 5.727 5.727 4.815) 9.422 23.234 ( 6.300 6.300 8.277) 12.162 23.818 ( 8.424 8.424 -0.285) 11.917 24.638 ( -0.541 -0.541 -0.856) 1.148 24.653 ( -0.625 -0.625 -0.383) 0.963 25.629 ( -12.248 -12.248 -3.608) 17.693 ======================= Grid point 35 (24/102) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 29.454 -7.318 -8.782) 31.595 3.183 ( -6.514 15.977 -4.697) 17.882 3.288 ( 15.278 -8.835 -5.565) 18.505 3.623 ( 5.075 14.874 3.830) 16.176 3.817 ( 4.207 -2.794 1.780) 5.354 4.032 ( -2.738 11.473 11.237) 16.291 4.159 ( 5.493 -0.024 6.327) 8.379 4.338 ( 1.878 4.336 -17.452) 18.081 4.683 ( -2.683 -13.261 -7.423) 15.432 4.759 ( -2.964 -3.702 -30.300) 30.669 5.126 ( -3.014 -5.786 -7.206) 9.721 5.243 ( -11.128 0.750 -6.487) 12.902 6.648 ( 5.792 -3.356 17.458) 18.698 6.799 ( -2.779 4.242 13.590) 14.505 7.099 ( 3.968 2.095 -0.821) 4.562 7.353 ( -1.409 1.099 -2.695) 3.233 7.512 ( 0.247 -10.749 -5.872) 12.251 7.706 ( -11.974 2.654 -4.795) 13.168 8.013 ( 5.793 1.042 -2.970) 6.593 8.361 ( -6.539 3.742 -3.548) 8.328 10.290 ( 8.106 1.343 -1.918) 8.437 10.659 ( -0.382 8.627 -3.973) 9.505 11.416 ( 1.049 -2.436 12.209) 12.494 11.898 ( -5.457 -4.612 8.651) 11.220 12.065 ( 3.996 -0.954 5.142) 6.581 12.254 ( -2.254 2.103 8.392) 8.940 13.986 ( 2.838 -4.702 -12.318) 13.487 14.225 ( -7.923 2.251 -16.482) 18.426 22.048 ( -1.244 -1.864 -0.446) 2.285 22.104 ( -4.876 0.884 -1.524) 5.185 22.982 ( 8.420 4.948 7.040) 12.039 23.433 ( 6.173 -0.310 11.525) 13.078 23.922 ( 10.475 7.455 -0.815) 12.883 24.617 ( 1.442 -0.805 0.655) 1.777 24.670 ( -3.016 2.191 0.356) 3.745 25.390 ( -14.703 -9.664 -7.546) 19.144 ======================= Grid point 36 (25/102) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 28.041 -11.381 -8.757) 31.504 2.911 ( 19.070 -8.830 -19.442) 28.629 3.337 ( -0.129 5.609 -2.070) 5.980 3.590 ( 4.945 -10.619 -5.661) 13.010 3.875 ( 4.270 -6.806 -6.547) 10.365 4.031 ( 1.890 -2.406 -10.097) 10.550 4.202 ( 2.240 -0.597 3.917) 4.551 4.302 ( 7.339 -7.028 0.558) 10.177 4.378 ( -0.113 0.234 -6.031) 6.037 4.560 ( -10.403 9.844 3.396) 14.719 5.008 ( -5.014 1.735 -5.525) 7.660 5.218 ( -11.739 6.248 -2.064) 13.457 6.806 ( 4.798 -4.346 10.678) 12.487 6.943 ( 1.088 -1.724 3.878) 4.381 7.072 ( 2.586 -3.515 -4.009) 5.926 7.248 ( -2.535 -2.539 -7.335) 8.166 7.394 ( -1.038 3.308 -3.345) 4.817 7.666 ( -8.667 5.440 -5.390) 11.566 7.998 ( 2.744 0.545 -1.717) 3.283 8.450 ( -8.776 11.178 0.833) 14.236 10.253 ( 11.108 -1.765 -2.482) 11.518 10.747 ( -4.796 9.616 0.092) 10.746 11.586 ( 2.147 -0.580 10.343) 10.580 11.935 ( -7.949 -4.120 3.697) 9.686 12.098 ( 8.011 -8.168 8.914) 14.503 12.523 ( -4.814 6.441 17.762) 19.497 13.667 ( 3.618 -5.703 -18.310) 19.516 14.013 ( -7.419 6.288 -19.576) 21.859 22.020 ( -1.348 -0.838 -0.576) 1.689 22.118 ( -5.397 2.704 -0.210) 6.040 23.157 ( 13.717 3.198 7.271) 15.851 23.572 ( 4.706 -6.578 13.468) 15.710 24.001 ( 7.001 3.798 1.634) 8.131 24.627 ( -0.851 2.876 -2.237) 3.741 24.721 ( -1.350 2.449 1.481) 3.164 25.146 ( -14.638 -4.709 -10.318) 18.518 ======================= Grid point 37 (26/102) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 17.695 -17.799 -10.987) 27.398 2.537 ( 37.585 -7.052 -11.934) 40.060 3.158 ( 6.011 -26.634 -12.874) 30.187 3.291 ( 11.729 -15.367 -4.378) 19.821 3.509 ( -7.753 -1.491 -5.782) 9.786 3.976 ( 14.149 -10.075 0.866) 17.392 4.057 ( 9.636 -17.213 -0.024) 19.726 4.415 ( -2.114 11.335 2.533) 11.806 4.472 ( -3.898 9.213 7.921) 12.760 4.708 ( -14.838 6.208 -3.334) 16.426 4.994 ( -5.170 4.694 -2.477) 7.410 5.393 ( -10.323 13.974 5.966) 18.370 6.874 ( 3.651 -3.623 5.401) 7.458 6.933 ( 1.617 -3.563 -4.479) 5.947 6.947 ( 2.219 -3.906 2.140) 4.976 7.112 ( 2.705 -4.727 -2.358) 5.935 7.360 ( -2.437 5.117 -11.331) 12.670 7.712 ( -7.956 10.001 -2.716) 13.065 7.980 ( -1.903 1.265 -1.646) 2.816 8.641 ( -9.744 12.398 1.698) 15.860 10.173 ( 9.743 -4.367 -2.030) 10.868 10.940 ( -6.627 11.219 6.453) 14.541 11.638 ( 0.400 -2.268 -2.488) 3.391 11.939 ( -6.751 -0.514 2.442) 7.198 12.133 ( 10.684 -11.810 11.955) 19.914 12.943 ( -5.422 7.702 22.860) 24.725 13.306 ( 3.975 -5.512 -16.903) 18.218 13.771 ( -5.830 6.075 -22.813) 24.317 22.008 ( -1.234 0.116 -0.364) 1.292 22.166 ( -5.633 4.193 0.210) 7.025 23.229 ( 16.278 -4.530 1.976) 17.012 23.750 ( 2.436 -5.469 21.695) 22.506 24.076 ( 4.530 2.580 1.937) 5.562 24.582 ( -9.496 4.740 -12.382) 16.308 24.728 ( 0.233 -1.522 -1.854) 2.410 25.010 ( -7.146 2.746 -3.664) 8.487 ======================= Grid point 38 (27/102) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 18.879 -18.879 -0.000) 26.698 2.308 ( 24.249 -24.249 -0.000) 34.293 2.553 ( 28.300 -28.300 -0.000) 40.022 3.082 ( 12.651 -12.651 -0.000) 17.891 3.523 ( -8.241 8.241 0.000) 11.654 3.801 ( 16.405 -16.405 -0.000) 23.200 3.824 ( 14.077 -14.077 -0.000) 19.908 4.659 ( -5.474 5.474 0.000) 7.741 4.669 ( -6.522 6.522 0.000) 9.223 4.673 ( -9.782 9.782 0.000) 13.834 5.037 ( -3.986 3.986 0.000) 5.637 5.667 ( -13.651 13.651 0.000) 19.306 6.866 ( 0.650 -0.650 -0.000) 0.920 6.873 ( 3.015 -3.015 -0.000) 4.264 6.916 ( 1.654 -1.654 -0.000) 2.339 7.072 ( 6.463 -6.463 -0.000) 9.141 7.233 ( -1.144 1.144 0.000) 1.618 7.831 ( -9.287 9.287 0.000) 13.134 7.999 ( -4.035 4.035 0.000) 5.707 8.815 ( -10.490 10.490 0.000) 14.835 10.082 ( 6.325 -6.325 -0.000) 8.946 11.206 ( -13.128 13.128 0.000) 18.566 11.523 ( 3.996 -3.996 -0.000) 5.652 11.981 ( -3.137 3.137 0.000) 4.436 12.076 ( 11.901 -11.901 -0.000) 16.831 13.066 ( 6.221 -6.221 -0.000) 8.798 13.364 ( -8.467 8.467 0.000) 11.974 13.531 ( -2.834 2.834 0.000) 4.008 22.012 ( -1.023 1.023 0.000) 1.446 22.236 ( -5.701 5.701 0.000) 8.062 23.128 ( 10.791 -10.791 -0.000) 15.261 23.937 ( 5.162 -5.162 -0.000) 7.301 24.123 ( 1.109 -1.109 -0.000) 1.568 24.481 ( -10.389 10.389 0.000) 14.692 24.689 ( 1.580 -1.580 -0.000) 2.235 25.042 ( -3.806 3.806 0.000) 5.382 ======================= Grid point 45 (28/102) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 3.375 3.375 -7.327) 8.744 2.934 ( 0.141 0.141 -12.963) 12.965 3.383 ( 13.492 13.492 -7.715) 20.581 3.686 ( 7.202 7.202 -9.008) 13.598 3.887 ( 0.253 0.253 2.405) 2.432 4.023 ( 1.654 1.654 -7.415) 7.776 4.267 ( -3.600 -3.600 -5.378) 7.405 4.304 ( 2.128 2.128 4.313) 5.259 4.407 ( 2.691 2.691 -1.939) 4.272 4.543 ( -8.189 -8.189 1.143) 11.637 4.991 ( -3.533 -3.533 -5.422) 7.372 5.002 ( -4.379 -4.379 -7.439) 9.679 6.908 ( 1.127 1.127 7.780) 7.942 6.932 ( 0.313 0.313 7.438) 7.451 7.118 ( 1.883 1.883 -1.641) 3.128 7.228 ( -2.788 -2.788 -7.464) 8.442 7.442 ( -1.842 -1.842 -4.342) 5.064 7.491 ( -4.035 -4.035 -6.024) 8.297 8.091 ( 4.325 4.325 1.419) 6.280 8.243 ( -1.167 -1.167 -2.732) 3.191 10.390 ( 6.271 6.271 0.643) 8.892 10.594 ( 2.313 2.313 -4.558) 5.610 11.613 ( -0.029 -0.029 10.932) 10.932 11.904 ( -6.825 -6.825 2.926) 10.086 12.270 ( 2.561 2.561 13.599) 14.073 12.388 ( -1.494 -1.494 14.529) 14.682 13.803 ( -0.087 -0.087 -16.161) 16.161 13.848 ( -1.688 -1.688 -20.706) 20.843 22.037 ( -1.088 -1.088 0.112) 1.542 22.040 ( -1.145 -1.145 -0.598) 1.726 23.233 ( 8.820 8.820 10.042) 16.014 23.655 ( -0.453 -0.453 11.191) 11.209 24.028 ( 8.788 8.788 -2.549) 12.687 24.583 ( -4.486 -4.486 -2.714) 6.900 24.701 ( 2.850 2.850 2.987) 5.017 25.078 ( -10.770 -10.770 -8.568) 17.475 ======================= Grid point 47 (29/102) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 13.711 -15.745 -11.368) 23.772 2.860 ( -2.914 6.083 -11.034) 12.932 3.370 ( 26.025 1.827 -5.743) 26.714 3.598 ( 6.418 -5.861 -3.629) 9.419 3.806 ( 3.142 -25.458 -6.499) 26.462 3.997 ( 3.414 18.571 -1.954) 18.983 4.179 ( -8.747 3.439 3.569) 10.054 4.312 ( -12.100 2.676 -4.127) 13.062 4.487 ( 9.107 -8.329 6.517) 13.957 4.543 ( 2.910 -7.851 6.729) 10.742 4.847 ( -5.190 3.102 -5.959) 8.489 5.027 ( -13.587 13.701 -0.725) 19.309 6.968 ( 3.288 -2.453 3.398) 5.327 7.007 ( 2.003 -1.028 1.677) 2.807 7.046 ( 2.367 -5.431 -2.588) 6.465 7.150 ( -1.884 1.425 -2.513) 3.450 7.299 ( 1.016 -2.012 -6.275) 6.668 7.466 ( -10.013 7.206 -3.439) 12.806 8.062 ( 8.280 -6.269 -0.277) 10.389 8.332 ( -10.152 12.018 0.600) 15.743 10.392 ( 12.227 -5.303 -0.756) 13.349 10.669 ( -7.358 12.708 0.155) 14.686 11.709 ( 1.756 -4.040 3.100) 5.387 11.848 ( -7.922 -1.855 0.698) 8.166 12.442 ( 11.402 -10.360 15.573) 21.905 12.728 ( -8.716 9.306 19.324) 23.152 13.448 ( 5.229 -5.810 -17.224) 18.915 13.606 ( -6.060 5.914 -19.868) 21.597 22.008 ( 0.348 -1.365 -0.048) 1.410 22.059 ( -3.432 2.314 0.147) 4.142 23.489 ( 16.517 2.121 8.499) 18.696 23.787 ( -1.669 0.261 10.933) 11.063 24.093 ( 4.890 4.286 -0.463) 6.519 24.408 ( -13.686 -5.594 -11.029) 18.446 24.774 ( 3.679 -0.007 1.237) 3.882 24.900 ( -5.731 0.071 -2.733) 6.349 ======================= Grid point 48 (30/102) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 16.597 -16.597 -0.000) 23.472 2.791 ( 6.073 -6.073 -0.000) 8.589 3.282 ( 24.745 -24.745 -0.000) 34.995 3.390 ( 2.925 -2.925 -0.000) 4.137 3.436 ( 12.265 -12.265 -0.000) 17.345 4.132 ( 5.284 -5.284 -0.000) 7.473 4.216 ( 7.235 -7.235 -0.000) 10.232 4.379 ( -11.259 11.259 0.000) 15.922 4.452 ( -2.987 2.987 0.000) 4.225 4.511 ( -1.916 1.916 0.000) 2.709 4.889 ( -6.925 6.925 0.000) 9.793 5.259 ( -16.030 16.030 0.000) 22.670 6.934 ( 4.170 -4.170 -0.000) 5.897 6.959 ( 3.142 -3.142 -0.000) 4.443 6.999 ( 3.684 -3.684 -0.000) 5.210 7.166 ( -0.380 0.380 0.000) 0.537 7.207 ( -0.033 0.033 0.000) 0.046 7.562 ( -9.995 9.995 0.000) 14.135 7.984 ( 3.817 -3.817 -0.000) 5.398 8.506 ( -11.788 11.788 0.000) 16.670 10.285 ( 8.506 -8.506 -0.000) 12.029 10.858 ( -12.160 12.160 0.000) 17.197 11.642 ( 4.581 -4.581 -0.000) 6.479 11.884 ( -3.941 3.941 0.000) 5.573 12.420 ( 12.946 -12.946 -0.000) 18.309 13.096 ( -10.955 10.955 0.000) 15.493 13.218 ( 4.979 -4.979 -0.000) 7.041 13.445 ( -3.456 3.456 0.000) 4.887 21.998 ( 0.116 -0.116 -0.000) 0.165 22.103 ( -3.908 3.908 0.000) 5.527 23.452 ( 12.682 -12.682 -0.000) 17.936 24.056 ( 3.414 -3.414 -0.000) 4.829 24.141 ( 0.101 -0.101 -0.000) 0.143 24.165 ( -12.469 12.469 0.000) 17.635 24.747 ( 2.626 -2.626 -0.000) 3.714 24.935 ( -3.949 3.949 0.000) 5.585 ======================= Grid point 58 (31/102) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 12.709 -12.709 -0.000) 17.974 2.629 ( -12.709 12.709 0.000) 17.974 3.609 ( 4.104 -4.104 -0.000) 5.804 3.609 ( -4.104 4.104 0.000) 5.804 3.893 ( 19.463 -19.463 -0.000) 27.525 3.893 ( -19.463 19.463 0.000) 27.525 4.131 ( 3.485 -3.485 -0.000) 4.929 4.131 ( -3.485 3.485 0.000) 4.929 4.664 ( 9.019 -9.019 -0.000) 12.755 4.664 ( -9.019 9.019 0.000) 12.755 4.801 ( 17.094 -17.094 -0.000) 24.174 4.801 ( -17.094 17.094 0.000) 24.174 7.031 ( 1.611 -1.611 -0.000) 2.279 7.031 ( -1.611 1.611 0.000) 2.279 7.072 ( 5.265 -5.265 -0.000) 7.446 7.072 ( -5.265 5.265 0.000) 7.446 7.310 ( 7.649 -7.649 -0.000) 10.817 7.310 ( -7.649 7.649 0.000) 10.817 8.193 ( 10.438 -10.438 -0.000) 14.762 8.193 ( -10.438 10.438 0.000) 14.762 10.546 ( 10.530 -10.530 -0.000) 14.891 10.546 ( -10.530 10.530 0.000) 14.891 11.768 ( 4.495 -4.495 -0.000) 6.357 11.768 ( -4.495 4.495 0.000) 6.357 12.772 ( 12.577 -12.577 -0.000) 17.787 12.772 ( -12.577 12.577 0.000) 17.787 13.342 ( 4.098 -4.098 -0.000) 5.796 13.342 ( -4.098 4.098 0.000) 5.796 22.024 ( 1.879 -1.879 -0.000) 2.657 22.024 ( -1.879 1.879 0.000) 2.657 23.810 ( 13.261 -13.261 -0.000) 18.754 23.810 ( -13.261 13.261 0.000) 18.754 24.123 ( 1.510 -1.510 -0.000) 2.135 24.123 ( -1.510 1.510 0.000) 2.135 24.832 ( 3.518 -3.518 -0.000) 4.976 24.832 ( -3.518 3.518 0.000) 4.976 ======================= Grid point 116 (32/102) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 18.712 18.712 17.118) 31.516 1.830 ( 25.336 25.336 14.188) 38.537 2.686 ( 13.256 13.256 40.649) 44.763 2.900 ( 10.396 10.396 15.578) 21.420 3.370 ( 12.069 12.069 -1.390) 17.124 3.485 ( 13.756 13.756 3.598) 19.784 3.970 ( -7.602 -7.602 0.881) 10.787 4.389 ( 1.332 1.332 -19.577) 19.668 4.488 ( 1.194 1.194 7.602) 7.788 5.149 ( -2.349 -2.349 4.649) 5.714 5.236 ( -7.778 -7.778 5.077) 12.114 5.555 ( -1.531 -1.531 -6.342) 6.702 6.567 ( 3.383 3.383 -14.746) 15.503 6.756 ( 3.763 3.763 -0.055) 5.322 7.019 ( -1.151 -1.151 7.166) 7.349 7.056 ( 1.292 1.292 7.264) 7.490 7.884 ( -12.297 -12.297 5.455) 18.226 8.124 ( -6.960 -6.960 3.762) 10.537 8.227 ( -6.539 -6.539 3.345) 9.834 8.982 ( -7.135 -7.135 -5.265) 11.382 10.029 ( 3.638 3.638 5.423) 7.475 10.662 ( 10.543 10.543 -17.216) 22.775 11.624 ( 4.590 4.590 -5.619) 8.585 11.911 ( -4.752 -4.752 1.061) 6.804 11.953 ( -2.014 -2.014 -5.872) 6.526 12.773 ( -2.627 -2.627 -22.448) 22.753 13.704 ( -10.590 -10.590 29.489) 33.074 14.338 ( -4.478 -4.478 19.825) 20.812 22.071 ( -1.677 -1.677 1.365) 2.737 22.399 ( -6.281 -6.281 0.028) 8.882 22.864 ( 8.005 8.005 -0.319) 11.325 22.964 ( 14.727 14.727 -23.595) 31.472 23.924 ( 2.162 2.162 -8.173) 8.726 24.704 ( 0.282 0.282 1.447) 1.501 24.845 ( -0.636 -0.636 -3.818) 3.923 25.613 ( -14.608 -14.608 17.886) 27.326 ======================= Grid point 117 (33/102) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 31.704 6.076 17.510) 36.724 2.478 ( 10.076 28.414 16.550) 34.392 2.981 ( 9.210 8.275 0.468) 12.390 3.515 ( 8.136 15.028 -4.023) 17.557 3.622 ( 8.957 16.285 15.054) 23.918 3.791 ( -2.083 -2.966 0.737) 3.698 3.893 ( 5.561 12.838 20.786) 25.056 4.165 ( 2.812 1.410 -4.705) 5.660 4.771 ( -2.574 -1.162 23.270) 23.441 5.111 ( -5.356 -14.907 0.247) 15.842 5.197 ( -2.171 -2.302 4.234) 5.286 5.453 ( -5.765 -3.055 -1.933) 6.805 6.366 ( 3.939 5.066 -18.178) 19.277 6.797 ( 0.867 2.627 -0.959) 2.927 7.091 ( 4.552 -2.702 5.636) 7.732 7.236 ( -2.089 6.827 6.640) 9.750 7.666 ( -6.483 -11.436 -9.367) 16.142 8.062 ( -5.631 -9.870 3.321) 11.839 8.192 ( -5.452 -5.146 2.443) 7.885 8.783 ( -6.528 -8.257 -5.869) 12.051 10.152 ( 5.696 1.618 5.531) 8.103 10.644 ( 2.954 11.702 -6.292) 13.611 11.502 ( 2.124 -4.324 -9.858) 10.972 11.832 ( -1.594 -0.785 -3.893) 4.280 11.917 ( -0.835 1.639 -0.442) 1.892 12.439 ( -1.618 -3.078 -15.314) 15.704 13.940 ( -4.378 -7.069 17.840) 19.683 14.526 ( -6.091 -4.857 12.901) 15.071 22.073 ( -2.893 -1.036 1.229) 3.310 22.328 ( -7.943 -4.846 0.597) 9.323 22.838 ( 11.926 7.802 -11.774) 18.485 22.981 ( 9.579 10.251 -2.931) 14.333 23.843 ( 4.703 2.901 -6.282) 8.367 24.695 ( 2.187 -2.684 -0.943) 3.588 24.780 ( -1.472 0.257 -3.367) 3.683 25.651 ( -14.280 -11.652 11.199) 21.566 ======================= Grid point 118 (34/102) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 31.626 4.177 17.319) 36.299 2.873 ( 11.611 4.274 -4.900) 13.307 3.161 ( 8.940 17.345 8.316) 21.212 3.631 ( -1.718 -3.018 -0.958) 3.603 3.700 ( -1.120 11.944 -2.497) 12.254 3.929 ( 4.226 18.936 -2.096) 19.515 3.963 ( 4.548 0.068 -4.665) 6.516 4.671 ( 2.505 -10.008 16.013) 19.049 4.871 ( -1.279 -5.403 20.857) 21.583 5.145 ( -1.913 2.389 13.823) 14.157 5.247 ( -1.628 -1.902 7.309) 7.726 5.414 ( -7.053 0.842 -0.845) 7.153 6.179 ( 3.275 4.152 -11.551) 12.704 6.719 ( -3.531 -3.219 -13.805) 14.609 7.065 ( 7.962 -2.797 -3.312) 9.066 7.363 ( -3.717 3.503 -1.388) 5.293 7.503 ( -1.357 -0.001 4.537) 4.735 7.986 ( -5.775 -5.930 1.950) 8.504 8.132 ( -2.867 -6.618 -0.225) 7.216 8.611 ( -6.392 -5.250 -3.313) 8.910 10.236 ( 5.496 0.425 3.387) 6.470 10.743 ( -1.665 9.954 -1.337) 10.180 11.268 ( 3.448 -8.432 -6.930) 11.446 11.780 ( -4.833 1.299 -3.389) 6.043 11.946 ( 3.073 2.498 -0.064) 3.961 12.222 ( 0.062 -2.715 -7.501) 7.977 14.077 ( -0.641 -3.001 8.846) 9.363 14.612 ( -7.744 -3.418 6.027) 10.391 22.079 ( -3.536 -0.453 0.780) 3.649 22.284 ( -9.600 -2.688 0.454) 9.980 22.784 ( 9.501 4.218 -5.922) 11.964 23.056 ( 11.418 5.680 -1.758) 12.874 23.814 ( 9.045 2.746 -2.738) 9.841 24.625 ( 1.730 -3.102 -1.643) 3.913 24.747 ( -1.676 0.110 -1.621) 2.335 25.655 ( -14.905 -6.227 5.461) 17.052 ======================= Grid point 119 (35/102) ======================= q-point: (-0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 37.944 0.000 -0.000) 37.944 2.751 ( 8.547 0.000 0.000) 8.547 3.461 ( 5.283 0.000 0.000) 5.283 3.488 ( -4.988 -0.000 -0.000) 4.988 3.841 ( 0.257 0.000 0.000) 0.257 3.903 ( 6.554 0.000 -0.000) 6.554 4.117 ( 0.345 0.000 0.000) 0.345 4.472 ( -0.579 0.000 0.000) 0.579 5.145 ( -0.301 0.000 0.000) 0.301 5.292 ( 1.557 0.000 -0.000) 1.557 5.322 ( -8.161 0.000 -0.000) 8.161 5.446 ( 1.320 0.000 0.000) 1.320 6.234 ( 0.692 0.000 0.000) 0.692 6.376 ( -4.389 0.000 0.000) 4.389 7.026 ( 7.901 0.000 0.000) 7.901 7.385 ( 0.356 0.000 -0.000) 0.356 7.571 ( -4.461 0.000 0.000) 4.461 7.977 ( -10.106 0.000 0.000) 10.106 8.050 ( 3.401 0.000 0.000) 3.401 8.551 ( -6.584 0.000 0.000) 6.584 10.266 ( 4.922 0.000 0.000) 4.922 10.821 ( -4.535 -0.000 0.000) 4.535 11.133 ( 5.636 0.000 0.000) 5.636 11.763 ( -5.361 0.000 0.000) 5.361 11.967 ( 3.231 0.000 0.000) 3.231 12.142 ( 1.445 0.000 0.000) 1.445 14.126 ( 0.684 0.000 0.000) 0.684 14.633 ( -8.548 0.000 0.000) 8.548 22.082 ( -3.641 0.000 0.000) 3.641 22.269 ( -10.402 0.000 0.000) 10.402 22.768 ( 8.873 0.000 0.000) 8.873 23.081 ( 11.585 0.000 0.000) 11.585 23.816 ( 11.793 0.000 0.000) 11.793 24.588 ( 0.805 0.000 0.000) 0.805 24.734 ( -1.670 0.000 0.000) 1.670 25.654 ( -15.250 0.000 0.000) 15.250 ======================= Grid point 125 (36/102) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 12.350 -0.000 -0.000) 12.350 0.854 ( 30.599 -0.000 -0.000) 30.599 1.626 ( 56.836 -0.000 -0.000) 56.836 2.641 ( 7.840 -0.000 -0.000) 7.840 3.190 ( 13.820 -0.000 -0.000) 13.820 3.234 ( 16.873 -0.000 -0.000) 16.873 3.852 ( -5.489 0.000 0.000) 5.489 4.767 ( -3.654 0.000 0.000) 3.654 4.801 ( 0.697 -0.000 -0.000) 0.697 5.048 ( -3.075 0.000 0.000) 3.075 5.146 ( -0.279 0.000 0.000) 0.279 6.146 ( -14.369 0.000 0.000) 14.369 6.664 ( 6.064 -0.000 -0.000) 6.064 6.801 ( 3.107 -0.000 -0.000) 3.107 6.878 ( -5.013 0.000 0.000) 5.013 6.987 ( 1.071 -0.000 -0.000) 1.071 7.259 ( -0.429 0.000 0.000) 0.429 8.156 ( -10.432 0.000 0.000) 10.432 8.221 ( -2.407 0.000 0.000) 2.407 9.174 ( -7.795 0.000 0.000) 7.795 9.841 ( 1.013 -0.000 -0.000) 1.013 11.439 ( 5.169 -0.000 -0.000) 5.169 11.642 ( 10.278 -0.000 -0.000) 10.278 11.736 ( -20.199 0.000 0.000) 20.199 12.137 ( 1.452 -0.000 -0.000) 1.452 12.731 ( 10.537 -0.000 -0.000) 10.537 13.635 ( -5.118 0.000 0.000) 5.118 13.636 ( -1.598 0.000 0.000) 1.598 22.085 ( -0.537 0.000 0.000) 0.537 22.585 ( -4.405 0.000 0.000) 4.405 22.665 ( 1.027 -0.000 -0.000) 1.027 23.705 ( 10.634 -0.000 -0.000) 10.634 23.976 ( -5.315 0.000 0.000) 5.315 24.648 ( 0.268 -0.000 -0.000) 0.268 24.849 ( -3.892 0.000 0.000) 3.892 25.225 ( -1.355 0.000 0.000) 1.355 ======================= Grid point 128 (37/102) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 12.168 12.168 15.963) 23.472 2.933 ( 19.878 19.878 15.413) 32.060 3.116 ( 12.198 12.198 -1.810) 17.345 3.515 ( 11.524 11.524 -13.986) 21.476 3.650 ( -5.242 -5.242 -0.366) 7.422 3.844 ( 8.320 8.320 0.809) 11.794 3.999 ( 3.145 3.145 -3.133) 5.440 4.754 ( 9.107 9.107 42.284) 44.202 4.895 ( -13.642 -13.642 3.117) 19.543 5.144 ( -0.164 -0.164 5.424) 5.429 5.259 ( -0.392 -0.392 8.472) 8.490 5.328 ( -6.095 -6.095 -1.090) 8.688 6.173 ( 3.681 3.681 -11.161) 12.315 6.715 ( -2.447 -2.447 -11.999) 12.488 7.208 ( 2.271 2.271 -8.721) 9.294 7.235 ( 0.759 0.759 5.823) 5.921 7.507 ( -1.849 -1.849 1.693) 3.115 7.985 ( -9.142 -9.142 -0.155) 12.930 8.162 ( -3.481 -3.481 1.326) 5.098 8.601 ( -6.717 -6.717 -5.114) 10.789 10.284 ( 3.608 3.608 2.688) 5.768 10.646 ( 4.801 4.801 -1.147) 6.886 11.365 ( -1.582 -1.582 -8.043) 8.348 11.726 ( -2.918 -2.918 -2.570) 4.861 11.951 ( 3.109 3.109 0.334) 4.409 12.243 ( -1.371 -1.371 -7.453) 7.701 14.100 ( -2.955 -2.955 9.649) 10.515 14.576 ( -6.193 -6.193 4.827) 10.001 22.055 ( -1.912 -1.912 0.850) 2.835 22.234 ( -5.537 -5.537 -0.623) 7.855 22.824 ( 8.783 8.783 -7.127) 14.320 23.092 ( 6.454 6.454 0.913) 9.173 23.866 ( 8.767 8.767 -2.629) 12.674 24.693 ( -0.224 -0.224 -2.046) 2.070 24.706 ( -0.494 -0.494 -3.129) 3.207 25.586 ( -14.295 -14.295 6.425) 21.213 ======================= Grid point 129 (38/102) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 8.618 2.968 7.571) 11.849 3.117 ( 38.263 -0.616 -1.859) 38.313 3.350 ( 0.846 7.031 3.187) 7.766 3.572 ( -0.086 -0.547 1.209) 1.330 3.690 ( 1.103 27.804 0.159) 27.826 3.870 ( -1.125 1.289 -2.460) 2.996 4.072 ( 7.879 4.741 1.104) 9.262 4.653 ( -6.415 -19.496 -1.561) 20.584 5.121 ( -0.701 1.043 -7.098) 7.208 5.179 ( -8.059 0.830 -1.057) 8.171 5.318 ( 2.430 1.395 -5.634) 6.292 5.478 ( 2.812 0.914 20.245) 20.459 6.216 ( -0.498 1.193 12.723) 12.788 6.360 ( -4.015 -4.481 -17.435) 18.444 7.136 ( 7.994 1.123 -2.042) 8.327 7.346 ( -0.818 4.463 2.208) 5.046 7.552 ( -0.987 -2.787 3.376) 4.488 7.844 ( -11.830 -4.854 -3.402) 13.232 8.120 ( 1.631 -2.532 -1.377) 3.312 8.469 ( -6.966 -2.756 -2.969) 8.058 10.335 ( 5.654 1.568 -0.164) 5.870 10.711 ( -2.081 4.758 0.077) 5.193 11.246 ( 3.700 -2.745 -1.875) 4.974 11.691 ( -5.873 -1.988 2.050) 6.531 11.996 ( 3.813 2.785 0.226) 4.727 12.163 ( 0.273 -0.850 -1.222) 1.513 14.157 ( 0.713 -1.821 1.665) 2.569 14.525 ( -8.592 -3.081 -2.238) 9.397 22.046 ( -2.298 -0.966 0.434) 2.530 22.164 ( -6.415 -2.142 -1.382) 6.903 22.858 ( 8.587 4.866 -0.665) 9.892 23.175 ( 3.949 1.158 3.295) 5.272 23.975 ( 17.201 9.059 -0.880) 19.460 24.623 ( 1.740 -2.721 -1.519) 3.569 24.693 ( -2.589 1.891 -1.634) 3.599 25.479 ( -18.162 -9.949 1.648) 20.774 ======================= Grid point 130 (39/102) ======================= q-point: (-0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 20.227 -6.191 -10.332) 23.542 3.177 ( 27.043 -1.227 4.988) 27.527 3.368 ( -5.161 -1.089 -4.148) 6.710 3.577 ( 7.504 -2.375 2.983) 8.417 3.835 ( 0.212 -2.144 0.494) 2.210 4.045 ( 5.577 0.456 5.865) 8.106 4.133 ( 0.808 3.755 1.595) 4.159 4.446 ( -4.666 0.137 -0.201) 4.672 4.908 ( 5.312 3.927 -28.800) 29.548 5.127 ( -5.960 0.147 -12.404) 13.762 5.171 ( -3.796 -1.964 -6.225) 7.551 5.373 ( -5.966 -5.365 -14.755) 16.795 6.297 ( 4.923 -4.724 16.742) 18.079 6.607 ( -3.890 5.849 20.242) 21.426 7.141 ( 7.732 2.002 -0.255) 7.991 7.393 ( 1.094 -1.726 0.025) 2.044 7.473 ( -3.988 -3.338 -4.960) 7.187 7.801 ( -12.491 3.007 -1.970) 12.998 8.078 ( 3.758 1.694 -2.505) 4.824 8.445 ( -8.148 3.612 -0.438) 8.924 10.331 ( 7.518 0.061 -1.833) 7.739 10.748 ( -5.858 0.228 0.015) 5.862 11.275 ( 7.179 2.316 6.462) 9.933 11.723 ( -6.840 -2.502 5.645) 9.215 12.020 ( 3.866 -0.856 0.294) 3.970 12.187 ( -0.569 1.808 4.316) 4.714 14.087 ( 2.224 -2.223 -7.358) 8.002 14.446 ( -9.568 2.696 -7.444) 12.419 22.037 ( -2.247 -0.510 -0.364) 2.333 22.141 ( -6.742 1.436 -0.962) 6.960 22.936 ( 9.440 1.465 5.140) 10.848 23.228 ( 3.204 -4.370 6.228) 8.255 24.032 ( 19.384 1.074 -1.433) 19.467 24.614 ( 1.866 2.083 1.418) 3.136 24.707 ( -2.473 2.157 -0.161) 3.285 25.375 ( -20.405 -2.489 -3.797) 20.904 ======================= Grid point 131 (40/102) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 23.212 -9.852 -12.862) 28.307 2.981 ( 18.639 -15.809 -12.043) 27.247 3.284 ( 12.333 -11.413 -0.319) 16.807 3.588 ( -7.003 4.586 1.015) 8.433 3.843 ( 10.925 -7.198 4.463) 13.823 3.987 ( 4.847 -19.274 -4.068) 20.286 4.133 ( 4.789 -1.935 8.532) 9.974 4.275 ( 7.842 -9.549 -31.039) 33.408 4.606 ( -11.664 9.818 -10.075) 18.274 4.873 ( -0.156 12.362 -15.132) 19.540 5.120 ( -3.924 2.974 -4.923) 6.963 5.288 ( -11.175 3.573 0.752) 11.756 6.506 ( 5.557 -5.917 17.981) 19.729 6.842 ( 0.812 -1.484 6.015) 6.248 7.130 ( 3.859 0.021 -5.942) 7.085 7.309 ( -0.803 -5.028 -5.061) 7.179 7.459 ( -4.118 6.786 3.586) 8.710 7.834 ( -9.248 8.233 -3.652) 12.909 8.072 ( -1.505 3.297 -3.493) 5.033 8.558 ( -8.679 9.005 3.099) 12.885 10.274 ( 7.958 -2.470 -3.615) 9.083 10.747 ( -3.117 -2.794 3.786) 5.644 11.476 ( 5.147 5.269 10.905) 13.160 11.788 ( -6.161 -1.927 6.688) 9.296 11.975 ( 3.624 -4.008 -1.552) 5.621 12.360 ( -2.838 4.118 12.638) 13.592 13.881 ( 0.948 -1.202 -15.660) 15.735 14.353 ( -7.893 6.021 -13.057) 16.403 22.027 ( -2.059 0.417 -0.754) 2.232 22.168 ( -6.205 3.900 -0.445) 7.343 23.059 ( 11.994 -0.651 10.000) 15.629 23.232 ( 3.871 -11.127 7.672) 14.059 23.996 ( 11.290 -4.064 1.495) 12.092 24.693 ( 3.722 3.556 1.868) 5.476 24.744 ( -2.445 2.106 1.137) 3.421 25.295 ( -18.796 6.269 -9.941) 22.168 ======================= Grid point 132 (41/102) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 17.607 -17.607 -14.928) 29.033 2.513 ( 23.776 -23.776 -11.402) 35.505 3.056 ( 13.910 -13.910 -10.285) 22.198 3.286 ( 16.676 -16.676 -30.897) 38.869 3.653 ( -0.574 0.574 -0.504) 0.955 3.822 ( 5.680 -5.680 0.111) 8.034 3.869 ( 13.652 -13.652 -3.629) 19.645 4.380 ( -2.134 2.134 15.391) 15.684 4.473 ( -2.582 2.582 -7.158) 8.035 4.942 ( -11.520 11.520 -5.795) 17.292 5.097 ( -3.519 3.519 -3.579) 6.129 5.428 ( -7.546 7.546 6.239) 12.361 6.676 ( 4.530 -4.530 13.061) 14.548 6.854 ( 3.426 -3.426 2.457) 5.432 7.008 ( 0.611 -0.611 -7.688) 7.737 7.136 ( 3.943 -3.943 -7.759) 9.555 7.599 ( -8.561 8.561 -4.280) 12.841 7.901 ( -9.121 9.121 -3.854) 13.463 8.065 ( -4.729 4.729 -3.806) 7.695 8.749 ( -9.665 9.665 3.956) 14.229 10.155 ( 5.574 -5.574 -4.279) 8.970 10.831 ( 1.651 -1.651 11.930) 12.156 11.690 ( -2.192 2.192 7.910) 8.495 11.875 ( 5.639 -5.639 -1.918) 8.202 11.886 ( -2.804 2.804 5.550) 6.821 12.679 ( -4.302 4.302 20.672) 21.549 13.578 ( 0.082 -0.082 -22.437) 22.437 14.189 ( -6.250 6.250 -19.357) 21.279 22.027 ( -1.401 1.401 -0.848) 2.155 22.230 ( -5.702 5.702 0.008) 8.064 23.111 ( 9.606 -9.606 1.059) 13.627 23.282 ( 8.757 -8.757 22.093) 25.327 24.001 ( 3.575 -3.575 5.745) 7.653 24.720 ( 0.900 -0.900 -0.665) 1.436 24.797 ( -3.168 3.168 -0.037) 4.480 25.237 ( -12.607 12.607 -14.575) 23.028 ======================= Grid point 134 (42/102) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 6.742 -51.090 -0.000) 51.533 1.328 ( 27.594 -8.851 -0.000) 28.978 2.379 ( 51.204 -1.243 -0.000) 51.219 2.816 ( 11.927 -5.807 -0.000) 13.266 3.451 ( 16.694 -6.810 -0.000) 18.030 3.538 ( 19.991 -6.196 -0.000) 20.929 3.729 ( -6.946 5.032 0.000) 8.577 4.668 ( -11.498 0.174 0.000) 11.499 4.808 ( 0.941 1.048 0.000) 1.408 4.945 ( -3.972 8.172 0.000) 9.086 5.115 ( -1.838 2.017 0.000) 2.729 5.898 ( -17.976 3.070 0.000) 18.236 6.795 ( 5.074 -3.239 -0.000) 6.019 6.834 ( -1.594 -0.992 0.000) 1.878 6.872 ( 5.155 -5.082 -0.000) 7.238 6.982 ( 1.888 3.268 0.000) 3.774 7.248 ( -1.170 0.029 0.000) 1.170 7.976 ( -12.466 2.369 0.000) 12.689 8.152 ( -3.737 4.087 0.000) 5.538 9.017 ( -11.053 3.900 0.000) 11.720 9.897 ( 1.480 -5.367 -0.000) 5.568 11.424 ( -21.233 3.278 0.000) 21.484 11.518 ( 8.507 1.871 -0.000) 8.710 11.831 ( 12.204 -4.969 -0.000) 13.177 12.123 ( 1.952 5.062 0.000) 5.426 12.896 ( 7.791 -4.690 -0.000) 9.094 13.529 ( -7.173 3.207 0.000) 7.857 13.596 ( -2.408 1.655 0.000) 2.922 22.061 ( -0.616 1.932 0.000) 2.028 22.433 ( -5.112 8.303 0.000) 9.750 22.789 ( 1.969 -11.740 -0.000) 11.904 23.878 ( 13.193 -0.466 -0.000) 13.201 23.932 ( -9.447 -7.209 0.000) 11.883 24.656 ( 0.449 -0.680 -0.000) 0.815 24.766 ( -2.505 5.599 0.000) 6.134 25.161 ( -2.765 4.375 0.000) 5.176 ======================= Grid point 135 (43/102) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 9.426 -0.000 17.645) 20.005 1.556 ( 24.056 -0.000 31.137) 39.348 2.498 ( 48.599 -0.000 17.621) 51.695 2.793 ( 10.705 -0.000 2.052) 10.900 3.409 ( 16.744 -0.000 0.636) 16.756 3.496 ( 19.753 0.000 0.244) 19.754 3.872 ( -6.789 -0.000 13.012) 14.677 4.549 ( -0.568 0.000 -22.276) 22.284 4.630 ( -8.210 0.000 -5.223) 9.730 5.103 ( -1.658 -0.000 3.603) 3.966 5.262 ( -1.512 -0.000 13.928) 14.009 5.614 ( -9.973 0.000 -26.204) 28.038 6.759 ( 3.678 0.000 -8.555) 9.312 6.763 ( 7.466 0.000 0.021) 7.466 6.861 ( -1.652 -0.000 3.792) 4.137 7.049 ( 2.765 -0.000 5.342) 6.015 7.561 ( -14.425 -0.000 25.619) 29.401 8.022 ( -13.581 -0.000 3.748) 14.089 8.197 ( -3.605 -0.000 2.050) 4.147 9.024 ( -10.812 0.000 -2.583) 11.116 9.882 ( 1.262 -0.000 3.115) 3.361 11.103 ( 6.900 0.000 -25.177) 26.105 11.695 ( 8.421 -0.000 0.783) 8.458 11.751 ( -10.133 -0.000 0.725) 10.158 12.132 ( 1.997 0.000 -3.720) 4.222 13.077 ( -5.964 0.000 -2.839) 6.605 13.247 ( -0.881 -0.000 8.351) 8.397 13.997 ( -5.046 -0.000 25.774) 26.263 22.085 ( -0.750 -0.000 1.165) 1.386 22.515 ( -5.265 -0.000 -0.031) 5.266 22.676 ( 1.536 0.000 -0.899) 1.780 23.443 ( 14.676 0.000 -31.755) 34.982 23.987 ( 0.007 0.000 -1.970) 1.970 24.638 ( -1.777 -0.000 0.532) 1.854 24.865 ( -2.825 -0.000 1.735) 3.315 25.371 ( -8.130 -0.000 19.687) 21.300 ======================= Grid point 139 (44/102) ======================= q-point: (-0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 4.430 4.430 0.492) 6.284 3.233 ( -1.556 -1.556 -7.034) 7.370 3.593 ( 4.608 4.608 -4.800) 8.094 3.628 ( 17.527 17.527 4.545) 25.200 3.837 ( -3.694 -3.694 1.453) 5.423 3.849 ( 12.776 12.776 10.662) 20.979 4.170 ( 2.831 2.831 1.609) 4.315 4.493 ( -11.596 -11.596 -2.113) 16.536 4.901 ( 4.818 4.818 -23.581) 24.546 5.045 ( -1.423 -1.423 -6.232) 6.549 5.189 ( -3.510 -3.510 -6.995) 8.578 5.369 ( -7.185 -7.185 -27.016) 28.864 6.410 ( 2.265 2.265 20.607) 20.855 6.490 ( -0.544 -0.544 20.269) 20.283 7.195 ( 5.364 5.364 -2.793) 8.084 7.376 ( 1.663 1.663 -0.221) 2.363 7.574 ( -3.513 -3.513 1.180) 5.107 7.604 ( -8.120 -8.120 -6.260) 13.079 8.121 ( 2.981 2.981 -2.385) 4.843 8.341 ( -3.986 -3.986 -3.109) 6.438 10.400 ( 5.037 5.037 -0.784) 7.166 10.679 ( -2.078 -2.078 -0.547) 2.989 11.324 ( 4.418 4.418 4.900) 7.941 11.686 ( -5.877 -5.877 7.259) 11.035 12.058 ( 3.022 3.022 1.731) 4.611 12.167 ( -0.715 -0.715 1.761) 2.031 14.147 ( 0.835 0.835 -5.103) 5.237 14.332 ( -5.070 -5.070 -9.337) 11.773 22.031 ( -1.025 -1.025 0.308) 1.482 22.077 ( -2.648 -2.648 -1.494) 4.032 22.992 ( 6.643 6.643 4.412) 10.379 23.276 ( -2.267 -2.267 8.499) 9.084 24.198 ( 17.653 17.653 -3.809) 25.253 24.633 ( -0.818 -0.818 -1.355) 1.782 24.633 ( 0.375 0.375 0.451) 0.695 25.237 ( -16.281 -16.281 -1.358) 23.064 ======================= Grid point 141 (45/102) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 15.220 -10.767 -7.622) 20.141 3.201 ( -7.896 6.762 -6.355) 12.185 3.499 ( 20.153 -2.734 -3.154) 20.581 3.711 ( 4.814 -14.985 -1.475) 15.808 3.920 ( 6.311 12.222 5.150) 14.688 4.186 ( -3.620 12.215 2.332) 12.952 4.202 ( 4.381 -4.474 5.596) 8.398 4.340 ( -6.032 -9.475 1.439) 11.324 4.522 ( 7.832 -3.219 -29.565) 30.753 4.746 ( -2.290 3.229 -28.375) 28.650 5.025 ( -4.509 0.558 -4.516) 6.406 5.086 ( -11.196 0.831 -3.582) 11.785 6.672 ( 6.565 -5.635 16.909) 18.994 6.817 ( -3.011 3.919 13.103) 14.004 7.189 ( 5.007 1.075 -4.822) 7.034 7.320 ( -3.724 -1.262 -7.225) 8.226 7.420 ( 2.217 -4.119 -0.520) 4.706 7.597 ( -10.702 5.516 -3.176) 12.451 8.100 ( 6.265 -1.930 -2.500) 7.016 8.320 ( -9.039 6.597 -0.404) 11.197 10.427 ( 9.684 -0.781 -1.112) 9.779 10.663 ( -7.119 1.942 0.248) 7.384 11.503 ( 7.380 4.801 8.908) 12.525 11.730 ( -8.374 -5.153 7.570) 12.409 12.101 ( 5.728 -3.994 3.563) 7.840 12.250 ( -4.467 4.187 8.505) 10.480 13.973 ( 4.876 -5.146 -13.312) 15.082 14.159 ( -8.349 5.276 -13.414) 16.657 22.014 ( -0.265 -1.164 -0.297) 1.231 22.060 ( -3.718 1.807 -0.350) 4.149 23.178 ( 9.471 5.022 9.329) 14.211 23.366 ( -3.273 -7.949 11.584) 14.426 24.249 ( 19.354 0.815 -5.989) 20.276 24.631 ( -5.765 5.982 -3.586) 9.049 24.699 ( 4.436 4.135 3.279) 6.894 25.024 ( -19.053 -7.661 -3.927) 20.907 ======================= Grid point 142 (46/102) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 15.544 -15.544 -13.156) 25.619 3.044 ( 10.436 -10.436 -11.362) 18.625 3.447 ( 13.944 -13.944 -2.003) 19.821 3.488 ( -2.085 2.085 -2.669) 3.977 3.751 ( 16.641 -16.641 -27.437) 36.147 4.136 ( 0.814 -0.814 -1.073) 1.574 4.147 ( 10.427 -10.427 2.524) 14.960 4.333 ( 3.433 -3.433 8.900) 10.138 4.342 ( -5.858 5.858 -2.071) 8.540 4.598 ( -12.899 12.899 -9.555) 20.593 4.984 ( -4.477 4.477 -5.034) 8.089 5.169 ( -10.639 10.639 2.621) 15.273 6.810 ( 5.106 -5.106 10.796) 12.989 6.941 ( 2.341 -2.341 3.779) 5.025 7.060 ( 3.125 -3.125 -7.032) 8.305 7.214 ( 0.942 -0.942 -6.299) 6.439 7.416 ( -4.442 4.442 -2.835) 6.892 7.642 ( -9.359 9.359 -4.169) 13.877 8.021 ( 2.365 -2.365 -2.630) 4.255 8.466 ( -10.676 10.676 2.135) 15.249 10.333 ( 7.387 -7.387 -2.682) 10.786 10.760 ( -6.118 6.118 4.456) 9.732 11.654 ( 0.662 -0.662 3.817) 3.930 11.802 ( -3.313 3.313 5.145) 6.959 12.097 ( 9.029 -9.029 8.765) 15.488 12.535 ( -6.266 6.266 17.999) 20.062 13.653 ( 4.723 -4.723 -18.362) 19.539 14.004 ( -7.106 7.106 -18.556) 21.102 22.003 ( -0.207 0.207 -0.326) 0.438 22.098 ( -3.868 3.868 0.110) 5.471 23.354 ( 7.363 -7.363 5.717) 11.879 23.452 ( 3.688 -3.688 18.630) 19.346 24.135 ( 6.582 -6.582 -0.688) 9.334 24.643 ( -8.559 8.559 -8.936) 15.045 24.756 ( 1.837 -1.837 0.316) 2.618 24.956 ( -7.211 7.211 -3.900) 10.918 ======================= Grid point 144 (47/102) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 5.430 -52.136 -0.000) 52.418 1.821 ( 23.740 -11.379 -0.000) 26.326 3.018 ( 35.854 -0.655 -0.000) 35.860 3.115 ( 14.841 -10.242 -0.000) 18.032 3.562 ( -0.697 7.321 0.000) 7.354 3.803 ( 14.861 -11.318 -0.000) 18.680 3.919 ( 19.343 -9.180 -0.000) 21.411 4.437 ( -21.302 -0.006 0.000) 21.302 4.723 ( -6.558 13.212 0.000) 14.750 4.782 ( 0.873 5.221 0.000) 5.293 5.039 ( -3.795 3.891 0.000) 5.435 5.577 ( -19.655 6.188 0.000) 20.606 6.875 ( 4.541 -1.781 -0.000) 4.878 6.876 ( 3.135 -2.302 -0.000) 3.890 6.969 ( 3.252 2.719 -0.000) 4.239 7.057 ( 5.930 -7.246 -0.000) 9.364 7.225 ( -1.594 0.444 0.000) 1.654 7.768 ( -11.364 3.609 0.000) 11.923 8.025 ( -3.472 5.792 0.000) 6.753 8.772 ( -13.376 7.125 0.000) 15.155 10.023 ( 2.287 -9.222 -0.000) 9.501 11.083 ( -20.392 4.519 0.000) 20.887 11.621 ( 10.348 2.052 -0.000) 10.550 12.062 ( 1.989 7.659 0.000) 7.913 12.103 ( 13.009 -9.131 -0.000) 15.893 13.052 ( 3.854 -5.653 -0.000) 6.841 13.356 ( -7.808 6.588 0.000) 10.216 13.528 ( -3.119 2.576 0.000) 4.045 22.026 ( -0.253 1.913 0.000) 1.930 22.256 ( -4.595 7.266 0.000) 8.597 23.014 ( 2.455 -16.249 -0.000) 16.434 23.887 ( -14.654 -9.463 0.000) 17.444 24.060 ( 14.023 1.436 -0.000) 14.096 24.635 ( 1.103 11.841 0.000) 11.893 24.683 ( 0.950 -1.854 -0.000) 2.083 25.048 ( -4.102 4.792 0.000) 6.308 ======================= Grid point 145 (48/102) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 7.990 -41.618 8.975) 43.318 1.929 ( 22.504 -6.692 26.042) 35.063 3.002 ( 13.887 -6.187 0.516) 15.211 3.125 ( 39.614 -0.742 14.326) 42.131 3.671 ( 10.377 -1.760 0.142) 10.526 3.707 ( 4.232 -0.787 3.801) 5.743 3.853 ( 16.293 -2.797 5.937) 17.565 4.438 ( -19.262 0.430 0.221) 19.268 4.543 ( -0.998 0.248 -20.686) 20.712 5.048 ( -2.646 6.211 5.336) 8.606 5.132 ( -4.653 9.071 4.263) 11.050 5.481 ( -14.821 -4.416 -11.761) 19.429 6.808 ( 3.718 -0.604 -6.558) 7.563 6.882 ( 4.189 -1.177 2.598) 5.068 6.897 ( 6.241 -3.056 -2.876) 7.521 7.088 ( 5.366 1.297 7.407) 9.238 7.397 ( -8.940 0.479 15.682) 18.057 7.826 ( -12.412 1.629 3.165) 12.912 8.111 ( -4.526 4.125 1.696) 6.354 8.832 ( -13.182 3.744 -1.863) 13.830 9.940 ( 1.454 -5.516 2.755) 6.335 11.051 ( -11.993 1.848 -8.396) 14.755 11.665 ( 2.786 1.374 -0.784) 3.204 11.891 ( 11.688 -4.740 -9.495) 15.787 12.132 ( 2.569 4.257 -3.227) 5.927 13.005 ( -6.117 -0.056 -16.144) 17.264 13.261 ( 3.700 0.227 12.761) 13.289 13.900 ( -6.017 2.882 25.084) 25.956 22.060 ( -0.631 1.836 0.985) 2.177 22.363 ( -5.060 7.983 0.192) 9.453 22.805 ( 1.302 -12.611 -0.951) 12.713 23.595 ( 0.605 -5.769 -19.830) 20.661 24.029 ( 6.270 0.060 -5.690) 8.467 24.621 ( -1.719 -0.975 -1.036) 2.231 24.815 ( -2.292 2.043 2.431) 3.917 25.244 ( -3.274 6.716 15.235) 16.969 ======================= Grid point 146 (49/102) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 7.393 -0.000 20.851) 22.122 2.340 ( 20.818 -0.000 29.276) 35.923 2.953 ( 10.154 0.000 -1.635) 10.285 3.449 ( 36.142 -0.000 28.140) 45.805 3.641 ( 15.579 0.000 -0.272) 15.581 3.713 ( 8.859 0.000 -0.732) 8.889 4.034 ( 0.902 -0.000 11.166) 11.203 4.209 ( -0.273 0.000 -19.256) 19.258 4.495 ( -10.716 -0.000 9.590) 14.380 5.112 ( -16.170 0.000 -16.427) 23.050 5.137 ( -1.478 -0.000 4.133) 4.389 5.422 ( -1.630 -0.000 8.689) 8.841 6.641 ( 4.741 0.000 -14.025) 14.805 6.849 ( 5.727 0.000 -0.692) 5.769 6.937 ( 2.408 -0.000 4.156) 4.804 7.236 ( 6.734 -0.000 9.804) 11.894 7.584 ( -15.147 -0.000 5.452) 16.098 7.905 ( -12.534 -0.000 4.954) 13.478 8.175 ( -5.368 -0.000 2.492) 5.918 8.818 ( -11.609 0.000 -3.240) 12.053 9.966 ( 1.099 -0.000 5.431) 5.541 10.921 ( 2.950 0.000 -8.720) 9.206 11.533 ( -4.550 0.000 -13.013) 13.785 11.829 ( 6.139 -0.000 2.143) 6.503 12.080 ( 2.221 0.000 -6.597) 6.961 12.688 ( -5.630 0.000 -20.721) 21.473 13.591 ( -1.504 -0.000 22.858) 22.907 14.288 ( -5.867 -0.000 21.489) 22.276 22.098 ( -0.899 -0.000 1.899) 2.101 22.452 ( -5.600 -0.000 1.794) 5.880 22.679 ( 1.859 0.000 -1.641) 2.480 23.216 ( 10.860 0.000 -21.551) 24.132 23.916 ( 1.804 0.000 -8.016) 8.217 24.613 ( -3.006 -0.000 0.474) 3.043 24.823 ( -2.423 0.000 -1.471) 2.834 25.556 ( -5.139 -0.000 15.747) 16.564 ======================= Grid point 152 (50/102) ======================= q-point: (-0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -0.039 -0.039 -11.690) 11.690 2.925 ( 0.039 0.039 -11.690) 11.690 3.660 ( -6.271 -6.271 -2.478) 9.209 3.660 ( 6.271 6.271 -2.478) 9.209 4.080 ( -2.939 -2.939 0.853) 4.243 4.080 ( 2.939 2.939 0.853) 4.243 4.178 ( -1.985 -1.985 -17.914) 18.132 4.178 ( 1.985 1.985 -17.914) 18.132 4.458 ( -0.644 -0.644 6.327) 6.392 4.458 ( 0.644 0.644 6.327) 6.392 4.933 ( -0.002 -0.002 -4.554) 4.554 4.933 ( 0.002 0.002 -4.554) 4.554 6.932 ( -0.202 -0.202 7.404) 7.410 6.932 ( 0.202 0.202 7.404) 7.410 7.166 ( -1.426 -1.426 -5.254) 5.628 7.166 ( 1.426 1.426 -5.254) 5.628 7.424 ( -0.287 -0.287 -4.645) 4.663 7.424 ( 0.287 0.287 -4.645) 4.663 8.189 ( -1.921 -1.921 -0.157) 2.722 8.189 ( 1.921 1.921 -0.157) 2.722 10.551 ( -4.058 -4.058 -0.235) 5.744 10.551 ( 4.058 4.058 -0.235) 5.744 11.712 ( -6.339 -6.339 4.575) 10.065 11.712 ( 6.339 6.339 4.575) 10.065 12.337 ( -1.401 -1.401 14.192) 14.330 12.337 ( 1.401 1.401 14.192) 14.330 13.812 ( -0.298 -0.298 -17.790) 17.795 13.812 ( 0.298 0.298 -17.790) 17.795 22.022 ( -0.005 -0.005 0.022) 0.023 22.022 ( 0.005 0.005 0.022) 0.023 23.481 ( -8.837 -8.837 13.292) 18.245 23.481 ( 8.837 8.837 13.292) 18.245 24.369 ( -11.213 -11.213 -8.957) 18.213 24.369 ( 11.213 11.213 -8.957) 18.213 24.824 ( -6.679 -6.679 0.776) 9.477 24.824 ( 6.679 6.679 0.776) 9.477 ======================= Grid point 155 (51/102) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 19.823 -11.576 -0.000) 22.956 2.506 ( 4.441 -41.625 -0.000) 41.862 3.130 ( -6.677 3.970 0.000) 7.768 3.462 ( 12.202 -9.374 -0.000) 15.387 3.760 ( 29.520 0.523 -0.000) 29.524 3.938 ( -22.249 -3.354 0.000) 22.501 4.239 ( 7.423 -7.991 -0.000) 10.907 4.359 ( 13.695 -11.763 -0.000) 18.054 4.423 ( -8.330 14.202 0.000) 16.465 4.687 ( 2.294 10.151 0.000) 10.407 4.898 ( -5.785 7.077 0.000) 9.141 5.196 ( -19.341 10.182 0.000) 21.858 6.954 ( 2.630 -3.159 -0.000) 4.110 6.967 ( 5.443 -0.616 -0.000) 5.477 7.025 ( 4.818 -1.584 -0.000) 5.072 7.156 ( -0.632 -0.221 0.000) 0.669 7.213 ( 1.955 -0.625 -0.000) 2.053 7.569 ( -7.118 7.764 0.000) 10.533 7.974 ( 1.900 -3.169 -0.000) 3.695 8.469 ( -14.188 8.909 0.000) 16.753 10.211 ( 3.259 -12.633 -0.000) 13.047 10.752 ( -18.457 4.670 0.000) 19.039 11.740 ( 10.831 1.859 -0.000) 10.989 11.972 ( 1.845 9.249 0.000) 9.431 12.425 ( 12.616 -11.806 -0.000) 17.278 13.045 ( -11.065 4.934 0.000) 12.116 13.249 ( 3.787 -0.636 -0.000) 3.840 13.443 ( -3.566 3.203 0.000) 4.793 22.010 ( 0.863 0.707 -0.000) 1.115 22.118 ( -3.066 5.052 0.000) 5.909 23.287 ( 0.872 -19.733 -0.000) 19.752 23.772 ( -19.799 -7.732 0.000) 21.255 24.218 ( 14.620 4.122 -0.000) 15.190 24.487 ( 5.191 15.599 0.000) 16.440 24.736 ( 1.744 -3.254 -0.000) 3.692 24.927 ( -4.756 3.793 0.000) 6.083 ======================= Grid point 156 (52/102) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 7.742 -45.490 3.314) 46.263 2.333 ( 18.195 -11.356 21.752) 30.547 3.289 ( 6.089 -2.717 1.829) 6.914 3.393 ( 5.323 0.382 13.136) 14.178 3.767 ( 20.585 -0.870 0.387) 20.607 3.926 ( -1.864 -2.048 3.189) 4.224 4.131 ( 0.763 -8.030 3.413) 8.759 4.221 ( 6.660 -4.374 -2.297) 8.292 4.488 ( -1.825 5.110 -12.981) 14.069 4.810 ( -7.891 12.415 -2.938) 15.001 5.005 ( -3.537 4.472 3.041) 6.462 5.296 ( -13.278 3.621 1.630) 13.859 6.877 ( 3.128 -2.500 -5.171) 6.541 6.979 ( 3.653 0.222 -1.972) 4.157 6.993 ( 7.350 -1.978 1.157) 7.699 7.167 ( 5.565 0.434 5.761) 8.021 7.304 ( -4.148 -0.312 8.634) 9.584 7.664 ( -6.878 2.231 3.714) 8.129 7.988 ( -3.483 3.583 0.872) 5.072 8.570 ( -14.265 6.614 -0.732) 15.741 10.068 ( 1.706 -9.939 2.070) 10.295 10.799 ( -17.946 2.641 -0.170) 18.140 11.732 ( 9.047 2.422 -6.262) 11.267 12.066 ( 4.124 5.127 -3.593) 7.497 12.165 ( 9.978 -6.340 -10.764) 15.988 12.889 ( -8.063 2.922 -20.396) 22.126 13.341 ( 5.488 -2.234 15.957) 17.022 13.761 ( -6.244 4.762 23.299) 24.587 22.030 ( 0.171 1.597 0.644) 1.731 22.198 ( -3.875 6.628 0.139) 7.679 23.017 ( -0.004 -16.186 -2.155) 16.328 23.615 ( -11.453 -8.576 -6.602) 15.757 24.136 ( 11.290 3.135 -13.169) 17.627 24.615 ( -0.236 0.012 -1.176) 1.199 24.754 ( -1.292 2.770 1.492) 3.401 25.112 ( 0.168 8.899 13.886) 16.494 ======================= Grid point 157 (53/102) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 7.047 -33.003 15.144) 36.989 2.628 ( 17.416 -3.467 27.060) 32.366 3.155 ( 10.804 -7.852 -4.224) 14.008 3.651 ( -11.335 3.729 2.386) 12.169 3.840 ( 15.561 0.636 5.705) 16.586 3.922 ( 22.786 -4.007 12.756) 26.419 4.156 ( 7.562 -1.352 -0.828) 7.727 4.194 ( -2.850 1.143 -6.840) 7.497 4.318 ( -9.917 -4.209 11.229) 15.562 4.841 ( -12.531 8.104 -11.846) 19.054 5.109 ( -1.119 1.859 4.718) 5.193 5.394 ( -3.062 1.244 6.726) 7.494 6.714 ( 4.208 -1.643 -12.473) 13.266 6.925 ( 4.666 -0.249 -2.637) 5.366 7.005 ( 4.407 -1.837 1.745) 5.084 7.325 ( 7.576 2.223 10.240) 12.930 7.407 ( -9.249 -0.036 3.632) 9.936 7.760 ( -7.063 0.132 6.672) 9.717 8.064 ( -6.581 3.766 1.371) 7.705 8.628 ( -12.086 3.640 -0.771) 12.646 10.016 ( 1.093 -5.015 4.685) 6.950 10.827 ( -13.312 1.277 0.434) 13.380 11.557 ( 6.014 -0.577 -16.999) 18.041 11.948 ( 8.135 -2.470 -2.622) 8.897 12.091 ( 2.569 2.949 -6.400) 7.500 12.600 ( -5.979 1.126 -19.334) 20.268 13.613 ( 3.826 -0.693 19.625) 20.006 14.177 ( -6.319 3.646 21.852) 23.038 22.072 ( -0.571 1.724 1.652) 2.455 22.307 ( -4.965 7.287 1.499) 8.944 22.795 ( 0.779 -10.869 -2.225) 11.121 23.339 ( -0.480 -7.032 -14.058) 15.726 23.960 ( 4.698 0.495 -11.693) 12.611 24.590 ( -1.331 -1.091 -0.106) 1.724 24.779 ( -2.708 1.202 -0.971) 3.117 25.471 ( 0.312 6.987 15.021) 16.570 ======================= Grid point 158 (54/102) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 5.730 -0.000 20.261) 21.056 2.963 ( 5.674 0.000 -12.048) 13.317 3.009 ( 17.831 -0.000 22.358) 28.598 3.657 ( -9.745 0.000 -2.910) 10.170 3.801 ( 10.113 0.000 -2.061) 10.321 3.987 ( 1.610 0.000 -10.576) 10.697 4.126 ( 2.310 0.000 -0.648) 2.399 4.289 ( 10.368 -0.000 25.279) 27.323 4.619 ( -10.425 -0.000 6.661) 12.371 4.838 ( 1.128 -0.000 20.511) 20.542 5.196 ( 0.012 -0.000 4.689) 4.689 5.489 ( -1.494 -0.000 3.305) 3.626 6.457 ( 5.148 0.000 -18.528) 19.230 6.901 ( 3.670 0.000 -0.951) 3.791 6.961 ( -2.193 0.000 -6.828) 7.172 7.410 ( -7.840 0.000 -2.084) 8.113 7.499 ( 8.233 -0.000 9.152) 12.310 7.865 ( -5.465 -0.000 6.740) 8.677 8.111 ( -7.595 -0.000 0.974) 7.658 8.646 ( -8.151 -0.000 -0.187) 8.153 10.070 ( 0.645 -0.000 6.170) 6.204 10.851 ( -7.989 -0.000 1.431) 8.116 11.292 ( 3.876 0.000 -14.700) 15.202 11.921 ( 4.850 0.000 -0.271) 4.858 11.995 ( 1.913 0.000 -7.779) 8.010 12.344 ( -4.494 0.000 -14.321) 15.009 13.882 ( 1.558 -0.000 14.972) 15.053 14.504 ( -4.930 -0.000 16.273) 17.004 22.117 ( -0.885 -0.000 2.094) 2.273 22.419 ( -6.337 -0.000 4.307) 7.662 22.675 ( 1.809 0.000 -2.111) 2.780 23.043 ( 5.509 0.000 -15.862) 16.792 23.809 ( 0.986 0.000 -7.788) 7.850 24.582 ( -1.249 0.000 -0.144) 1.257 24.772 ( -2.192 0.000 -0.830) 2.344 25.718 ( -0.268 -0.000 10.123) 10.127 ======================= Grid point 164 (55/102) ======================= q-point: ( 0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 11.572 -8.170 -0.000) 14.165 2.658 ( -8.170 11.572 0.000) 14.165 3.320 ( -3.165 -30.291 -0.000) 30.456 3.320 ( -30.291 -3.165 0.000) 30.456 3.928 ( 9.135 -4.109 -0.000) 10.016 3.928 ( -4.109 9.135 0.000) 10.016 4.281 ( 7.793 5.681 0.000) 9.644 4.281 ( 5.681 7.793 0.000) 9.644 4.699 ( 4.325 0.323 0.000) 4.338 4.699 ( 0.323 4.325 0.000) 4.338 4.783 ( 7.305 -9.261 -0.000) 11.795 4.783 ( -9.261 7.305 0.000) 11.795 7.020 ( -0.024 -0.764 0.000) 0.764 7.020 ( -0.764 -0.024 0.000) 0.764 7.083 ( 3.885 -2.588 -0.000) 4.668 7.083 ( -2.588 3.885 0.000) 4.668 7.353 ( 10.422 -4.671 -0.000) 11.421 7.353 ( -4.671 10.422 0.000) 11.421 8.164 ( 5.858 -10.038 -0.000) 11.622 8.164 ( -10.038 5.858 0.000) 11.622 10.456 ( 0.929 -12.559 0.000) 12.593 10.456 ( -12.559 0.929 0.000) 12.593 11.861 ( 7.281 4.832 0.000) 8.739 11.861 ( 4.832 7.281 0.000) 8.739 12.757 ( 5.672 -7.765 -0.000) 9.616 12.757 ( -7.765 5.672 0.000) 9.616 13.345 ( 1.952 -1.580 0.000) 2.511 13.345 ( -1.580 1.952 0.000) 2.511 22.036 ( 2.691 -1.082 -0.000) 2.901 22.036 ( -1.082 2.691 0.000) 2.901 23.560 ( -9.644 -14.951 0.000) 17.791 23.560 ( -14.951 -9.644 0.000) 17.791 24.353 ( 11.398 10.316 0.000) 15.373 24.353 ( 10.316 11.398 0.000) 15.373 24.819 ( -0.128 -1.557 0.000) 1.562 24.819 ( -1.557 -0.128 0.000) 1.562 ======================= Grid point 166 (56/102) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 10.883 -29.132 2.126) 31.171 2.716 ( 6.710 -15.134 15.673) 22.797 3.090 ( -14.323 2.402 7.345) 16.274 3.453 ( -25.075 2.996 14.258) 29.000 3.781 ( 9.649 -13.467 -1.454) 16.631 4.070 ( 5.908 8.648 0.979) 10.519 4.261 ( 3.328 2.684 -5.022) 6.595 4.345 ( 4.878 -6.747 -4.328) 9.383 4.571 ( 1.623 6.241 -2.861) 7.054 4.582 ( 5.954 -3.270 -9.722) 11.860 4.903 ( 0.741 4.741 7.221) 8.670 5.034 ( -9.057 10.675 8.091) 16.169 6.955 ( 2.197 -2.984 -3.852) 5.345 7.008 ( 0.597 0.399 -2.487) 2.588 7.079 ( 1.612 -0.877 1.110) 2.145 7.176 ( 0.677 3.842 5.052) 6.383 7.340 ( 7.948 -2.655 4.757) 9.635 7.530 ( -3.246 9.203 4.317) 10.671 8.008 ( 2.413 -8.135 -0.988) 8.543 8.282 ( -12.409 7.176 1.360) 14.398 10.252 ( 1.360 -13.050 0.455) 13.128 10.527 ( -16.056 1.839 3.035) 16.444 11.815 ( 8.380 3.979 -9.355) 13.175 12.017 ( 4.686 8.010 0.386) 9.288 12.416 ( 7.050 -9.650 -16.433) 20.319 12.713 ( -7.495 5.987 -17.422) 19.888 13.462 ( 5.608 -4.166 18.068) 19.371 13.608 ( -5.507 5.506 20.360) 21.799 22.031 ( 1.795 0.055 0.325) 1.825 22.084 ( -1.982 4.129 0.146) 4.582 23.215 ( -4.275 -14.912 -6.717) 16.904 23.542 ( -15.929 -10.047 3.862) 19.224 24.224 ( 10.545 6.764 -17.947) 21.887 24.608 ( 3.750 4.436 2.216) 6.217 24.717 ( -2.337 -1.188 -2.605) 3.696 25.023 ( 3.966 7.654 14.599) 16.954 ======================= Grid point 167 (57/102) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 6.609 -41.994 9.368) 43.531 2.902 ( 12.045 -6.146 22.937) 26.626 3.241 ( -18.076 4.950 0.891) 18.763 3.542 ( -1.740 -13.395 -3.824) 14.038 3.797 ( -7.504 7.367 12.082) 16.017 4.123 ( 3.711 -5.110 -5.184) 8.171 4.196 ( 7.734 0.733 2.757) 8.243 4.297 ( -2.413 0.632 9.917) 10.226 4.332 ( -0.491 -2.705 -11.813) 12.128 4.683 ( 9.520 4.615 3.779) 11.235 5.065 ( 1.195 3.464 6.643) 7.586 5.284 ( -3.843 7.637 7.087) 11.105 6.801 ( 3.221 -3.507 -10.715) 11.726 6.962 ( 0.662 1.225 -5.040) 5.229 7.063 ( -0.203 -1.873 -1.037) 2.150 7.324 ( 0.753 2.536 4.834) 5.511 7.408 ( 6.992 0.266 7.590) 10.323 7.719 ( 0.819 3.308 8.598) 9.248 7.934 ( -5.300 -0.624 -0.513) 5.361 8.402 ( -10.422 5.919 2.542) 12.252 10.127 ( 0.823 -8.934 3.180) 9.518 10.598 ( -16.065 0.646 3.945) 16.555 11.653 ( 7.716 1.673 -16.718) 18.489 12.072 ( 3.473 3.815 -3.948) 6.496 12.107 ( 5.867 -4.128 -9.500) 11.904 12.495 ( -5.145 2.847 -17.040) 18.026 13.705 ( 5.963 -2.660 18.344) 19.472 14.026 ( -5.715 6.008 21.805) 23.329 22.051 ( 0.724 1.132 1.187) 1.792 22.159 ( -3.143 5.684 1.030) 6.576 22.947 ( -1.810 -11.212 -4.854) 12.351 23.392 ( -10.059 -11.592 -4.005) 15.862 24.015 ( 5.841 2.551 -15.867) 17.100 24.606 ( 0.972 -1.545 -0.616) 1.926 24.719 ( -2.303 2.399 -0.857) 3.434 25.389 ( 5.188 9.926 14.488) 18.312 ======================= Grid point 168 (58/102) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 5.461 -27.473 16.582) 32.551 3.055 ( 6.303 -3.052 -10.976) 13.020 3.262 ( 6.954 -4.186 17.322) 19.130 3.433 ( -18.439 -0.458 1.043) 18.474 3.875 ( -13.328 3.650 -6.473) 15.260 3.964 ( -1.541 -4.257 -5.634) 7.228 4.039 ( 0.060 -2.998 -12.208) 12.571 4.364 ( 0.055 1.501 11.384) 11.482 4.667 ( 9.124 -0.740 18.229) 20.398 4.887 ( 10.329 3.420 25.362) 27.597 5.196 ( 1.968 1.539 5.595) 6.128 5.446 ( -1.661 3.350 3.943) 5.434 6.533 ( 3.612 -2.235 -18.139) 18.630 6.872 ( -3.711 2.824 -11.527) 12.435 6.987 ( 0.631 -3.946 -3.037) 5.020 7.358 ( -0.961 -0.551 0.866) 1.406 7.572 ( 6.121 3.262 6.585) 9.564 7.864 ( 2.865 -2.881 9.479) 10.314 7.978 ( -6.740 4.664 2.277) 8.507 8.517 ( -6.821 3.545 3.626) 8.499 10.107 ( 0.544 -3.965 5.256) 6.606 10.662 ( -16.008 -0.023 3.584) 16.405 11.404 ( 9.050 -0.261 -14.443) 17.046 11.981 ( 3.716 0.281 -4.927) 6.177 12.014 ( 1.824 0.653 -6.728) 7.001 12.287 ( -3.117 0.341 -12.203) 12.599 13.935 ( 4.915 -0.872 13.913) 14.782 14.409 ( -4.332 4.126 17.820) 18.798 22.094 ( -0.323 1.473 1.888) 2.416 22.275 ( -5.101 6.308 3.267) 8.746 22.757 ( 0.284 -6.902 -3.579) 7.779 23.128 ( -3.154 -9.270 -10.232) 14.162 23.830 ( 1.638 -0.102 -9.912) 10.047 24.586 ( 1.143 -0.571 -0.111) 1.283 24.733 ( -2.198 1.193 -0.441) 2.540 25.698 ( 4.104 6.349 10.239) 12.728 ======================= Grid point 169 (59/102) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 3.564 -0.000 14.507) 14.939 2.770 ( 1.583 0.000 -16.279) 16.356 3.400 ( -7.010 0.000 -5.048) 8.639 3.518 ( 2.758 -0.000 13.160) 13.446 3.791 ( -31.213 0.000 -5.347) 31.667 3.844 ( 0.134 0.000 -6.338) 6.340 3.892 ( 4.197 0.000 -3.931) 5.751 4.584 ( 3.226 -0.000 12.946) 13.342 4.844 ( 9.113 -0.000 13.584) 16.358 5.274 ( 2.000 -0.000 3.048) 3.646 5.394 ( 7.036 -0.000 22.985) 24.038 5.502 ( -0.955 -0.000 1.130) 1.480 6.247 ( 4.023 0.000 -11.461) 12.146 6.637 ( -7.093 0.000 -20.280) 21.485 6.916 ( 1.779 0.000 -1.968) 2.653 7.369 ( -0.477 -0.000 0.995) 1.103 7.643 ( -1.519 0.000 -0.230) 1.536 7.967 ( 4.289 -0.000 6.578) 7.853 8.081 ( 0.610 -0.000 5.591) 5.624 8.600 ( -3.040 -0.000 3.686) 4.778 10.161 ( 0.210 -0.000 4.326) 4.331 10.706 ( -15.766 -0.000 2.238) 15.924 11.236 ( 11.039 0.000 -6.884) 13.009 11.903 ( 1.030 0.000 -6.334) 6.418 11.937 ( -0.014 0.000 -2.809) 2.809 12.147 ( -0.566 0.000 -5.292) 5.322 14.097 ( 4.559 -0.000 7.478) 8.758 14.663 ( -2.211 -0.000 10.754) 10.979 22.137 ( -0.634 -0.000 1.801) 1.909 22.405 ( -7.775 -0.000 6.219) 9.956 22.663 ( 1.320 0.000 -2.227) 2.589 22.874 ( 1.432 0.000 -11.796) 11.883 23.714 ( -0.490 0.000 -4.664) 4.689 24.584 ( 1.434 -0.000 0.233) 1.453 24.740 ( -1.824 -0.000 0.321) 1.852 25.863 ( 4.211 -0.000 5.245) 6.726 ======================= Grid point 176 (60/102) ======================= q-point: ( 0.60 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -14.167 -14.167 6.106) 20.945 2.776 ( -15.565 -15.565 4.773) 22.524 3.090 ( -3.012 -3.012 23.093) 23.482 3.514 ( -2.743 -2.743 1.656) 4.219 3.961 ( -4.871 -4.871 -6.325) 9.352 3.961 ( 3.467 3.467 7.965) 9.353 4.219 ( -1.013 -1.013 -6.679) 6.831 4.305 ( -1.244 -1.244 -12.834) 12.954 4.362 ( 0.408 0.408 11.775) 11.789 4.784 ( 8.399 8.399 5.913) 13.268 5.090 ( 3.294 3.294 8.848) 9.999 5.134 ( 4.662 4.662 8.175) 10.502 6.876 ( -1.291 -1.291 -9.659) 9.830 6.924 ( -0.282 -0.282 -7.368) 7.379 7.074 ( -0.843 -0.843 -0.531) 1.305 7.305 ( 2.545 2.545 4.871) 6.057 7.526 ( 4.402 4.402 7.879) 10.042 7.623 ( 4.972 4.972 5.555) 8.961 7.959 ( -5.030 -5.030 -0.914) 7.172 8.253 ( -0.421 -0.421 5.838) 5.869 10.232 ( -5.067 -5.067 0.633) 7.194 10.444 ( -7.552 -7.552 6.694) 12.605 11.698 ( 5.062 5.062 -16.382) 17.878 12.062 ( 4.571 4.571 -4.175) 7.696 12.204 ( -2.009 -2.009 -12.366) 12.688 12.419 ( 0.789 0.789 -14.577) 14.620 13.812 ( 0.481 0.481 16.059) 16.073 13.897 ( 1.717 1.717 23.765) 23.889 22.071 ( 1.131 1.131 0.341) 1.635 22.073 ( 0.991 0.991 1.483) 2.041 23.018 ( -6.554 -6.554 -7.325) 11.814 23.398 ( -13.702 -13.702 1.471) 19.433 24.039 ( 4.618 4.618 -17.492) 18.672 24.651 ( -0.839 -0.839 -1.479) 1.896 24.659 ( 1.550 1.550 -0.244) 2.205 25.355 ( 8.913 8.913 14.256) 19.029 ======================= Grid point 178 (61/102) ======================= q-point: (-0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 4.982 -38.159 12.176) 40.363 2.910 ( -34.980 4.519 8.189) 36.209 3.232 ( 3.619 -8.977 -11.621) 15.124 3.469 ( -1.472 1.134 14.900) 15.015 3.634 ( -12.520 -6.473 -16.996) 22.080 4.056 ( 5.611 1.164 -4.537) 7.309 4.079 ( -1.369 -4.045 -11.641) 12.399 4.289 ( -4.007 2.395 9.949) 10.990 4.766 ( 4.028 0.079 32.559) 32.807 4.985 ( 11.055 6.595 9.629) 16.076 5.235 ( 6.496 0.127 8.247) 10.499 5.350 ( -1.661 7.033 6.755) 9.892 6.608 ( 0.524 -3.858 -18.542) 18.947 6.780 ( -3.233 2.056 -13.858) 14.378 7.041 ( 0.381 -2.195 -1.477) 2.673 7.356 ( -0.083 0.455 0.102) 0.473 7.631 ( 4.577 -1.752 1.059) 5.014 7.819 ( -1.285 9.124 7.553) 11.914 7.971 ( 4.845 -1.989 9.250) 10.630 8.385 ( -3.366 3.802 6.870) 8.543 10.182 ( -0.527 -5.758 3.402) 6.709 10.472 ( -13.027 -3.269 5.350) 14.457 11.501 ( 6.145 2.134 -13.653) 15.124 12.003 ( 2.814 2.592 -9.124) 9.893 12.034 ( 0.089 -1.046 -6.890) 6.970 12.255 ( -0.596 0.605 -8.738) 8.780 14.022 ( 4.234 -1.183 12.728) 13.466 14.296 ( -1.110 5.356 19.429) 20.184 22.086 ( 1.416 0.485 1.210) 1.925 22.148 ( -2.322 4.056 2.769) 5.432 22.832 ( -2.454 -5.498 -5.927) 8.449 23.191 ( -10.204 -12.752 -4.367) 16.906 23.848 ( 1.450 0.700 -11.336) 11.450 24.623 ( 2.277 -0.942 -0.166) 2.470 24.683 ( -1.467 2.188 -0.434) 2.670 25.671 ( 7.675 8.920 10.211) 15.579 ======================= Grid point 179 (62/102) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 3.289 -25.222 11.838) 28.056 2.833 ( 1.357 -5.754 -17.331) 18.311 3.125 ( -34.077 2.057 10.452) 35.703 3.297 ( -21.025 -2.153 -19.048) 28.452 3.703 ( 9.451 2.402 8.500) 12.936 3.844 ( -4.071 -4.090 -10.937) 12.366 3.977 ( 5.893 -1.378 -4.134) 7.329 4.538 ( -7.514 -0.942 21.136) 22.452 5.026 ( 14.619 0.189 6.967) 16.195 5.290 ( 2.372 3.261 4.905) 6.350 5.395 ( 1.503 6.029 8.106) 10.214 5.527 ( 1.022 -2.291 9.486) 9.812 6.304 ( 2.748 -1.204 -8.213) 8.743 6.546 ( -3.543 1.852 -18.677) 19.100 6.967 ( 1.234 -3.343 -2.835) 4.553 7.359 ( -0.750 0.822 0.031) 1.113 7.584 ( -5.488 -0.864 -3.591) 6.615 8.040 ( 6.546 3.377 7.953) 10.840 8.117 ( 6.776 1.269 9.052) 11.378 8.542 ( -1.979 2.938 6.837) 7.700 10.183 ( 0.081 -2.728 3.705) 4.602 10.505 ( -14.091 -1.644 3.180) 14.538 11.367 ( 7.940 0.728 -6.023) 9.992 11.902 ( 1.158 1.991 -7.404) 7.754 11.930 ( -1.326 -0.638 -5.219) 5.423 12.158 ( 0.685 -0.795 -3.109) 3.282 14.173 ( 5.708 -0.025 7.677) 9.566 14.612 ( -0.687 3.802 12.622) 13.200 22.120 ( 0.081 1.236 1.521) 1.962 22.267 ( -5.449 4.074 4.933) 8.404 22.693 ( -0.120 -2.122 -4.783) 5.234 22.940 ( -4.736 -10.373 -6.766) 13.259 23.714 ( -0.559 -0.825 -5.715) 5.801 24.616 ( 2.587 -0.462 0.437) 2.664 24.707 ( -1.677 1.226 0.557) 2.151 25.899 ( 7.064 5.774 5.854) 10.840 ======================= Grid point 180 (63/102) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.222 0.000 -7.430) 7.433 2.638 ( 1.951 0.000 -0.248) 1.966 2.983 ( -25.490 0.000 -19.461) 32.070 3.307 ( -31.334 -0.000 10.097) 32.921 3.648 ( -8.167 0.000 -9.607) 12.609 3.796 ( 9.154 -0.000 2.464) 9.480 3.911 ( 3.783 0.000 -2.580) 4.579 4.865 ( 0.419 -0.000 17.173) 17.178 5.066 ( 3.195 0.000 -6.293) 7.058 5.317 ( -1.081 0.000 -21.091) 21.119 5.323 ( 2.319 0.000 -0.945) 2.504 5.515 ( -0.027 -0.000 1.729) 1.730 6.191 ( 0.314 0.000 -16.355) 16.358 6.608 ( 8.030 -0.000 27.135) 28.299 6.885 ( -0.147 0.000 -3.563) 3.566 7.389 ( -0.146 -0.000 3.104) 3.107 7.506 ( -7.713 0.000 -5.348) 9.385 8.143 ( 9.128 -0.000 3.019) 9.614 8.251 ( 6.421 -0.000 5.657) 8.557 8.667 ( 1.233 -0.000 6.755) 6.866 10.196 ( -0.009 0.000 -0.283) 0.284 10.530 ( -14.321 -0.000 1.648) 14.415 11.328 ( 8.844 0.000 0.025) 8.844 11.842 ( -0.080 0.000 -1.987) 1.989 11.860 ( -2.496 0.000 -2.628) 3.624 12.154 ( 1.748 -0.000 3.425) 3.845 14.245 ( 7.834 -0.000 1.097) 7.911 14.772 ( 0.716 -0.000 4.251) 4.311 22.154 ( -0.210 -0.000 1.029) 1.050 22.390 ( -9.627 -0.000 6.882) 11.834 22.644 ( 0.569 0.000 -1.825) 1.912 22.729 ( -0.272 0.000 -7.719) 7.724 23.659 ( -1.574 0.000 -0.403) 1.625 24.623 ( 2.674 -0.000 0.954) 2.839 24.732 ( -1.521 -0.000 1.580) 2.193 25.996 ( 7.900 -0.000 1.215) 7.993 ======================= Grid point 188 (64/102) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -16.149 -16.149 9.855) 24.873 2.596 ( -18.547 -18.547 10.568) 28.278 2.922 ( -3.651 -3.651 -19.540) 20.210 3.151 ( -9.924 -9.924 -17.583) 22.498 3.756 ( 6.242 6.242 7.958) 11.884 3.844 ( -5.117 -5.117 -12.367) 14.329 4.043 ( 2.225 2.225 -5.455) 6.297 4.477 ( -5.518 -5.518 23.505) 24.766 5.196 ( 7.833 7.833 4.361) 11.905 5.212 ( 4.111 4.111 11.601) 12.976 5.364 ( 2.292 2.292 0.570) 3.291 5.550 ( -0.685 -0.685 10.122) 10.168 6.336 ( 0.310 0.310 -5.204) 5.222 6.505 ( 0.240 0.240 -19.102) 19.105 7.007 ( -1.478 -1.478 -2.333) 3.133 7.339 ( 0.048 0.048 -1.871) 1.872 7.552 ( -4.240 -4.240 -3.639) 7.014 8.055 ( 7.432 7.432 10.052) 14.543 8.174 ( 3.871 3.871 7.511) 9.294 8.498 ( 1.358 1.358 8.780) 8.988 10.214 ( -1.885 -1.885 2.868) 3.915 10.405 ( -7.662 -7.662 4.067) 11.575 11.418 ( 3.558 3.558 -5.702) 7.605 11.893 ( 1.878 1.878 -8.334) 8.747 11.925 ( -0.896 -0.896 -5.386) 5.533 12.171 ( -0.125 -0.125 -2.533) 2.539 14.221 ( 2.577 2.577 7.691) 8.511 14.573 ( 2.989 2.989 13.491) 14.138 22.115 ( 1.016 1.016 0.528) 1.531 22.192 ( -0.400 -0.400 5.113) 5.145 22.708 ( -1.880 -1.880 -5.930) 6.499 22.984 ( -9.700 -9.700 -4.442) 14.419 23.716 ( -0.825 -0.825 -6.051) 6.162 24.658 ( 0.847 0.847 1.113) 1.636 24.667 ( 0.380 0.380 -0.037) 0.539 25.906 ( 8.051 8.051 6.085) 12.910 ======================= Grid point 189 (65/102) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -0.340 -24.635 -10.898) 26.940 2.548 ( -34.407 -0.620 -15.562) 37.768 2.717 ( 1.158 -5.788 1.473) 6.084 2.977 ( -16.539 -0.418 6.271) 17.692 3.573 ( -8.513 -5.733 -12.143) 15.899 3.873 ( 6.635 4.301 -0.667) 7.935 3.973 ( 2.982 -0.708 -4.032) 5.065 4.816 ( -6.835 -3.430 25.012) 26.155 5.105 ( -2.132 -2.817 -32.150) 32.343 5.328 ( 5.041 3.797 -1.253) 6.434 5.368 ( 4.609 0.514 -2.919) 5.480 5.487 ( 0.138 3.396 0.979) 3.537 6.202 ( 0.314 -0.442 -17.948) 17.956 6.669 ( 7.515 6.265 26.876) 28.602 6.937 ( -0.106 -5.548 1.214) 5.680 7.326 ( -2.851 3.631 -1.711) 4.924 7.459 ( -4.291 -4.245 -0.705) 6.077 8.246 ( 8.071 3.214 4.042) 9.581 8.306 ( 4.666 2.987 4.152) 6.923 8.671 ( 1.926 2.185 9.734) 10.161 10.211 ( -0.200 -1.963 -0.283) 1.993 10.374 ( -10.362 -3.100 1.007) 10.863 11.412 ( 4.399 1.209 0.231) 4.569 11.822 ( 0.428 1.573 -3.396) 3.767 11.853 ( -1.176 -1.187 -1.940) 2.560 12.174 ( 0.640 -0.219 3.615) 3.678 14.339 ( 6.803 2.345 3.027) 7.807 14.764 ( 1.905 2.938 5.255) 6.315 22.140 ( 0.381 1.410 0.628) 1.590 22.275 ( -5.918 -0.815 5.826) 8.344 22.615 ( 0.474 1.775 -4.984) 5.312 22.795 ( -4.917 -8.812 -3.538) 10.693 23.647 ( -1.480 -1.146 -0.896) 2.075 24.663 ( 2.193 -0.750 1.184) 2.603 24.704 ( -1.208 1.282 1.525) 2.329 26.068 ( 8.281 5.665 2.268) 10.287 ======================= Grid point 190 (66/102) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -2.106 0.000 -22.292) 22.391 2.243 ( -33.873 0.000 -20.773) 39.735 2.755 ( 3.009 -0.000 6.525) 7.185 3.121 ( -19.081 -0.000 8.414) 20.854 3.353 ( -12.381 0.000 -9.286) 15.477 3.900 ( 3.719 0.000 -0.015) 3.719 3.928 ( 2.251 -0.000 0.585) 2.326 4.389 ( -9.561 0.000 -49.824) 50.733 5.021 ( -4.778 0.000 -1.779) 5.098 5.309 ( 1.400 0.000 -3.831) 4.079 5.362 ( 12.901 -0.000 1.129) 12.950 5.546 ( 0.583 -0.000 1.141) 1.281 6.048 ( -2.138 -0.000 2.767) 3.497 6.806 ( -1.709 0.000 -4.666) 4.970 7.072 ( 9.072 -0.000 7.354) 11.678 7.325 ( -5.318 0.000 -5.980) 8.003 7.581 ( 3.262 -0.000 24.940) 25.153 8.287 ( 8.572 0.000 -0.406) 8.582 8.365 ( 3.708 0.000 -0.015) 3.708 8.839 ( 4.316 -0.000 9.542) 10.473 10.150 ( -0.133 0.000 -5.325) 5.327 10.350 ( -13.260 0.000 -0.959) 13.295 11.449 ( 3.808 -0.000 3.320) 5.052 11.828 ( -0.103 -0.000 1.467) 1.470 11.846 ( -0.749 -0.000 3.263) 3.347 12.281 ( 1.259 -0.000 10.420) 10.496 14.362 ( 12.150 0.000 -3.158) 12.554 14.799 ( 2.062 0.000 -3.685) 4.223 22.161 ( 0.158 0.000 -0.195) 0.251 22.344 ( -11.538 -0.000 5.620) 12.834 22.626 ( -0.073 0.000 -0.813) 0.816 22.638 ( -0.143 0.000 -3.465) 3.467 23.664 ( -1.767 -0.000 4.170) 4.529 24.680 ( 2.392 -0.000 1.655) 2.909 24.741 ( -1.641 -0.000 2.216) 2.757 26.115 ( 10.110 0.000 -1.896) 10.286 ======================= Grid point 199 (67/102) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -11.488 -11.488 -22.418) 27.686 1.850 ( -14.748 -14.748 -21.504) 29.957 2.822 ( 0.308 0.308 5.126) 5.144 2.942 ( -6.652 -6.652 9.791) 13.579 3.266 ( -8.969 -8.969 -10.691) 16.589 3.923 ( 3.026 3.026 0.560) 4.316 3.951 ( 0.503 0.503 -1.969) 2.093 4.319 ( -5.583 -5.583 -52.213) 52.806 4.985 ( -2.736 -2.736 0.218) 3.875 5.318 ( 0.724 0.724 -3.983) 4.113 5.468 ( 6.034 6.034 1.054) 8.599 5.532 ( 1.672 1.672 1.882) 3.022 6.034 ( -1.644 -1.644 1.058) 2.555 6.790 ( -0.219 -0.219 -4.995) 5.005 7.189 ( 2.932 2.932 3.906) 5.697 7.243 ( 0.431 0.431 -4.873) 4.911 7.605 ( 0.146 0.146 30.673) 30.674 8.361 ( 3.856 3.856 -0.474) 5.475 8.377 ( 2.652 2.652 -0.363) 3.768 8.868 ( 2.591 2.591 10.606) 11.221 10.162 ( -1.017 -1.017 -5.135) 5.333 10.241 ( -6.319 -6.319 -3.110) 9.462 11.474 ( 0.989 0.989 2.492) 2.857 11.824 ( 0.813 0.813 2.593) 2.836 11.845 ( -0.749 -0.749 2.692) 2.893 12.290 ( 0.413 0.413 10.637) 10.653 14.458 ( 6.905 6.905 0.001) 9.765 14.808 ( 2.115 2.115 -3.545) 4.638 22.150 ( 0.941 0.941 -0.329) 1.371 22.266 ( -6.750 -6.750 3.877) 10.304 22.577 ( 3.166 3.166 -2.563) 5.159 22.692 ( -4.797 -4.797 -1.367) 6.921 23.652 ( -1.155 -1.155 4.054) 4.371 24.710 ( -0.189 -0.189 2.929) 2.941 24.716 ( 0.360 0.360 0.823) 0.968 26.186 ( 6.612 6.612 -0.570) 9.368 ======================= Grid point 200 (68/102) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.697 0.000 -25.596) 25.652 1.465 ( -28.550 0.000 -23.075) 36.709 2.829 ( 3.995 0.000 -5.446) 6.754 3.020 ( -8.227 -0.000 1.693) 8.400 3.075 ( -11.755 0.000 -2.463) 12.010 3.343 ( -7.648 0.000 -60.317) 60.800 4.026 ( 1.081 -0.000 9.747) 9.806 4.041 ( -1.019 -0.000 9.639) 9.692 4.755 ( -1.043 0.000 -23.226) 23.250 5.255 ( 0.572 0.000 -4.597) 4.633 5.513 ( 5.520 0.000 -0.788) 5.576 5.548 ( 0.436 0.000 -2.382) 2.421 6.200 ( -2.422 -0.000 18.281) 18.441 6.707 ( -1.826 0.000 -4.560) 4.912 7.137 ( 4.020 0.000 -5.490) 6.805 7.180 ( -2.019 0.000 -6.329) 6.643 8.150 ( 11.345 -0.000 28.931) 31.076 8.363 ( 3.660 -0.000 0.445) 3.687 8.371 ( 1.537 0.000 -3.210) 3.559 9.041 ( 3.294 -0.000 8.858) 9.450 10.043 ( -0.203 0.000 -7.537) 7.540 10.135 ( -12.724 0.000 -3.528) 13.204 11.510 ( -0.185 -0.000 1.449) 1.461 11.901 ( 1.419 -0.000 5.776) 5.948 11.914 ( -0.630 -0.000 6.314) 6.345 12.513 ( 0.840 -0.000 17.636) 17.656 14.494 ( 15.327 0.000 -3.851) 15.803 14.702 ( 1.563 0.000 -12.207) 12.307 22.151 ( 0.222 0.000 -1.405) 1.422 22.242 ( -12.225 -0.000 2.361) 12.451 22.616 ( 0.422 0.000 -0.073) 0.428 22.620 ( -0.265 -0.000 0.398) 0.478 23.738 ( -1.107 -0.000 7.803) 7.882 24.719 ( 0.760 0.000 -0.382) 0.850 24.767 ( -0.994 -0.000 4.239) 4.354 26.210 ( 9.522 0.000 -3.338) 10.090 ======================= Grid point 210 (69/102) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.000 -26.730) 26.730 0.840 ( 0.000 0.000 -26.730) 26.730 2.245 ( 0.000 0.000 -69.967) 69.967 2.701 ( 0.000 0.000 -10.100) 10.100 2.997 ( -0.000 -0.000 0.188) 0.188 2.997 ( -0.000 -0.000 0.188) 0.188 4.256 ( -0.000 -0.000 18.302) 18.302 4.256 ( -0.000 -0.000 18.302) 18.302 4.362 ( 0.000 0.000 -24.326) 24.326 5.191 ( 0.000 0.000 -3.916) 3.916 5.470 ( 0.000 0.000 -8.409) 8.409 5.470 ( 0.000 0.000 -8.409) 8.409 6.468 ( -0.000 -0.000 16.575) 16.575 6.630 ( 0.000 0.000 -3.336) 3.336 7.072 ( 0.000 0.000 -5.748) 5.748 7.072 ( 0.000 0.000 -5.748) 5.748 8.324 ( 0.000 0.000 -3.798) 3.798 8.324 ( 0.000 0.000 -3.798) 3.798 8.764 ( -0.000 -0.000 28.969) 28.969 9.183 ( -0.000 -0.000 6.316) 6.316 9.930 ( 0.000 0.000 -6.378) 6.378 9.930 ( 0.000 0.000 -6.378) 6.378 11.507 ( 0.000 0.000 -0.964) 0.964 12.010 ( -0.000 -0.000 6.175) 6.175 12.010 ( -0.000 -0.000 6.175) 6.175 12.842 ( -0.000 -0.000 23.821) 23.821 14.462 ( 0.000 0.000 -20.066) 20.066 14.617 ( 0.000 0.000 -0.042) 0.042 22.126 ( 0.000 0.000 -1.811) 1.811 22.126 ( 0.000 0.000 -1.811) 1.811 22.630 ( -0.000 -0.000 1.021) 1.021 22.630 ( -0.000 -0.000 1.021) 1.021 23.864 ( -0.000 -0.000 8.954) 8.954 24.701 ( 0.000 0.000 -2.072) 2.072 24.833 ( -0.000 -0.000 4.698) 4.698 26.249 ( 0.000 0.000 -2.468) 2.468 ======================= Grid point 233 (70/102) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 10.085 10.085 7.877) 16.293 3.310 ( 0.782 0.782 3.893) 4.047 3.509 ( 15.242 15.242 2.640) 21.716 3.527 ( 4.818 4.818 3.674) 7.741 3.887 ( 12.829 12.829 -9.983) 20.708 3.921 ( -0.493 -0.493 -6.331) 6.370 4.162 ( 5.660 5.660 -0.742) 8.039 4.487 ( -15.851 -15.851 2.158) 22.521 4.991 ( 7.731 7.731 33.796) 35.520 5.085 ( -3.188 -3.188 4.920) 6.673 5.143 ( -6.540 -6.540 3.958) 10.060 5.252 ( -1.115 -1.115 19.888) 19.951 6.298 ( 5.447 5.447 -17.411) 19.039 6.621 ( -4.732 -4.732 -19.859) 20.957 7.279 ( 2.465 2.465 5.891) 6.845 7.289 ( 4.202 4.202 -3.771) 7.038 7.460 ( -2.060 -2.060 5.344) 6.086 7.723 ( -9.666 -9.666 -0.380) 13.675 8.124 ( 1.234 1.234 2.646) 3.170 8.408 ( -7.175 -7.175 -1.526) 10.261 10.403 ( 5.069 5.069 1.126) 7.257 10.676 ( -2.493 -2.493 -0.598) 3.576 11.383 ( 3.060 3.060 -8.134) 9.213 11.629 ( -4.200 -4.200 -3.691) 6.993 12.042 ( 3.408 3.408 0.557) 4.852 12.196 ( -2.048 -2.048 -4.472) 5.328 14.092 ( 2.278 2.278 8.599) 9.182 14.391 ( -7.037 -7.037 5.638) 11.437 22.017 ( -0.670 -0.670 0.542) 1.092 22.102 ( -3.910 -3.910 0.037) 5.530 23.033 ( 6.277 6.277 -7.686) 11.742 23.194 ( 1.023 1.023 -2.679) 3.044 24.198 ( 14.848 14.848 2.528) 21.149 24.685 ( -1.118 -1.118 -1.822) 2.413 24.696 ( 0.540 0.540 -3.222) 3.311 25.165 ( -16.197 -16.197 5.815) 23.633 ======================= Grid point 234 (71/102) ======================= q-point: (-0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 9.840 0.000 0.000) 9.840 3.275 ( -8.836 0.000 0.000) 8.836 3.633 ( 31.809 0.000 0.000) 31.809 3.651 ( 7.222 0.000 -0.000) 7.222 3.819 ( -0.447 0.000 0.000) 0.447 4.065 ( 3.935 0.000 -0.000) 3.935 4.124 ( -0.092 -0.000 0.000) 0.092 4.340 ( -12.695 -0.000 0.000) 12.695 5.076 ( -5.448 0.000 0.000) 5.448 5.082 ( -3.414 0.000 0.000) 3.414 5.406 ( 5.858 0.000 -0.000) 5.858 5.508 ( 0.133 0.000 0.000) 0.133 6.221 ( -0.157 0.000 0.000) 0.157 6.275 ( -3.245 0.000 -0.000) 3.245 7.276 ( 10.714 0.000 0.000) 10.714 7.413 ( 1.604 -0.000 -0.000) 1.604 7.469 ( -2.669 0.000 0.000) 2.669 7.625 ( -14.146 -0.000 0.000) 14.146 8.160 ( 5.055 0.000 0.000) 5.055 8.340 ( -7.853 0.000 -0.000) 7.853 10.446 ( 7.677 0.000 0.000) 7.677 10.656 ( -7.228 -0.000 0.000) 7.228 11.335 ( 8.555 0.000 0.000) 8.555 11.572 ( -8.255 0.000 0.000) 8.255 12.073 ( 3.918 -0.000 0.000) 3.918 12.150 ( -1.265 0.000 0.000) 1.265 14.186 ( 4.240 0.000 0.000) 4.240 14.372 ( -9.083 0.000 0.000) 9.083 22.020 ( -0.433 0.000 0.000) 0.433 22.071 ( -4.322 0.000 0.000) 4.322 23.016 ( 8.269 -0.000 0.000) 8.269 23.178 ( -2.746 0.000 0.000) 2.746 24.370 ( 25.776 0.000 0.000) 25.776 24.622 ( 1.670 0.000 0.000) 1.670 24.678 ( -2.164 0.000 0.000) 2.164 25.089 ( -24.840 0.000 0.000) 24.840 ======================= Grid point 240 (72/102) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 11.716 -0.000 -0.000) 11.716 1.656 ( 27.587 -0.000 -0.000) 27.587 2.953 ( 14.120 -0.000 -0.000) 14.120 3.012 ( 40.539 -0.000 -0.000) 40.539 3.649 ( 18.279 -0.000 -0.000) 18.279 3.679 ( -3.985 0.000 0.000) 3.985 3.780 ( 20.319 -0.000 -0.000) 20.319 4.440 ( -22.071 0.000 0.000) 22.071 4.834 ( 1.694 -0.000 -0.000) 1.694 4.961 ( -3.186 0.000 0.000) 3.186 5.104 ( -2.650 0.000 0.000) 2.650 5.620 ( -23.820 0.000 0.000) 23.820 6.845 ( 4.569 -0.000 -0.000) 4.569 6.873 ( 2.171 -0.000 -0.000) 2.171 6.891 ( 10.055 -0.000 -0.000) 10.055 7.034 ( 2.479 -0.000 -0.000) 2.479 7.227 ( -1.837 0.000 0.000) 1.837 7.812 ( -12.981 0.000 0.000) 12.981 8.127 ( -4.280 0.000 0.000) 4.280 8.873 ( -13.778 0.000 0.000) 13.778 9.878 ( 1.578 -0.000 -0.000) 1.578 11.139 ( -22.560 0.000 0.000) 22.560 11.667 ( 10.774 -0.000 -0.000) 10.774 11.971 ( 13.024 -0.000 -0.000) 13.024 12.192 ( 2.431 -0.000 -0.000) 2.431 12.958 ( 5.438 -0.000 -0.000) 5.438 13.448 ( -7.788 0.000 0.000) 7.788 13.569 ( -3.200 0.000 0.000) 3.200 22.065 ( -0.854 0.000 0.000) 0.854 22.433 ( -6.438 0.000 0.000) 6.438 22.708 ( 2.123 -0.000 -0.000) 2.123 23.729 ( -12.503 0.000 0.000) 12.503 24.084 ( 16.080 -0.000 -0.000) 16.080 24.656 ( 0.277 -0.000 -0.000) 0.277 24.780 ( -0.806 0.000 0.000) 0.806 25.146 ( -4.176 0.000 0.000) 4.176 ======================= Grid point 246 (73/102) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -4.099 -4.099 -2.450) 6.294 3.126 ( 4.099 4.099 -2.450) 6.294 3.726 ( -4.353 -4.353 -1.417) 6.317 3.726 ( 4.353 4.353 -1.417) 6.317 4.053 ( -6.789 -6.789 -0.008) 9.601 4.053 ( 6.789 6.789 -0.008) 9.601 4.173 ( -1.629 -1.629 5.171) 5.661 4.173 ( 1.629 1.629 5.171) 5.661 5.028 ( -1.244 -1.244 -3.309) 3.748 5.028 ( 1.244 1.244 -3.309) 3.748 5.172 ( -4.796 -4.796 -30.132) 30.886 5.172 ( 4.796 4.796 -30.132) 30.886 6.464 ( -0.850 -0.850 21.154) 21.188 6.464 ( 0.850 0.850 21.154) 21.188 7.359 ( -5.731 -5.731 -5.980) 10.072 7.359 ( 5.731 5.731 -5.980) 10.072 7.480 ( -1.353 -1.353 1.355) 2.345 7.480 ( 1.353 1.353 1.355) 2.345 8.226 ( -3.884 -3.884 -1.611) 5.724 8.226 ( 3.884 3.884 -1.611) 5.724 10.553 ( -5.556 -5.556 0.094) 7.858 10.553 ( 5.556 5.556 0.094) 7.858 11.501 ( -7.133 -7.133 5.786) 11.629 11.501 ( 7.133 7.133 5.786) 11.629 12.129 ( -1.860 -1.860 1.368) 2.965 12.129 ( 1.860 1.860 1.368) 2.965 14.209 ( -3.192 -3.192 -6.834) 8.190 14.209 ( 3.192 3.192 -6.834) 8.190 22.027 ( -0.736 -0.736 -0.258) 1.072 22.027 ( 0.736 0.736 -0.258) 1.072 23.162 ( -5.421 -5.421 5.952) 9.705 23.162 ( 5.421 5.421 5.952) 9.705 24.593 ( -3.124 -3.124 -5.418) 6.991 24.593 ( 3.124 3.124 -5.418) 6.991 24.768 ( -15.411 -15.411 2.760) 21.968 24.768 ( 15.411 15.411 2.760) 21.968 ======================= Grid point 251 (74/102) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 7.992 -43.585 -0.000) 44.311 2.048 ( 24.382 -4.533 -0.000) 24.800 3.204 ( 15.287 -6.868 -0.000) 16.759 3.312 ( 1.739 4.280 0.000) 4.620 3.783 ( 25.441 0.845 -0.000) 25.455 3.880 ( -1.384 0.339 0.000) 1.425 3.997 ( -0.107 -7.117 -0.000) 7.118 4.187 ( 3.504 -2.165 -0.000) 4.119 4.823 ( -5.615 12.334 0.000) 13.552 4.848 ( 1.934 1.951 0.000) 2.747 5.035 ( -3.962 3.102 0.000) 5.032 5.299 ( -24.073 -2.375 0.000) 24.190 6.900 ( 2.458 -0.347 -0.000) 2.482 6.952 ( 9.099 -0.964 -0.000) 9.150 7.054 ( 3.352 2.658 -0.000) 4.278 7.069 ( 8.604 -4.214 -0.000) 9.581 7.205 ( -1.008 -0.384 0.000) 1.078 7.648 ( -9.455 0.308 0.000) 9.460 8.037 ( -4.587 3.659 0.000) 5.868 8.646 ( -15.534 3.512 0.000) 15.926 9.940 ( 1.599 -5.757 -0.000) 5.974 10.827 ( -21.416 1.164 0.000) 21.448 11.809 ( 11.847 1.921 -0.000) 12.002 12.183 ( 12.688 -4.933 -0.000) 13.613 12.190 ( 2.791 5.147 0.000) 5.855 13.021 ( -0.346 -2.470 -0.000) 2.494 13.330 ( -5.250 2.885 0.000) 5.990 13.511 ( -3.660 1.514 0.000) 3.961 22.044 ( -0.546 1.167 0.000) 1.289 22.289 ( -5.496 6.309 0.000) 8.367 22.831 ( 1.372 -11.851 -0.000) 11.931 23.577 ( -15.243 -4.801 0.000) 15.982 24.298 ( 16.275 1.511 -0.000) 16.345 24.669 ( 0.585 -1.342 -0.000) 1.464 24.752 ( 0.571 3.692 0.000) 3.736 25.055 ( -4.259 4.261 0.000) 6.024 ======================= Grid point 252 (75/102) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 9.658 -0.000 12.759) 16.002 2.199 ( 22.081 -0.000 21.685) 30.948 3.145 ( 13.900 0.000 -1.417) 13.972 3.482 ( 3.006 -0.000 16.745) 17.012 3.768 ( 16.125 0.000 -1.024) 16.157 3.881 ( 16.618 0.000 -1.953) 16.732 4.019 ( -4.613 -0.000 10.177) 11.174 4.170 ( -2.173 0.000 -0.257) 2.188 4.543 ( 0.313 0.000 -22.813) 22.815 5.055 ( -1.672 -0.000 3.821) 4.171 5.140 ( -22.429 0.000 -14.360) 26.633 5.210 ( -2.058 -0.000 15.028) 15.168 6.850 ( 2.695 0.000 -6.345) 6.893 6.962 ( 8.119 -0.000 1.920) 8.343 6.970 ( 6.709 0.000 -3.976) 7.799 7.183 ( 7.474 -0.000 9.360) 11.978 7.292 ( -5.952 -0.000 9.225) 10.979 7.679 ( -9.820 -0.000 3.724) 10.503 8.072 ( -5.419 -0.000 0.988) 5.508 8.665 ( -14.784 0.000 -0.635) 14.798 9.921 ( 1.486 -0.000 2.685) 3.068 10.833 ( -19.383 -0.000 -0.105) 19.383 11.777 ( 10.007 0.000 -7.928) 12.767 12.018 ( 11.316 0.000 -10.860) 15.684 12.196 ( 2.576 0.000 -3.886) 4.662 12.917 ( -6.830 0.000 -17.918) 19.176 13.317 ( 4.502 -0.000 13.987) 14.694 13.833 ( -6.531 -0.000 24.875) 25.718 22.061 ( -0.914 -0.000 1.101) 1.431 22.347 ( -6.732 -0.000 0.800) 6.779 22.732 ( 2.493 0.000 -1.115) 2.731 23.476 ( -9.882 0.000 -8.568) 13.080 24.181 ( 13.110 0.000 -14.093) 19.248 24.597 ( -0.724 0.000 -2.730) 2.825 24.797 ( -2.248 -0.000 0.168) 2.254 25.258 ( -1.298 -0.000 17.242) 17.291 ======================= Grid point 261 (76/102) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 5.779 -49.640 -0.000) 49.976 2.429 ( 19.558 -6.520 -0.000) 20.616 3.134 ( -8.716 9.811 0.000) 13.124 3.379 ( -30.975 2.204 0.000) 31.053 3.607 ( 5.253 -13.089 -0.000) 14.104 4.137 ( 21.947 2.731 -0.000) 22.116 4.253 ( 11.868 -7.699 -0.000) 14.146 4.450 ( 15.550 -6.572 -0.000) 16.882 4.501 ( -10.770 13.964 0.000) 17.635 4.824 ( 2.164 5.542 0.000) 5.950 4.915 ( -5.021 5.358 0.000) 7.343 5.025 ( -16.402 2.767 0.000) 16.634 6.950 ( 2.154 -2.221 -0.000) 3.094 7.055 ( 1.109 2.315 0.000) 2.567 7.063 ( 5.096 0.450 -0.000) 5.116 7.169 ( 2.097 1.744 -0.000) 2.727 7.263 ( 8.696 -2.211 -0.000) 8.973 7.569 ( -2.235 1.310 0.000) 2.591 7.950 ( -1.556 -0.715 0.000) 1.713 8.364 ( -15.810 5.788 0.000) 16.836 10.076 ( 1.605 -10.750 -0.000) 10.869 10.531 ( -18.786 1.578 0.000) 18.852 11.937 ( 11.740 2.904 -0.000) 12.094 12.136 ( 3.112 8.458 0.000) 9.012 12.444 ( 11.171 -9.013 -0.000) 14.353 12.951 ( -9.989 2.808 0.000) 10.376 13.286 ( 2.178 -0.082 -0.000) 2.179 13.433 ( -3.604 2.462 0.000) 4.365 22.031 ( 0.633 0.433 -0.000) 0.767 22.146 ( -3.619 5.001 0.000) 6.173 23.033 ( -0.435 -15.991 -0.000) 15.997 23.425 ( -17.232 -5.121 0.000) 17.977 24.479 ( 14.578 3.024 -0.000) 14.889 24.696 ( 1.810 6.856 0.000) 7.091 24.714 ( 1.903 -2.868 -0.000) 3.442 24.927 ( -3.719 5.947 0.000) 7.014 ======================= Grid point 262 (77/102) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 7.311 -38.000 8.278) 39.572 2.503 ( 18.182 -3.279 17.351) 25.345 3.284 ( -16.742 4.813 2.432) 17.589 3.414 ( 8.197 -9.011 0.011) 12.182 3.578 ( -24.963 3.350 18.237) 31.096 4.130 ( 12.843 -4.686 -4.166) 14.292 4.143 ( 19.949 -0.358 -1.376) 19.999 4.364 ( 11.451 0.480 -3.117) 11.877 4.540 ( 2.376 1.572 -16.704) 16.945 4.775 ( -16.724 6.328 -4.908) 18.543 5.018 ( -1.549 2.390 4.590) 5.402 5.186 ( -4.634 0.448 13.240) 14.034 6.890 ( 2.221 -1.198 -5.083) 5.675 7.042 ( 3.443 1.317 -3.906) 5.371 7.060 ( 3.774 -0.551 -0.714) 3.880 7.269 ( 4.645 0.821 5.243) 7.053 7.286 ( 6.645 0.167 8.192) 10.549 7.597 ( -2.489 -2.172 5.431) 6.357 7.970 ( -5.819 2.773 -0.364) 6.456 8.436 ( -14.974 3.234 1.341) 15.378 9.979 ( 1.350 -5.571 2.296) 6.175 10.562 ( -18.754 0.629 1.970) 18.868 11.908 ( 10.781 2.108 -9.469) 14.503 12.173 ( 6.517 0.250 -9.388) 11.431 12.224 ( 5.268 -0.996 -7.456) 9.184 12.812 ( -7.339 1.382 -18.103) 19.582 13.389 ( 4.911 -1.182 16.450) 17.208 13.726 ( -6.205 2.557 23.537) 24.475 22.045 ( -0.414 0.576 0.943) 1.180 22.218 ( -5.440 4.562 0.721) 7.136 22.839 ( 1.362 -9.705 -1.484) 9.911 23.344 ( -13.606 -4.067 -3.101) 14.536 24.345 ( 11.980 2.105 -19.522) 23.001 24.602 ( 0.402 -1.189 -2.157) 2.496 24.756 ( -2.339 1.272 -0.552) 2.719 25.223 ( 1.723 4.844 19.077) 19.758 ======================= Grid point 263 (78/102) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 7.152 -0.000 17.395) 18.808 2.832 ( 14.527 -0.000 26.040) 29.818 3.235 ( 9.261 0.000 -9.340) 13.153 3.395 ( -30.114 -0.000 3.446) 30.310 3.968 ( -16.353 -0.000 11.740) 20.131 4.009 ( 10.844 0.000 -6.164) 12.474 4.174 ( 13.062 -0.000 16.486) 21.034 4.239 ( 2.362 0.000 -17.750) 17.907 4.353 ( 6.264 -0.000 1.922) 6.552 4.777 ( -0.839 -0.000 0.114) 0.846 5.117 ( 0.391 -0.000 5.954) 5.967 5.373 ( -1.877 -0.000 8.998) 9.192 6.752 ( 3.012 0.000 -11.734) 12.114 6.992 ( 4.923 0.000 -3.291) 5.922 7.024 ( -1.106 0.000 -4.010) 4.159 7.326 ( -0.871 -0.000 2.979) 3.103 7.463 ( 8.997 -0.000 10.494) 13.823 7.692 ( -1.204 -0.000 9.013) 9.093 7.991 ( -7.939 -0.000 0.277) 7.944 8.491 ( -11.380 -0.000 2.787) 11.716 9.996 ( 1.047 -0.000 4.653) 4.769 10.607 ( -17.810 -0.000 3.323) 18.117 11.673 ( 9.480 0.000 -19.360) 21.557 12.037 ( 6.935 0.000 -4.454) 8.242 12.144 ( 2.293 0.000 -7.142) 7.501 12.530 ( -5.152 0.000 -17.963) 18.687 13.671 ( 5.253 -0.000 18.821) 19.540 14.116 ( -6.218 -0.000 23.111) 23.933 22.072 ( -0.906 -0.000 1.884) 2.091 22.278 ( -6.690 -0.000 2.270) 7.064 22.740 ( 2.460 0.000 -2.216) 3.310 23.221 ( -8.291 0.000 -8.369) 11.781 24.052 ( 6.752 0.000 -17.920) 19.150 24.584 ( 1.254 0.000 -0.165) 1.265 24.752 ( -2.365 0.000 -0.874) 2.522 25.536 ( 2.577 -0.000 15.970) 16.177 ======================= Grid point 270 (79/102) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -2.683 -21.498 -0.000) 21.665 2.604 ( -21.498 -2.683 0.000) 21.665 2.907 ( -6.438 -6.439 0.000) 9.105 2.907 ( -6.439 -6.438 0.000) 9.105 3.996 ( 15.676 -12.775 -0.000) 20.222 3.996 ( -12.775 15.676 0.000) 20.222 4.415 ( 3.384 3.378 0.000) 4.782 4.415 ( 3.378 3.384 0.000) 4.782 4.738 ( 5.687 -5.047 0.000) 7.603 4.738 ( -5.047 5.687 0.000) 7.603 4.810 ( 5.806 0.518 -0.000) 5.829 4.810 ( 0.518 5.806 0.000) 5.829 7.012 ( 1.117 -1.961 0.000) 2.257 7.012 ( -1.961 1.117 0.000) 2.257 7.123 ( 3.152 2.197 0.000) 3.842 7.123 ( 2.197 3.152 0.000) 3.842 7.450 ( 8.350 -0.469 -0.000) 8.363 7.450 ( -0.469 8.350 0.000) 8.363 8.082 ( 0.567 -8.275 0.000) 8.295 8.082 ( -8.275 0.567 0.000) 8.295 10.276 ( -1.563 -11.915 -0.000) 12.017 10.276 ( -11.915 -1.563 0.000) 12.017 12.049 ( 7.748 6.022 0.000) 9.813 12.049 ( 6.022 7.748 0.000) 9.813 12.720 ( 1.387 -4.462 0.000) 4.673 12.720 ( -4.462 1.387 0.000) 4.673 13.350 ( 0.889 -0.606 0.000) 1.075 13.350 ( -0.606 0.889 0.000) 1.075 22.059 ( 2.497 -1.308 -0.000) 2.819 22.059 ( -1.308 2.497 0.000) 2.819 23.242 ( -7.840 -12.746 0.000) 14.964 23.242 ( -12.746 -7.840 0.000) 14.964 24.611 ( 7.511 6.223 0.000) 9.754 24.611 ( 6.223 7.511 0.000) 9.754 24.803 ( 0.884 0.208 0.000) 0.908 24.803 ( 0.208 0.884 0.000) 0.908 ======================= Grid point 272 (80/102) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 5.336 -46.801 4.570) 47.325 2.718 ( -21.142 0.423 11.727) 24.180 2.790 ( -12.577 0.627 1.026) 12.634 3.298 ( -5.648 7.010 26.002) 27.516 3.758 ( 12.789 -15.746 -2.833) 20.482 4.168 ( -16.125 12.226 -5.662) 21.013 4.335 ( 6.650 -3.639 -8.215) 11.179 4.347 ( 8.221 -0.199 -7.558) 11.169 4.568 ( -2.176 2.340 -17.537) 17.826 4.731 ( 11.773 -0.074 8.194) 14.344 4.969 ( 1.046 2.678 8.348) 8.829 5.077 ( -2.582 6.696 12.936) 14.793 6.945 ( 1.701 -2.675 -4.210) 5.270 7.015 ( -2.590 1.577 -2.641) 4.021 7.099 ( 3.114 1.391 -2.702) 4.351 7.274 ( 3.561 5.291 6.112) 8.833 7.435 ( 10.299 -2.196 3.546) 11.111 7.617 ( 1.658 4.638 6.797) 8.394 7.909 ( -2.789 -5.847 -3.365) 7.300 8.192 ( -11.503 3.690 4.825) 13.008 10.105 ( 0.847 -10.027 1.246) 10.139 10.319 ( -15.089 0.165 3.177) 15.421 12.002 ( 8.942 4.588 -11.414) 15.209 12.168 ( 3.675 5.448 -1.713) 6.791 12.376 ( 3.323 -6.295 -17.313) 18.720 12.689 ( -4.777 2.901 -14.830) 15.849 13.484 ( 4.707 -3.023 19.290) 20.085 13.603 ( -4.888 4.041 20.946) 21.886 22.048 ( 1.086 -0.736 0.700) 1.487 22.104 ( -3.045 3.242 0.617) 4.490 22.993 ( -1.490 -11.164 -3.759) 11.874 23.216 ( -14.279 -5.939 1.347) 15.523 24.436 ( 7.652 4.329 -23.513) 25.103 24.641 ( 1.781 -2.000 -0.937) 2.837 24.702 ( -1.936 2.239 -0.464) 2.996 25.188 ( 4.915 6.475 20.537) 22.087 ======================= Grid point 273 (81/102) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 5.622 -31.777 13.468) 34.968 2.851 ( -39.992 2.432 5.401) 40.428 3.016 ( 7.096 -0.984 24.007) 25.053 3.408 ( 4.769 -7.999 -11.769) 15.008 3.782 ( -7.050 1.806 3.972) 8.291 4.135 ( 3.428 1.048 -5.710) 6.742 4.236 ( -4.351 -0.800 9.534) 10.510 4.278 ( 1.206 0.748 -10.066) 10.165 4.348 ( 3.536 0.763 -2.295) 4.284 4.888 ( 13.764 1.152 9.614) 16.829 5.123 ( 2.340 1.170 7.910) 8.331 5.321 ( -2.278 3.793 8.788) 9.839 6.797 ( 1.574 -1.930 -11.106) 11.382 6.966 ( -3.767 1.411 -6.896) 7.984 7.062 ( 3.866 -0.169 -3.411) 5.158 7.353 ( 2.130 -0.078 0.459) 2.181 7.553 ( 8.491 2.142 8.651) 12.309 7.767 ( 6.385 -3.888 11.036) 13.330 7.853 ( -8.042 3.621 0.025) 8.819 8.327 ( -9.248 2.689 6.576) 11.662 10.043 ( 0.818 -4.841 3.937) 6.293 10.376 ( -15.510 -0.297 4.153) 16.060 11.785 ( 7.311 1.067 -19.620) 20.965 12.125 ( 4.147 -1.193 -6.878) 8.120 12.161 ( 2.247 1.712 -7.391) 7.912 12.465 ( -3.032 1.069 -15.841) 16.164 13.754 ( 5.225 -1.516 18.598) 19.378 14.015 ( -4.875 3.067 23.982) 24.664 22.061 ( -0.194 -0.094 1.719) 1.732 22.166 ( -4.958 3.034 1.849) 6.100 22.820 ( 1.054 -6.202 -3.172) 7.045 23.121 ( -11.246 -4.904 -3.653) 12.801 24.123 ( 4.801 1.387 -20.560) 21.159 24.617 ( 2.612 -0.587 -0.353) 2.700 24.715 ( -1.775 1.145 -0.684) 2.220 25.554 ( 4.752 4.354 16.530) 17.742 ======================= Grid point 274 (82/102) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 4.901 -0.000 17.386) 18.064 2.984 ( -38.131 -0.000 9.169) 39.218 3.088 ( 3.110 0.000 -19.204) 19.454 3.400 ( 8.743 -0.000 19.657) 21.513 3.624 ( -17.981 0.000 -13.156) 22.280 3.998 ( 2.599 0.000 -11.056) 11.357 4.059 ( 5.183 0.000 -9.173) 10.536 4.348 ( -3.747 -0.000 4.012) 5.490 4.769 ( 6.206 -0.000 32.705) 33.289 5.077 ( 12.637 -0.000 17.474) 21.564 5.239 ( 2.858 -0.000 5.950) 6.601 5.445 ( -1.717 -0.000 4.143) 4.484 6.551 ( 1.135 0.000 -18.424) 18.459 6.820 ( -5.041 0.000 -13.795) 14.688 6.999 ( 3.816 0.000 -3.800) 5.385 7.356 ( 0.697 -0.000 0.505) 0.861 7.622 ( -2.851 0.000 -1.002) 3.022 7.910 ( 7.656 -0.000 11.124) 13.504 7.974 ( 1.261 -0.000 9.499) 9.583 8.454 ( -5.890 -0.000 7.148) 9.262 10.086 ( 0.498 -0.000 5.380) 5.403 10.438 ( -15.375 -0.000 4.101) 15.913 11.523 ( 7.387 0.000 -13.783) 15.638 12.022 ( 2.106 0.000 -6.282) 6.625 12.044 ( 1.563 0.000 -8.855) 8.992 12.260 ( -1.035 0.000 -10.719) 10.769 14.000 ( 5.213 -0.000 14.092) 15.025 14.384 ( -3.245 -0.000 19.955) 20.217 22.094 ( -0.760 -0.000 2.300) 2.423 22.233 ( -6.565 -0.000 3.488) 7.434 22.729 ( 1.950 0.000 -3.089) 3.653 22.990 ( -7.088 0.000 -7.698) 10.464 23.863 ( 2.474 0.000 -13.748) 13.969 24.610 ( 2.561 0.000 -0.019) 2.561 24.715 ( -1.675 0.000 -0.356) 1.712 25.803 ( 5.198 -0.000 11.458) 12.582 ======================= Grid point 282 (83/102) ======================= q-point: ( 0.60 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -18.678 -18.678 9.019) 27.912 2.244 ( -20.598 -20.598 9.015) 30.492 3.093 ( 1.238 1.238 23.440) 23.505 3.494 ( -0.022 -0.022 -9.309) 9.309 3.756 ( -8.605 -8.605 -15.875) 20.003 4.047 ( 2.690 2.690 23.796) 24.098 4.264 ( 3.032 3.032 -5.672) 7.111 4.275 ( -0.304 -0.304 -12.403) 12.410 4.377 ( 0.300 0.300 0.735) 0.849 4.990 ( 6.610 6.610 8.782) 12.825 5.164 ( 2.175 2.175 10.447) 10.891 5.237 ( 2.714 2.714 8.113) 8.976 6.832 ( -1.812 -1.812 -11.410) 11.694 6.917 ( -0.245 -0.245 -7.021) 7.029 7.093 ( 2.314 2.314 -3.080) 4.494 7.363 ( 1.737 1.737 0.431) 2.494 7.675 ( 6.154 6.154 11.989) 14.814 7.692 ( -2.179 -2.179 -3.889) 4.962 7.871 ( 0.591 0.591 8.933) 8.972 8.220 ( -2.012 -2.012 8.973) 9.413 10.118 ( -3.317 -3.317 2.253) 5.204 10.235 ( -7.010 -7.010 5.705) 11.438 11.830 ( 3.769 3.769 -19.696) 20.404 12.157 ( 2.486 2.486 -6.003) 6.956 12.173 ( -0.071 -0.071 -9.960) 9.960 12.433 ( 0.284 0.284 -14.232) 14.238 13.825 ( 0.379 0.379 16.885) 16.893 13.936 ( 1.051 1.051 25.993) 26.036 22.082 ( -0.387 -0.387 2.018) 2.091 22.086 ( -0.204 -0.204 1.148) 1.184 22.885 ( -3.126 -3.126 -5.208) 6.831 23.066 ( -9.690 -9.690 -0.279) 13.707 24.146 ( 2.781 2.781 -21.105) 21.468 24.653 ( 0.828 0.828 -0.736) 1.382 24.683 ( 0.340 0.340 -0.443) 0.654 25.555 ( 5.760 5.760 16.686) 18.568 ======================= Grid point 284 (84/102) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 3.606 -27.327 14.782) 31.277 2.419 ( -39.734 1.995 11.680) 41.463 3.165 ( 1.759 -5.761 -20.573) 21.437 3.384 ( -14.148 -2.080 -20.992) 25.400 3.521 ( 4.340 0.831 27.285) 27.640 4.019 ( -1.148 -1.878 -15.912) 16.064 4.147 ( 6.130 -0.298 -6.513) 8.949 4.274 ( -3.542 2.510 0.629) 4.386 4.829 ( 3.559 1.195 40.383) 40.557 5.192 ( 7.880 4.620 8.595) 12.542 5.301 ( 5.007 -1.962 8.072) 9.699 5.396 ( -1.978 3.527 5.336) 6.696 6.562 ( -1.344 -1.804 -18.859) 18.993 6.768 ( -1.340 0.722 -13.289) 13.375 7.054 ( 3.220 0.251 -4.534) 5.567 7.364 ( 0.497 0.258 -0.939) 1.093 7.561 ( -6.644 -3.131 -4.459) 8.592 7.966 ( 6.488 5.833 12.666) 15.380 8.052 ( 6.788 -0.249 11.427) 13.294 8.369 ( -4.028 1.192 9.896) 10.751 10.117 ( 0.147 -3.318 4.556) 5.638 10.266 ( -10.812 -1.997 4.969) 12.065 11.592 ( 3.524 0.892 -13.369) 13.855 12.041 ( 1.326 0.677 -8.527) 8.656 12.056 ( 1.308 1.018 -9.335) 9.481 12.256 ( 0.132 0.046 -8.981) 8.982 14.063 ( 2.939 -0.188 14.126) 14.430 14.337 ( -0.399 2.210 21.487) 21.604 22.092 ( 0.139 -0.986 2.152) 2.371 22.140 ( -4.128 1.459 2.884) 5.242 22.770 ( 0.513 -1.990 -4.583) 5.022 22.927 ( -8.233 -5.824 -3.943) 10.828 23.887 ( 1.716 0.822 -15.146) 15.265 24.648 ( 2.317 -0.274 -0.045) 2.333 24.688 ( -1.008 1.068 -0.411) 1.525 25.847 ( 5.465 3.947 12.157) 13.901 ======================= Grid point 285 (85/102) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 2.446 -0.000 10.297) 10.583 2.604 ( -38.979 -0.000 8.286) 39.850 2.811 ( 1.370 0.000 -17.243) 17.297 3.059 ( -14.285 0.000 -17.238) 22.387 3.756 ( -4.423 0.000 -15.492) 16.111 3.865 ( 10.146 -0.000 10.735) 14.772 4.042 ( 5.134 0.000 -5.830) 7.768 4.407 ( -9.929 -0.000 18.883) 21.334 5.210 ( 11.679 -0.000 7.623) 13.947 5.349 ( 2.793 -0.000 2.374) 3.666 5.474 ( -1.082 -0.000 2.751) 2.956 5.479 ( -0.243 -0.000 8.750) 8.754 6.336 ( 2.713 -0.000 0.713) 2.805 6.525 ( -1.480 0.000 -17.570) 17.632 6.970 ( 2.250 0.000 -5.578) 6.015 7.360 ( -0.584 0.000 -0.093) 0.592 7.473 ( -7.640 0.000 -4.170) 8.704 8.179 ( 8.370 -0.000 7.989) 11.571 8.212 ( 5.908 -0.000 10.046) 11.655 8.533 ( -1.997 -0.000 9.869) 10.069 10.166 ( 0.118 -0.000 3.884) 3.885 10.319 ( -10.730 -0.000 3.524) 11.294 11.456 ( 4.158 0.000 -5.312) 6.746 11.918 ( 0.145 0.000 -7.317) 7.318 11.926 ( 0.617 0.000 -7.801) 7.826 12.163 ( 0.641 0.000 -2.696) 2.771 14.249 ( 4.770 -0.000 9.647) 10.762 14.633 ( 0.246 -0.000 14.197) 14.199 22.121 ( -0.458 -0.000 2.285) 2.330 22.203 ( -6.053 -0.000 3.737) 7.114 22.699 ( 1.128 0.000 -3.442) 3.622 22.800 ( -4.892 0.000 -6.065) 7.792 23.710 ( 0.228 0.000 -8.117) 8.120 24.648 ( 2.313 -0.000 0.346) 2.339 24.697 ( -1.097 -0.000 0.544) 1.225 26.029 ( 6.260 -0.000 7.494) 9.765 ======================= Grid point 294 (86/102) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -11.433 -11.433 8.495) 18.265 2.146 ( -12.927 -12.927 8.775) 20.278 2.856 ( -1.572 -1.572 -17.060) 17.204 2.923 ( -6.238 -6.238 -16.445) 18.662 3.725 ( -3.161 -3.161 -17.298) 17.866 3.939 ( 6.958 6.958 10.105) 14.105 4.099 ( 1.572 1.572 -6.947) 7.294 4.315 ( -6.346 -6.346 19.539) 21.502 5.324 ( 3.765 3.765 8.564) 10.084 5.356 ( 3.479 3.479 3.284) 5.916 5.418 ( 1.859 1.859 1.904) 3.246 5.504 ( -2.306 -2.306 4.443) 5.512 6.359 ( 1.012 1.012 6.564) 6.718 6.512 ( 0.215 0.215 -19.005) 19.008 6.996 ( 0.628 0.628 -6.435) 6.496 7.343 ( 0.162 0.162 -1.991) 2.004 7.422 ( -4.638 -4.638 -2.561) 7.041 8.230 ( 5.098 5.098 9.326) 11.788 8.270 ( 2.703 2.703 7.767) 8.656 8.511 ( -0.335 -0.335 11.948) 11.957 10.178 ( -0.823 -0.823 3.497) 3.685 10.232 ( -4.607 -4.607 3.940) 7.614 11.484 ( 1.241 1.241 -5.034) 5.331 11.924 ( 0.522 0.522 -7.561) 7.597 11.926 ( 0.683 0.683 -8.386) 8.441 12.169 ( -0.013 -0.013 -2.632) 2.632 14.285 ( 1.857 1.857 10.660) 10.978 14.631 ( 1.360 1.360 14.714) 14.839 22.123 ( -0.314 -0.314 1.807) 1.861 22.148 ( -2.070 -2.070 3.607) 4.645 22.702 ( 0.743 0.743 -4.782) 4.896 22.779 ( -4.831 -4.831 -3.753) 7.796 23.713 ( 0.141 0.141 -8.806) 8.809 24.674 ( 0.151 0.151 -0.190) 0.286 24.679 ( 0.615 0.615 0.993) 1.320 26.072 ( 4.034 4.034 8.156) 9.953 ======================= Grid point 295 (87/102) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.181 0.000 -12.145) 12.147 2.113 ( -24.938 0.000 -13.194) 28.213 2.709 ( 2.428 -0.000 2.132) 3.231 2.794 ( -9.482 -0.000 3.771) 10.205 3.431 ( -5.713 0.000 -16.678) 17.629 3.988 ( 4.256 0.000 -4.126) 5.928 4.003 ( 2.167 0.000 -5.296) 5.722 4.700 ( -5.234 -0.000 28.023) 28.508 5.040 ( -2.979 0.000 -41.208) 41.316 5.373 ( 0.982 0.000 -2.167) 2.379 5.472 ( 6.041 -0.000 2.492) 6.535 5.515 ( 0.034 -0.000 3.185) 3.186 6.202 ( 0.075 0.000 -19.349) 19.349 6.838 ( 7.166 -0.000 39.799) 40.439 6.888 ( 0.269 0.000 -6.938) 6.944 7.334 ( -3.777 0.000 -3.551) 5.184 7.336 ( -3.304 -0.000 0.569) 3.353 8.360 ( 4.936 -0.000 3.383) 5.984 8.379 ( 2.410 -0.000 3.794) 4.495 8.704 ( 1.041 -0.000 12.390) 12.434 10.196 ( -0.007 0.000 -0.446) 0.446 10.237 ( -5.941 -0.000 -0.036) 5.942 11.459 ( 1.471 -0.000 0.170) 1.481 11.836 ( 0.333 0.000 -3.234) 3.251 11.840 ( -0.051 0.000 -3.252) 3.252 12.178 ( 0.215 -0.000 3.992) 3.998 14.438 ( 4.283 -0.000 6.802) 8.038 14.805 ( 1.341 -0.000 5.952) 6.102 22.149 ( -0.122 -0.000 1.610) 1.615 22.180 ( -4.546 -0.000 2.499) 5.188 22.658 ( 0.345 0.000 -2.916) 2.937 22.676 ( -2.036 0.000 -3.704) 4.226 23.628 ( -0.548 0.000 -2.045) 2.117 24.678 ( 0.602 -0.000 0.976) 1.147 24.704 ( -0.050 -0.000 1.286) 1.287 26.198 ( 4.895 -0.000 4.247) 6.481 ======================= Grid point 305 (88/102) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 0.000 -23.401) 23.401 1.632 ( 0.000 0.000 -23.401) 23.401 2.848 ( -0.000 -0.000 9.431) 9.431 2.848 ( -0.000 -0.000 9.431) 9.431 3.121 ( 0.000 0.000 -16.376) 16.376 3.965 ( 0.000 0.000 -0.323) 0.323 3.965 ( 0.000 0.000 -0.323) 0.323 4.235 ( 0.000 0.000 -56.868) 56.868 4.945 ( -0.000 -0.000 2.577) 2.577 5.328 ( 0.000 0.000 -4.140) 4.140 5.555 ( -0.000 -0.000 1.440) 1.440 5.555 ( -0.000 -0.000 1.440) 1.440 6.009 ( 0.000 0.000 -0.662) 0.662 6.782 ( 0.000 0.000 -6.363) 6.363 7.249 ( 0.000 0.000 -4.621) 4.621 7.249 ( 0.000 0.000 -4.621) 4.621 7.596 ( -0.000 -0.000 44.436) 44.436 8.414 ( 0.000 0.000 -0.698) 0.698 8.414 ( 0.000 0.000 -0.698) 0.698 8.904 ( -0.000 -0.000 11.478) 11.478 10.148 ( 0.000 0.000 -5.490) 5.490 10.148 ( 0.000 0.000 -5.490) 5.490 11.487 ( -0.000 -0.000 1.734) 1.734 11.835 ( -0.000 -0.000 2.743) 2.743 11.835 ( -0.000 -0.000 2.743) 2.743 12.296 ( -0.000 -0.000 10.963) 10.963 14.563 ( -0.000 -0.000 4.379) 4.379 14.837 ( 0.000 0.000 -3.322) 3.322 22.162 ( -0.000 -0.000 0.136) 0.136 22.162 ( -0.000 -0.000 0.136) 0.136 22.626 ( 0.000 0.000 -1.376) 1.376 22.626 ( 0.000 0.000 -1.376) 1.376 23.637 ( -0.000 -0.000 3.793) 3.793 24.707 ( -0.000 -0.000 2.662) 2.662 24.721 ( -0.000 -0.000 0.667) 0.667 26.280 ( -0.000 -0.000 1.355) 1.355 ======================= Grid point 360 (89/102) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 9.456 -0.000 -0.000) 9.456 2.338 ( 21.560 -0.000 -0.000) 21.560 3.282 ( -7.663 0.000 0.000) 7.663 3.354 ( 13.985 -0.000 -0.000) 13.985 3.457 ( -42.825 0.000 0.000) 42.825 4.132 ( 16.438 -0.000 -0.000) 16.438 4.162 ( 25.953 -0.000 -0.000) 25.953 4.362 ( 16.208 -0.000 -0.000) 16.208 4.875 ( -29.403 0.000 0.000) 29.403 4.882 ( -2.398 0.000 0.000) 2.398 4.891 ( 2.231 -0.000 -0.000) 2.231 5.013 ( -3.713 0.000 0.000) 3.713 6.922 ( 1.450 -0.000 -0.000) 1.450 7.053 ( 3.655 -0.000 -0.000) 3.655 7.130 ( 4.664 -0.000 -0.000) 4.664 7.183 ( 10.737 -0.000 -0.000) 10.737 7.222 ( 6.637 -0.000 -0.000) 6.637 7.537 ( -5.891 0.000 0.000) 5.891 7.994 ( -5.287 0.000 0.000) 5.287 8.448 ( -16.699 0.000 0.000) 16.699 9.921 ( 1.484 -0.000 -0.000) 1.484 10.552 ( -19.422 0.000 0.000) 19.422 11.982 ( 11.390 -0.000 -0.000) 11.390 12.263 ( 2.603 -0.000 -0.000) 2.603 12.314 ( 11.281 -0.000 -0.000) 11.281 12.966 ( -5.777 0.000 0.000) 5.777 13.302 ( -1.164 0.000 0.000) 1.164 13.469 ( -3.826 0.000 0.000) 3.826 22.041 ( -0.836 0.000 0.000) 0.836 22.247 ( -6.824 0.000 0.000) 6.824 22.777 ( 2.781 -0.000 -0.000) 2.781 23.345 ( -14.301 0.000 0.000) 14.301 24.518 ( 13.221 -0.000 -0.000) 13.221 24.675 ( 2.604 -0.000 -0.000) 2.604 24.767 ( -1.485 0.000 0.000) 1.485 25.040 ( -2.265 0.000 0.000) 2.265 ======================= Grid point 370 (90/102) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 6.308 -38.709 -0.000) 39.219 2.593 ( 5.498 -1.355 -0.000) 5.663 2.844 ( -36.887 0.210 0.000) 36.887 3.133 ( -7.653 6.049 0.000) 9.755 3.602 ( 12.140 -10.151 -0.000) 15.825 4.361 ( 13.453 -2.301 -0.000) 13.649 4.391 ( -14.491 10.081 0.000) 17.653 4.466 ( 5.887 0.873 -0.000) 5.951 4.582 ( 12.695 -2.707 -0.000) 12.980 4.859 ( -4.053 0.037 0.000) 4.053 4.902 ( 1.528 2.250 0.000) 2.719 4.944 ( -3.688 2.669 0.000) 4.553 6.949 ( 1.294 -1.344 -0.000) 1.866 7.044 ( -2.686 0.464 0.000) 2.726 7.182 ( 6.380 2.722 -0.000) 6.936 7.275 ( 5.799 5.635 -0.000) 8.086 7.384 ( 12.407 -1.843 -0.000) 12.543 7.540 ( 1.699 -4.916 -0.000) 5.201 7.910 ( -4.544 0.733 0.000) 4.602 8.199 ( -16.450 2.617 0.000) 16.657 9.980 ( 1.215 -5.776 -0.000) 5.902 10.305 ( -15.786 0.538 0.000) 15.795 12.118 ( 9.973 1.469 -0.000) 10.080 12.266 ( 2.501 4.495 0.000) 5.144 12.487 ( 8.906 -4.829 -0.000) 10.131 12.852 ( -9.099 1.787 0.000) 9.273 13.308 ( 1.649 -0.376 -0.000) 1.692 13.411 ( -3.282 1.246 0.000) 3.510 22.033 ( -0.207 -0.448 -0.000) 0.494 22.139 ( -5.135 2.461 0.000) 5.694 22.872 ( 1.569 -8.066 -0.000) 8.217 23.171 ( -13.247 -1.619 0.000) 13.346 24.625 ( 2.946 -0.879 -0.000) 3.075 24.727 ( -2.962 0.853 0.000) 3.082 24.773 ( 10.633 0.461 -0.000) 10.642 24.991 ( 0.189 5.187 0.000) 5.191 ======================= Grid point 371 (91/102) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 7.099 -0.000 10.310) 12.518 2.695 ( 8.789 -0.000 14.430) 16.896 2.823 ( -41.357 -0.000 -0.055) 41.357 3.435 ( -5.654 -0.000 28.274) 28.834 3.488 ( 10.152 0.000 -5.615) 11.601 4.278 ( 11.975 0.000 -7.744) 14.261 4.288 ( -7.033 0.000 -14.145) 15.797 4.425 ( -0.621 0.000 -3.960) 4.009 4.568 ( 1.320 0.000 -20.385) 20.428 4.728 ( 10.166 -0.000 11.747) 15.535 5.018 ( -0.910 -0.000 6.498) 6.562 5.161 ( -1.522 -0.000 14.951) 15.028 6.905 ( 1.307 0.000 -4.744) 4.920 7.036 ( -3.209 0.000 -1.750) 3.656 7.137 ( 6.307 0.000 -5.435) 8.326 7.353 ( 7.127 0.000 -0.952) 7.191 7.429 ( 9.424 -0.000 9.798) 13.595 7.569 ( 3.369 -0.000 8.749) 9.375 7.899 ( -7.417 0.000 -2.178) 7.731 8.256 ( -14.129 -0.000 4.610) 14.862 9.958 ( 1.128 -0.000 2.292) 2.554 10.326 ( -15.825 -0.000 2.203) 15.977 12.064 ( 9.550 0.000 -10.635) 14.294 12.264 ( 5.688 0.000 -15.279) 16.303 12.265 ( 2.230 0.000 -4.140) 4.703 12.730 ( -5.762 0.000 -15.688) 16.713 13.443 ( 4.248 -0.000 18.116) 18.607 13.663 ( -5.424 -0.000 22.918) 23.551 22.038 ( -0.727 -0.000 1.021) 1.253 22.165 ( -6.106 -0.000 1.016) 6.190 22.804 ( 2.574 0.000 -1.389) 2.925 23.143 ( -12.009 0.000 -2.212) 12.211 24.483 ( 5.191 0.000 -23.648) 24.211 24.618 ( 3.771 0.000 -0.448) 3.798 24.733 ( -2.027 0.000 -0.495) 2.087 25.290 ( 3.299 -0.000 20.855) 21.114 ======================= Grid point 379 (92/102) ======================= q-point: ( 0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.136 -47.482 -0.000) 47.585 2.066 ( -47.482 3.136 0.000) 47.585 2.919 ( 4.112 1.216 0.000) 4.288 2.919 ( 1.216 4.112 0.000) 4.288 3.961 ( 10.157 -17.957 -0.000) 20.630 3.961 ( -17.957 10.157 0.000) 20.630 4.521 ( 6.168 3.653 -0.000) 7.169 4.521 ( 3.653 6.168 0.000) 7.169 4.766 ( 4.404 -1.125 -0.000) 4.546 4.766 ( -1.125 4.404 0.000) 4.546 4.885 ( 1.818 1.818 0.000) 2.571 4.885 ( 1.818 1.818 0.000) 2.571 6.994 ( 0.177 -1.839 -0.000) 1.848 6.994 ( -1.839 0.177 0.000) 1.848 7.235 ( 5.557 5.144 0.000) 7.573 7.235 ( 5.144 5.557 0.000) 7.573 7.555 ( 4.670 2.341 0.000) 5.224 7.555 ( 2.341 4.670 0.000) 5.224 7.957 ( -3.215 -7.117 0.000) 7.810 7.957 ( -7.117 -3.215 0.000) 7.810 10.110 ( -0.822 -9.397 -0.000) 9.432 10.110 ( -9.397 -0.822 0.000) 9.432 12.214 ( 5.796 4.166 0.000) 7.138 12.214 ( 4.166 5.796 0.000) 7.138 12.679 ( -0.206 -2.550 0.000) 2.559 12.679 ( -2.550 -0.206 0.000) 2.559 13.351 ( 0.284 -0.355 0.000) 0.455 13.351 ( -0.355 0.284 0.000) 0.455 22.059 ( 1.088 -2.314 -0.000) 2.557 22.059 ( -2.314 1.088 0.000) 2.557 23.017 ( -3.229 -8.836 -0.000) 9.408 23.017 ( -8.836 -3.229 0.000) 9.408 24.673 ( 0.033 -1.561 0.000) 1.562 24.673 ( -1.561 0.033 0.000) 1.562 24.902 ( 5.463 5.009 0.000) 7.412 24.902 ( 5.009 5.463 0.000) 7.412 ======================= Grid point 381 (93/102) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 4.432 -35.474 7.673) 36.564 2.147 ( -46.979 2.050 5.025) 47.291 2.848 ( 5.510 -0.437 6.955) 8.884 3.364 ( 1.235 4.831 29.766) 30.180 3.694 ( 7.220 -12.190 -5.706) 15.274 4.003 ( -20.447 4.252 -8.533) 22.560 4.422 ( 7.994 0.073 -10.977) 13.579 4.470 ( 4.704 3.385 -10.099) 11.643 4.584 ( 0.945 0.492 -17.695) 17.727 4.884 ( 9.239 1.112 11.670) 14.926 5.006 ( 0.968 0.816 10.515) 10.591 5.120 ( -1.228 2.723 13.487) 13.813 6.928 ( 0.256 -1.592 -4.821) 5.084 6.990 ( -2.425 0.475 -2.214) 3.318 7.204 ( 6.355 3.518 -5.686) 9.224 7.393 ( 3.566 4.010 0.646) 5.405 7.554 ( 9.343 -0.491 6.013) 11.122 7.693 ( 6.389 -1.949 10.043) 12.062 7.781 ( -8.285 -0.857 -5.583) 10.027 8.072 ( -10.223 0.604 8.640) 13.399 10.009 ( 0.748 -5.432 1.922) 5.810 10.139 ( -11.167 0.078 2.413) 11.425 12.162 ( 6.886 2.522 -12.716) 14.679 12.265 ( 2.174 2.950 -3.983) 5.412 12.339 ( 0.673 -2.936 -16.754) 17.023 12.664 ( -2.395 0.757 -12.652) 12.899 13.507 ( 3.338 -1.709 20.523) 20.863 13.585 ( -3.742 2.005 21.083) 21.506 22.039 ( -0.036 -1.332 0.930) 1.624 22.083 ( -3.974 1.006 0.955) 4.209 22.877 ( 1.166 -5.602 -1.978) 6.054 23.004 ( -9.723 -1.244 -1.053) 9.859 24.511 ( 0.292 -0.146 -20.230) 20.233 24.673 ( 2.341 -0.162 -1.526) 2.799 24.711 ( 1.238 1.980 -3.497) 4.205 25.318 ( 4.162 3.197 21.545) 22.175 ======================= Grid point 382 (94/102) ======================= q-point: (-0.30 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.403 -0.000 15.429) 16.045 2.271 ( -43.568 -0.000 9.017) 44.492 3.097 ( 4.224 -0.000 23.965) 24.334 3.416 ( 3.873 0.000 -16.252) 16.707 3.663 ( -10.599 0.000 -11.991) 16.004 4.141 ( -4.037 -0.000 34.939) 35.171 4.242 ( 5.736 0.000 -12.355) 13.622 4.308 ( 2.600 0.000 -15.676) 15.890 4.386 ( 0.735 0.000 -3.145) 3.229 5.073 ( 11.099 -0.000 10.596) 15.345 5.162 ( 2.545 -0.000 9.044) 9.396 5.318 ( -2.217 -0.000 8.956) 9.226 6.791 ( -0.468 0.000 -11.797) 11.807 6.927 ( -2.346 0.000 -6.800) 7.193 7.140 ( 6.265 0.000 -5.601) 8.404 7.382 ( 2.047 0.000 -1.646) 2.627 7.601 ( -4.045 0.000 -2.522) 4.767 7.838 ( 8.363 -0.000 12.360) 14.924 7.839 ( 2.086 -0.000 10.343) 10.551 8.224 ( -8.160 -0.000 9.923) 12.848 10.020 ( 0.613 -0.000 4.071) 4.116 10.187 ( -11.339 -0.000 3.878) 11.984 11.866 ( 3.564 0.000 -21.014) 21.314 12.170 ( 3.123 0.000 -7.358) 7.993 12.197 ( 1.488 0.000 -7.700) 7.842 12.444 ( -1.068 0.000 -14.437) 14.476 13.804 ( 3.332 -0.000 18.561) 18.858 13.981 ( -2.904 -0.000 25.808) 25.971 22.052 ( -0.559 -0.000 1.832) 1.915 22.114 ( -4.784 -0.000 1.994) 5.183 22.803 ( 1.855 0.000 -2.750) 3.318 22.956 ( -8.593 0.000 -3.515) 9.284 24.179 ( 2.216 0.000 -21.050) 21.167 24.653 ( 2.764 0.000 -0.831) 2.886 24.703 ( -1.145 0.000 -0.531) 1.262 25.644 ( 4.211 -0.000 17.430) 17.931 ======================= Grid point 391 (95/102) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -13.868 -13.868 12.709) 23.370 1.735 ( -15.048 -15.048 12.799) 24.833 3.126 ( 0.965 0.965 23.598) 23.638 3.480 ( -0.870 -0.870 -16.795) 16.840 3.549 ( -5.851 -5.851 -18.138) 19.936 4.110 ( 1.850 1.850 41.023) 41.107 4.285 ( 0.691 0.691 -17.593) 17.620 4.342 ( 2.224 2.224 -8.621) 9.177 4.378 ( -0.198 -0.198 -6.261) 6.267 5.144 ( 4.594 4.594 9.953) 11.885 5.211 ( 1.213 1.213 10.543) 10.682 5.277 ( 0.177 0.177 8.528) 8.532 6.787 ( -1.303 -1.303 -12.290) 12.427 6.910 ( -0.185 -0.185 -6.500) 6.506 7.193 ( 4.755 4.755 -6.173) 9.129 7.400 ( 0.971 0.971 -2.283) 2.664 7.551 ( -6.323 -6.323 -6.205) 10.884 7.847 ( 6.133 6.133 13.374) 15.940 7.937 ( 2.483 2.483 12.181) 12.677 8.143 ( -3.560 -3.560 11.709) 12.746 10.050 ( -1.619 -1.619 3.435) 4.128 10.082 ( -3.910 -3.910 4.385) 7.057 11.889 ( 0.848 0.848 -21.355) 21.389 12.197 ( 1.333 1.333 -8.180) 8.395 12.204 ( 1.083 1.083 -7.413) 7.570 12.436 ( 0.034 0.034 -13.723) 13.723 13.832 ( 0.147 0.147 17.813) 17.814 13.955 ( 0.381 0.381 27.214) 27.220 22.059 ( -0.974 -0.974 1.940) 2.380 22.063 ( -1.151 -1.151 1.713) 2.362 22.837 ( -0.721 -0.721 -3.601) 3.742 22.881 ( -4.007 -4.007 -2.329) 6.127 24.192 ( 0.834 0.834 -20.764) 20.798 24.683 ( 1.097 1.097 -1.770) 2.354 24.685 ( -0.087 -0.087 0.054) 0.134 25.672 ( 2.810 2.810 17.672) 18.113 ======================= Grid point 392 (96/102) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.985 -0.000 15.922) 16.045 1.955 ( -27.425 -0.000 14.250) 30.907 3.138 ( 0.803 0.000 -21.655) 21.670 3.208 ( -9.000 0.000 -21.761) 23.549 3.578 ( 2.448 -0.000 32.167) 32.260 3.994 ( -0.829 0.000 -19.165) 19.183 4.212 ( 3.693 0.000 -7.742) 8.578 4.253 ( -2.137 0.000 -5.756) 6.140 4.881 ( 2.188 -0.000 45.687) 45.740 5.323 ( 2.903 -0.000 6.085) 6.742 5.328 ( 4.862 -0.000 8.025) 9.383 5.393 ( -2.207 -0.000 5.166) 5.618 6.530 ( -1.305 0.000 -18.458) 18.504 6.763 ( -0.150 0.000 -12.834) 12.835 7.118 ( 4.413 0.000 -7.589) 8.779 7.373 ( 0.346 0.000 -1.614) 1.650 7.431 ( -7.012 0.000 -3.623) 7.893 8.112 ( 5.496 -0.000 12.589) 13.736 8.122 ( 5.198 -0.000 11.321) 12.457 8.313 ( -4.400 -0.000 12.566) 13.314 10.096 ( 0.181 -0.000 4.911) 4.915 10.137 ( -5.796 -0.000 4.767) 7.504 11.626 ( 0.928 0.000 -12.934) 12.967 12.069 ( 1.418 0.000 -9.501) 9.606 12.075 ( 0.610 0.000 -9.598) 9.618 12.259 ( 0.145 0.000 -8.941) 8.942 14.091 ( 1.120 -0.000 15.289) 15.330 14.350 ( 0.346 -0.000 22.544) 22.547 22.079 ( -0.295 -0.000 2.372) 2.390 22.096 ( -2.830 -0.000 2.516) 3.787 22.770 ( 0.864 0.000 -3.715) 3.814 22.807 ( -4.324 0.000 -4.089) 5.951 23.910 ( 0.808 0.000 -16.044) 16.065 24.672 ( 1.371 0.000 -0.216) 1.388 24.685 ( -0.511 0.000 -0.319) 0.603 25.932 ( 3.060 -0.000 13.201) 13.551 ======================= Grid point 402 (97/102) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.000 -0.000 8.434) 8.434 1.958 ( -0.000 -0.000 8.434) 8.434 2.834 ( 0.000 0.000 -16.109) 16.109 2.834 ( 0.000 0.000 -16.109) 16.109 3.681 ( 0.000 0.000 -19.456) 19.456 4.121 ( 0.000 0.000 -7.259) 7.259 4.121 ( 0.000 0.000 -7.259) 7.259 4.141 ( -0.000 -0.000 35.939) 35.939 5.395 ( -0.000 -0.000 4.685) 4.685 5.396 ( -0.000 -0.000 0.540) 0.540 5.452 ( -0.000 -0.000 4.860) 4.860 5.452 ( -0.000 -0.000 4.860) 4.860 6.375 ( -0.000 -0.000 11.653) 11.653 6.515 ( 0.000 0.000 -18.983) 18.983 7.016 ( 0.000 0.000 -8.625) 8.625 7.345 ( 0.000 0.000 -2.013) 2.013 7.345 ( 0.000 0.000 -2.013) 2.013 8.308 ( -0.000 -0.000 7.804) 7.804 8.308 ( -0.000 -0.000 7.804) 7.804 8.498 ( -0.000 -0.000 14.285) 14.285 10.167 ( -0.000 -0.000 3.717) 3.717 10.167 ( -0.000 -0.000 3.717) 3.717 11.498 ( 0.000 0.000 -4.752) 4.752 11.935 ( 0.000 0.000 -8.388) 8.388 11.935 ( 0.000 0.000 -8.388) 8.388 12.169 ( 0.000 0.000 -2.650) 2.650 14.312 ( -0.000 -0.000 12.024) 12.024 14.650 ( -0.000 -0.000 15.150) 15.150 22.115 ( -0.000 -0.000 2.435) 2.435 22.115 ( -0.000 -0.000 2.435) 2.435 22.716 ( 0.000 0.000 -3.894) 3.894 22.716 ( 0.000 0.000 -3.894) 3.894 23.715 ( 0.000 0.000 -9.507) 9.507 24.676 ( 0.000 0.000 -0.220) 0.220 24.688 ( -0.000 -0.000 0.898) 0.898 26.127 ( -0.000 -0.000 8.977) 8.977 ======================= Grid point 478 (98/102) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 5.334 -0.000 -0.000) 5.334 2.121 ( -47.900 0.000 0.000) 47.900 2.840 ( 11.704 -0.000 -0.000) 11.704 3.085 ( -5.428 0.000 0.000) 5.428 3.663 ( 7.895 -0.000 -0.000) 7.895 4.119 ( -23.118 0.000 0.000) 23.118 4.531 ( 12.461 -0.000 -0.000) 12.461 4.645 ( 9.656 -0.000 -0.000) 9.656 4.713 ( 8.754 -0.000 -0.000) 8.754 4.837 ( -0.836 0.000 0.000) 0.836 4.917 ( -3.028 0.000 0.000) 3.028 4.925 ( -0.454 0.000 0.000) 0.454 6.953 ( 0.787 -0.000 -0.000) 0.787 7.007 ( -2.808 0.000 0.000) 2.808 7.301 ( 8.001 -0.000 -0.000) 8.001 7.456 ( 8.922 -0.000 -0.000) 8.922 7.493 ( 1.486 -0.000 -0.000) 1.486 7.535 ( 10.769 -0.000 -0.000) 10.769 7.843 ( -5.736 0.000 0.000) 5.736 7.992 ( -15.944 0.000 0.000) 15.944 9.954 ( 0.861 -0.000 -0.000) 0.861 10.123 ( -11.194 0.000 0.000) 11.194 12.246 ( 7.249 -0.000 -0.000) 7.249 12.325 ( 1.729 -0.000 -0.000) 1.729 12.556 ( 6.037 -0.000 -0.000) 6.037 12.751 ( -7.499 0.000 0.000) 7.499 13.325 ( 1.401 -0.000 -0.000) 1.401 13.380 ( -2.393 0.000 0.000) 2.393 22.022 ( -0.508 0.000 0.000) 0.508 22.083 ( -4.682 0.000 0.000) 4.682 22.848 ( 2.103 -0.000 -0.000) 2.103 23.010 ( -9.204 0.000 0.000) 9.204 24.628 ( 0.168 -0.000 -0.000) 0.168 24.683 ( -3.509 0.000 0.000) 3.509 24.925 ( 9.510 -0.000 -0.000) 9.510 25.040 ( 1.230 -0.000 -0.000) 1.230 ======================= Grid point 488 (99/102) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.325 -36.526 -0.000) 36.600 1.505 ( -36.526 2.325 0.000) 36.600 2.985 ( 2.235 1.460 0.000) 2.670 2.985 ( 1.460 2.235 0.000) 2.670 3.835 ( 4.275 -12.765 -0.000) 13.462 3.835 ( -12.765 4.275 0.000) 13.462 4.668 ( 7.470 3.064 -0.000) 8.074 4.668 ( 3.064 7.470 0.000) 8.074 4.811 ( 1.778 0.932 0.000) 2.007 4.811 ( 0.932 1.778 0.000) 2.007 4.899 ( -0.760 -0.830 0.000) 1.125 4.899 ( -0.830 -0.760 0.000) 1.125 6.973 ( -0.372 -0.839 0.000) 0.918 6.973 ( -0.839 -0.372 0.000) 0.918 7.400 ( 6.868 5.791 0.000) 8.983 7.400 ( 5.791 6.868 0.000) 8.983 7.632 ( 2.009 1.920 0.000) 2.779 7.632 ( 1.920 2.009 0.000) 2.779 7.805 ( -5.423 -6.106 0.000) 8.167 7.805 ( -6.106 -5.423 0.000) 8.167 10.003 ( 0.095 -5.437 -0.000) 5.437 10.003 ( -5.437 0.095 0.000) 5.437 12.316 ( 3.245 1.701 -0.000) 3.664 12.316 ( 1.701 3.245 0.000) 3.664 12.648 ( -0.498 -1.077 0.000) 1.186 12.648 ( -1.077 -0.498 0.000) 1.186 13.349 ( -0.021 -0.191 0.000) 0.192 13.349 ( -0.191 -0.021 0.000) 0.192 22.032 ( -0.035 -2.142 -0.000) 2.143 22.032 ( -2.142 -0.035 0.000) 2.143 22.907 ( 0.175 -4.660 -0.000) 4.664 22.907 ( -4.660 0.175 0.000) 4.664 24.643 ( -0.903 -1.104 0.000) 1.426 24.643 ( -1.104 -0.903 0.000) 1.426 25.020 ( 3.106 2.975 0.000) 4.301 25.020 ( 2.975 3.106 0.000) 4.301 ======================= Grid point 490 (100/102) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.612 -0.000 9.336) 9.695 1.581 ( -34.741 -0.000 7.494) 35.540 2.896 ( 1.822 -0.000 5.346) 5.648 3.432 ( 2.947 -0.000 35.089) 35.213 3.671 ( 3.194 0.000 -9.537) 10.058 3.790 ( -13.373 0.000 -8.374) 15.778 4.519 ( 5.169 0.000 -13.533) 14.487 4.544 ( 2.065 0.000 -12.742) 12.909 4.596 ( 0.316 0.000 -18.260) 18.263 5.001 ( 5.398 -0.000 13.696) 14.721 5.023 ( 1.388 -0.000 12.620) 12.696 5.113 ( -2.133 -0.000 13.327) 13.496 6.914 ( -0.601 0.000 -5.650) 5.682 6.970 ( -0.793 0.000 -1.728) 1.901 7.344 ( 8.938 0.000 -7.041) 11.379 7.461 ( 1.961 0.000 -4.474) 4.886 7.592 ( -5.113 0.000 -4.605) 6.881 7.728 ( 2.747 -0.000 7.884) 8.349 7.755 ( 5.417 -0.000 10.400) 11.726 7.937 ( -9.059 -0.000 11.342) 14.515 9.979 ( 0.411 -0.000 2.069) 2.109 10.022 ( -5.827 -0.000 2.070) 6.184 12.252 ( 3.567 0.000 -18.391) 18.734 12.309 ( 0.898 0.000 -4.341) 4.433 12.318 ( -0.321 0.000 -12.074) 12.079 12.648 ( -0.686 0.000 -11.403) 11.424 13.530 ( 1.644 -0.000 22.248) 22.308 13.559 ( -1.874 -0.000 19.999) 20.087 22.024 ( -0.275 -0.000 0.966) 1.005 22.040 ( -2.565 -0.000 0.976) 2.745 22.858 ( 1.133 0.000 -1.603) 1.963 22.900 ( -4.878 0.000 -1.637) 5.145 24.501 ( -0.712 0.000 -15.830) 15.846 24.673 ( -0.492 -0.000 1.273) 1.365 24.769 ( 2.738 0.000 -10.159) 10.521 25.386 ( 2.510 -0.000 21.532) 21.678 ======================= Grid point 500 (101/102) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -0.000 -0.000 14.861) 14.861 1.511 ( -0.000 -0.000 14.861) 14.861 3.140 ( -0.000 -0.000 23.737) 23.737 3.465 ( 0.000 0.000 -18.651) 18.651 3.465 ( 0.000 0.000 -18.651) 18.651 4.138 ( -0.000 -0.000 48.308) 48.308 4.297 ( 0.000 0.000 -19.850) 19.850 4.373 ( 0.000 0.000 -9.977) 9.977 4.373 ( 0.000 0.000 -9.977) 9.977 5.228 ( -0.000 -0.000 10.409) 10.409 5.228 ( -0.000 -0.000 10.409) 10.409 5.259 ( -0.000 -0.000 8.634) 8.634 6.768 ( 0.000 0.000 -12.613) 12.613 6.908 ( 0.000 0.000 -6.258) 6.258 7.308 ( 0.000 0.000 -10.213) 10.213 7.414 ( 0.000 0.000 -3.151) 3.151 7.414 ( 0.000 0.000 -3.151) 3.151 7.973 ( -0.000 -0.000 12.325) 12.325 7.973 ( -0.000 -0.000 12.325) 12.325 8.053 ( -0.000 -0.000 14.030) 14.030 10.028 ( -0.000 -0.000 3.859) 3.859 10.028 ( -0.000 -0.000 3.859) 3.859 11.897 ( 0.000 0.000 -21.463) 21.463 12.219 ( 0.000 0.000 -7.941) 7.941 12.219 ( 0.000 0.000 -7.941) 7.941 12.437 ( 0.000 0.000 -13.483) 13.483 13.834 ( -0.000 -0.000 18.202) 18.202 13.959 ( -0.000 -0.000 27.593) 27.593 22.044 ( -0.000 -0.000 1.805) 1.805 22.044 ( -0.000 -0.000 1.805) 1.805 22.830 ( 0.000 0.000 -2.981) 2.981 22.830 ( 0.000 0.000 -2.981) 2.981 24.202 ( 0.000 0.000 -20.209) 20.209 24.683 ( -0.000 -0.000 0.316) 0.316 24.700 ( 0.000 0.000 -2.465) 2.465 25.710 ( -0.000 -0.000 17.934) 17.934 ======================= Grid point 598 (102/102) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 -0.000 -0.000) 0.000 1.245 ( 0.000 -0.000 -0.000) 0.000 3.011 ( 0.000 -0.000 0.000) 0.000 3.011 ( 0.000 -0.000 0.000) 0.000 3.771 ( 0.000 -0.000 -0.000) 0.000 3.771 ( 0.000 -0.000 -0.000) 0.000 4.763 ( -0.000 0.000 0.000) 0.000 4.763 ( 0.000 -0.000 -0.000) 0.000 4.832 ( 0.000 -0.000 -0.000) 0.000 4.832 ( 0.000 -0.000 -0.000) 0.000 4.867 ( 0.000 -0.000 0.000) 0.000 4.867 ( 0.000 -0.000 0.000) 0.000 6.964 ( 0.000 -0.000 0.000) 0.000 6.964 ( 0.000 -0.000 0.000) 0.000 7.530 ( 0.000 -0.000 -0.000) 0.000 7.530 ( 0.000 -0.000 -0.000) 0.000 7.650 ( -0.000 0.000 0.000) 0.000 7.650 ( -0.000 0.000 0.000) 0.000 7.694 ( 0.000 -0.000 -0.000) 0.000 7.694 ( 0.000 -0.000 -0.000) 0.000 9.966 ( 0.000 -0.000 -0.000) 0.000 9.966 ( 0.000 -0.000 -0.000) 0.000 12.350 ( 0.000 -0.000 -0.000) 0.000 12.350 ( 0.000 -0.000 -0.000) 0.000 12.637 ( 0.000 -0.000 0.000) 0.000 12.637 ( 0.000 -0.000 0.000) 0.000 13.347 ( 0.000 -0.000 0.000) 0.000 13.347 ( 0.000 -0.000 0.000) 0.000 22.015 ( 0.000 -0.000 -0.000) 0.000 22.015 ( 0.000 -0.000 -0.000) 0.000 22.879 ( 0.000 -0.000 -0.000) 0.000 22.879 ( 0.000 -0.000 -0.000) 0.000 24.629 ( 0.000 -0.000 0.000) 0.000 24.629 ( 0.000 -0.000 0.000) 0.000 25.062 ( 0.000 -0.000 0.000) 0.000 25.062 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 8572.546 8572.546 8182.188 0.000 -0.000 -0.000 3/36000 20.0 1312.385 1312.385 1298.361 0.000 -0.000 -0.000 3/36000 30.0 454.909 454.909 448.801 0.000 -0.000 -0.000 3/36000 40.0 239.745 239.745 243.345 0.000 -0.000 -0.000 3/36000 50.0 152.039 152.039 159.729 0.000 -0.000 -0.000 3/36000 60.0 107.324 107.324 116.028 0.000 -0.000 -0.000 3/36000 70.0 81.410 81.410 89.913 0.000 -0.000 -0.000 3/36000 80.0 64.984 64.984 72.869 0.000 -0.000 -0.000 3/36000 90.0 53.844 53.844 61.020 0.000 -0.000 -0.000 3/36000 100.0 45.881 45.881 52.383 0.000 -0.000 -0.000 3/36000 110.0 39.947 39.947 45.852 0.000 -0.000 -0.000 3/36000 120.0 35.373 35.373 40.765 0.000 -0.000 -0.000 3/36000 130.0 31.749 31.749 36.705 0.000 -0.000 -0.000 3/36000 140.0 28.811 28.811 33.397 0.000 -0.000 -0.000 3/36000 150.0 26.385 26.385 30.656 0.000 -0.000 -0.000 3/36000 160.0 24.347 24.347 28.349 0.000 -0.000 -0.000 3/36000 170.0 22.612 22.612 26.382 0.000 -0.000 -0.000 3/36000 180.0 21.118 21.118 24.686 0.000 -0.000 -0.000 3/36000 190.0 19.817 19.817 23.209 0.000 -0.000 -0.000 3/36000 200.0 18.675 18.675 21.911 0.000 -0.000 -0.000 3/36000 210.0 17.663 17.663 20.760 0.000 -0.000 -0.000 3/36000 220.0 16.760 16.760 19.734 0.000 -0.000 -0.000 3/36000 230.0 15.950 15.950 18.812 0.000 -0.000 -0.000 3/36000 240.0 15.219 15.219 17.979 0.000 -0.000 -0.000 3/36000 250.0 14.555 14.555 17.223 0.000 -0.000 -0.000 3/36000 260.0 13.949 13.949 16.532 0.000 -0.000 -0.000 3/36000 270.0 13.395 13.395 15.899 0.000 -0.000 -0.000 3/36000 280.0 12.884 12.884 15.316 0.000 -0.000 -0.000 3/36000 290.0 12.414 12.414 14.777 0.000 -0.000 -0.000 3/36000 300.0 11.978 11.978 14.277 0.000 -0.000 -0.000 3/36000 310.0 11.573 11.573 13.813 0.000 -0.000 -0.000 3/36000 320.0 11.195 11.195 13.379 0.000 -0.000 -0.000 3/36000 330.0 10.843 10.843 12.973 0.000 -0.000 -0.000 3/36000 340.0 10.513 10.513 12.593 0.000 -0.000 -0.000 3/36000 350.0 10.203 10.203 12.235 0.000 -0.000 -0.000 3/36000 360.0 9.911 9.911 11.899 0.000 -0.000 -0.000 3/36000 370.0 9.637 9.637 11.581 0.000 -0.000 -0.000 3/36000 380.0 9.377 9.377 11.280 0.000 -0.000 -0.000 3/36000 390.0 9.132 9.132 10.995 0.000 -0.000 -0.000 3/36000 400.0 8.900 8.900 10.725 0.000 -0.000 -0.000 3/36000 410.0 8.679 8.679 10.468 0.000 -0.000 -0.000 3/36000 420.0 8.469 8.469 10.223 0.000 -0.000 -0.000 3/36000 430.0 8.270 8.270 9.990 0.000 -0.000 -0.000 3/36000 440.0 8.080 8.080 9.768 0.000 -0.000 -0.000 3/36000 450.0 7.899 7.899 9.556 0.000 -0.000 -0.000 3/36000 460.0 7.725 7.725 9.352 0.000 -0.000 -0.000 3/36000 470.0 7.560 7.560 9.158 0.000 -0.000 -0.000 3/36000 480.0 7.401 7.401 8.971 0.000 -0.000 -0.000 3/36000 490.0 7.249 7.249 8.793 0.000 -0.000 -0.000 3/36000 500.0 7.104 7.104 8.621 0.000 -0.000 -0.000 3/36000 510.0 6.964 6.964 8.456 0.000 -0.000 -0.000 3/36000 520.0 6.830 6.830 8.297 0.000 -0.000 -0.000 3/36000 530.0 6.700 6.700 8.144 0.000 -0.000 -0.000 3/36000 540.0 6.576 6.576 7.997 0.000 -0.000 -0.000 3/36000 550.0 6.456 6.456 7.855 0.000 -0.000 -0.000 3/36000 560.0 6.341 6.341 7.718 0.000 -0.000 -0.000 3/36000 570.0 6.230 6.230 7.585 0.000 -0.000 -0.000 3/36000 580.0 6.122 6.122 7.458 0.000 -0.000 -0.000 3/36000 590.0 6.018 6.018 7.334 0.000 -0.000 -0.000 3/36000 600.0 5.918 5.918 7.215 0.000 -0.000 -0.000 3/36000 610.0 5.821 5.821 7.099 0.000 -0.000 -0.000 3/36000 620.0 5.727 5.727 6.987 0.000 -0.000 -0.000 3/36000 630.0 5.637 5.637 6.879 0.000 -0.000 -0.000 3/36000 640.0 5.549 5.549 6.774 0.000 -0.000 -0.000 3/36000 650.0 5.463 5.463 6.672 0.000 -0.000 -0.000 3/36000 660.0 5.381 5.381 6.573 0.000 -0.000 -0.000 3/36000 670.0 5.301 5.301 6.477 0.000 -0.000 -0.000 3/36000 680.0 5.223 5.223 6.383 0.000 -0.000 -0.000 3/36000 690.0 5.147 5.147 6.293 0.000 -0.000 -0.000 3/36000 700.0 5.074 5.074 6.205 0.000 -0.000 -0.000 3/36000 710.0 5.003 5.003 6.119 0.000 -0.000 -0.000 3/36000 720.0 4.933 4.933 6.036 0.000 -0.000 -0.000 3/36000 730.0 4.866 4.866 5.955 0.000 -0.000 -0.000 3/36000 740.0 4.800 4.800 5.876 0.000 -0.000 -0.000 3/36000 750.0 4.737 4.737 5.799 0.000 -0.000 -0.000 3/36000 760.0 4.675 4.675 5.724 0.000 -0.000 -0.000 3/36000 770.0 4.614 4.614 5.651 0.000 -0.000 -0.000 3/36000 780.0 4.555 4.555 5.580 0.000 -0.000 -0.000 3/36000 790.0 4.498 4.498 5.511 0.000 -0.000 -0.000 3/36000 800.0 4.442 4.442 5.443 0.000 -0.000 -0.000 3/36000 810.0 4.387 4.387 5.377 0.000 -0.000 -0.000 3/36000 820.0 4.334 4.334 5.312 0.000 -0.000 -0.000 3/36000 830.0 4.281 4.281 5.249 0.000 -0.000 -0.000 3/36000 840.0 4.231 4.231 5.188 0.000 -0.000 -0.000 3/36000 850.0 4.181 4.181 5.128 0.000 -0.000 -0.000 3/36000 860.0 4.133 4.133 5.069 0.000 -0.000 -0.000 3/36000 870.0 4.085 4.085 5.012 0.000 -0.000 -0.000 3/36000 880.0 4.039 4.039 4.956 0.000 -0.000 -0.000 3/36000 890.0 3.994 3.994 4.901 0.000 -0.000 -0.000 3/36000 900.0 3.950 3.950 4.847 0.000 -0.000 -0.000 3/36000 910.0 3.906 3.906 4.795 0.000 -0.000 -0.000 3/36000 920.0 3.864 3.864 4.744 0.000 -0.000 -0.000 3/36000 930.0 3.823 3.823 4.693 0.000 -0.000 -0.000 3/36000 940.0 3.782 3.782 4.644 0.000 -0.000 -0.000 3/36000 950.0 3.742 3.742 4.596 0.000 -0.000 -0.000 3/36000 960.0 3.704 3.704 4.549 0.000 -0.000 -0.000 3/36000 970.0 3.665 3.665 4.503 0.000 -0.000 -0.000 3/36000 980.0 3.628 3.628 4.457 0.000 -0.000 -0.000 3/36000 990.0 3.592 3.592 4.413 0.000 -0.000 -0.000 3/36000 1000.0 3.556 3.556 4.369 0.000 -0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:17:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|