----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:10:49]------------------------- 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 -3.591002995000000 3.591002995000000 3.184061100000000 b 3.591002995000000 -3.591002995000000 3.184061100000000 c 3.591002995000000 3.591002995000000 -3.184061100000000 Atomic positions (fractional): *1 O 0.60219938300998 0.92217277755319 0.68002660545679 15.999 2 O 0.67217277755319 0.85219938300998 0.18002660545679 15.999 3 O 0.67217277755319 0.49214617209639 0.81997339454321 15.999 4 O 0.24214617209640 0.92217277755319 0.31997339454321 15.999 5 O 0.07782722244681 0.39780061699002 0.31997339454321 15.999 6 O 0.14780061699002 0.32782722244681 0.81997339454321 15.999 7 O 0.50785382790361 0.32782722244681 0.18002660545679 15.999 8 O 0.07782722244681 0.75785382790360 0.68002660545679 15.999 *9 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 10 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 *11 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 12 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.182005990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.182005990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.368122200000000 Atomic positions (fractional): *1 O 0.00000000000000 0.68002660545679 0.92217277755319 15.999 > 1 2 O 0.18002660545679 0.00000000000000 0.67217277755319 15.999 > 2 3 O 0.31997339454321 0.50000000000000 0.17217277755319 15.999 > 3 4 O 0.00000000000000 0.31997339454321 0.92217277755319 15.999 > 4 5 O 0.81997339454321 0.50000000000000 0.57782722244681 15.999 > 5 6 O 0.50000000000000 0.31997339454321 0.82782722244681 15.999 > 6 7 O 0.00000000000000 0.18002660545679 0.32782722244681 15.999 > 7 8 O 0.18002660545679 0.50000000000000 0.57782722244681 15.999 > 8 9 O 0.50000000000000 0.18002660545679 0.42217277755319 15.999 > 1 10 O 0.68002660545679 0.50000000000000 0.17217277755319 15.999 > 2 11 O 0.81997339454321 0.00000000000000 0.67217277755319 15.999 > 3 12 O 0.50000000000000 0.81997339454321 0.42217277755319 15.999 > 4 13 O 0.31997339454321 0.00000000000000 0.07782722244681 15.999 > 5 14 O 0.00000000000000 0.81997339454321 0.32782722244681 15.999 > 6 15 O 0.50000000000000 0.68002660545679 0.82782722244681 15.999 > 7 16 O 0.68002660545679 0.00000000000000 0.07782722244681 15.999 > 8 *17 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 9 18 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 10 19 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 20 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 10 *21 Sm 0.50000000000000 0.00000000000000 0.75000000000000 150.360 > 11 22 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 12 23 Sm 0.00000000000000 0.50000000000000 0.25000000000000 150.360 > 11 24 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.182005990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.182005990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.736244400000000 Atomic positions (fractional): *1 O 0.00000000000000 0.68002660545679 0.46108638877659 15.999 > 1 2 O 0.00000000000000 0.68002660545679 0.96108638877659 15.999 > 1 3 O 0.18002660545679 0.00000000000000 0.33608638877659 15.999 > 2 4 O 0.18002660545679 0.00000000000000 0.83608638877659 15.999 > 2 5 O 0.31997339454321 0.50000000000000 0.08608638877659 15.999 > 3 6 O 0.31997339454321 0.50000000000000 0.58608638877659 15.999 > 3 7 O 0.00000000000000 0.31997339454321 0.46108638877659 15.999 > 4 8 O 0.00000000000000 0.31997339454321 0.96108638877659 15.999 > 4 9 O 0.81997339454321 0.50000000000000 0.28891361122341 15.999 > 5 10 O 0.81997339454321 0.50000000000000 0.78891361122341 15.999 > 5 11 O 0.50000000000000 0.31997339454321 0.41391361122341 15.999 > 6 12 O 0.50000000000000 0.31997339454321 0.91391361122341 15.999 > 6 13 O 0.00000000000000 0.18002660545679 0.16391361122341 15.999 > 7 14 O 0.00000000000000 0.18002660545679 0.66391361122341 15.999 > 7 15 O 0.18002660545679 0.50000000000000 0.28891361122341 15.999 > 8 16 O 0.18002660545679 0.50000000000000 0.78891361122341 15.999 > 8 17 O 0.50000000000000 0.18002660545679 0.21108638877659 15.999 > 1 18 O 0.50000000000000 0.18002660545679 0.71108638877659 15.999 > 1 19 O 0.68002660545679 0.50000000000000 0.08608638877659 15.999 > 2 20 O 0.68002660545679 0.50000000000000 0.58608638877659 15.999 > 2 21 O 0.81997339454321 0.00000000000000 0.33608638877659 15.999 > 3 22 O 0.81997339454321 0.00000000000000 0.83608638877659 15.999 > 3 23 O 0.50000000000000 0.81997339454321 0.21108638877659 15.999 > 4 24 O 0.50000000000000 0.81997339454321 0.71108638877659 15.999 > 4 25 O 0.31997339454321 0.00000000000000 0.03891361122341 15.999 > 5 26 O 0.31997339454321 0.00000000000000 0.53891361122341 15.999 > 5 27 O 0.00000000000000 0.81997339454321 0.16391361122341 15.999 > 6 28 O 0.00000000000000 0.81997339454321 0.66391361122341 15.999 > 6 29 O 0.50000000000000 0.68002660545679 0.41391361122341 15.999 > 7 30 O 0.50000000000000 0.68002660545679 0.91391361122341 15.999 > 7 31 O 0.68002660545679 0.00000000000000 0.03891361122341 15.999 > 8 32 O 0.68002660545679 0.00000000000000 0.53891361122341 15.999 > 8 *33 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 34 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 35 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 10 36 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 10 37 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 38 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 39 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 10 40 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 10 *41 Sm 0.50000000000000 0.00000000000000 0.37500000000000 150.360 > 11 42 Sm 0.50000000000000 0.00000000000000 0.87500000000000 150.360 > 11 43 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 12 44 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 12 45 Sm 0.00000000000000 0.50000000000000 0.12500000000000 150.360 > 11 46 Sm 0.00000000000000 0.50000000000000 0.62500000000000 150.360 > 11 47 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 12 48 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4595911 0.0000000 0.0000000 0.0000000 3.4595911 0.0000000 0.0000000 0.0000000 3.9255015 -------------------------- Born effective charges -------------------------- 1 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 -0.5240011 0.0000000 -0.4359451 -2.1537168 2 O -2.6410330 0.0000000 -0.5240011 0.0000000 -1.0356832 0.0000000 -0.4359451 0.0000000 -2.1537168 3 O -2.6410330 0.0000000 0.5240011 0.0000000 -1.0356832 0.0000000 0.4359451 0.0000000 -2.1537168 4 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 0.5240011 0.0000000 0.4359451 -2.1537168 5 O -2.6410330 0.0000000 -0.5240011 0.0000000 -1.0356832 0.0000000 -0.4359451 0.0000000 -2.1537168 6 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 -0.5240011 0.0000000 -0.4359451 -2.1537168 7 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 0.5240011 0.0000000 0.4359451 -2.1537168 8 O -2.6410330 0.0000000 0.5240011 0.0000000 -1.0356832 0.0000000 0.4359451 0.0000000 -2.1537168 9 As 3.3067617 0.0000000 0.0000000 0.0000000 3.3067617 0.0000000 0.0000000 0.0000000 4.3285367 10 As 3.3067617 0.0000000 0.0000000 0.0000000 3.3067617 0.0000000 0.0000000 0.0000000 4.3285367 11 Sm 4.0466708 0.0000000 0.0000000 0.0000000 4.0466708 0.0000000 0.0000000 0.0000000 4.2863304 12 Sm 4.0466708 0.0000000 0.0000000 0.0000000 4.0466708 0.0000000 0.0000000 0.0000000 4.2863304 ---------------------------------------------------------------------------- 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: 0.077 Solver_block: 160 / 160 - Time: 0.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.119 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:10:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:53]------------------------- 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 -3.591002995000000 3.591002995000000 3.184061100000000 b 3.591002995000000 -3.591002995000000 3.184061100000000 c 3.591002995000000 3.591002995000000 -3.184061100000000 Atomic positions (fractional): 1 O 0.60219938300998 0.92217277755319 0.68002660545679 15.999 2 O 0.67217277755319 0.85219938300998 0.18002660545679 15.999 3 O 0.67217277755319 0.49214617209639 0.81997339454321 15.999 4 O 0.24214617209640 0.92217277755319 0.31997339454321 15.999 5 O 0.07782722244681 0.39780061699002 0.31997339454321 15.999 6 O 0.14780061699002 0.32782722244681 0.81997339454321 15.999 7 O 0.50785382790361 0.32782722244681 0.18002660545679 15.999 8 O 0.07782722244681 0.75785382790360 0.68002660545679 15.999 9 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 10 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 11 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 12 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.182005990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.182005990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.736244400000000 Atomic positions (fractional): 1 O 0.00000000000000 0.68002660545679 0.46108638877659 15.999 > 1 2 O 0.00000000000000 0.68002660545679 0.96108638877659 15.999 > 1 3 O 0.18002660545679 0.00000000000000 0.33608638877659 15.999 > 3 4 O 0.18002660545679 0.00000000000000 0.83608638877659 15.999 > 3 5 O 0.31997339454321 0.50000000000000 0.08608638877659 15.999 > 5 6 O 0.31997339454321 0.50000000000000 0.58608638877659 15.999 > 5 7 O 0.00000000000000 0.31997339454321 0.46108638877659 15.999 > 7 8 O 0.00000000000000 0.31997339454321 0.96108638877659 15.999 > 7 9 O 0.81997339454321 0.50000000000000 0.28891361122341 15.999 > 9 10 O 0.81997339454321 0.50000000000000 0.78891361122341 15.999 > 9 11 O 0.50000000000000 0.31997339454321 0.41391361122341 15.999 > 11 12 O 0.50000000000000 0.31997339454321 0.91391361122341 15.999 > 11 13 O 0.00000000000000 0.18002660545679 0.16391361122341 15.999 > 13 14 O 0.00000000000000 0.18002660545679 0.66391361122341 15.999 > 13 15 O 0.18002660545679 0.50000000000000 0.28891361122341 15.999 > 15 16 O 0.18002660545679 0.50000000000000 0.78891361122341 15.999 > 15 17 O 0.50000000000000 0.18002660545679 0.21108638877659 15.999 > 1 18 O 0.50000000000000 0.18002660545679 0.71108638877659 15.999 > 1 19 O 0.68002660545679 0.50000000000000 0.08608638877659 15.999 > 3 20 O 0.68002660545679 0.50000000000000 0.58608638877659 15.999 > 3 21 O 0.81997339454321 0.00000000000000 0.33608638877659 15.999 > 5 22 O 0.81997339454321 0.00000000000000 0.83608638877659 15.999 > 5 23 O 0.50000000000000 0.81997339454321 0.21108638877659 15.999 > 7 24 O 0.50000000000000 0.81997339454321 0.71108638877659 15.999 > 7 25 O 0.31997339454321 0.00000000000000 0.03891361122341 15.999 > 9 26 O 0.31997339454321 0.00000000000000 0.53891361122341 15.999 > 9 27 O 0.00000000000000 0.81997339454321 0.16391361122341 15.999 > 11 28 O 0.00000000000000 0.81997339454321 0.66391361122341 15.999 > 11 29 O 0.50000000000000 0.68002660545679 0.41391361122341 15.999 > 13 30 O 0.50000000000000 0.68002660545679 0.91391361122341 15.999 > 13 31 O 0.68002660545679 0.00000000000000 0.03891361122341 15.999 > 15 32 O 0.68002660545679 0.00000000000000 0.53891361122341 15.999 > 15 33 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 33 34 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 33 35 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 35 36 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 35 37 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 33 38 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 33 39 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 35 40 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 35 41 Sm 0.50000000000000 0.00000000000000 0.37500000000000 150.360 > 41 42 Sm 0.50000000000000 0.00000000000000 0.87500000000000 150.360 > 41 43 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 43 44 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 43 45 Sm 0.00000000000000 0.50000000000000 0.12500000000000 150.360 > 41 46 Sm 0.00000000000000 0.50000000000000 0.62500000000000 150.360 > 41 47 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 43 48 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4595911 0.0000000 0.0000000 0.0000000 3.4595911 0.0000000 0.0000000 0.0000000 3.9255015 -------------------------- Born effective charges -------------------------- 1 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 -0.5240011 0.0000000 -0.4359451 -2.1537168 2 O -2.6410330 0.0000000 -0.5240011 0.0000000 -1.0356832 0.0000000 -0.4359451 0.0000000 -2.1537168 3 O -2.6410330 0.0000000 0.5240011 0.0000000 -1.0356832 0.0000000 0.4359451 0.0000000 -2.1537168 4 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 0.5240011 0.0000000 0.4359451 -2.1537168 5 O -2.6410330 0.0000000 -0.5240011 0.0000000 -1.0356832 0.0000000 -0.4359451 0.0000000 -2.1537168 6 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 -0.5240011 0.0000000 -0.4359451 -2.1537168 7 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 0.5240011 0.0000000 0.4359451 -2.1537168 8 O -2.6410330 0.0000000 0.5240011 0.0000000 -1.0356832 0.0000000 0.4359451 0.0000000 -2.1537168 9 As 3.3067617 0.0000000 0.0000000 0.0000000 3.3067617 0.0000000 0.0000000 0.0000000 4.3285367 10 As 3.3067617 0.0000000 0.0000000 0.0000000 3.3067617 0.0000000 0.0000000 0.0000000 4.3285367 11 Sm 4.0466708 0.0000000 0.0000000 0.0000000 4.0466708 0.0000000 0.0000000 0.0000000 4.2863304 12 Sm 4.0466708 0.0000000 0.0000000 0.0000000 4.0466708 0.0000000 0.0000000 0.0000000 4.2863304 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:10:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:10:56]------------------------- 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 -3.591002995000000 3.591002995000000 3.184061100000000 b 3.591002995000000 -3.591002995000000 3.184061100000000 c 3.591002995000000 3.591002995000000 -3.184061100000000 Atomic positions (fractional): 1 O 0.60219938300998 0.92217277755319 0.68002660545679 15.999 2 O 0.67217277755319 0.85219938300998 0.18002660545679 15.999 3 O 0.67217277755319 0.49214617209639 0.81997339454321 15.999 4 O 0.24214617209640 0.92217277755319 0.31997339454321 15.999 5 O 0.07782722244681 0.39780061699002 0.31997339454321 15.999 6 O 0.14780061699002 0.32782722244681 0.81997339454321 15.999 7 O 0.50785382790361 0.32782722244681 0.18002660545679 15.999 8 O 0.07782722244681 0.75785382790360 0.68002660545679 15.999 9 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 10 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 11 Sm 0.75000000000000 0.25000000000000 0.50000000000000 150.360 12 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.182005990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.182005990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.736244400000000 Atomic positions (fractional): 1 O 0.00000000000000 0.68002660545679 0.46108638877659 15.999 > 1 2 O 0.00000000000000 0.68002660545679 0.96108638877659 15.999 > 1 3 O 0.18002660545679 0.00000000000000 0.33608638877659 15.999 > 3 4 O 0.18002660545679 0.00000000000000 0.83608638877659 15.999 > 3 5 O 0.31997339454321 0.50000000000000 0.08608638877659 15.999 > 5 6 O 0.31997339454321 0.50000000000000 0.58608638877659 15.999 > 5 7 O 0.00000000000000 0.31997339454321 0.46108638877659 15.999 > 7 8 O 0.00000000000000 0.31997339454321 0.96108638877659 15.999 > 7 9 O 0.81997339454321 0.50000000000000 0.28891361122341 15.999 > 9 10 O 0.81997339454321 0.50000000000000 0.78891361122341 15.999 > 9 11 O 0.50000000000000 0.31997339454321 0.41391361122341 15.999 > 11 12 O 0.50000000000000 0.31997339454321 0.91391361122341 15.999 > 11 13 O 0.00000000000000 0.18002660545679 0.16391361122341 15.999 > 13 14 O 0.00000000000000 0.18002660545679 0.66391361122341 15.999 > 13 15 O 0.18002660545679 0.50000000000000 0.28891361122341 15.999 > 15 16 O 0.18002660545679 0.50000000000000 0.78891361122341 15.999 > 15 17 O 0.50000000000000 0.18002660545679 0.21108638877659 15.999 > 1 18 O 0.50000000000000 0.18002660545679 0.71108638877659 15.999 > 1 19 O 0.68002660545679 0.50000000000000 0.08608638877659 15.999 > 3 20 O 0.68002660545679 0.50000000000000 0.58608638877659 15.999 > 3 21 O 0.81997339454321 0.00000000000000 0.33608638877659 15.999 > 5 22 O 0.81997339454321 0.00000000000000 0.83608638877659 15.999 > 5 23 O 0.50000000000000 0.81997339454321 0.21108638877659 15.999 > 7 24 O 0.50000000000000 0.81997339454321 0.71108638877659 15.999 > 7 25 O 0.31997339454321 0.00000000000000 0.03891361122341 15.999 > 9 26 O 0.31997339454321 0.00000000000000 0.53891361122341 15.999 > 9 27 O 0.00000000000000 0.81997339454321 0.16391361122341 15.999 > 11 28 O 0.00000000000000 0.81997339454321 0.66391361122341 15.999 > 11 29 O 0.50000000000000 0.68002660545679 0.41391361122341 15.999 > 13 30 O 0.50000000000000 0.68002660545679 0.91391361122341 15.999 > 13 31 O 0.68002660545679 0.00000000000000 0.03891361122341 15.999 > 15 32 O 0.68002660545679 0.00000000000000 0.53891361122341 15.999 > 15 33 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 33 34 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 33 35 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 35 36 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 35 37 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 33 38 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 33 39 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 35 40 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 35 41 Sm 0.50000000000000 0.00000000000000 0.37500000000000 150.360 > 41 42 Sm 0.50000000000000 0.00000000000000 0.87500000000000 150.360 > 41 43 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 43 44 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 43 45 Sm 0.00000000000000 0.50000000000000 0.12500000000000 150.360 > 41 46 Sm 0.00000000000000 0.50000000000000 0.62500000000000 150.360 > 41 47 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 43 48 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4595911 0.0000000 0.0000000 0.0000000 3.4595911 0.0000000 0.0000000 0.0000000 3.9255015 -------------------------- Born effective charges -------------------------- 1 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 -0.5240011 0.0000000 -0.4359451 -2.1537168 2 O -2.6410330 0.0000000 -0.5240011 0.0000000 -1.0356832 0.0000000 -0.4359451 0.0000000 -2.1537168 3 O -2.6410330 0.0000000 0.5240011 0.0000000 -1.0356832 0.0000000 0.4359451 0.0000000 -2.1537168 4 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 0.5240011 0.0000000 0.4359451 -2.1537168 5 O -2.6410330 0.0000000 -0.5240011 0.0000000 -1.0356832 0.0000000 -0.4359451 0.0000000 -2.1537168 6 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 -0.5240011 0.0000000 -0.4359451 -2.1537168 7 O -1.0356832 0.0000000 0.0000000 0.0000000 -2.6410330 0.5240011 0.0000000 0.4359451 -2.1537168 8 O -2.6410330 0.0000000 0.5240011 0.0000000 -1.0356832 0.0000000 0.4359451 0.0000000 -2.1537168 9 As 3.3067617 0.0000000 0.0000000 0.0000000 3.3067617 0.0000000 0.0000000 0.0000000 4.3285367 10 As 3.3067617 0.0000000 0.0000000 0.0000000 3.3067617 0.0000000 0.0000000 0.0000000 4.3285367 11 Sm 4.0466708 0.0000000 0.0000000 0.0000000 4.0466708 0.0000000 0.0000000 0.0000000 4.2863304 12 Sm 4.0466708 0.0000000 0.0000000 0.0000000 4.0466708 0.0000000 0.0000000 0.0000000 4.2863304 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.76, 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 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 2.549 ( -0.000 0.000 -0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.127 ( -0.000 0.000 -0.000) 0.000 3.953 ( 0.000 -0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.726 ( -0.000 0.000 -0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 -0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 -0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 -0.000) 0.000 8.524 ( 0.000 -0.000 0.000) 0.000 8.524 ( -0.000 0.000 -0.000) 0.000 9.453 ( 0.000 0.000 -0.000) 0.000 9.761 ( 0.000 -0.000 -0.000) 0.000 9.761 ( 0.000 0.000 -0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 -0.000) 0.000 12.257 ( -0.000 -0.000 0.000) 0.000 12.687 ( 0.000 -0.000 -0.000) 0.000 14.000 ( -0.000 0.000 -0.000) 0.000 14.003 ( -0.000 0.000 0.000) 0.000 22.249 ( -0.000 0.000 -0.000) 0.000 22.249 ( 0.000 -0.000 0.000) 0.000 22.960 ( -0.000 0.000 0.000) 0.000 22.960 ( 0.000 0.000 0.000) 0.000 23.878 ( -0.000 0.000 0.000) 0.000 24.476 ( -0.000 0.000 0.000) 0.000 24.909 ( 0.000 0.000 0.000) 0.000 25.237 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 5.804 25.876) 26.519 0.817 ( 0.000 35.535 20.449) 40.999 1.319 ( 0.000 25.977 59.595) 65.011 2.639 ( 0.000 6.104 5.293) 8.080 3.170 ( 0.000 5.925 0.138) 5.926 3.194 ( 0.000 9.176 0.115) 9.177 4.036 ( 0.000 -3.137 12.267) 12.662 4.552 ( -0.000 0.177 -17.863) 17.864 4.605 ( -0.000 4.366 -15.934) 16.521 5.353 ( 0.000 -1.194 11.487) 11.549 5.421 ( 0.000 -0.039 2.596) 2.596 5.567 ( -0.000 19.439 -15.952) 25.146 6.529 ( 0.000 3.330 1.781) 3.776 6.852 ( -0.000 0.577 -8.867) 8.886 7.113 ( -0.000 -4.207 2.952) 5.139 7.149 ( 0.000 0.661 2.976) 3.049 8.263 ( 0.000 -48.588 37.084) 61.123 8.512 ( -0.000 -6.851 2.783) 7.395 8.529 ( 0.000 -1.558 1.983) 2.522 9.397 ( -0.000 -4.170 -3.322) 5.331 9.800 ( 0.000 0.717 4.281) 4.340 10.432 ( -0.000 47.150 -40.129) 61.915 11.626 ( 0.000 3.869 0.169) 3.873 12.194 ( -0.000 -5.502 -2.921) 6.230 12.231 ( -0.000 0.719 -3.918) 3.983 13.558 ( -0.000 -1.913 -26.586) 26.655 14.093 ( 0.000 -62.789 59.248) 86.330 14.406 ( 0.000 -2.080 25.164) 25.250 22.257 ( 0.000 -0.273 1.222) 1.252 22.839 ( -0.000 36.332 -33.944) 49.722 22.957 ( -0.000 0.489 -0.849) 0.980 22.967 ( -0.000 14.838 -12.545) 19.431 24.411 ( -0.000 0.282 -7.521) 7.526 24.942 ( 0.000 -0.270 3.464) 3.474 25.206 ( -0.000 0.566 -4.270) 4.307 26.131 ( 0.000 -29.843 28.111) 40.998 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 5.789 24.995) 25.657 1.627 ( 0.000 33.485 21.194) 39.629 2.570 ( 0.000 23.924 54.367) 59.398 2.840 ( 0.000 7.586 5.923) 9.624 3.294 ( 0.000 11.476 0.398) 11.483 3.374 ( 0.000 16.037 0.224) 16.038 4.142 ( -0.000 -5.578 3.413) 6.539 4.262 ( -0.000 -0.474 -17.251) 17.257 4.520 ( 0.000 6.527 1.901) 6.798 5.447 ( 0.000 -1.362 4.317) 4.527 5.508 ( -0.000 -4.632 -5.705) 7.348 5.514 ( 0.000 -0.604 7.230) 7.255 6.630 ( 0.000 5.490 2.784) 6.155 6.676 ( -0.000 2.246 -15.185) 15.351 7.110 ( 0.000 -5.005 5.007) 7.079 7.239 ( 0.000 2.457 5.953) 6.440 8.099 ( -0.000 -22.470 4.724) 22.961 8.438 ( -0.000 -9.974 2.971) 10.407 8.535 ( 0.000 -3.295 2.746) 4.289 9.239 ( -0.000 -7.478 -5.999) 9.587 9.909 ( 0.000 1.061 7.708) 7.781 10.492 ( 0.000 25.099 -15.982) 29.755 11.682 ( 0.000 5.176 -2.668) 5.823 12.031 ( -0.000 -8.959 -3.433) 9.594 12.159 ( -0.000 1.304 -6.783) 6.908 13.133 ( -0.000 -3.067 -22.516) 22.724 14.170 ( 0.000 -26.035 29.014) 38.982 14.722 ( 0.000 -3.508 19.784) 20.093 22.277 ( 0.000 -0.522 1.880) 1.951 22.813 ( -0.000 7.052 -7.448) 10.257 22.949 ( -0.000 0.882 -1.293) 1.565 22.972 ( -0.000 17.044 -15.236) 22.861 24.280 ( -0.000 0.890 -9.426) 9.468 24.978 ( 0.000 -1.929 2.239) 2.955 25.134 ( -0.000 0.842 -5.479) 5.544 26.164 ( 0.000 -16.300 16.764) 23.382 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 5.468 23.315) 23.948 2.398 ( 0.000 28.944 20.856) 35.675 2.953 ( -0.000 4.009 -3.635) 5.412 3.505 ( 0.000 13.946 3.263) 14.322 3.526 ( 0.000 22.497 9.726) 24.509 3.718 ( 0.000 10.852 25.109) 27.354 4.039 ( -0.000 -0.292 -9.449) 9.453 4.089 ( 0.000 3.679 5.084) 6.275 4.788 ( 0.000 3.220 18.536) 18.813 5.261 ( -0.000 -16.810 -6.005) 17.851 5.492 ( 0.000 -1.907 4.274) 4.680 5.579 ( 0.000 -0.635 2.347) 2.431 6.464 ( -0.000 3.841 -16.379) 16.824 6.751 ( 0.000 5.247 2.567) 5.841 7.121 ( 0.000 -3.292 2.491) 4.128 7.406 ( 0.000 5.766 7.861) 9.749 7.795 ( -0.000 -13.652 -9.990) 16.916 8.336 ( -0.000 -11.274 3.186) 11.715 8.507 ( -0.000 -5.868 1.027) 5.958 9.024 ( -0.000 -8.026 -6.415) 10.275 10.057 ( 0.000 0.866 8.828) 8.871 10.626 ( 0.000 17.964 -5.703) 18.847 11.591 ( -0.000 -6.443 -8.748) 10.865 11.941 ( 0.000 0.329 1.124) 1.171 12.063 ( -0.000 1.505 -7.539) 7.687 12.779 ( -0.000 -3.743 -16.273) 16.698 14.269 ( 0.000 -12.231 17.143) 21.059 14.926 ( 0.000 -4.015 13.067) 13.670 22.298 ( 0.000 -0.621 1.739) 1.846 22.808 ( 0.000 -0.966 1.414) 1.712 22.943 ( -0.000 0.995 -1.171) 1.537 22.960 ( -0.000 14.941 -14.680) 20.946 24.157 ( -0.000 1.278 -7.776) 7.880 24.948 ( -0.000 -3.235 -0.872) 3.350 25.077 ( -0.000 0.623 -3.110) 3.172 26.198 ( 0.000 -10.084 10.827) 14.796 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 4.127 18.723) 19.172 2.846 ( -0.000 0.445 -11.788) 11.796 3.052 ( 0.000 20.885 16.773) 26.786 3.742 ( 0.000 9.587 4.610) 10.637 3.751 ( -0.000 -4.172 -0.759) 4.240 3.887 ( 0.000 21.907 -5.272) 22.532 3.951 ( -0.000 0.048 -3.037) 3.038 4.679 ( 0.000 5.073 28.691) 29.136 4.897 ( -0.000 -18.047 -0.176) 18.047 5.118 ( 0.000 5.635 12.144) 13.388 5.526 ( 0.000 -1.877 3.382) 3.868 5.584 ( -0.000 -0.121 -0.616) 0.628 6.316 ( -0.000 3.800 -6.749) 7.745 6.843 ( 0.000 2.993 1.544) 3.368 6.989 ( -0.000 -6.671 -13.926) 15.441 7.524 ( -0.000 -4.072 -4.405) 5.999 7.631 ( 0.000 8.112 7.398) 10.979 8.239 ( -0.000 -8.197 2.272) 8.506 8.383 ( -0.000 -8.863 -3.289) 9.454 8.860 ( -0.000 -4.088 -2.909) 5.017 10.189 ( 0.000 0.407 6.168) 6.182 10.793 ( 0.000 13.642 -1.723) 13.750 11.327 ( -0.000 -11.576 -6.113) 13.091 11.977 ( -0.000 1.052 -5.205) 5.310 12.006 ( 0.000 4.143 1.443) 4.387 12.525 ( -0.000 -3.581 -9.189) 9.862 14.355 ( 0.000 -4.772 8.451) 9.705 15.028 ( 0.000 -2.818 6.253) 6.859 22.312 ( 0.000 -0.432 0.993) 1.083 22.831 ( 0.000 -4.428 6.194) 7.614 22.927 ( -0.000 11.266 -12.686) 16.966 22.940 ( -0.000 0.670 -0.652) 0.935 24.078 ( -0.000 0.990 -4.226) 4.340 24.892 ( -0.000 -2.113 -0.909) 2.300 25.043 ( -0.000 -0.155 -1.672) 1.679 26.221 ( 0.000 -4.951 5.343) 7.284 ======================= Grid point 5 (6/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.616 ( -0.000 -0.000 -0.000) 0.000 3.891 ( -0.000 -0.000 -0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 -0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 -0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.903 ( -0.000 -0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 0.000) 0.000 14.390 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 0.000) 0.000 22.317 ( 0.000 0.000 0.000) 0.000 22.866 ( 0.000 -0.000 0.000) 0.000 22.889 ( -0.000 0.000 -0.000) 0.000 22.940 ( 0.000 0.000 0.000) 0.000 24.052 ( 0.000 0.000 0.000) 0.000 24.870 ( 0.000 0.000 0.000) 0.000 25.027 ( 0.000 0.000 0.000) 0.000 26.228 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 14.996 14.996 22.635) 31.018 1.212 ( 20.042 20.042 20.809) 35.162 2.395 ( 9.461 9.461 62.356) 63.775 2.791 ( 4.805 4.805 8.855) 11.162 3.217 ( 6.560 6.560 -1.457) 9.391 3.251 ( 8.670 8.670 0.859) 12.291 4.149 ( -5.860 -5.860 -1.783) 8.477 4.320 ( 2.618 2.618 -18.082) 18.457 4.440 ( 4.179 4.179 7.123) 9.255 5.446 ( -2.886 -2.886 5.836) 7.122 5.473 ( -2.117 -2.117 4.659) 5.538 5.585 ( 3.243 3.243 0.269) 4.594 6.591 ( 2.953 2.953 3.149) 5.230 6.660 ( 1.177 1.177 -15.709) 15.797 7.185 ( -1.195 -1.195 5.098) 5.371 7.187 ( -1.278 -1.278 5.238) 5.541 8.295 ( -17.062 -17.062 -1.477) 24.174 8.526 ( -3.908 -3.908 2.969) 6.274 8.541 ( -3.357 -3.357 2.602) 5.414 9.292 ( -3.944 -3.944 -6.338) 8.443 9.920 ( 1.904 1.904 7.707) 8.164 10.258 ( 18.021 18.021 -11.438) 27.934 11.646 ( 2.933 2.933 -0.973) 4.261 12.119 ( -2.010 -2.010 -5.718) 6.385 12.123 ( -1.209 -1.209 -6.599) 6.817 13.154 ( -1.396 -1.396 -22.934) 23.018 14.416 ( -22.621 -22.621 23.354) 39.609 14.738 ( -2.308 -2.308 19.515) 19.786 22.272 ( -0.857 -0.857 1.756) 2.134 22.666 ( 19.760 19.760 -15.089) 31.758 22.870 ( -3.554 -3.554 -2.327) 5.539 22.997 ( 4.238 4.238 -0.906) 6.062 24.275 ( 0.942 0.942 -9.858) 9.948 24.995 ( -0.043 -0.043 2.646) 2.647 25.123 ( 0.610 0.610 -6.310) 6.368 26.294 ( -12.966 -12.966 13.834) 22.970 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 25.032 3.947 22.445) 33.853 1.975 ( 3.437 33.800 20.070) 39.460 2.941 ( 3.828 2.987 2.807) 5.609 3.300 ( 4.972 13.277 -0.070) 14.178 3.349 ( 5.239 12.622 13.707) 19.355 3.592 ( 8.432 13.652 37.083) 40.405 3.987 ( -5.613 -2.577 -5.988) 8.602 4.122 ( 3.671 1.032 -7.542) 8.451 4.745 ( 1.453 3.562 18.456) 18.853 5.413 ( -5.236 -10.196 -1.267) 11.531 5.511 ( -0.827 -1.588 4.346) 4.701 5.586 ( -0.603 -1.136 -0.346) 1.332 6.427 ( 1.882 3.214 -16.503) 16.919 6.696 ( 1.738 3.966 3.547) 5.598 7.202 ( 2.507 -5.111 4.185) 7.065 7.312 ( -3.599 4.028 6.101) 8.149 7.945 ( -4.933 -11.372 -15.225) 19.633 8.469 ( -2.145 -9.341 2.446) 9.891 8.539 ( -4.755 -3.702 2.002) 6.350 9.101 ( -3.508 -6.356 -8.115) 10.888 10.072 ( 3.179 0.907 8.730) 9.335 10.402 ( 5.264 16.477 -2.819) 17.525 11.639 ( 1.677 0.607 -5.085) 5.389 11.974 ( 0.388 -3.491 -3.923) 5.266 12.030 ( -2.028 1.090 -6.247) 6.657 12.814 ( -1.018 -2.265 -16.849) 17.031 14.436 ( -7.257 -15.827 14.785) 22.842 14.950 ( -3.322 -3.290 12.289) 13.148 22.289 ( -1.893 -0.595 1.514) 2.496 22.730 ( 10.316 16.819 -11.128) 22.653 22.791 ( -8.143 -4.307 0.100) 9.212 23.044 ( 8.942 3.900 -0.259) 9.759 24.148 ( 1.525 1.722 -8.151) 8.470 24.998 ( 1.359 -2.344 -1.218) 2.971 25.051 ( -0.912 1.927 -3.808) 4.364 26.300 ( -8.264 -12.261 9.841) 17.762 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 22.441 3.531 19.999) 30.266 2.713 ( 1.085 25.663 16.970) 30.785 2.912 ( 8.584 2.458 -6.790) 11.217 3.481 ( -1.733 22.036 -5.268) 22.723 3.654 ( 7.065 13.123 5.715) 15.962 3.841 ( -3.112 -5.908 -1.085) 6.765 3.978 ( 2.105 -0.741 -1.151) 2.511 4.579 ( 3.987 10.742 40.883) 42.459 5.018 ( 2.073 4.900 3.367) 6.296 5.168 ( -3.708 -16.639 -0.489) 17.054 5.548 ( -0.915 -1.947 2.970) 3.667 5.559 ( -3.927 -0.842 -1.001) 4.139 6.282 ( 2.000 3.206 -5.745) 6.877 6.792 ( -0.814 2.555 1.607) 3.126 7.110 ( 3.912 -6.241 -9.173) 11.764 7.465 ( -5.989 4.963 1.975) 8.025 7.623 ( 2.386 -2.325 -5.585) 6.503 8.355 ( -2.624 -10.056 0.568) 10.408 8.471 ( -3.535 -7.098 -1.866) 8.146 8.897 ( -3.266 -4.759 -6.494) 8.688 10.202 ( 2.494 0.386 6.049) 6.554 10.593 ( 1.469 14.396 -0.778) 14.492 11.482 ( 0.954 -8.206 -6.081) 10.258 11.928 ( -2.524 1.424 -2.297) 3.698 11.987 ( 2.301 2.596 -0.968) 3.602 12.568 ( -0.522 -2.785 -9.932) 10.329 14.445 ( -2.070 -8.945 7.959) 12.151 15.036 ( -4.079 -2.966 4.599) 6.825 22.300 ( -2.191 -0.389 0.751) 2.349 22.708 ( -6.667 5.006 -7.929) 11.505 22.823 ( 2.517 3.690 1.458) 4.698 23.097 ( 12.876 2.768 1.069) 13.214 24.075 ( 2.504 2.138 -4.443) 5.530 24.930 ( 0.941 -2.311 -2.040) 3.223 25.030 ( -0.923 0.976 -2.214) 2.589 26.268 ( -7.357 -9.345 5.375) 13.052 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 22.929 0.421 4.957) 23.463 2.763 ( 5.575 -0.741 -0.727) 5.671 3.297 ( 2.246 14.778 11.740) 19.007 3.689 ( -2.219 -4.915 -7.120) 8.932 3.778 ( -2.344 21.045 2.362) 21.306 3.885 ( 3.146 8.393 3.060) 9.471 3.956 ( 3.975 -0.682 0.576) 4.074 4.760 ( -0.220 -16.972 -5.113) 17.727 5.058 ( 1.353 3.078 -6.613) 7.419 5.268 ( 1.586 2.254 16.088) 16.323 5.521 ( -3.933 0.546 -2.717) 4.811 5.564 ( -1.959 -2.357 2.303) 3.834 6.369 ( 1.463 2.023 8.480) 8.839 6.679 ( -4.672 -3.420 -11.338) 12.731 6.930 ( 6.568 -0.159 -0.548) 6.593 7.483 ( -0.800 0.953 -0.189) 1.259 7.721 ( -0.905 5.184 4.306) 6.800 8.225 ( -3.684 -4.821 -2.539) 6.577 8.297 ( -0.914 -7.947 -4.841) 9.351 8.789 ( -3.590 -0.458 -2.954) 4.672 10.257 ( 1.912 0.024 0.280) 1.932 10.770 ( -0.234 12.984 -1.177) 13.040 11.289 ( 1.476 -10.587 -0.220) 10.692 11.925 ( -2.104 0.190 1.230) 2.444 12.049 ( 2.181 3.071 1.805) 4.177 12.433 ( -0.015 -1.825 -2.377) 2.997 14.423 ( -0.063 -4.320 0.514) 4.351 15.025 ( -4.673 -0.674 -2.321) 5.261 22.301 ( -2.049 -0.087 -0.249) 2.066 22.664 ( -9.915 4.811 -6.235) 12.663 22.898 ( 2.930 0.887 3.954) 5.001 23.153 ( 15.026 0.015 3.550) 15.440 24.066 ( 3.476 1.658 -0.328) 3.865 24.882 ( 0.392 -1.396 -0.686) 1.603 25.014 ( -0.895 0.975 -1.226) 1.804 26.211 ( -7.483 -5.330 0.406) 9.196 ======================= Grid point 16 (11/102) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 22.637 -4.304 -15.730) 27.900 2.895 ( 5.789 -0.919 13.512) 14.728 3.330 ( 3.989 -14.605 -11.498) 19.011 3.625 ( -2.409 9.043 2.144) 9.601 3.868 ( 1.039 -6.803 -0.942) 6.946 3.984 ( 3.444 -0.751 6.101) 7.046 4.107 ( 0.458 1.134 0.988) 1.572 4.601 ( -0.892 4.815 2.995) 5.740 4.808 ( 1.526 -0.802 -24.859) 24.918 5.211 ( -0.073 -7.163 -17.052) 18.496 5.487 ( -2.744 1.673 -3.592) 4.820 5.564 ( -2.904 -1.096 0.688) 3.179 6.387 ( 2.079 -4.175 7.457) 8.795 6.818 ( -3.924 3.039 10.483) 11.598 6.965 ( 6.227 2.874 6.112) 9.187 7.487 ( 0.001 0.592 -0.242) 0.640 7.715 ( -2.724 -5.324 -5.617) 8.205 8.166 ( -0.161 0.906 -4.516) 4.608 8.236 ( -3.599 7.980 1.446) 8.873 8.781 ( -3.743 3.440 -0.586) 5.117 10.213 ( 2.542 -0.380 -5.231) 5.828 10.880 ( -2.118 2.328 -0.758) 3.237 11.247 ( 3.113 -0.397 7.337) 7.980 11.973 ( -2.402 -1.381 5.527) 6.183 12.075 ( 2.364 -2.356 0.353) 3.356 12.476 ( -0.307 2.825 7.257) 7.793 14.329 ( 0.275 -0.950 -7.829) 7.891 14.955 ( -4.754 2.653 -8.260) 9.893 22.290 ( -1.975 0.275 -1.166) 2.310 22.647 ( -10.367 5.103 -4.703) 12.475 22.969 ( 4.378 -1.523 5.640) 7.301 23.208 ( 14.322 -4.862 7.662) 16.954 24.106 ( 3.395 0.415 3.488) 4.885 24.874 ( 0.437 0.855 0.230) 0.988 25.025 ( -0.865 1.435 0.567) 1.769 26.134 ( -7.845 -0.657 -4.963) 9.306 ======================= Grid point 17 (12/102) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 25.170 -6.199 -19.300) 32.318 2.763 ( 2.424 -20.687 -19.581) 28.588 3.083 ( 8.722 -6.602 6.778) 12.869 3.698 ( 0.829 -9.578 -0.770) 9.645 3.772 ( 0.506 0.210 0.700) 0.889 3.900 ( 1.699 -23.522 -8.997) 25.241 4.061 ( 2.434 -4.623 5.355) 7.481 4.210 ( 1.988 -9.105 -20.449) 22.472 4.814 ( 0.636 0.513 -21.657) 21.672 4.966 ( -4.509 19.581 7.360) 21.399 5.453 ( -1.653 2.276 -4.204) 5.058 5.554 ( -2.595 0.713 -1.616) 3.139 6.533 ( 2.015 -4.134 15.680) 16.341 6.832 ( 1.027 -5.039 0.043) 5.143 7.112 ( 2.588 1.310 -0.169) 2.906 7.469 ( -3.758 -6.359 -7.350) 10.421 7.613 ( -0.352 9.836 2.544) 10.166 8.175 ( -1.396 9.541 -4.298) 10.557 8.379 ( -4.214 7.912 -0.036) 8.964 8.883 ( -3.654 8.348 3.353) 9.709 10.098 ( 3.850 -0.958 -7.692) 8.655 10.833 ( -1.119 -10.414 4.777) 11.511 11.479 ( 2.552 9.898 10.323) 14.527 11.993 ( 1.082 -5.293 -0.149) 5.405 12.072 ( -1.726 -1.795 6.351) 6.821 12.712 ( -0.937 4.859 15.047) 15.840 14.152 ( -0.722 3.139 -16.675) 16.983 14.834 ( -4.250 4.835 -14.118) 15.516 22.273 ( -1.964 0.534 -1.693) 2.648 22.659 ( -9.482 5.203 -2.799) 11.172 23.029 ( 8.133 -2.212 5.130) 9.867 23.260 ( 10.398 -11.769 13.905) 20.976 24.186 ( 2.387 -0.519 6.834) 7.257 24.911 ( 1.220 3.274 0.433) 3.521 25.066 ( -0.849 1.298 2.081) 2.596 26.035 ( -8.317 4.407 -10.976) 14.459 ======================= Grid point 18 (13/102) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 30.803 -7.314 -18.152) 36.494 2.082 ( 6.437 -25.629 -23.985) 35.687 2.963 ( 1.674 -22.151 -18.599) 28.972 3.055 ( 7.931 -21.562 -22.241) 31.977 3.521 ( 6.092 -13.957 0.168) 15.230 3.651 ( 5.272 -16.007 -0.739) 16.870 3.999 ( -7.487 3.825 -3.601) 9.146 4.310 ( 5.433 1.059 15.620) 16.572 4.575 ( -0.285 -1.188 -5.224) 5.365 5.288 ( -10.063 9.956 2.082) 14.308 5.422 ( -1.180 2.259 -3.331) 4.194 5.557 ( 3.746 3.980 1.215) 5.598 6.718 ( 1.207 -3.216 11.471) 11.975 6.742 ( 2.693 -6.604 1.464) 7.281 7.069 ( 1.873 2.197 -5.265) 6.005 7.262 ( -2.849 -4.255 -7.414) 9.010 7.789 ( -4.038 16.179 -8.523) 18.727 8.270 ( -1.740 11.927 -3.418) 12.529 8.443 ( -4.914 4.824 -2.369) 7.282 9.089 ( -3.806 10.115 4.919) 11.875 9.962 ( 4.780 -1.477 -6.912) 8.533 10.803 ( 1.298 -15.594 15.955) 22.347 11.759 ( 3.042 2.755 9.857) 10.677 11.911 ( 0.889 2.543 -4.166) 4.961 12.153 ( -3.876 -1.711 6.312) 7.602 13.068 ( -1.285 4.908 21.328) 21.923 13.890 ( -3.084 8.484 -27.386) 28.836 14.637 ( -3.492 5.008 -19.963) 20.876 22.254 ( -1.772 0.596 -1.684) 2.517 22.706 ( -8.448 5.333 -0.653) 10.012 23.063 ( 11.122 -1.915 2.652) 11.593 23.336 ( 7.504 -19.024 24.195) 31.680 24.302 ( 1.687 -0.489 8.436) 8.617 24.952 ( 1.600 3.220 -1.800) 4.021 25.129 ( -0.679 1.110 3.811) 4.027 25.908 ( -9.251 9.794 -18.108) 22.570 ======================= Grid point 19 (14/102) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 38.054 -9.051 -11.432) 40.752 1.332 ( 14.234 -25.124 -25.119) 38.273 1.888 ( 5.542 -43.669 -32.825) 54.910 2.803 ( 6.214 -10.879 -3.722) 13.070 3.347 ( 8.050 -10.754 0.021) 13.433 3.412 ( 5.585 -15.626 -0.285) 16.596 3.941 ( -4.784 5.418 -10.243) 12.536 4.580 ( 2.547 -0.119 15.896) 16.099 4.637 ( -0.446 -0.438 10.510) 10.528 5.265 ( -7.681 2.857 -10.452) 13.282 5.406 ( -1.027 1.248 -2.186) 2.719 5.785 ( 4.425 -0.303 23.139) 23.560 6.633 ( 4.840 -6.683 0.314) 8.258 6.868 ( 0.480 -1.318 8.163) 8.283 7.049 ( 1.045 5.123 -3.481) 6.281 7.135 ( -3.768 -1.592 -3.715) 5.526 7.707 ( -8.044 18.069 -35.216) 40.390 8.383 ( -2.002 9.903 -2.032) 10.306 8.461 ( -5.055 3.121 -1.886) 6.233 9.283 ( -4.074 7.955 3.097) 9.459 9.852 ( 4.502 -1.755 -3.986) 6.264 10.953 ( 5.669 -17.767 35.177) 39.814 11.744 ( 4.606 -8.476 1.693) 9.794 12.033 ( -2.682 14.709 -4.551) 15.629 12.212 ( -4.461 -1.066 3.421) 5.722 13.455 ( -2.915 11.886 -24.853) 27.703 13.532 ( -4.821 3.546 5.706) 8.269 14.346 ( -2.657 3.746 -24.690) 25.113 22.240 ( -1.374 0.559 -1.084) 1.837 22.784 ( -7.567 5.658 0.694) 9.474 23.057 ( 8.799 -2.720 0.817) 9.246 23.543 ( 11.430 -22.672 41.873) 48.970 24.423 ( 1.874 0.466 6.364) 6.651 24.939 ( 0.950 1.014 -3.137) 3.431 25.197 ( -0.954 1.755 1.189) 2.325 25.719 ( -11.037 13.451 -27.962) 32.934 ======================= Grid point 20 (15/102) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 22.637 -22.637 0.000) 32.014 0.805 ( 28.721 -28.721 0.000) 40.618 0.901 ( 32.053 -32.053 0.000) 45.329 2.643 ( 6.587 -6.587 0.000) 9.316 3.228 ( 7.098 -7.098 0.000) 10.038 3.236 ( 7.604 -7.604 0.000) 10.753 3.909 ( -3.191 3.191 -0.000) 4.512 4.732 ( 0.276 -0.276 0.000) 0.390 4.734 ( 0.383 -0.383 0.000) 0.541 5.187 ( -3.350 3.350 -0.000) 4.737 5.399 ( -0.399 0.399 -0.000) 0.564 6.257 ( -7.010 7.010 -0.000) 9.913 6.611 ( 5.968 -5.968 0.000) 8.440 6.924 ( 0.305 -0.305 0.000) 0.432 7.081 ( -2.073 2.073 -0.000) 2.931 7.094 ( -1.890 1.890 -0.000) 2.673 7.201 ( 1.061 -1.061 0.000) 1.500 8.469 ( -3.875 3.875 -0.000) 5.480 8.484 ( -3.253 3.253 -0.000) 4.601 9.394 ( -4.198 4.198 -0.000) 5.938 9.793 ( 2.265 -2.265 0.000) 3.204 11.393 ( 0.806 -0.806 0.000) 1.140 11.694 ( 6.572 -6.572 0.000) 9.294 12.041 ( -12.019 12.019 -0.000) 16.997 12.238 ( -1.348 1.348 -0.000) 1.907 12.860 ( 9.012 -9.012 0.000) 12.745 13.961 ( -2.805 2.805 -0.000) 3.967 13.986 ( -1.193 1.193 -0.000) 1.687 22.239 ( -0.694 0.694 -0.000) 0.982 22.872 ( -5.677 5.677 -0.000) 8.029 23.016 ( 3.976 -3.976 0.000) 5.623 23.961 ( 5.281 -5.281 0.000) 7.468 24.486 ( 0.704 -0.704 0.000) 0.996 24.911 ( 0.161 -0.161 0.000) 0.228 25.184 ( -3.846 3.846 -0.000) 5.439 25.447 ( -1.555 1.555 -0.000) 2.200 ======================= Grid point 23 (16/102) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 14.644 14.644 20.975) 29.476 2.395 ( 20.001 20.001 18.305) 33.692 3.000 ( 5.131 5.131 -4.442) 8.508 3.267 ( 9.932 9.932 -11.144) 17.930 3.612 ( 10.393 10.393 7.696) 16.591 3.863 ( -5.026 -5.026 -0.326) 7.115 4.001 ( 1.014 1.014 0.577) 1.546 4.528 ( 8.564 8.564 43.840) 45.482 4.991 ( 4.456 4.456 3.783) 7.350 5.275 ( -10.336 -10.336 -2.171) 14.778 5.522 ( -3.032 -3.032 -2.911) 5.183 5.559 ( -1.807 -1.807 3.919) 4.679 6.275 ( 2.880 2.880 -5.203) 6.607 6.766 ( 0.954 0.954 1.553) 2.057 7.229 ( -1.034 -1.034 -10.310) 10.413 7.339 ( -0.366 -0.366 5.163) 5.189 7.661 ( -0.893 -0.893 -8.793) 8.883 8.416 ( -7.842 -7.842 -1.400) 11.178 8.490 ( -4.769 -4.769 0.656) 6.777 8.907 ( -4.851 -4.851 -8.278) 10.751 10.227 ( 1.959 1.959 5.457) 6.120 10.489 ( 8.174 8.174 0.602) 11.575 11.551 ( -1.809 -1.809 -6.029) 6.550 11.896 ( -1.509 -1.509 -2.649) 3.402 11.985 ( 2.419 2.419 -0.775) 3.508 12.584 ( -1.506 -1.506 -10.087) 10.310 14.502 ( -7.004 -7.004 7.380) 12.352 15.022 ( -4.345 -4.345 3.983) 7.323 22.283 ( -1.422 -1.422 0.887) 2.198 22.625 ( 0.032 0.032 -8.118) 8.118 22.816 ( 4.526 4.526 1.888) 6.674 23.171 ( 7.636 7.636 1.528) 10.906 24.080 ( 3.230 3.230 -4.564) 6.457 24.966 ( 0.280 0.280 -3.636) 3.658 25.004 ( -0.565 -0.565 -1.365) 1.581 26.281 ( -10.844 -10.844 5.389) 16.254 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 31.764 1.800 13.403) 34.522 2.876 ( 9.398 0.650 -1.911) 9.612 3.097 ( 6.499 24.104 13.932) 28.589 3.320 ( -1.886 24.048 -10.952) 26.491 3.782 ( -3.609 -6.679 -0.603) 7.616 3.857 ( 4.531 5.535 7.545) 10.397 4.026 ( 3.148 -0.388 2.749) 4.197 4.890 ( 2.105 0.469 -17.285) 17.419 5.105 ( -0.306 -8.833 2.130) 9.091 5.235 ( 0.680 5.337 20.498) 21.193 5.449 ( -5.237 -1.380 -1.120) 5.530 5.575 ( -2.051 -2.659 1.834) 3.827 6.364 ( 1.577 1.791 11.071) 11.325 6.664 ( -4.006 -3.399 -13.075) 14.091 7.028 ( 5.898 0.424 -4.811) 7.624 7.428 ( -1.900 2.521 2.847) 4.251 7.670 ( 2.226 3.316 3.505) 5.314 8.229 ( -8.936 -8.932 -6.298) 14.117 8.395 ( -1.869 -6.799 -3.023) 7.672 8.741 ( -4.816 -2.062 -5.862) 7.861 10.290 ( 2.848 0.751 0.306) 2.962 10.617 ( 3.324 10.216 -0.942) 10.785 11.423 ( -0.790 -6.562 -1.580) 6.796 11.889 ( -2.740 -0.646 3.142) 4.218 12.040 ( 3.573 3.896 1.819) 5.591 12.456 ( -0.655 -1.683 -3.377) 3.830 14.485 ( -1.733 -5.071 0.979) 5.447 14.966 ( -6.112 -2.946 -3.994) 7.873 22.277 ( -1.815 -0.839 0.319) 2.025 22.516 ( -4.814 0.959 -6.274) 7.966 22.923 ( 5.155 3.994 3.902) 7.600 23.302 ( 10.328 4.717 4.107) 12.074 24.092 ( 5.817 4.421 -0.989) 7.373 24.916 ( 1.050 -1.672 -1.373) 2.405 24.978 ( -1.803 0.961 -1.904) 2.793 26.182 ( -11.477 -10.070 0.911) 15.296 ======================= Grid point 25 (18/102) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 32.765 -4.719 -13.155) 35.621 3.022 ( 10.681 0.065 15.451) 18.784 3.437 ( -2.633 12.982 -1.368) 13.317 3.543 ( 4.572 -4.375 -3.958) 7.464 3.800 ( -1.773 23.598 2.839) 23.834 3.969 ( -0.494 -2.797 6.618) 7.202 4.084 ( 7.136 0.251 4.185) 8.276 4.634 ( -0.590 -1.854 -11.079) 11.249 4.881 ( 0.442 -9.381 -11.586) 14.914 5.283 ( -1.493 -2.321 -17.175) 17.395 5.412 ( -5.088 -1.274 -4.777) 7.094 5.546 ( -3.417 -2.420 -0.972) 4.299 6.481 ( 3.394 -3.575 8.636) 9.944 6.702 ( -2.833 5.763 14.869) 16.197 7.031 ( 6.106 1.148 1.437) 6.377 7.486 ( 0.634 1.431 0.619) 1.684 7.727 ( -2.034 -3.658 -1.554) 4.464 8.059 ( -10.044 1.615 -4.067) 10.956 8.229 ( 2.313 -4.669 -5.993) 7.941 8.668 ( -6.040 2.240 -3.692) 7.425 10.267 ( 4.571 0.070 -3.574) 5.803 10.741 ( -0.431 10.829 -2.268) 11.073 11.358 ( 1.635 -6.710 6.127) 9.233 11.954 ( -3.467 -1.881 6.696) 7.771 12.126 ( 3.588 1.243 2.990) 4.834 12.445 ( -0.804 0.512 4.108) 4.217 14.381 ( 1.117 -4.191 -6.420) 7.748 14.836 ( -7.625 1.043 -10.227) 12.799 22.265 ( -1.604 -0.666 -0.602) 1.839 22.461 ( -7.442 2.959 -4.134) 9.013 23.045 ( 6.503 2.277 5.939) 9.097 23.429 ( 11.538 0.022 7.776) 13.914 24.156 ( 7.577 3.784 1.431) 8.590 24.882 ( 0.699 -1.020 -0.167) 1.248 24.981 ( -1.929 2.031 -0.397) 2.829 26.037 ( -12.866 -7.044 -4.001) 15.204 ======================= Grid point 26 (19/102) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 33.993 -6.834 -14.166) 37.455 3.053 ( 7.304 -12.696 -11.610) 18.691 3.339 ( 10.629 -4.460 3.461) 12.035 3.620 ( -1.829 6.028 2.322) 6.713 3.887 ( 0.593 -5.428 1.541) 5.674 4.132 ( 2.149 -1.059 3.133) 3.944 4.194 ( 5.600 -2.676 9.009) 10.940 4.389 ( 2.839 -11.083 -26.810) 29.149 4.658 ( -6.096 7.541 4.868) 10.851 4.814 ( 0.070 -0.460 -27.542) 27.546 5.370 ( -5.300 3.061 -3.951) 7.285 5.491 ( -5.697 -0.476 -2.652) 6.302 6.633 ( 4.055 -4.078 14.576) 15.669 6.904 ( 0.899 -2.090 4.455) 5.003 7.122 ( 3.229 3.886 3.095) 5.925 7.471 ( -1.228 -2.727 -2.277) 3.758 7.558 ( -2.767 -2.217 -7.464) 8.263 8.045 ( -5.616 3.511 -5.267) 8.463 8.205 ( -1.867 7.728 -0.491) 7.966 8.699 ( -6.599 7.430 -0.346) 9.943 10.188 ( 7.095 -0.890 -5.503) 9.023 10.832 ( -3.465 5.113 -0.145) 6.178 11.453 ( 3.781 0.267 11.361) 11.977 12.034 ( -4.726 -3.197 7.812) 9.674 12.134 ( 4.508 -4.926 1.554) 6.856 12.621 ( -2.214 4.928 12.922) 14.006 14.162 ( 1.450 -3.409 -14.499) 14.965 14.682 ( -7.363 4.941 -14.969) 17.398 22.243 ( -1.684 -0.279 -1.252) 2.118 22.465 ( -8.121 4.337 -2.087) 9.440 23.170 ( 9.907 1.033 6.776) 12.047 23.540 ( 10.543 -6.553 12.153) 17.372 24.237 ( 6.071 1.741 4.126) 7.544 24.893 ( 1.633 2.177 0.368) 2.746 25.019 ( -1.948 2.569 1.013) 3.379 25.862 ( -14.074 -2.772 -9.612) 17.267 ======================= Grid point 27 (20/102) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 36.108 -8.993 -11.423) 38.925 2.526 ( 13.809 -17.932 -22.969) 32.246 3.274 ( 9.677 -13.958 0.238) 16.986 3.547 ( 5.123 -30.095 -26.017) 40.111 3.708 ( -6.209 4.984 -2.472) 8.337 3.841 ( 9.702 -11.082 0.588) 14.741 4.049 ( 3.694 -15.104 -1.467) 15.618 4.345 ( 2.846 2.359 13.836) 14.321 4.544 ( 0.540 5.212 -11.094) 12.269 4.961 ( -11.451 14.594 4.273) 19.036 5.353 ( -3.466 3.303 -3.886) 6.167 5.488 ( -4.260 5.186 0.339) 6.719 6.789 ( 2.858 -3.193 11.262) 12.050 6.881 ( 3.548 -6.198 2.197) 7.472 7.099 ( 2.503 -1.569 -5.008) 5.814 7.295 ( -2.451 -5.823 -8.346) 10.468 7.556 ( -2.967 9.879 -7.182) 12.569 8.072 ( -4.089 10.389 -3.930) 11.837 8.284 ( -6.110 5.513 -1.804) 8.425 8.861 ( -6.911 11.450 3.028) 13.713 10.079 ( 8.423 -2.086 -5.366) 10.203 10.915 ( -2.887 -1.090 8.804) 9.330 11.666 ( 2.020 7.592 6.124) 9.961 12.061 ( 6.662 -9.544 3.201) 12.072 12.104 ( -6.778 -2.802 6.049) 9.507 12.961 ( -2.915 6.325 19.800) 20.989 13.840 ( 0.787 -2.186 -21.214) 21.341 14.491 ( -5.993 6.209 -19.678) 21.487 22.222 ( -1.652 0.184 -1.218) 2.061 22.511 ( -7.994 5.280 -0.636) 9.601 23.265 ( 14.393 -0.641 3.982) 14.947 23.654 ( 6.878 -12.002 20.529) 24.755 24.339 ( 3.632 0.616 6.532) 7.499 24.934 ( 2.881 3.956 -1.467) 5.109 25.082 ( -2.015 2.893 1.943) 4.026 25.657 ( -14.486 1.834 -15.658) 21.410 ======================= Grid point 28 (21/102) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 29.251 -15.100 -6.828) 33.619 1.927 ( 31.044 -14.876 -19.849) 39.736 2.588 ( 6.014 -43.626 -20.488) 48.571 3.100 ( 10.964 -13.904 -2.233) 17.847 3.660 ( 10.437 -11.100 1.061) 15.273 3.724 ( 3.997 -5.892 -2.140) 7.435 3.800 ( -0.317 -6.818 -6.385) 9.347 4.587 ( -0.725 4.733 5.495) 7.288 4.610 ( 0.671 1.852 13.253) 13.399 5.066 ( -11.600 6.349 -7.659) 15.282 5.352 ( -2.776 3.008 -1.937) 4.528 5.706 ( -4.023 10.005 12.531) 16.532 6.821 ( 6.682 -7.129 3.856) 10.505 6.904 ( 1.263 -2.138 6.718) 7.162 7.019 ( 1.740 1.771 -4.080) 4.776 7.114 ( -2.853 -3.476 -5.465) 7.077 7.464 ( -3.702 7.633 -21.170) 22.807 8.185 ( -4.453 11.775 -2.045) 12.754 8.318 ( -7.299 3.994 -1.678) 8.488 9.069 ( -7.525 10.901 2.550) 13.489 9.971 ( 7.477 -3.366 -3.338) 8.853 11.124 ( -0.925 -2.430 21.898) 22.051 11.755 ( -3.745 10.049 -12.423) 16.411 12.014 ( 9.494 -10.562 8.850) 16.734 12.146 ( -6.566 -1.183 3.112) 7.362 13.379 ( 0.768 5.389 9.289) 10.767 13.464 ( -1.855 -3.106 -8.076) 8.850 14.230 ( -4.633 5.361 -23.733) 24.768 22.211 ( -1.360 0.539 -0.792) 1.664 22.588 ( -7.771 6.242 0.158) 9.969 23.262 ( 12.794 -4.698 0.768) 13.650 23.894 ( 6.689 -11.533 30.815) 33.575 24.447 ( 3.443 1.521 4.915) 6.191 24.941 ( 2.289 2.079 -2.793) 4.167 25.117 ( -5.282 3.586 -6.382) 9.027 25.445 ( -10.821 4.710 -14.849) 18.967 ======================= Grid point 29 (22/102) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 21.279 -21.279 0.000) 30.093 1.592 ( 27.595 -27.595 0.000) 39.026 1.776 ( 30.626 -30.626 0.000) 43.311 2.899 ( 11.429 -11.429 0.000) 16.163 3.506 ( 12.505 -12.505 0.000) 17.685 3.524 ( 12.454 -12.454 0.000) 17.612 3.778 ( -6.111 6.111 -0.000) 8.642 4.728 ( -0.834 0.834 -0.000) 1.179 4.730 ( -1.127 1.127 -0.000) 1.594 5.051 ( -6.450 6.450 -0.000) 9.122 5.370 ( -1.842 1.842 -0.000) 2.605 6.019 ( -10.137 10.137 -0.000) 14.336 6.799 ( 7.474 -7.474 0.000) 10.570 6.939 ( 0.824 -0.824 0.000) 1.165 7.031 ( -2.238 2.238 -0.000) 3.165 7.032 ( -1.134 1.134 -0.000) 1.604 7.222 ( 0.460 -0.460 0.000) 0.650 8.311 ( -7.341 7.341 -0.000) 10.382 8.361 ( -5.206 5.206 -0.000) 7.362 9.223 ( -7.945 7.945 -0.000) 11.236 9.888 ( 4.593 -4.593 0.000) 6.496 11.445 ( 2.929 -2.929 0.000) 4.142 11.674 ( -13.891 13.891 -0.000) 19.645 11.936 ( 10.520 -10.520 0.000) 14.877 12.183 ( -2.590 2.590 -0.000) 3.663 13.108 ( 8.418 -8.418 0.000) 11.905 13.843 ( -5.744 5.744 -0.000) 8.123 13.937 ( -2.273 2.273 -0.000) 3.214 22.215 ( -0.956 0.956 -0.000) 1.352 22.685 ( -7.224 7.224 -0.000) 10.217 23.179 ( 7.594 -7.594 0.000) 10.740 24.133 ( 6.533 -6.533 0.000) 9.239 24.512 ( 1.028 -1.028 0.000) 1.454 24.921 ( 0.612 -0.612 0.000) 0.866 25.026 ( -7.431 7.431 -0.000) 10.509 25.386 ( -2.797 2.797 -0.000) 3.956 ======================= Grid point 34 (23/102) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 7.296 7.296 -5.831) 11.852 3.109 ( 12.416 12.416 -12.975) 21.833 3.202 ( 13.713 13.713 13.343) 23.540 3.478 ( 12.327 12.327 16.872) 24.260 3.679 ( -2.935 -2.935 -6.436) 7.658 3.989 ( -2.864 -2.864 7.549) 8.567 4.147 ( 4.125 4.125 4.941) 7.646 4.621 ( 2.390 2.390 -18.759) 19.061 4.992 ( -8.337 -8.337 -5.117) 12.853 5.244 ( -0.846 -0.846 -10.425) 10.494 5.408 ( -3.063 -3.063 -11.799) 12.569 5.536 ( -3.606 -3.606 -1.869) 5.431 6.563 ( 0.823 0.823 8.543) 8.622 6.608 ( 1.094 1.094 15.656) 15.733 7.073 ( 3.702 3.702 0.090) 5.237 7.470 ( 1.067 1.067 2.355) 2.797 7.762 ( 1.532 1.532 3.873) 4.438 7.953 ( -9.841 -9.841 -10.464) 17.412 8.298 ( -2.217 -2.217 -5.796) 6.590 8.594 ( -2.650 -2.650 -5.571) 6.715 10.310 ( 2.965 2.965 -2.289) 4.777 10.647 ( 5.730 5.730 -3.351) 8.769 11.422 ( -2.820 -2.820 5.200) 6.554 11.940 ( -3.084 -3.084 7.509) 8.684 12.141 ( 3.713 3.713 4.505) 6.919 12.437 ( -1.006 -1.006 2.333) 2.732 14.432 ( -1.369 -1.369 -5.081) 5.438 14.761 ( -4.637 -4.637 -11.704) 13.416 22.263 ( -1.106 -1.106 0.308) 1.595 22.381 ( -1.975 -1.975 -4.616) 5.395 23.075 ( 5.237 5.237 6.076) 9.580 23.511 ( 5.707 5.707 8.223) 11.522 24.188 ( 8.239 8.239 -0.091) 11.653 24.917 ( -0.226 -0.226 -0.024) 0.320 24.928 ( -0.708 -0.708 -1.043) 1.446 25.993 ( -12.356 -12.356 -3.370) 17.796 ======================= Grid point 35 (24/102) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 29.058 -7.766 -9.553) 31.559 3.225 ( -7.248 15.706 -7.306) 18.778 3.357 ( 15.675 -7.138 -3.716) 17.620 3.662 ( 3.972 13.682 2.580) 14.479 3.854 ( 5.614 0.769 5.543) 7.927 4.082 ( -2.184 6.508 8.977) 11.301 4.264 ( 4.253 -1.111 8.284) 9.378 4.416 ( -1.291 3.835 -12.895) 13.515 4.732 ( -3.929 -16.439 -6.140) 17.983 4.849 ( 0.423 -2.418 -31.359) 31.455 5.237 ( -7.282 1.270 -4.739) 8.781 5.428 ( -6.195 -3.157 -5.228) 8.699 6.753 ( 5.540 -2.970 13.456) 14.852 6.879 ( -1.745 4.271 10.711) 11.662 7.120 ( 3.791 3.043 0.451) 4.882 7.506 ( 0.598 1.384 -0.988) 1.803 7.602 ( -2.293 -12.510 -8.776) 15.452 7.860 ( -11.380 3.676 -2.118) 12.145 8.192 ( 4.969 0.565 -3.943) 6.368 8.519 ( -6.217 3.565 -3.859) 8.140 10.303 ( 7.953 1.061 -2.479) 8.398 10.682 ( -0.723 8.403 -4.015) 9.341 11.515 ( 0.871 -2.411 10.849) 11.148 12.008 ( -5.614 -4.222 6.943) 9.877 12.262 ( 5.892 -1.172 6.979) 9.209 12.524 ( -3.355 2.276 9.378) 10.216 14.262 ( 3.093 -4.728 -12.099) 13.353 14.513 ( -7.940 2.303 -16.367) 18.337 22.244 ( -0.143 -1.735 -0.480) 1.806 22.327 ( -4.881 1.878 -2.083) 5.629 23.257 ( 8.093 4.754 8.175) 12.447 23.709 ( 6.060 -0.342 11.696) 13.177 24.295 ( 9.988 7.056 -0.335) 12.234 24.900 ( 1.273 -0.562 0.582) 1.508 24.950 ( -2.573 2.191 0.739) 3.460 25.745 ( -14.943 -10.250 -7.833) 19.741 ======================= Grid point 36 (25/102) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 27.496 -11.521 -8.417) 30.977 2.958 ( 19.301 -8.712 -18.898) 28.383 3.411 ( -3.921 8.717 -2.820) 9.966 3.708 ( 8.884 -14.601 0.006) 17.091 3.903 ( 1.808 0.493 -2.515) 3.136 4.059 ( 3.321 -9.277 -15.986) 18.778 4.250 ( 7.140 -7.099 4.358) 10.971 4.443 ( 4.947 -5.369 9.949) 12.340 4.459 ( -2.626 4.059 -11.851) 12.799 4.609 ( -10.472 9.027 2.341) 14.023 5.224 ( -6.646 5.330 -3.758) 9.311 5.325 ( -9.257 2.393 -4.709) 10.658 6.884 ( 4.209 -3.074 8.822) 10.246 6.988 ( 2.368 -2.194 3.008) 4.413 7.153 ( 1.536 -0.287 -2.533) 2.976 7.332 ( -3.062 -4.825 -7.836) 9.699 7.466 ( 0.956 -0.279 -5.211) 5.305 7.860 ( -9.761 6.525 -4.176) 12.462 8.186 ( 2.030 2.064 -1.256) 3.155 8.594 ( -8.410 10.683 0.388) 13.602 10.251 ( 11.444 -2.291 -3.059) 12.066 10.778 ( -5.106 9.956 0.601) 11.205 11.659 ( 2.067 -0.878 8.413) 8.707 12.031 ( -8.594 -3.712 3.281) 9.920 12.318 ( 9.495 -9.011 10.357) 16.692 12.809 ( -5.419 7.129 17.489) 19.648 13.938 ( 4.019 -6.120 -18.029) 19.459 14.306 ( -7.467 6.527 -19.085) 21.508 22.212 ( -0.311 -1.055 -0.708) 1.308 22.351 ( -5.707 3.770 -0.460) 6.855 23.450 ( 13.513 3.143 8.069) 16.050 23.861 ( 4.622 -6.062 14.330) 16.231 24.381 ( 6.541 3.645 2.405) 7.865 24.916 ( 0.923 2.925 -1.567) 3.444 25.006 ( -2.041 2.724 1.702) 3.806 25.473 ( -15.528 -6.049 -11.850) 20.448 ======================= Grid point 37 (26/102) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 18.452 -17.773 -8.707) 27.059 2.574 ( 36.023 -8.294 -11.952) 38.849 3.217 ( 6.695 -28.313 -14.844) 32.662 3.473 ( 12.500 -15.117 -2.131) 19.731 3.546 ( -7.607 -0.229 -3.939) 8.569 4.016 ( 11.074 -6.020 0.304) 12.609 4.140 ( 9.403 -17.503 2.016) 19.971 4.449 ( 0.502 12.600 -0.714) 12.630 4.575 ( -2.326 1.629 9.804) 10.207 4.776 ( -14.907 7.343 -2.766) 16.846 5.239 ( -5.495 5.070 -2.628) 7.925 5.438 ( -10.137 13.109 4.239) 17.104 6.953 ( 2.875 -2.038 4.642) 5.828 6.987 ( 3.385 -4.532 4.270) 7.088 7.044 ( 0.847 -2.984 -4.151) 5.182 7.175 ( 1.967 -4.374 -5.936) 7.631 7.360 ( -1.016 2.392 -11.030) 11.332 7.935 ( -8.693 10.771 -2.164) 14.009 8.192 ( -2.533 2.144 -1.285) 3.559 8.783 ( -9.652 12.416 1.663) 15.814 10.154 ( 10.364 -5.012 -2.387) 11.757 10.990 ( -6.896 11.473 7.430) 15.310 11.684 ( 0.607 -2.433 -3.282) 4.130 12.044 ( -7.667 0.016 2.561) 8.083 12.344 ( 11.823 -12.741 11.304) 20.734 13.234 ( -5.795 8.426 21.637) 23.932 13.570 ( 4.442 -6.180 -16.201) 17.900 14.074 ( -5.888 6.238 -21.781) 23.409 22.194 ( -0.440 -0.236 -0.448) 0.671 22.410 ( -6.138 5.082 0.089) 7.970 23.530 ( 15.892 -4.444 2.217) 16.650 24.072 ( 2.538 -4.707 23.594) 24.192 24.471 ( 4.401 3.127 2.465) 5.935 24.898 ( -5.259 4.425 -9.413) 11.655 25.012 ( -3.052 -1.679 -4.467) 5.665 25.274 ( -7.997 1.540 -5.324) 9.730 ======================= Grid point 38 (27/102) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 19.177 -19.177 0.000) 27.120 2.323 ( 24.294 -24.294 0.000) 34.356 2.597 ( 28.130 -28.130 0.000) 39.782 3.257 ( 13.839 -13.839 0.000) 19.571 3.579 ( -7.738 7.738 -0.000) 10.943 3.886 ( 12.364 -12.364 0.000) 17.485 3.904 ( 15.701 -15.701 0.000) 22.204 4.641 ( -5.757 5.757 -0.000) 8.142 4.675 ( -2.749 2.749 -0.000) 3.888 4.828 ( -9.476 9.476 -0.000) 13.400 5.287 ( -4.303 4.303 -0.000) 6.085 5.693 ( -13.179 13.179 -0.000) 18.637 6.971 ( 1.444 -1.444 0.000) 2.043 6.992 ( -0.195 0.195 -0.000) 0.276 7.009 ( 7.018 -7.018 0.000) 9.925 7.032 ( 1.224 -1.224 0.000) 1.731 7.233 ( 0.540 -0.540 0.000) 0.764 8.069 ( -9.873 9.873 -0.000) 13.963 8.221 ( -4.144 4.144 -0.000) 5.861 8.961 ( -10.652 10.652 -0.000) 15.064 10.049 ( 6.973 -6.973 0.000) 9.861 11.283 ( -13.946 13.946 -0.000) 19.722 11.551 ( 4.552 -4.552 0.000) 6.438 12.095 ( -3.702 3.702 -0.000) 5.236 12.265 ( 12.872 -12.872 0.000) 18.204 13.322 ( 6.966 -6.966 0.000) 9.852 13.641 ( -8.715 8.715 -0.000) 12.324 13.861 ( -3.176 3.176 -0.000) 4.492 22.192 ( -0.505 0.505 -0.000) 0.714 22.492 ( -6.407 6.407 -0.000) 9.060 23.432 ( 10.485 -10.485 0.000) 14.828 24.305 ( 5.582 -5.582 0.000) 7.894 24.538 ( 0.717 -0.717 0.000) 1.013 24.776 ( -10.325 10.325 -0.000) 14.602 24.949 ( 1.454 -1.454 0.000) 2.057 25.295 ( -3.607 3.607 -0.000) 5.101 ======================= Grid point 45 (28/102) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 3.394 3.394 -7.625) 9.010 2.967 ( 1.328 1.328 -11.208) 11.364 3.445 ( 13.195 13.195 -9.030) 20.730 3.678 ( 6.228 6.228 -4.914) 10.086 4.054 ( -1.010 -1.010 3.745) 4.008 4.167 ( 1.941 1.941 3.300) 4.292 4.247 ( 0.389 0.389 -4.755) 4.787 4.378 ( -3.745 -3.745 -17.819) 18.589 4.474 ( 1.513 1.513 8.753) 9.011 4.626 ( -7.363 -7.363 3.102) 10.866 5.093 ( -0.938 -0.938 -5.425) 5.585 5.233 ( -5.078 -5.078 -8.302) 10.977 6.966 ( 1.348 1.348 5.673) 5.985 6.994 ( 0.660 0.660 5.763) 5.838 7.152 ( 2.172 2.172 -1.131) 3.273 7.347 ( -4.897 -4.897 -9.439) 11.706 7.545 ( -0.246 -0.246 -1.730) 1.764 7.677 ( -4.619 -4.619 -5.250) 8.381 8.248 ( 4.346 4.346 0.808) 6.198 8.401 ( -0.999 -0.999 -2.941) 3.262 10.401 ( 6.334 6.334 0.546) 8.974 10.612 ( 2.281 2.281 -4.586) 5.607 11.690 ( -0.237 -0.237 9.866) 9.872 11.990 ( -7.034 -7.034 2.199) 10.188 12.513 ( 3.243 3.243 14.502) 15.210 12.658 ( -1.766 -1.766 14.310) 14.526 14.084 ( 0.010 0.010 -15.697) 15.697 14.133 ( -1.679 -1.679 -20.353) 20.491 22.245 ( -0.586 -0.586 0.076) 0.831 22.256 ( -0.873 -0.873 -0.954) 1.561 23.526 ( 8.740 8.740 10.958) 16.518 23.939 ( 0.122 0.122 11.187) 11.189 24.406 ( 7.931 7.931 -1.399) 11.303 24.890 ( -3.063 -3.063 -0.980) 4.441 24.975 ( 2.571 2.571 2.362) 4.335 25.405 ( -12.137 -12.137 -10.061) 19.896 ======================= Grid point 47 (29/102) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 13.813 -15.278 -9.504) 22.683 2.931 ( -1.122 5.197 -10.150) 11.458 3.413 ( 24.160 1.235 -4.950) 24.693 3.750 ( 1.641 3.298 -2.637) 4.530 3.862 ( 5.018 -27.719 -7.014) 29.030 4.036 ( 7.464 4.288 -0.022) 8.608 4.262 ( -11.120 6.190 -3.591) 13.224 4.353 ( -11.507 10.134 1.495) 15.406 4.555 ( 9.305 -12.972 5.820) 16.992 4.683 ( 3.251 -5.048 9.896) 11.575 5.064 ( -7.412 6.532 -4.566) 10.884 5.105 ( -11.097 8.664 -4.999) 14.940 7.017 ( 2.590 -1.473 2.582) 3.943 7.052 ( 0.896 -0.255 1.784) 2.012 7.116 ( 1.688 -3.692 -3.423) 5.310 7.199 ( -2.288 0.823 -4.592) 5.196 7.420 ( 5.161 -7.166 -4.477) 9.901 7.658 ( -10.991 8.472 -2.698) 14.137 8.235 ( 6.698 -4.420 -0.305) 8.031 8.477 ( -9.413 11.357 0.424) 14.757 10.396 ( 13.028 -5.988 -0.840) 14.362 10.698 ( -7.972 13.559 0.406) 15.734 11.771 ( 2.293 -4.951 2.809) 6.137 11.932 ( -8.745 -1.173 0.803) 8.859 12.684 ( 12.313 -11.094 14.687) 22.145 12.998 ( -9.362 10.090 18.181) 22.804 13.730 ( 5.690 -6.275 -16.388) 18.448 13.901 ( -6.292 6.223 -18.850) 20.824 22.212 ( 1.188 -1.802 -0.149) 2.163 22.282 ( -3.920 3.187 0.029) 5.052 23.793 ( 16.335 1.520 8.552) 18.501 24.089 ( -1.839 2.026 11.380) 11.705 24.481 ( 4.296 3.973 0.453) 5.869 24.763 ( -11.710 -5.602 -8.962) 15.774 25.039 ( 3.111 0.250 0.506) 3.162 25.169 ( -6.485 -1.266 -4.379) 7.927 ======================= Grid point 48 (30/102) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 16.487 -16.487 0.000) 23.316 2.843 ( 8.477 -8.477 0.000) 11.988 3.331 ( 24.397 -24.397 0.000) 34.503 3.435 ( 1.562 -1.562 0.000) 2.208 3.636 ( 12.090 -12.090 0.000) 17.099 4.103 ( 1.239 -1.239 0.000) 1.752 4.360 ( 13.798 -13.798 0.000) 19.514 4.391 ( -9.377 9.377 -0.000) 13.261 4.528 ( -11.876 11.876 -0.000) 16.795 4.659 ( 4.157 -4.157 0.000) 5.878 5.124 ( -7.383 7.383 -0.000) 10.442 5.292 ( -15.522 15.522 -0.000) 21.952 7.017 ( 1.777 -1.777 0.000) 2.514 7.029 ( 2.773 -2.773 0.000) 3.922 7.074 ( 0.855 -0.855 0.000) 1.210 7.146 ( 2.039 -2.039 0.000) 2.884 7.289 ( 4.450 -4.450 0.000) 6.293 7.776 ( -10.807 10.807 -0.000) 15.283 8.181 ( 2.137 -2.137 0.000) 3.021 8.647 ( -11.532 11.532 -0.000) 16.308 10.276 ( 9.300 -9.300 0.000) 13.152 10.906 ( -13.023 13.023 -0.000) 18.418 11.690 ( 5.306 -5.306 0.000) 7.504 11.978 ( -4.647 4.647 -0.000) 6.572 12.639 ( 13.736 -13.736 0.000) 19.425 13.360 ( -11.348 11.348 -0.000) 16.048 13.498 ( 5.678 -5.678 0.000) 8.029 13.762 ( -3.937 3.937 -0.000) 5.568 22.194 ( 0.714 -0.714 0.000) 1.010 22.337 ( -4.599 4.599 -0.000) 6.504 23.753 ( 12.323 -12.323 0.000) 17.428 24.436 ( 3.808 -3.808 0.000) 5.386 24.460 ( -12.214 12.214 -0.000) 17.273 24.545 ( -0.299 0.299 -0.000) 0.423 25.004 ( 2.512 -2.512 0.000) 3.553 25.190 ( -3.839 3.839 -0.000) 5.429 ======================= Grid point 58 (31/102) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 12.032 -12.032 0.000) 17.016 2.721 ( -12.032 12.032 -0.000) 17.016 3.696 ( 9.976 -9.976 0.000) 14.108 3.696 ( -9.976 9.976 -0.000) 14.108 3.942 ( 19.207 -19.207 0.000) 27.163 3.942 ( -19.207 19.207 -0.000) 27.163 4.197 ( 10.340 -10.340 0.000) 14.623 4.197 ( -10.340 10.340 -0.000) 14.623 4.838 ( 16.860 -16.860 0.000) 23.844 4.838 ( -16.860 16.860 -0.000) 23.844 4.883 ( 9.567 -9.567 0.000) 13.529 4.883 ( -9.567 9.567 -0.000) 13.529 7.063 ( 1.324 -1.324 0.000) 1.872 7.063 ( -1.324 1.324 -0.000) 1.872 7.121 ( 3.039 -3.039 0.000) 4.297 7.121 ( -3.039 3.039 -0.000) 4.297 7.489 ( 9.342 -9.342 0.000) 13.212 7.489 ( -9.342 9.342 -0.000) 13.212 8.348 ( 9.194 -9.194 0.000) 13.002 8.348 ( -9.194 9.194 -0.000) 13.002 10.565 ( 11.393 -11.393 0.000) 16.113 10.565 ( -11.393 11.393 -0.000) 16.113 11.839 ( 5.264 -5.264 0.000) 7.445 11.839 ( -5.264 5.264 -0.000) 7.445 13.017 ( 13.156 -13.156 0.000) 18.606 13.017 ( -13.156 13.156 -0.000) 18.606 13.642 ( 4.705 -4.705 0.000) 6.654 13.642 ( -4.705 4.705 -0.000) 6.654 22.238 ( 2.533 -2.533 0.000) 3.582 22.238 ( -2.533 2.533 -0.000) 3.582 24.107 ( 12.911 -12.911 0.000) 18.259 24.107 ( -12.911 12.911 -0.000) 18.259 24.515 ( 1.901 -1.901 0.000) 2.689 24.515 ( -1.901 1.901 -0.000) 2.689 25.088 ( 3.423 -3.423 0.000) 4.841 25.088 ( -3.423 3.423 -0.000) 4.841 ======================= Grid point 116 (32/102) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 18.520 18.520 17.458) 31.476 1.855 ( 24.699 24.699 14.704) 37.898 2.745 ( 14.758 14.758 44.184) 48.866 3.007 ( 10.777 10.777 9.972) 18.214 3.469 ( 11.096 11.096 -2.323) 15.863 3.565 ( 13.096 13.096 3.240) 18.802 3.966 ( -7.186 -7.186 0.947) 10.206 4.381 ( 1.426 1.426 -17.384) 17.501 4.540 ( 2.660 2.660 6.320) 7.355 5.278 ( -8.374 -8.374 5.106) 12.896 5.429 ( -1.948 -1.948 3.455) 4.419 5.620 ( -1.497 -1.497 -5.866) 6.236 6.708 ( 5.179 5.179 0.752) 7.362 6.709 ( 2.322 2.322 -13.954) 14.335 7.145 ( -1.459 -1.459 6.245) 6.577 7.167 ( 0.435 0.435 6.253) 6.283 7.884 ( -12.093 -12.093 8.079) 18.915 8.368 ( -7.388 -7.388 2.897) 10.842 8.416 ( -5.298 -5.298 2.975) 8.061 9.133 ( -7.338 -7.338 -5.482) 11.737 10.000 ( 3.865 3.865 6.725) 8.666 10.676 ( 11.096 11.096 -16.970) 23.113 11.776 ( 6.097 6.097 -6.080) 10.550 12.005 ( -5.751 -5.751 1.040) 8.199 12.073 ( -2.309 -2.309 -6.219) 7.024 13.094 ( -2.965 -2.965 -21.978) 22.374 13.941 ( -9.878 -9.878 29.565) 32.699 14.643 ( -4.523 -4.523 19.317) 20.349 22.241 ( -1.255 -1.255 1.446) 2.290 22.678 ( -6.825 -6.825 0.182) 9.654 23.166 ( 7.698 7.698 -0.578) 10.902 23.219 ( 15.827 15.827 -25.933) 34.257 24.314 ( 1.890 1.890 -9.134) 9.517 24.996 ( 0.160 0.160 2.195) 2.206 25.128 ( -0.469 -0.469 -5.305) 5.346 25.907 ( -13.881 -13.881 19.425) 27.617 ======================= Grid point 117 (33/102) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 30.127 6.700 17.904) 35.680 2.506 ( 10.166 28.079 16.829) 34.278 3.112 ( 9.489 8.197 -0.392) 12.545 3.587 ( 7.781 13.591 -3.768) 16.107 3.651 ( 7.955 16.957 15.535) 24.334 3.808 ( -2.558 -5.345 -0.518) 5.948 3.968 ( 6.632 14.349 19.105) 24.797 4.189 ( 2.945 1.751 -1.770) 3.856 4.799 ( 0.053 1.380 18.932) 18.982 5.146 ( -7.082 -14.932 -1.848) 16.629 5.460 ( -2.311 -2.687 4.380) 5.634 5.523 ( -4.831 -2.826 -1.920) 5.917 6.515 ( 3.456 4.023 -15.618) 16.494 6.789 ( 2.856 4.635 0.347) 5.455 7.193 ( 4.321 -3.259 4.365) 6.953 7.327 ( -3.936 5.897 5.579) 9.022 7.721 ( -5.163 -9.747 -5.557) 12.350 8.275 ( -5.634 -10.659 2.364) 12.286 8.394 ( -6.085 -5.289 2.217) 8.362 8.928 ( -6.500 -8.165 -5.828) 11.953 10.152 ( 5.457 1.897 6.957) 9.043 10.668 ( 3.053 11.634 -5.851) 13.376 11.642 ( 2.681 -5.436 -10.417) 12.052 11.948 ( -1.546 0.493 -3.971) 4.290 12.021 ( -0.468 2.376 -0.187) 2.429 12.751 ( -2.171 -3.664 -15.523) 16.097 14.193 ( -3.999 -6.378 18.041) 19.549 14.826 ( -6.003 -5.038 12.607) 14.844 22.249 ( -2.116 -0.764 1.326) 2.611 22.600 ( -8.425 -5.622 0.753) 10.156 23.083 ( 11.797 10.085 -14.400) 21.172 23.268 ( 9.778 8.620 -2.241) 13.227 24.218 ( 4.452 2.700 -6.710) 8.493 24.986 ( 2.390 -3.070 -1.343) 4.116 25.053 ( -1.613 0.777 -3.445) 3.883 25.979 ( -13.837 -10.875 12.342) 21.496 ======================= Grid point 118 (34/102) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 30.211 4.723 17.249) 35.107 2.972 ( 9.941 6.043 -2.263) 11.851 3.207 ( 10.287 14.950 4.993) 18.821 3.692 ( -3.705 -6.807 -0.628) 7.775 3.751 ( 0.445 14.950 -1.277) 15.011 3.929 ( 1.525 13.915 -3.110) 14.340 4.045 ( 6.823 3.639 -2.295) 8.066 4.748 ( 3.140 -4.107 19.319) 19.998 4.857 ( -2.224 -10.301 12.127) 16.066 5.122 ( 0.884 5.399 12.959) 14.066 5.458 ( -6.904 -2.494 0.221) 7.344 5.506 ( -2.801 -0.408 1.755) 3.330 6.369 ( 3.308 3.940 -7.941) 9.462 6.800 ( -1.197 0.082 -7.117) 7.217 7.107 ( 6.028 -4.575 -7.143) 10.406 7.445 ( -3.833 4.041 1.187) 5.695 7.637 ( -0.329 0.888 4.635) 4.731 8.165 ( -7.697 -7.135 -0.029) 10.496 8.317 ( -1.924 -7.552 -0.217) 7.797 8.764 ( -6.289 -4.603 -2.776) 8.273 10.260 ( 4.831 0.598 4.348) 6.527 10.769 ( -1.878 9.092 -1.064) 9.345 11.390 ( 4.314 -8.378 -7.083) 11.788 11.900 ( -4.587 1.651 -3.716) 6.129 12.078 ( 3.971 3.693 0.715) 5.470 12.513 ( -1.122 -3.387 -8.263) 9.001 14.343 ( -0.417 -2.539 9.013) 9.373 14.907 ( -7.607 -3.606 5.881) 10.270 22.260 ( -2.480 -0.288 0.876) 2.646 22.546 ( -10.046 -3.254 0.354) 10.566 23.026 ( 9.332 5.335 -6.915) 12.782 23.331 ( 11.216 4.822 -1.710) 12.328 24.182 ( 8.782 2.634 -2.863) 9.605 24.912 ( 1.520 -2.655 -1.716) 3.508 25.021 ( -1.435 -0.058 -1.721) 2.242 26.005 ( -14.613 -5.831 6.035) 16.851 ======================= Grid point 119 (35/102) ======================= q-point: (-0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 35.402 0.000 -0.000) 35.402 2.860 ( 8.641 0.000 0.000) 8.641 3.478 ( 4.968 0.000 0.000) 4.968 3.566 ( -3.882 -0.000 -0.000) 3.882 3.890 ( -0.487 0.000 0.000) 0.487 3.986 ( 5.492 0.000 -0.000) 5.492 4.107 ( 0.753 0.000 0.000) 0.753 4.559 ( -1.512 0.000 0.000) 1.512 5.118 ( 2.555 0.000 -0.000) 2.555 5.322 ( 3.547 0.000 0.000) 3.547 5.438 ( -8.307 0.000 0.000) 8.307 5.516 ( -1.885 0.000 0.000) 1.885 6.411 ( 1.573 0.000 0.000) 1.573 6.594 ( -3.492 0.000 0.000) 3.492 7.029 ( 7.823 0.000 0.000) 7.823 7.495 ( 0.625 0.000 -0.000) 0.625 7.711 ( -3.947 0.000 0.000) 3.947 8.104 ( -10.359 0.000 0.000) 10.359 8.242 ( 2.698 0.000 0.000) 2.698 8.714 ( -6.472 0.000 0.000) 6.472 10.299 ( 4.072 0.000 0.000) 4.072 10.838 ( -4.473 -0.000 0.000) 4.473 11.258 ( 6.242 0.000 0.000) 6.242 11.882 ( -4.281 0.000 0.000) 4.281 12.116 ( 3.985 0.000 0.000) 3.985 12.417 ( -0.385 0.000 0.000) 0.385 14.398 ( 0.885 0.000 0.000) 0.885 14.925 ( -8.423 0.000 0.000) 8.423 22.265 ( -2.454 0.000 0.000) 2.454 22.525 ( -10.843 0.000 0.000) 10.843 23.009 ( 8.686 0.000 0.000) 8.686 23.350 ( 11.275 0.000 0.000) 11.275 24.182 ( 11.474 0.000 0.000) 11.474 24.878 ( 0.619 0.000 0.000) 0.619 25.005 ( -1.453 0.000 0.000) 1.453 26.011 ( -15.013 0.000 0.000) 15.013 ======================= Grid point 125 (36/102) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 14.140 -0.000 0.000) 14.140 0.898 ( 31.442 -0.000 0.000) 31.442 1.634 ( 56.130 -0.000 0.000) 56.130 2.727 ( 11.779 -0.000 0.000) 11.779 3.287 ( 11.043 -0.000 0.000) 11.043 3.372 ( 16.200 -0.000 0.000) 16.200 3.883 ( -4.833 0.000 -0.000) 4.833 4.712 ( -2.762 0.000 -0.000) 2.762 4.751 ( 1.876 -0.000 0.000) 1.876 5.194 ( -2.536 0.000 -0.000) 2.536 5.394 ( -0.958 0.000 -0.000) 0.958 6.190 ( -13.610 0.000 -0.000) 13.610 6.586 ( 6.649 -0.000 0.000) 6.649 6.946 ( 1.243 -0.000 0.000) 1.243 7.011 ( -5.105 0.000 -0.000) 5.105 7.135 ( 0.977 -0.000 0.000) 0.977 7.199 ( 0.319 -0.000 0.000) 0.319 8.379 ( -10.095 0.000 -0.000) 10.095 8.482 ( -2.958 0.000 -0.000) 2.958 9.337 ( -8.150 0.000 -0.000) 8.150 9.782 ( 1.421 -0.000 0.000) 1.421 11.453 ( 5.651 -0.000 0.000) 5.651 11.776 ( 11.226 -0.000 0.000) 11.226 11.854 ( -21.271 0.000 -0.000) 21.271 12.277 ( 1.343 -0.000 0.000) 1.343 12.949 ( 11.350 -0.000 0.000) 11.350 13.925 ( -5.255 0.000 -0.000) 5.255 13.977 ( -1.875 0.000 -0.000) 1.875 22.242 ( -0.505 0.000 -0.000) 0.505 22.873 ( -5.603 0.000 -0.000) 5.603 22.975 ( 1.034 -0.000 0.000) 1.034 24.049 ( 11.326 -0.000 0.000) 11.326 24.390 ( -6.653 0.000 -0.000) 6.653 24.912 ( 0.183 -0.000 0.000) 0.183 25.165 ( -3.408 0.000 -0.000) 3.408 25.477 ( -0.388 0.000 -0.000) 0.388 ======================= Grid point 128 (37/102) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 12.784 12.784 17.008) 24.821 2.960 ( 19.605 19.605 14.904) 31.477 3.230 ( 11.420 11.420 -3.709) 16.570 3.558 ( 9.014 9.014 -13.679) 18.699 3.717 ( -3.724 -3.724 0.984) 5.358 3.856 ( 5.404 5.404 1.518) 7.791 4.074 ( 5.074 5.074 -1.705) 7.375 4.780 ( 9.135 9.135 39.319) 41.387 4.937 ( -13.382 -13.382 0.895) 18.946 5.102 ( 2.588 2.588 5.993) 7.022 5.405 ( -5.188 -5.188 -2.316) 7.694 5.496 ( -2.657 -2.657 4.266) 5.685 6.366 ( 3.675 3.675 -8.119) 9.640 6.790 ( 0.514 0.514 -6.243) 6.286 7.221 ( 0.325 0.325 -10.096) 10.106 7.342 ( 0.692 0.692 5.917) 5.997 7.639 ( -0.423 -0.423 2.635) 2.702 8.160 ( -10.316 -10.316 -2.107) 14.740 8.361 ( -3.934 -3.934 1.511) 5.765 8.749 ( -6.322 -6.322 -4.695) 10.099 10.301 ( 3.394 3.394 3.582) 5.989 10.675 ( 4.291 4.291 -0.717) 6.110 11.499 ( -1.220 -1.220 -8.726) 8.895 11.840 ( -2.582 -2.582 -2.071) 4.199 12.080 ( 4.269 4.269 1.037) 6.126 12.530 ( -2.404 -2.404 -8.473) 9.129 14.364 ( -2.510 -2.510 9.843) 10.464 14.873 ( -6.260 -6.260 4.682) 10.015 22.242 ( -1.295 -1.295 0.962) 2.069 22.495 ( -5.969 -5.969 -1.115) 8.515 23.057 ( 9.332 9.332 -7.427) 15.144 23.374 ( 5.952 5.952 0.501) 8.432 24.234 ( 8.383 8.383 -2.661) 12.151 24.968 ( -0.170 -0.170 -3.334) 3.343 24.990 ( -0.329 -0.329 -2.120) 2.170 25.934 ( -13.903 -13.903 7.181) 20.931 ======================= Grid point 129 (38/102) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 9.656 3.739 9.756) 14.227 3.167 ( 35.295 -1.641 -4.491) 35.617 3.410 ( 3.712 9.123 4.221) 10.715 3.593 ( -2.241 4.812 -0.752) 5.361 3.762 ( 0.875 20.881 -0.191) 20.900 3.890 ( -1.935 -0.255 0.177) 1.960 4.150 ( 7.139 2.583 1.034) 7.662 4.683 ( -7.612 -16.787 -2.547) 18.608 5.127 ( 3.234 3.503 -9.075) 10.251 5.317 ( -4.554 1.330 -0.560) 4.778 5.367 ( 1.504 0.217 14.248) 14.329 5.504 ( -2.579 -2.373 0.498) 3.540 6.410 ( 1.218 1.947 8.151) 8.468 6.578 ( -2.533 -2.689 -10.466) 11.099 7.135 ( 7.706 1.777 -2.072) 8.175 7.459 ( -0.333 4.321 3.302) 5.449 7.698 ( -0.239 -2.395 3.180) 3.988 7.969 ( -12.957 -5.812 -4.894) 15.021 8.310 ( 1.133 -3.300 -1.265) 3.711 8.629 ( -6.719 -2.252 -2.676) 7.574 10.359 ( 5.009 1.484 -0.031) 5.225 10.735 ( -2.493 3.822 0.181) 4.567 11.375 ( 4.480 -2.086 -2.497) 5.537 11.820 ( -5.108 -1.579 2.378) 5.851 12.154 ( 4.792 3.481 1.118) 6.028 12.419 ( -1.346 -1.645 -1.924) 2.867 14.431 ( 0.993 -1.510 1.803) 2.553 14.819 ( -8.545 -3.210 -2.308) 9.415 22.242 ( -1.342 -0.607 0.514) 1.560 22.410 ( -6.783 -2.094 -2.024) 7.382 23.100 ( 8.725 5.087 -0.178) 10.101 23.447 ( 3.776 0.803 3.126) 4.967 24.339 ( 16.524 8.595 -0.735) 18.640 24.906 ( 1.438 -2.097 -1.434) 2.919 24.969 ( -2.199 1.592 -1.793) 3.254 25.836 ( -17.890 -9.884 1.890) 20.526 ======================= Grid point 130 (39/102) ======================= q-point: (-0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 21.488 -6.642 -11.993) 25.489 3.250 ( 23.013 -0.463 6.325) 23.871 3.444 ( -2.737 -1.535 -5.605) 6.423 3.600 ( 7.231 -1.048 3.961) 8.311 3.870 ( -1.446 -2.064 0.020) 2.520 4.114 ( 3.900 -8.743 4.976) 10.789 4.142 ( 2.147 10.276 3.827) 11.173 4.519 ( -6.326 1.724 0.391) 6.569 4.903 ( 5.337 2.526 -26.015) 26.677 5.218 ( 0.481 -7.130 -19.986) 21.226 5.313 ( -8.196 2.020 -1.424) 8.560 5.460 ( -4.609 -1.151 -3.574) 5.945 6.482 ( 4.539 -4.364 11.010) 12.684 6.741 ( -2.426 4.835 14.789) 15.747 7.155 ( 7.762 2.546 1.013) 8.232 7.495 ( 0.533 -5.560 -1.566) 5.801 7.614 ( -3.377 -0.721 -5.058) 6.124 7.937 ( -13.109 4.228 -0.034) 13.774 8.261 ( 3.360 1.720 -2.632) 4.602 8.606 ( -7.860 3.220 -0.798) 8.532 10.350 ( 6.991 -0.107 -2.334) 7.371 10.766 ( -5.853 0.156 0.226) 5.860 11.401 ( 7.394 2.946 5.354) 9.593 11.851 ( -6.421 -2.737 5.084) 8.635 12.186 ( 5.305 -1.926 0.739) 5.692 12.446 ( -2.242 2.568 5.359) 6.352 14.361 ( 2.520 -2.387 -7.357) 8.135 14.738 ( -9.519 2.792 -7.362) 12.353 22.234 ( -1.167 -0.612 -0.466) 1.397 22.384 ( -7.234 2.075 -1.284) 7.634 23.189 ( 9.480 1.087 6.156) 11.355 23.499 ( 3.274 -4.220 6.336) 8.287 24.395 ( 18.484 0.878 -1.212) 18.544 24.901 ( 1.651 2.050 1.373) 2.969 24.982 ( -2.105 2.283 0.010) 3.106 25.729 ( -20.147 -2.754 -4.091) 20.741 ======================= Grid point 131 (40/102) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 23.142 -10.139 -13.557) 28.673 3.024 ( 18.166 -17.233 -12.590) 28.026 3.413 ( 12.870 -9.329 1.959) 16.016 3.619 ( -7.328 4.652 -0.140) 8.681 3.869 ( 8.661 -5.356 2.593) 10.508 3.994 ( 3.919 -17.910 1.441) 18.390 4.219 ( 5.743 -4.084 7.964) 10.634 4.328 ( 8.324 -10.221 -32.227) 34.819 4.692 ( -10.678 10.806 -5.637) 16.204 4.889 ( -0.949 8.828 -13.612) 16.251 5.350 ( -6.057 5.768 -1.593) 8.514 5.398 ( -7.085 1.200 -2.895) 7.747 6.635 ( 4.918 -4.791 14.745) 16.265 6.894 ( 3.081 -3.355 3.673) 5.851 7.216 ( 4.085 2.353 -3.475) 5.856 7.353 ( -3.660 -4.891 -2.573) 6.628 7.567 ( -2.109 3.823 -2.772) 5.172 8.021 ( -10.384 9.317 -1.796) 14.066 8.265 ( -1.550 3.872 -2.943) 5.104 8.704 ( -8.419 8.536 2.660) 12.281 10.278 ( 7.866 -2.796 -4.503) 9.485 10.772 ( -3.124 -2.637 4.063) 5.764 11.595 ( 4.923 6.763 8.826) 12.160 11.902 ( -7.198 -2.298 6.153) 9.744 12.131 ( 6.041 -6.116 0.055) 8.596 12.650 ( -3.742 4.945 13.321) 14.694 14.147 ( 1.362 -1.700 -15.682) 15.832 14.648 ( -7.891 6.200 -12.791) 16.258 22.218 ( -1.205 0.047 -0.910) 1.511 22.419 ( -6.756 4.717 -0.666) 8.267 23.328 ( 11.809 -1.531 11.909) 16.841 23.511 ( 4.207 -10.450 7.671) 13.629 24.364 ( 10.536 -3.855 1.972) 11.391 24.981 ( 3.536 3.654 2.137) 5.516 25.023 ( -1.942 1.861 1.269) 2.975 25.632 ( -18.516 5.691 -10.961) 22.257 ======================= Grid point 132 (41/102) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 17.875 -17.875 -14.359) 29.072 2.537 ( 23.580 -23.580 -11.626) 35.316 3.171 ( 15.497 -15.497 -17.494) 28.042 3.384 ( 15.683 -15.683 -20.638) 30.296 3.694 ( -4.917 4.917 -1.981) 7.230 3.866 ( 9.588 -9.588 3.696) 14.055 3.932 ( 12.046 -12.046 -4.143) 17.533 4.394 ( -0.246 0.246 14.655) 14.660 4.568 ( -1.052 1.052 -7.539) 7.685 4.992 ( -12.021 12.021 -3.651) 17.388 5.352 ( -3.647 3.647 -3.978) 6.514 5.494 ( -7.220 7.220 4.830) 11.295 6.788 ( 3.338 -3.338 11.690) 12.607 6.861 ( 5.483 -5.483 1.870) 7.977 7.121 ( 0.033 -0.033 -7.045) 7.045 7.220 ( 3.026 -3.026 -6.892) 8.113 7.609 ( -7.783 7.783 -7.426) 13.277 8.124 ( -9.856 9.856 -2.796) 14.216 8.271 ( -4.450 4.450 -2.939) 6.946 8.893 ( -9.678 9.678 3.958) 14.247 10.137 ( 5.938 -5.938 -5.166) 9.859 10.861 ( 2.004 -2.004 12.437) 12.756 11.787 ( -4.947 4.947 2.175) 7.327 11.996 ( -3.243 3.243 5.628) 7.260 12.041 ( 9.109 -9.109 3.274) 13.291 12.986 ( -4.837 4.837 20.337) 21.457 13.831 ( 0.710 -0.710 -22.291) 22.314 14.490 ( -6.340 6.340 -18.853) 20.877 22.210 ( -0.860 0.860 -0.971) 1.556 22.490 ( -6.384 6.384 -0.196) 9.031 23.408 ( 9.233 -9.233 1.481) 13.141 23.566 ( 9.305 -9.305 24.095) 27.455 24.383 ( 3.233 -3.233 6.672) 8.088 25.008 ( 0.726 -0.726 -1.462) 1.787 25.088 ( -2.589 2.589 2.095) 4.218 25.539 ( -12.368 12.368 -17.012) 24.400 ======================= Grid point 134 (42/102) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 8.324 -47.948 0.000) 48.665 1.392 ( 28.073 -9.239 0.000) 29.554 2.394 ( 50.545 -1.658 0.000) 50.572 2.959 ( 14.685 -6.333 0.000) 15.992 3.523 ( 14.280 -7.540 0.000) 16.148 3.662 ( 19.843 -4.769 0.000) 20.408 3.771 ( -6.235 4.568 -0.000) 7.729 4.631 ( -10.177 -0.332 -0.000) 10.183 4.782 ( 2.862 0.734 0.000) 2.955 5.093 ( -3.729 8.008 -0.000) 8.833 5.364 ( -2.262 1.312 -0.000) 2.615 5.935 ( -17.084 4.162 -0.000) 17.584 6.762 ( 7.483 -8.159 0.000) 11.071 6.960 ( 1.418 -0.003 0.000) 1.418 6.965 ( -1.800 -0.938 -0.000) 2.030 7.116 ( 1.429 4.179 -0.000) 4.417 7.214 ( 0.017 -1.222 0.000) 1.222 8.208 ( -12.404 1.657 -0.000) 12.514 8.395 ( -4.130 4.980 -0.000) 6.470 9.171 ( -11.466 3.997 -0.000) 12.143 9.847 ( 2.030 -5.616 0.000) 5.972 11.518 ( -22.415 3.448 -0.000) 22.679 11.540 ( 9.166 1.975 0.000) 9.376 11.990 ( 13.305 -5.702 0.000) 14.476 12.256 ( 1.732 5.535 -0.000) 5.800 13.132 ( 8.599 -5.128 0.000) 10.012 13.814 ( -7.386 3.279 -0.000) 8.081 13.932 ( -2.787 1.668 -0.000) 3.248 22.223 ( -0.553 1.275 -0.000) 1.389 22.705 ( -6.287 8.338 -0.000) 10.442 23.095 ( 1.851 -11.426 0.000) 11.575 24.235 ( 13.726 -0.638 0.000) 13.741 24.326 ( -11.348 -7.422 -0.000) 13.559 24.919 ( 0.398 -0.590 0.000) 0.711 25.090 ( -1.514 5.639 -0.000) 5.838 25.421 ( -1.694 5.026 -0.000) 5.304 ======================= Grid point 135 (43/102) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 11.008 -0.000 17.120) 20.353 1.593 ( 24.934 -0.000 28.315) 37.728 2.523 ( 47.746 -0.000 18.772) 51.303 2.930 ( 13.477 -0.000 1.917) 13.613 3.471 ( 14.713 -0.000 0.192) 14.715 3.621 ( 18.552 -0.000 -0.660) 18.563 3.899 ( -5.437 -0.000 10.766) 12.061 4.569 ( 1.246 0.000 -20.105) 20.144 4.601 ( -6.964 0.000 -3.384) 7.742 5.313 ( -1.332 -0.000 12.405) 12.477 5.395 ( -1.994 0.000 3.183) 3.756 5.679 ( -10.019 0.000 -24.254) 26.242 6.703 ( 8.642 -0.000 0.655) 8.667 6.887 ( 1.702 0.000 -7.898) 8.079 6.987 ( -1.996 -0.000 3.341) 3.892 7.188 ( 2.290 -0.000 4.426) 4.983 7.523 ( -13.207 -0.000 27.104) 30.151 8.236 ( -12.474 0.000 2.139) 12.656 8.445 ( -4.406 0.000 1.657) 4.708 9.177 ( -11.228 0.000 -2.730) 11.556 9.837 ( 1.784 -0.000 3.966) 4.349 11.136 ( 8.909 0.000 -26.332) 27.798 11.804 ( -9.147 0.000 10.118) 13.640 11.875 ( 6.262 -0.000 -7.847) 10.040 12.267 ( 1.795 0.000 -3.943) 4.333 13.347 ( -4.982 -0.000 11.545) 12.574 13.524 ( -1.409 0.000 -5.342) 5.525 14.304 ( -5.155 -0.000 24.841) 25.370 22.243 ( -0.708 -0.000 1.187) 1.382 22.783 ( -6.557 0.000 -0.103) 6.558 22.985 ( 1.540 -0.000 -0.967) 1.819 23.758 ( 15.949 0.000 -34.549) 38.053 24.390 ( -0.965 0.000 -2.186) 2.389 24.906 ( -2.091 0.000 1.509) 2.578 25.173 ( -2.749 0.000 0.097) 2.751 25.655 ( -6.602 -0.000 20.970) 21.985 ======================= Grid point 139 (44/102) ======================= q-point: (-0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 4.175 4.175 -0.349) 5.914 3.283 ( 0.465 0.465 -9.013) 9.037 3.640 ( 15.123 15.123 2.205) 21.501 3.666 ( 2.170 2.170 -1.906) 3.612 3.856 ( 13.344 13.344 8.898) 20.864 3.898 ( -2.474 -2.474 5.058) 6.151 4.242 ( 1.442 1.442 2.371) 3.127 4.507 ( -10.675 -10.675 -2.032) 15.232 4.920 ( 3.584 3.584 -20.997) 21.600 5.223 ( -1.694 -1.694 -2.741) 3.640 5.294 ( -3.626 -3.626 -23.297) 23.855 5.423 ( -4.364 -4.364 -4.056) 7.386 6.599 ( 1.475 1.475 13.189) 13.353 6.632 ( 0.518 0.518 15.688) 15.705 7.207 ( 6.080 6.080 -2.042) 8.838 7.521 ( 2.660 2.660 1.963) 4.243 7.675 ( -9.913 -9.913 -8.469) 16.378 7.733 ( -3.287 -3.287 1.657) 4.935 8.301 ( 2.326 2.326 -2.754) 4.290 8.505 ( -3.672 -3.672 -3.125) 6.061 10.417 ( 4.786 4.786 -0.983) 6.839 10.698 ( -2.370 -2.370 -0.490) 3.387 11.446 ( 4.773 4.773 3.490) 7.599 11.819 ( -5.646 -5.646 6.233) 10.129 12.248 ( 3.765 3.765 3.255) 6.240 12.401 ( -1.633 -1.633 2.464) 3.377 14.426 ( 1.053 1.053 -4.974) 5.193 14.621 ( -5.115 -5.115 -9.360) 11.830 22.239 ( -0.395 -0.395 0.340) 0.653 22.309 ( -2.710 -2.710 -2.056) 4.349 23.250 ( 6.735 6.735 5.318) 10.909 23.548 ( -2.336 -2.336 8.724) 9.329 24.560 ( 17.082 17.082 -3.626) 24.429 24.909 ( -0.343 -0.343 -0.833) 0.964 24.918 ( 0.070 0.070 0.208) 0.230 25.592 ( -16.354 -16.354 -1.658) 23.187 ======================= Grid point 141 (45/102) ======================= q-point: (-0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 15.610 -11.112 -8.872) 21.115 3.274 ( -7.680 8.696 -7.136) 13.621 3.534 ( 18.431 -6.400 -3.287) 19.786 3.808 ( 2.810 -9.166 -0.511) 9.601 3.897 ( 8.406 5.571 5.713) 11.590 4.229 ( 1.837 3.698 5.274) 6.698 4.285 ( -1.422 3.703 8.609) 9.479 4.408 ( -6.263 -3.610 2.449) 7.632 4.550 ( 7.257 -4.999 -28.304) 29.644 4.792 ( -6.080 0.241 -26.354) 27.048 5.195 ( -2.905 4.127 -3.432) 6.103 5.295 ( -7.102 -1.443 -5.838) 9.306 6.781 ( 5.971 -4.824 13.419) 15.459 6.910 ( -1.994 3.459 10.084) 10.845 7.235 ( 5.618 4.118 -3.256) 7.689 7.397 ( -4.432 -8.685 -7.210) 12.127 7.547 ( 2.936 -0.416 -2.242) 3.717 7.751 ( -11.498 5.699 -1.488) 12.919 8.275 ( 5.471 -0.955 -2.551) 6.111 8.477 ( -8.419 5.841 -0.920) 10.289 10.437 ( 9.771 -1.133 -1.425) 9.940 10.682 ( -7.294 2.137 0.491) 7.616 11.605 ( 7.209 5.275 6.705) 11.169 11.837 ( -8.660 -5.223 5.654) 11.586 12.315 ( 7.620 -5.321 5.643) 10.873 12.510 ( -5.791 5.125 9.896) 12.559 14.251 ( 5.209 -5.393 -13.210) 15.189 14.447 ( -8.472 5.473 -13.232) 16.638 22.223 ( 0.636 -1.512 -0.464) 1.704 22.289 ( -4.283 2.544 -0.627) 5.021 23.454 ( 9.545 4.909 10.433) 14.968 23.647 ( -3.098 -7.848 12.180) 14.817 24.605 ( 17.847 0.247 -5.373) 18.640 24.927 ( -4.580 5.648 -2.241) 7.609 24.982 ( 5.196 5.067 2.784) 7.774 25.359 ( -19.953 -8.068 -5.363) 22.181 ======================= Grid point 142 (46/102) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 15.747 -15.747 -12.294) 25.437 3.096 ( 12.394 -12.394 -11.737) 21.094 3.492 ( -3.414 3.414 -1.673) 5.109 3.602 ( 14.754 -14.754 -2.945) 21.072 3.821 ( 14.320 -14.320 -20.983) 29.162 4.107 ( -0.578 0.578 -3.680) 3.770 4.219 ( 12.479 -12.479 7.386) 19.131 4.452 ( 5.454 -5.454 10.019) 12.644 4.459 ( -7.082 7.082 -6.121) 11.738 4.625 ( -13.712 13.712 -7.124) 20.659 5.226 ( -5.150 5.150 -5.440) 9.091 5.256 ( -8.742 8.742 0.119) 12.364 6.893 ( 4.050 -4.050 8.937) 10.615 6.993 ( 3.274 -3.274 2.661) 5.340 7.154 ( 2.202 -2.202 -6.906) 7.576 7.279 ( -0.121 0.121 -4.349) 4.352 7.474 ( -0.813 0.813 -5.969) 6.079 7.836 ( -10.430 10.430 -2.802) 15.013 8.215 ( 1.196 -1.196 -2.259) 2.822 8.610 ( -10.278 10.278 1.849) 14.652 10.330 ( 7.884 -7.884 -3.089) 11.569 10.791 ( -6.346 6.346 5.056) 10.301 11.723 ( 0.597 -0.597 1.525) 1.742 11.896 ( -3.851 3.851 4.814) 7.269 12.322 ( 10.356 -10.356 10.172) 17.832 12.822 ( -7.005 7.005 17.893) 20.452 13.923 ( 5.182 -5.182 -18.092) 19.520 14.298 ( -7.277 7.277 -18.082) 20.805 22.201 ( 0.411 -0.411 -0.487) 0.758 22.335 ( -4.563 4.563 -0.097) 6.454 23.647 ( 7.218 -7.218 6.152) 11.918 23.748 ( 3.825 -3.825 20.072) 20.788 24.507 ( 5.931 -5.931 0.477) 8.402 24.962 ( -7.010 7.010 -5.829) 11.501 25.040 ( 1.655 -1.655 -0.613) 2.419 25.247 ( -7.791 7.791 -7.266) 13.198 ======================= Grid point 144 (47/102) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 6.478 -49.990 0.000) 50.408 1.904 ( 23.793 -11.768 0.000) 26.545 3.049 ( 36.598 -1.655 0.000) 36.635 3.296 ( 15.889 -10.782 0.000) 19.202 3.613 ( -1.426 7.036 -0.000) 7.179 3.856 ( 12.627 -10.981 0.000) 16.734 4.032 ( 19.964 -7.482 0.000) 21.320 4.426 ( -20.026 -1.264 -0.000) 20.066 4.796 ( 3.788 4.192 -0.000) 5.650 4.875 ( -6.704 12.676 -0.000) 14.340 5.286 ( -4.111 3.889 -0.000) 5.659 5.611 ( -18.690 6.519 -0.000) 19.795 6.952 ( 3.166 -3.956 0.000) 5.067 6.997 ( 3.659 -1.387 0.000) 3.913 7.019 ( 5.393 -4.780 0.000) 7.207 7.082 ( 1.843 3.374 -0.000) 3.844 7.233 ( 1.192 -0.984 0.000) 1.545 8.001 ( -11.614 3.648 -0.000) 12.174 8.249 ( -4.149 6.380 -0.000) 7.611 8.915 ( -13.674 7.140 -0.000) 15.426 9.989 ( 2.920 -9.751 0.000) 10.179 11.151 ( -21.571 4.847 -0.000) 22.109 11.656 ( 11.210 1.880 0.000) 11.367 12.181 ( 1.616 8.424 -0.000) 8.577 12.292 ( 13.945 -10.022 0.000) 17.173 13.309 ( 4.479 -6.289 0.000) 7.721 13.633 ( -8.028 6.744 -0.000) 10.485 13.856 ( -3.582 2.733 -0.000) 4.506 22.200 ( -0.110 1.007 -0.000) 1.013 22.507 ( -5.703 7.522 -0.000) 9.439 23.318 ( 2.358 -15.958 0.000) 16.131 24.252 ( -16.673 -9.275 -0.000) 19.079 24.429 ( 14.245 1.156 0.000) 14.292 24.944 ( 0.996 -1.661 0.000) 1.937 24.974 ( 2.358 11.398 -0.000) 11.639 25.310 ( -3.146 5.564 -0.000) 6.392 ======================= Grid point 145 (48/102) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 9.337 -38.314 9.102) 40.472 1.983 ( 22.830 -7.004 23.400) 33.433 3.143 ( 33.078 -1.316 10.050) 34.596 3.184 ( 21.192 -6.254 5.046) 22.664 3.722 ( 6.980 -0.988 0.776) 7.092 3.744 ( 4.380 -0.890 2.712) 5.227 3.968 ( 18.700 -2.982 2.781) 19.140 4.428 ( -17.934 -0.151 2.026) 18.049 4.600 ( 1.610 -0.748 -19.430) 19.511 5.176 ( -4.610 13.377 6.316) 15.494 5.343 ( -3.089 1.976 2.066) 4.209 5.537 ( -14.288 -3.704 -10.217) 17.951 6.855 ( 8.267 -3.057 -2.155) 9.074 6.919 ( 2.343 -1.270 -6.518) 7.042 7.006 ( 3.424 -1.247 3.119) 4.797 7.207 ( 3.718 2.703 6.598) 8.041 7.379 ( -7.126 0.005 16.380) 17.863 8.053 ( -11.977 1.266 2.453) 12.291 8.341 ( -5.420 4.643 1.217) 7.240 8.977 ( -13.516 3.756 -1.891) 14.155 9.904 ( 2.040 -5.698 3.488) 6.985 11.107 ( -11.466 1.922 -9.850) 15.237 11.708 ( 2.032 1.282 0.620) 2.481 12.076 ( 12.642 -5.098 -9.398) 16.557 12.261 ( 2.354 4.587 -3.431) 6.193 13.291 ( -5.774 -0.581 -10.880) 12.331 13.526 ( 3.459 0.538 8.188) 8.905 14.204 ( -6.162 2.821 24.077) 25.012 22.224 ( -0.579 1.115 1.022) 1.620 22.617 ( -6.417 7.681 0.270) 10.012 23.108 ( 1.318 -12.042 -1.130) 12.167 23.924 ( 1.350 -5.328 -22.430) 23.094 24.418 ( 4.955 -0.166 -4.945) 7.002 24.887 ( -1.662 -1.060 -0.511) 2.036 25.123 ( -2.664 1.678 0.647) 3.214 25.544 ( -1.412 7.342 16.908) 18.488 ======================= Grid point 146 (49/102) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 8.614 -0.000 20.404) 22.147 2.359 ( 20.858 -0.000 27.531) 34.540 3.105 ( 10.392 -0.000 -2.791) 10.760 3.489 ( 35.766 -0.000 27.333) 45.014 3.685 ( 15.027 -0.000 -0.200) 15.028 3.785 ( 3.551 -0.000 -0.057) 3.551 4.048 ( 5.625 -0.000 6.249) 8.408 4.273 ( 1.821 0.000 -18.255) 18.346 4.526 ( -8.877 0.000 12.054) 14.970 5.190 ( -15.965 0.000 -15.777) 22.445 5.400 ( -1.944 -0.000 3.895) 4.353 5.488 ( -0.946 -0.000 8.216) 8.271 6.753 ( 2.928 0.000 -12.886) 13.215 6.822 ( 7.440 -0.000 -0.302) 7.446 7.055 ( 2.122 -0.000 3.906) 4.445 7.352 ( 5.886 -0.000 9.140) 10.871 7.596 ( -13.867 0.000 7.944) 15.982 8.114 ( -11.443 0.000 4.182) 12.183 8.398 ( -6.630 0.000 1.422) 6.781 8.962 ( -11.682 0.000 -3.161) 12.102 9.948 ( 1.596 -0.000 6.870) 7.053 10.956 ( 3.821 0.000 -9.623) 10.354 11.631 ( -6.947 0.000 -10.134) 12.287 11.967 ( 8.754 -0.000 -0.185) 8.756 12.206 ( 1.930 0.000 -7.015) 7.275 12.998 ( -6.262 0.000 -19.986) 20.945 13.841 ( -0.746 -0.000 22.814) 22.826 14.585 ( -6.023 -0.000 20.880) 21.732 22.257 ( -0.852 -0.000 1.915) 2.096 22.701 ( -6.944 0.000 1.816) 7.177 22.987 ( 1.853 -0.000 -1.740) 2.542 23.507 ( 11.879 0.000 -23.511) 26.342 24.299 ( 1.215 0.000 -8.579) 8.665 24.893 ( -3.167 0.000 1.354) 3.444 25.109 ( -2.465 0.000 -2.396) 3.438 25.879 ( -3.649 -0.000 16.434) 16.835 ======================= Grid point 152 (50/102) ======================= q-point: (-0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -0.057 -0.057 -11.144) 11.144 2.990 ( 0.057 0.057 -11.144) 11.144 3.716 ( -4.186 -4.186 -1.276) 6.056 3.716 ( 4.186 4.186 -1.276) 6.056 4.135 ( -3.954 -3.954 2.188) 6.004 4.135 ( 3.954 3.954 2.188) 6.004 4.268 ( -1.742 -1.742 -20.825) 20.970 4.268 ( 1.742 1.742 -20.825) 20.970 4.507 ( -0.925 -0.925 11.353) 11.428 4.507 ( 0.925 0.925 11.353) 11.428 5.117 ( -2.757 -2.757 -6.526) 7.602 5.117 ( 2.757 2.757 -6.526) 7.602 6.997 ( -0.303 -0.303 5.427) 5.444 6.997 ( 0.303 0.303 5.427) 5.444 7.228 ( -3.317 -3.317 -5.408) 7.159 7.228 ( 3.317 3.317 -5.408) 7.159 7.576 ( -1.683 -1.683 -3.671) 4.375 7.576 ( 1.683 1.683 -3.671) 4.375 8.348 ( -2.023 -2.023 -0.477) 2.901 8.348 ( 2.023 2.023 -0.477) 2.901 10.567 ( -4.090 -4.090 -0.145) 5.787 10.567 ( 4.090 4.090 -0.145) 5.787 11.789 ( -6.406 -6.406 3.586) 9.744 11.789 ( 6.406 6.406 3.586) 9.744 12.596 ( -1.747 -1.747 14.532) 14.741 12.596 ( 1.747 1.747 14.532) 14.741 14.096 ( -0.311 -0.311 -17.394) 17.399 14.096 ( 0.311 0.311 -17.394) 17.399 22.239 ( -0.058 -0.058 -0.168) 0.187 22.239 ( 0.058 0.058 -0.168) 0.187 23.777 ( -8.666 -8.666 14.010) 18.614 23.777 ( 8.666 8.666 14.010) 18.614 24.720 ( -9.742 -9.742 -7.386) 15.633 24.720 ( 9.742 9.742 -7.386) 15.633 25.105 ( -7.707 -7.707 -0.650) 10.919 25.105 ( 7.707 7.707 -0.650) 10.919 ======================= Grid point 155 (51/102) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 19.392 -11.699 0.000) 22.647 2.552 ( 5.209 -40.898 0.000) 41.228 3.204 ( -5.947 3.799 -0.000) 7.056 3.654 ( 9.165 -8.296 0.000) 12.362 3.795 ( 29.812 -0.360 0.000) 29.814 3.955 ( -16.885 -3.667 -0.000) 17.278 4.277 ( -0.361 -6.102 0.000) 6.112 4.429 ( 17.409 -10.079 0.000) 20.116 4.561 ( -10.549 14.618 -0.000) 18.027 4.788 ( 7.187 5.165 0.000) 8.850 5.136 ( -5.940 7.518 -0.000) 9.582 5.237 ( -17.976 10.290 -0.000) 20.712 7.009 ( 1.304 -2.122 0.000) 2.490 7.068 ( 3.952 1.038 0.000) 4.086 7.080 ( 1.341 -0.448 0.000) 1.413 7.149 ( 2.746 -1.912 0.000) 3.346 7.315 ( 7.511 -3.591 0.000) 8.325 7.779 ( -8.474 8.634 -0.000) 12.098 8.169 ( 0.063 -1.735 0.000) 1.736 8.607 ( -14.086 8.516 -0.000) 16.460 10.199 ( 3.907 -13.432 0.000) 13.989 10.793 ( -19.580 5.146 -0.000) 20.245 11.794 ( 11.803 1.440 0.000) 11.890 12.071 ( 1.344 10.174 -0.000) 10.262 12.643 ( 13.299 -12.634 0.000) 18.344 13.305 ( -11.608 5.145 -0.000) 12.697 13.530 ( 4.489 -1.242 0.000) 4.658 13.758 ( -4.109 3.556 -0.000) 5.434 22.200 ( 1.087 -0.290 0.000) 1.126 22.347 ( -4.139 5.354 -0.000) 6.767 23.592 ( 1.047 -19.420 0.000) 19.448 24.105 ( -20.821 -6.911 -0.000) 21.938 24.594 ( 14.372 3.748 0.000) 14.852 24.849 ( 5.736 14.506 -0.000) 15.599 24.996 ( 1.953 -2.942 0.000) 3.531 25.189 ( -4.048 4.443 -0.000) 6.011 ======================= Grid point 156 (52/102) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 8.482 -43.374 3.419) 44.328 2.399 ( 18.008 -11.354 19.325) 28.752 3.389 ( -1.868 5.274 8.447) 10.132 3.534 ( 13.243 -9.263 4.418) 16.754 3.798 ( 22.083 -0.688 1.089) 22.120 3.948 ( -4.410 -0.851 2.002) 4.918 4.176 ( -5.148 -6.438 1.103) 8.316 4.314 ( 14.890 -6.115 1.652) 16.181 4.607 ( 0.433 3.146 -14.048) 14.403 4.875 ( -8.976 13.183 -3.665) 16.365 5.248 ( -4.074 4.809 2.836) 6.912 5.361 ( -10.967 3.847 3.409) 12.112 6.945 ( 2.010 -1.925 -4.632) 5.404 7.014 ( 4.499 -1.624 -4.412) 6.508 7.092 ( 4.720 -1.107 2.437) 5.426 7.233 ( 4.290 1.547 8.798) 9.910 7.342 ( 1.734 -1.494 7.590) 7.927 7.885 ( -7.752 3.015 3.236) 8.925 8.194 ( -4.821 4.200 0.358) 6.404 8.708 ( -14.307 6.441 -0.530) 15.699 10.047 ( 2.297 -10.373 2.577) 10.932 10.843 ( -18.801 2.910 -0.576) 19.034 11.783 ( 9.903 2.099 -5.717) 11.626 12.186 ( 2.872 7.699 -2.724) 8.657 12.370 ( 11.540 -8.897 -11.466) 18.542 13.172 ( -8.747 2.985 -18.749) 20.903 13.610 ( 5.980 -2.459 14.892) 16.235 14.061 ( -6.449 4.750 22.232) 23.631 22.207 ( 0.254 0.552 0.707) 0.932 22.432 ( -5.165 6.642 0.252) 8.418 23.318 ( 0.078 -15.849 -2.418) 16.032 23.940 ( -11.473 -7.832 -8.280) 16.173 24.515 ( 10.487 2.889 -12.828) 16.819 24.890 ( -0.186 -1.236 -1.562) 2.000 25.056 ( -2.136 2.813 0.216) 3.538 25.425 ( 2.422 10.186 15.976) 19.101 ======================= Grid point 157 (53/102) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 8.075 -30.003 15.020) 34.511 2.655 ( 16.964 -4.128 25.223) 30.676 3.300 ( 9.163 -7.538 -6.274) 13.421 3.680 ( -10.817 3.485 1.596) 11.476 3.889 ( 14.439 0.121 2.853) 14.719 3.970 ( 24.590 -2.803 17.455) 30.285 4.148 ( -2.892 -0.791 -0.656) 3.069 4.317 ( 5.858 -1.475 -11.927) 13.369 4.420 ( -2.659 -3.454 13.599) 14.281 4.908 ( -14.017 8.139 -11.784) 20.039 5.355 ( -2.567 2.390 4.202) 5.474 5.476 ( -1.268 1.077 6.819) 7.019 6.801 ( 2.724 -1.378 -11.088) 11.500 6.932 ( 6.009 -1.372 -2.727) 6.739 7.106 ( 2.206 -1.280 1.127) 2.789 7.417 ( 3.806 2.681 9.040) 10.168 7.459 ( -2.350 -0.405 7.550) 7.917 7.976 ( -6.952 0.308 5.765) 9.037 8.263 ( -8.190 4.044 0.027) 9.134 8.771 ( -11.771 3.601 -0.268) 12.312 10.006 ( 1.591 -5.004 5.914) 7.909 10.865 ( -13.421 1.386 -0.221) 13.494 11.637 ( 6.078 -0.181 -14.329) 15.566 12.120 ( 8.928 -3.459 -4.587) 10.616 12.211 ( 2.344 3.147 -6.959) 7.989 12.899 ( -6.640 1.317 -18.584) 19.778 13.874 ( 4.369 -0.865 19.456) 19.959 14.471 ( -6.477 3.584 21.281) 22.532 22.238 ( -0.534 0.946 1.699) 2.017 22.541 ( -6.464 6.707 1.694) 9.467 23.095 ( 0.916 -9.997 -2.604) 10.371 23.640 ( 0.269 -6.516 -15.804) 17.097 24.335 ( 3.852 0.323 -11.723) 12.344 24.869 ( -1.243 -1.041 0.638) 1.742 25.063 ( -2.892 1.092 -1.716) 3.535 25.813 ( 1.691 7.069 15.435) 17.060 ======================= Grid point 158 (54/102) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 6.644 -0.000 19.667) 20.759 3.019 ( 16.905 -0.000 22.403) 28.065 3.082 ( 4.192 0.000 -13.282) 13.928 3.685 ( -9.837 0.000 -2.425) 10.131 3.858 ( 10.892 -0.000 -1.137) 10.951 4.085 ( 3.475 0.000 -10.805) 11.350 4.124 ( 0.640 0.000 -1.518) 1.647 4.355 ( 14.044 -0.000 26.344) 29.854 4.703 ( -7.308 0.000 4.687) 8.682 4.862 ( -2.036 -0.000 14.612) 14.753 5.440 ( -1.504 -0.000 4.422) 4.671 5.568 ( 0.159 -0.000 3.014) 3.018 6.575 ( 3.835 0.000 -15.288) 15.762 6.893 ( 4.484 -0.000 -1.238) 4.651 7.067 ( -3.628 0.000 -6.007) 7.018 7.489 ( -5.352 0.000 0.228) 5.357 7.612 ( 8.369 -0.000 9.578) 12.719 8.075 ( -5.102 0.000 6.345) 8.142 8.285 ( -9.540 0.000 -0.962) 9.588 8.798 ( -7.508 0.000 0.434) 7.520 10.084 ( 1.010 -0.000 7.726) 7.792 10.879 ( -7.385 0.000 0.786) 7.427 11.397 ( 3.291 0.000 -13.780) 14.167 12.063 ( 5.614 -0.000 -0.845) 5.677 12.108 ( 1.573 0.000 -8.283) 8.431 12.648 ( -4.899 0.000 -13.938) 14.774 14.146 ( 1.960 -0.000 15.027) 15.154 14.796 ( -5.006 -0.000 15.979) 16.745 22.277 ( -0.831 -0.000 2.080) 2.240 22.648 ( -7.760 0.000 4.419) 8.930 22.982 ( 1.778 -0.000 -2.192) 2.822 23.319 ( 6.539 0.000 -17.196) 18.397 24.178 ( 0.659 0.000 -7.948) 7.975 24.871 ( -1.294 0.000 0.230) 1.314 25.046 ( -2.270 0.000 -1.268) 2.600 26.068 ( 0.709 -0.000 10.353) 10.377 ======================= Grid point 164 (55/102) ======================= q-point: ( 0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 9.804 -7.320 0.000) 12.235 2.745 ( -7.320 9.804 -0.000) 12.235 3.374 ( -3.129 -29.606 0.000) 29.771 3.374 ( -29.606 -3.129 -0.000) 29.771 4.108 ( 8.421 3.347 0.000) 9.061 4.108 ( 3.347 8.421 -0.000) 9.061 4.245 ( 3.243 2.648 0.000) 4.186 4.245 ( 2.648 3.243 0.000) 4.186 4.832 ( 14.478 -14.933 0.000) 20.799 4.832 ( -14.933 14.478 -0.000) 20.799 4.925 ( 6.462 -0.792 0.000) 6.510 4.925 ( -0.792 6.462 0.000) 6.510 7.054 ( 0.194 -1.145 0.000) 1.161 7.054 ( -1.145 0.194 0.000) 1.161 7.140 ( 1.948 0.759 0.000) 2.090 7.140 ( 0.759 1.948 0.000) 2.090 7.529 ( 9.851 -4.548 0.000) 10.850 7.529 ( -4.548 9.851 -0.000) 10.850 8.316 ( 4.298 -8.824 0.000) 9.815 8.316 ( -8.824 4.298 -0.000) 9.815 10.470 ( 1.423 -13.463 0.000) 13.538 10.470 ( -13.463 1.423 -0.000) 13.538 11.938 ( 7.876 4.698 0.000) 9.171 11.938 ( 4.698 7.876 0.000) 9.171 13.000 ( 6.117 -8.458 0.000) 10.439 13.000 ( -8.458 6.117 0.000) 10.439 13.644 ( 2.639 -2.335 0.000) 3.523 13.644 ( -2.335 2.639 0.000) 3.523 22.245 ( 3.013 -2.162 0.000) 3.709 22.245 ( -2.162 3.013 -0.000) 3.709 23.872 ( -9.045 -14.849 0.000) 17.387 23.872 ( -14.849 -9.045 0.000) 17.387 24.728 ( 10.811 9.779 0.000) 14.578 24.728 ( 9.779 10.811 0.000) 14.578 25.080 ( 0.243 -1.022 0.000) 1.050 25.080 ( -1.022 0.243 0.000) 1.050 ======================= Grid point 166 (56/102) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 10.567 -29.470 1.298) 31.334 2.775 ( 6.424 -14.195 13.960) 20.920 3.157 ( -14.662 2.800 6.277) 16.193 3.518 ( -26.212 3.762 13.102) 29.544 3.945 ( 13.275 -15.209 -2.348) 20.323 4.173 ( 18.862 -0.244 1.583) 18.930 4.302 ( 0.922 1.321 -0.491) 1.684 4.356 ( -10.406 9.453 -4.867) 14.878 4.652 ( 9.632 -1.083 -1.733) 9.847 4.712 ( 3.123 -0.551 -13.800) 14.160 5.079 ( -6.602 8.067 4.679) 11.426 5.177 ( -0.528 7.657 10.548) 13.045 7.000 ( 1.330 -2.349 -3.211) 4.195 7.047 ( -0.403 0.375 -2.216) 2.284 7.129 ( 0.293 -0.310 0.215) 0.477 7.266 ( 4.438 3.601 8.293) 10.071 7.473 ( 9.445 -4.101 2.209) 10.531 7.720 ( -3.856 9.751 4.272) 11.322 8.174 ( 0.325 -6.771 -1.159) 6.877 8.424 ( -11.765 6.355 1.789) 13.491 10.250 ( 1.888 -13.750 0.694) 13.896 10.548 ( -16.946 2.257 3.003) 17.358 11.886 ( 9.290 3.647 -9.090) 13.499 12.109 ( 4.316 8.942 0.315) 9.935 12.653 ( 7.471 -10.604 -15.981) 20.583 12.979 ( -8.222 6.374 -15.993) 19.079 13.744 ( 6.010 -4.555 17.109) 18.698 13.901 ( -5.832 5.668 19.365) 21.004 22.224 ( 1.916 -1.118 0.411) 2.256 22.297 ( -3.228 4.237 0.254) 5.332 23.520 ( -4.016 -14.839 -7.083) 16.926 23.854 ( -15.820 -9.198 2.855) 18.521 24.598 ( 10.017 6.504 -18.134) 21.713 24.913 ( 2.702 0.870 -0.230) 2.848 24.994 ( -2.708 0.704 -1.671) 3.259 25.345 ( 6.251 9.476 16.684) 20.180 ======================= Grid point 167 (57/102) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 7.261 -39.244 9.337) 40.988 2.929 ( 10.418 -6.561 21.184) 24.502 3.309 ( -19.398 5.434 1.852) 20.230 3.624 ( -4.067 -11.951 -6.689) 14.287 3.846 ( -3.900 3.748 7.802) 9.494 4.147 ( 5.223 -3.470 -3.582) 7.221 4.305 ( 12.008 -3.178 10.951) 16.560 4.430 ( -0.240 -0.545 -0.176) 0.621 4.461 ( -2.880 3.641 -8.443) 9.635 4.710 ( 9.182 2.937 2.869) 10.058 5.255 ( -3.424 5.981 5.215) 8.643 5.417 ( 0.471 5.588 7.582) 9.430 6.868 ( 2.270 -3.155 -9.037) 9.837 6.998 ( 1.297 0.316 -4.318) 4.520 7.112 ( -2.672 -1.263 -1.770) 3.445 7.466 ( 2.667 -1.809 2.573) 4.124 7.484 ( 9.410 3.635 11.023) 14.942 7.916 ( -0.263 4.669 7.524) 8.859 8.105 ( -6.663 -0.674 -1.006) 6.772 8.549 ( -9.893 5.726 3.246) 11.883 10.126 ( 1.274 -9.056 4.024) 9.991 10.625 ( -16.521 0.898 3.911) 17.002 11.738 ( 8.675 2.106 -14.966) 17.427 12.176 ( 2.971 5.180 -4.579) 7.525 12.310 ( 5.956 -6.533 -10.672) 13.858 12.779 ( -5.625 3.208 -16.320) 17.558 13.977 ( 6.281 -2.916 18.011) 19.296 14.315 ( -5.876 6.015 21.334) 22.931 22.230 ( 0.731 -0.014 1.260) 1.457 22.375 ( -4.569 5.468 1.288) 7.242 23.243 ( -1.600 -10.685 -5.491) 12.120 23.694 ( -9.406 -10.731 -5.373) 15.247 24.383 ( 5.026 2.184 -15.524) 16.463 24.887 ( 1.108 -1.504 -0.248) 1.884 25.002 ( -2.538 2.157 -1.373) 3.603 25.744 ( 6.319 10.259 14.741) 19.039 ======================= Grid point 168 (58/102) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 6.168 -24.890 16.154) 30.307 3.138 ( 6.274 -1.995 -5.469) 8.559 3.273 ( 3.607 -5.717 10.959) 12.876 3.478 ( -16.135 -0.270 0.807) 16.158 3.891 ( -18.723 2.461 -4.726) 19.467 4.027 ( 5.690 -3.173 -4.188) 7.745 4.155 ( 2.528 -2.710 -12.596) 13.130 4.484 ( 1.281 1.800 6.976) 7.318 4.765 ( 12.324 -0.543 8.951) 15.241 4.863 ( 5.581 1.791 28.832) 29.422 5.401 ( -1.281 3.126 5.035) 6.063 5.560 ( 1.233 2.528 3.363) 4.384 6.639 ( 3.034 -2.234 -14.341) 14.827 6.927 ( -0.504 2.083 -6.954) 7.277 7.019 ( -3.558 -3.371 -6.129) 7.847 7.468 ( 0.472 -1.091 1.173) 1.670 7.695 ( 6.657 3.061 7.512) 10.493 8.072 ( 3.338 -1.836 9.256) 10.009 8.124 ( -8.547 4.412 0.613) 9.638 8.675 ( -6.368 3.592 4.108) 8.386 10.124 ( 0.880 -3.693 6.560) 7.580 10.692 ( -15.813 0.091 3.683) 16.237 11.510 ( 9.565 -0.043 -14.080) 17.022 12.115 ( 1.875 1.873 -8.645) 9.042 12.143 ( 3.014 -2.080 -4.142) 5.529 12.583 ( -3.359 0.900 -11.761) 12.264 14.204 ( 5.082 -0.974 13.771) 14.711 14.700 ( -4.307 4.082 17.620) 18.593 22.261 ( -0.317 0.666 1.921) 2.058 22.492 ( -6.664 5.477 3.610) 9.351 23.052 ( 0.538 -5.595 -4.179) 7.004 23.417 ( -2.214 -8.838 -11.184) 14.426 24.196 ( 1.232 -0.299 -9.674) 9.756 24.873 ( 0.973 -0.491 0.095) 1.094 25.006 ( -2.260 1.091 -0.823) 2.642 26.061 ( 4.923 6.351 10.156) 12.951 ======================= Grid point 169 (59/102) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 4.052 -0.000 13.536) 14.130 2.861 ( 0.431 0.000 -15.699) 15.705 3.428 ( -3.020 0.000 -4.089) 5.083 3.534 ( -4.004 -0.000 12.729) 13.344 3.837 ( -25.661 0.000 -3.170) 25.856 3.949 ( 4.288 -0.000 -3.723) 5.678 3.968 ( 1.799 0.000 -7.817) 8.021 4.639 ( -0.453 -0.000 10.217) 10.227 4.874 ( 12.542 -0.000 9.606) 15.798 5.301 ( 4.986 -0.000 16.024) 16.782 5.494 ( -0.444 -0.000 3.950) 3.975 5.600 ( 1.494 -0.000 -0.098) 1.497 6.429 ( 3.841 0.000 -6.874) 7.874 6.776 ( -7.504 0.000 -14.552) 16.373 6.907 ( 1.626 -0.000 -2.451) 2.941 7.477 ( -0.313 -0.000 0.772) 0.833 7.771 ( -1.734 0.000 -0.254) 1.753 8.179 ( 4.723 -0.000 6.369) 7.929 8.215 ( 0.653 -0.000 5.516) 5.554 8.764 ( -2.935 0.000 3.664) 4.695 10.201 ( 0.405 -0.000 5.288) 5.303 10.741 ( -15.028 0.000 2.468) 15.230 11.337 ( 10.988 -0.000 -7.324) 13.205 12.003 ( 0.708 0.000 -6.618) 6.656 12.074 ( -0.347 0.000 -3.001) 3.021 12.453 ( -0.688 0.000 -5.043) 5.089 14.367 ( 4.517 -0.000 7.331) 8.611 14.955 ( -2.079 -0.000 10.691) 10.891 22.298 ( -0.571 -0.000 1.753) 1.844 22.618 ( -9.150 0.000 6.501) 11.224 22.968 ( 1.259 0.000 -2.248) 2.577 23.147 ( 2.605 0.000 -12.526) 12.794 24.078 ( -0.553 0.000 -4.635) 4.667 24.873 ( 0.987 -0.000 0.278) 1.025 25.009 ( -1.771 0.000 0.203) 1.782 26.226 ( 4.688 -0.000 4.995) 6.850 ======================= Grid point 176 (60/102) ======================= q-point: ( 0.60 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -13.602 -13.602 6.539) 20.318 2.815 ( -13.111 -13.111 4.083) 18.986 3.130 ( -5.227 -5.227 22.240) 23.436 3.552 ( -1.735 -1.735 0.723) 2.558 4.016 ( -7.953 -7.953 -13.772) 17.781 4.119 ( 2.581 2.581 4.153) 5.529 4.297 ( 3.487 3.487 0.730) 4.985 4.420 ( -0.781 -0.781 6.838) 6.926 4.467 ( 1.723 1.723 -5.631) 6.135 4.853 ( 8.150 8.150 3.839) 12.148 5.146 ( 2.347 2.347 6.991) 7.738 5.374 ( 4.701 4.701 8.586) 10.859 6.933 ( -1.024 -1.024 -7.358) 7.499 6.969 ( -0.991 -0.991 -6.126) 6.284 7.107 ( -0.857 -0.857 -1.692) 2.081 7.465 ( 2.851 2.851 5.419) 6.754 7.610 ( 4.838 4.838 6.717) 9.588 7.809 ( 4.107 4.107 3.682) 6.876 8.119 ( -4.323 -4.323 1.126) 6.216 8.406 ( -0.637 -0.637 6.028) 6.095 10.240 ( -5.024 -5.024 1.045) 7.181 10.459 ( -7.558 -7.558 7.126) 12.846 11.789 ( 5.790 5.790 -15.189) 17.255 12.156 ( 4.718 4.718 -3.859) 7.708 12.422 ( -3.143 -3.143 -14.053) 14.739 12.695 ( 0.915 0.915 -13.762) 13.823 14.091 ( 0.370 0.370 15.511) 15.520 14.183 ( 1.745 1.745 23.474) 23.603 22.262 ( 0.444 0.444 0.295) 0.694 22.276 ( 0.304 0.304 1.884) 1.932 23.313 ( -6.250 -6.250 -8.120) 12.003 23.698 ( -12.862 -12.862 0.344) 18.193 24.404 ( 4.028 4.028 -17.003) 17.932 24.935 ( -0.426 -0.426 -1.052) 1.212 24.940 ( 0.905 0.905 -0.926) 1.579 25.715 ( 9.653 9.653 14.452) 19.880 ======================= Grid point 178 (61/102) ======================= q-point: (-0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 5.412 -35.477 12.017) 37.846 2.971 ( -32.866 4.753 8.730) 34.336 3.287 ( 3.640 -8.332 -9.935) 13.468 3.491 ( -2.901 -1.363 15.091) 15.428 3.641 ( -12.933 -5.427 -16.901) 21.963 4.150 ( 7.437 1.186 -5.415) 9.275 4.213 ( -0.244 -3.234 -12.895) 13.297 4.403 ( -3.484 3.625 5.174) 7.215 4.865 ( 1.763 -0.642 32.533) 32.587 5.006 ( 14.402 3.558 7.274) 16.523 5.321 ( -0.259 5.595 6.702) 8.734 5.541 ( 2.827 3.844 4.419) 6.503 6.717 ( 1.584 -3.942 -13.671) 14.316 6.842 ( -4.668 1.823 -11.724) 12.750 7.052 ( -0.192 -2.379 -2.735) 3.630 7.488 ( 0.017 -0.472 -1.042) 1.144 7.759 ( 4.688 -1.962 1.675) 5.351 7.943 ( -1.832 9.726 7.206) 12.242 8.181 ( 5.943 -1.376 9.635) 11.404 8.541 ( -3.649 3.954 6.982) 8.815 10.200 ( -0.268 -5.424 4.269) 6.907 10.499 ( -12.828 -3.096 6.006) 14.498 11.613 ( 7.072 2.837 -13.474) 15.480 12.109 ( 2.198 2.655 -8.249) 8.940 12.198 ( -0.801 -3.089 -8.301) 8.893 12.538 ( -0.461 1.384 -8.869) 8.988 14.295 ( 4.106 -1.298 12.358) 13.087 14.586 ( -0.954 5.353 19.391) 20.139 22.264 ( 1.164 -0.510 1.176) 1.732 22.351 ( -3.639 3.442 3.323) 6.011 23.117 ( -2.025 -4.683 -6.802) 8.503 23.484 ( -9.232 -11.901 -5.101) 15.903 24.213 ( 1.039 0.349 -10.804) 10.859 24.907 ( 2.251 -0.936 -0.326) 2.460 24.956 ( -1.653 2.076 -0.622) 2.726 26.041 ( 8.183 9.098 9.978) 15.789 ======================= Grid point 179 (62/102) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.530 -23.011 10.620) 25.588 2.911 ( 0.413 -5.972 -16.151) 17.224 3.186 ( -33.183 2.360 10.515) 34.890 3.313 ( -17.140 -2.154 -17.512) 24.599 3.749 ( 7.311 1.558 10.782) 13.120 3.960 ( -3.193 -3.382 -12.608) 13.438 4.061 ( 6.668 -1.130 -5.015) 8.420 4.571 ( -7.510 -0.520 14.698) 16.514 5.080 ( 14.731 0.189 5.062) 15.577 5.333 ( 1.046 2.172 12.140) 12.378 5.472 ( 0.223 2.219 4.438) 4.967 5.614 ( 2.289 1.621 0.331) 2.824 6.492 ( 3.258 -1.831 -6.635) 7.615 6.665 ( -5.000 2.581 -11.352) 12.670 6.957 ( 0.563 -3.723 -3.408) 5.079 7.470 ( -0.663 0.428 -0.565) 0.970 7.705 ( -6.266 -1.097 -3.929) 7.477 8.209 ( 6.682 6.391 9.701) 13.402 8.308 ( 8.414 -1.358 8.195) 11.823 8.702 ( -2.405 3.123 6.458) 7.566 10.222 ( 0.241 -2.188 4.441) 4.957 10.543 ( -13.604 -1.661 3.662) 14.186 11.477 ( 8.670 0.790 -6.662) 10.962 12.002 ( 0.734 1.207 -7.449) 7.581 12.063 ( -2.364 -1.361 -5.537) 6.172 12.454 ( 0.797 0.193 -2.879) 2.993 14.442 ( 5.460 -0.069 7.347) 9.154 14.907 ( -0.424 3.748 12.623) 13.175 22.286 ( 0.015 0.513 1.523) 1.607 22.468 ( -6.946 2.972 5.472) 9.329 22.981 ( 0.327 -0.440 -5.483) 5.511 23.230 ( -3.794 -10.171 -7.003) 12.918 24.079 ( -0.642 -0.958 -5.500) 5.619 24.896 ( 1.793 -0.398 0.155) 1.843 24.979 ( -1.297 1.110 0.658) 1.829 26.268 ( 7.383 5.754 5.322) 10.768 ======================= Grid point 180 (63/102) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.626 0.000 -8.846) 8.868 2.738 ( 1.676 -0.000 1.368) 2.163 3.009 ( -25.234 0.000 -18.713) 31.416 3.374 ( -28.008 0.000 10.179) 29.800 3.742 ( -7.731 0.000 -11.095) 13.523 3.849 ( 9.134 -0.000 1.567) 9.268 3.984 ( 4.013 -0.000 -3.301) 5.196 4.840 ( -5.052 -0.000 17.298) 18.021 5.075 ( 3.706 0.000 -14.413) 14.881 5.250 ( 3.939 0.000 -11.467) 12.125 5.547 ( 0.192 -0.000 2.872) 2.879 5.609 ( 2.091 -0.000 -2.119) 2.977 6.332 ( -1.673 0.000 -11.530) 11.651 6.799 ( 6.253 -0.000 20.892) 21.808 6.860 ( -0.956 0.000 -4.132) 4.241 7.489 ( -0.202 -0.000 2.315) 2.324 7.619 ( -8.084 0.000 -5.544) 9.802 8.360 ( 9.389 -0.000 2.875) 9.819 8.420 ( 8.205 -0.000 7.351) 11.016 8.821 ( 0.552 -0.000 6.090) 6.115 10.244 ( 0.014 0.000 -0.632) 0.632 10.570 ( -13.874 0.000 1.397) 13.945 11.429 ( 9.338 -0.000 -0.018) 9.338 11.937 ( -0.317 0.000 -1.639) 1.669 11.984 ( -3.619 0.000 -3.087) 4.757 12.462 ( 2.021 -0.000 3.742) 4.253 14.510 ( 7.442 -0.000 0.755) 7.480 15.068 ( 0.993 -0.000 4.269) 4.383 22.315 ( -0.151 -0.000 0.954) 0.966 22.590 ( -10.926 0.000 7.394) 13.192 22.948 ( 0.499 0.000 -1.769) 1.838 23.007 ( 0.849 0.000 -8.042) 8.086 24.024 ( -1.461 0.000 -0.271) 1.486 24.901 ( 1.598 -0.000 0.935) 1.851 25.006 ( -0.959 -0.000 1.701) 1.953 26.356 ( 7.884 -0.000 0.381) 7.894 ======================= Grid point 188 (64/102) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -15.346 -15.346 8.331) 23.247 2.672 ( -16.892 -16.892 9.316) 25.641 2.991 ( -3.735 -3.735 -17.293) 18.081 3.183 ( -9.253 -9.253 -15.849) 20.553 3.798 ( 5.230 5.230 11.489) 13.664 3.961 ( -4.177 -4.177 -14.099) 15.286 4.132 ( 2.659 2.659 -6.857) 7.820 4.506 ( -5.059 -5.059 16.369) 17.864 5.237 ( 8.135 8.135 3.638) 12.066 5.270 ( 0.871 0.871 10.310) 10.383 5.459 ( 0.911 0.911 5.525) 5.673 5.619 ( 2.333 2.333 0.746) 3.383 6.564 ( 0.847 0.847 -0.958) 1.534 6.576 ( -1.113 -1.113 -15.803) 15.882 6.995 ( -1.954 -1.954 -2.877) 3.989 7.455 ( -0.126 -0.126 -2.522) 2.528 7.667 ( -4.673 -4.673 -3.745) 7.596 8.211 ( 8.511 8.511 11.420) 16.592 8.396 ( 4.076 4.076 7.165) 9.196 8.647 ( 1.042 1.042 8.383) 8.512 10.249 ( -1.484 -1.484 3.398) 3.994 10.448 ( -7.373 -7.373 4.734) 11.452 11.535 ( 4.123 4.123 -6.328) 8.604 11.997 ( 1.202 1.202 -8.125) 8.300 12.055 ( -2.239 -2.239 -6.156) 6.923 12.460 ( 0.687 0.687 -2.121) 2.332 14.489 ( 2.399 2.399 7.286) 8.037 14.870 ( 3.097 3.097 13.524) 14.216 22.288 ( 0.472 0.472 0.528) 0.850 22.389 ( -1.606 -1.606 5.791) 6.221 22.987 ( -0.928 -0.928 -6.721) 6.848 23.279 ( -8.951 -8.951 -4.678) 13.495 24.082 ( -0.966 -0.966 -5.755) 5.915 24.921 ( 0.067 0.067 -0.412) 0.422 24.953 ( 0.945 0.945 1.235) 1.819 26.278 ( 8.152 8.152 5.455) 12.754 ======================= Grid point 189 (65/102) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -0.748 -22.453 -12.515) 25.716 2.593 ( -32.149 -0.870 -16.295) 36.053 2.817 ( 1.572 -6.286 3.097) 7.182 3.059 ( -16.032 0.262 7.470) 17.689 3.668 ( -8.001 -5.283 -13.867) 16.859 3.937 ( 7.007 3.887 -0.710) 8.044 4.045 ( 3.255 -0.193 -5.425) 6.329 4.758 ( -7.841 -3.684 20.614) 22.360 5.072 ( -4.786 -3.280 -31.352) 31.885 5.357 ( 10.613 3.347 0.937) 11.167 5.522 ( 0.381 3.405 3.125) 4.637 5.629 ( 1.848 1.067 -2.294) 3.133 6.321 ( -1.439 -1.231 -12.718) 12.858 6.784 ( 3.438 5.412 7.675) 10.001 6.956 ( 1.839 -5.008 12.772) 13.841 7.432 ( -2.432 3.243 -1.990) 4.515 7.566 ( -4.591 -4.377 -1.123) 6.442 8.450 ( 8.254 5.078 5.399) 11.093 8.516 ( 6.143 1.601 4.148) 7.583 8.814 ( 1.195 2.174 9.332) 9.656 10.255 ( -0.157 -1.374 -0.742) 1.570 10.420 ( -9.894 -3.265 0.655) 10.439 11.524 ( 4.765 1.098 -0.032) 4.890 11.919 ( -0.035 1.249 -3.041) 3.287 11.959 ( -2.229 -1.750 -2.389) 3.706 12.483 ( 1.193 0.350 4.189) 4.370 14.600 ( 6.473 2.291 2.578) 7.334 15.065 ( 2.128 2.899 5.278) 6.387 22.306 ( 0.248 0.905 0.621) 1.125 22.464 ( -7.378 -2.016 6.227) 9.863 22.902 ( 1.233 3.193 -5.248) 6.265 23.092 ( -4.311 -8.618 -3.527) 10.262 24.014 ( -1.407 -1.155 -0.693) 1.948 24.921 ( 0.546 -0.449 1.106) 1.313 24.992 ( 0.092 0.874 1.678) 1.894 26.429 ( 8.189 5.573 1.177) 9.975 ======================= Grid point 190 (66/102) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -2.653 0.000 -22.350) 22.507 2.281 ( -32.091 0.000 -20.730) 38.204 2.868 ( 2.556 -0.000 6.852) 7.314 3.211 ( -17.678 0.000 8.342) 19.548 3.423 ( -12.083 0.000 -10.636) 16.097 3.937 ( 4.724 -0.000 -2.620) 5.402 3.988 ( 2.118 -0.000 -0.403) 2.156 4.397 ( -10.286 0.000 -45.852) 46.991 4.920 ( -5.967 0.000 -0.904) 6.035 5.404 ( 12.809 -0.000 2.484) 13.048 5.578 ( 1.379 -0.000 -2.014) 2.441 5.595 ( 0.565 -0.000 -0.520) 0.767 6.226 ( -2.809 0.000 4.197) 5.050 6.758 ( -2.603 0.000 -5.264) 5.872 7.186 ( 8.267 -0.000 6.580) 10.566 7.435 ( -5.214 0.000 -5.598) 7.650 7.646 ( 2.443 -0.000 20.561) 20.705 8.509 ( 8.915 -0.000 -0.425) 8.925 8.582 ( 4.716 -0.000 1.203) 4.867 8.983 ( 4.169 -0.000 9.703) 10.561 10.180 ( -0.254 0.000 -6.940) 6.944 10.380 ( -13.151 0.000 -2.156) 13.326 11.559 ( 3.469 -0.000 3.625) 5.018 11.930 ( -0.531 -0.000 1.220) 1.331 11.949 ( -0.859 -0.000 4.143) 4.231 12.603 ( 1.702 -0.000 10.700) 10.835 14.616 ( 11.702 -0.000 -3.623) 12.250 15.100 ( 2.305 -0.000 -3.619) 4.291 22.321 ( 0.186 -0.000 -0.270) 0.328 22.533 ( -13.003 0.000 6.143) 14.381 22.927 ( 0.817 0.000 -3.463) 3.558 22.930 ( -0.119 0.000 -0.706) 0.716 24.035 ( -1.579 -0.000 4.471) 4.742 24.948 ( 1.028 -0.000 2.732) 2.919 25.024 ( -0.637 -0.000 1.609) 1.731 26.455 ( 9.653 -0.000 -3.395) 10.232 ======================= Grid point 199 (67/102) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.852 -10.852 -22.571) 27.295 1.907 ( -13.785 -13.785 -21.626) 29.115 2.932 ( -0.030 -0.030 5.022) 5.023 3.040 ( -5.986 -5.986 9.926) 13.046 3.336 ( -8.663 -8.663 -11.943) 17.110 3.979 ( 3.140 3.140 -0.696) 4.496 4.000 ( 0.895 0.895 -4.491) 4.666 4.321 ( -6.015 -6.015 -48.018) 48.765 4.874 ( -3.434 -3.434 0.622) 4.896 5.507 ( 6.011 6.011 1.707) 8.671 5.578 ( 1.188 1.188 2.197) 2.766 5.596 ( 0.842 0.842 -4.076) 4.246 6.206 ( -1.979 -1.979 3.516) 4.494 6.737 ( -1.050 -1.050 -5.882) 6.066 7.293 ( 3.378 3.378 4.556) 6.601 7.353 ( 0.470 0.470 -4.457) 4.507 7.666 ( -0.747 -0.747 24.843) 24.866 8.586 ( 4.221 4.221 0.474) 5.988 8.602 ( 2.981 2.981 -0.165) 4.219 9.012 ( 2.608 2.608 11.064) 11.662 10.188 ( -0.877 -0.877 -6.777) 6.889 10.273 ( -6.411 -6.411 -4.587) 10.161 11.582 ( 0.439 0.439 2.275) 2.359 11.927 ( 0.688 0.688 3.415) 3.551 11.944 ( -0.690 -0.690 3.128) 3.276 12.615 ( 0.716 0.716 10.899) 10.946 14.710 ( 6.766 6.766 -0.537) 9.583 15.112 ( 2.153 2.153 -3.450) 4.602 22.314 ( 0.728 0.728 -0.362) 1.092 22.441 ( -7.645 -7.645 3.999) 11.527 22.873 ( 3.678 3.678 -2.377) 5.719 22.994 ( -4.582 -4.582 -1.277) 6.604 24.025 ( -1.058 -1.058 4.382) 4.630 24.956 ( -0.394 -0.394 3.338) 3.385 25.018 ( 0.406 0.406 0.919) 1.084 26.525 ( 6.327 6.327 -2.281) 9.234 ======================= Grid point 200 (68/102) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -2.078 0.000 -25.770) 25.853 1.513 ( -26.580 0.000 -23.522) 35.493 2.912 ( 1.367 0.000 -8.303) 8.415 3.120 ( -6.583 0.000 -0.920) 6.647 3.153 ( -9.550 0.000 -0.104) 9.551 3.364 ( -8.978 0.000 -55.277) 56.002 4.066 ( 0.911 -0.000 8.326) 8.375 4.073 ( 0.059 -0.000 7.608) 7.608 4.687 ( -2.548 0.000 -18.498) 18.673 5.531 ( 0.745 0.000 -4.572) 4.633 5.560 ( 4.952 -0.000 -0.384) 4.967 5.592 ( 0.221 0.000 -2.049) 2.061 6.377 ( -1.946 -0.000 17.350) 17.458 6.638 ( -2.294 0.000 -5.096) 5.589 7.255 ( 4.195 -0.000 -4.696) 6.297 7.299 ( -1.907 0.000 -5.485) 5.807 8.135 ( 8.722 -0.000 27.116) 28.484 8.588 ( 5.286 -0.000 -2.302) 5.765 8.613 ( 1.830 -0.000 -2.207) 2.867 9.196 ( 3.485 -0.000 9.297) 9.928 10.040 ( -0.352 0.000 -9.579) 9.585 10.136 ( -13.155 0.000 -5.285) 14.177 11.611 ( -1.166 0.000 1.522) 1.917 12.013 ( 2.056 -0.000 6.524) 6.841 12.031 ( -0.649 -0.000 7.169) 7.199 12.844 ( 1.041 -0.000 17.467) 17.498 14.738 ( 15.075 -0.000 -4.350) 15.690 15.007 ( 1.723 0.000 -12.013) 12.135 22.310 ( 0.222 0.000 -1.458) 1.474 22.415 ( -13.754 0.000 2.732) 14.022 22.917 ( 1.004 -0.000 0.021) 1.004 22.925 ( -0.279 -0.000 0.510) 0.581 24.120 ( -0.958 -0.000 8.401) 8.455 25.013 ( 1.109 -0.000 2.384) 2.630 25.032 ( -1.468 0.000 2.346) 2.768 26.515 ( 8.843 -0.000 -5.490) 10.409 ======================= Grid point 210 (69/102) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.000 0.000 -27.447) 27.447 0.887 ( -0.000 0.000 -27.447) 27.447 2.258 ( -0.000 0.000 -68.938) 68.938 2.728 ( -0.000 0.000 -10.898) 10.898 3.123 ( 0.000 -0.000 1.163) 1.163 3.123 ( 0.000 -0.000 1.163) 1.163 4.272 ( 0.000 -0.000 16.405) 16.405 4.272 ( 0.000 -0.000 16.405) 16.405 4.339 ( -0.000 0.000 -21.061) 21.061 5.468 ( -0.000 0.000 -3.854) 3.854 5.520 ( -0.000 0.000 -7.546) 7.546 5.520 ( -0.000 0.000 -7.546) 7.546 6.550 ( -0.000 0.000 -3.727) 3.727 6.644 ( 0.000 -0.000 16.420) 16.420 7.206 ( -0.000 0.000 -4.806) 4.806 7.206 ( -0.000 0.000 -4.806) 4.806 8.581 ( -0.000 0.000 -2.993) 2.993 8.581 ( -0.000 0.000 -2.993) 2.993 8.650 ( 0.000 -0.000 24.191) 24.191 9.348 ( 0.000 -0.000 6.606) 6.606 9.894 ( -0.000 0.000 -8.042) 8.042 9.894 ( -0.000 0.000 -8.042) 8.042 11.607 ( -0.000 0.000 -0.145) 0.145 12.140 ( 0.000 -0.000 6.732) 6.732 12.140 ( 0.000 -0.000 6.732) 6.732 13.173 ( 0.000 -0.000 23.250) 23.250 14.770 ( -0.000 0.000 -19.564) 19.564 14.854 ( -0.000 0.000 -0.520) 0.520 22.284 ( -0.000 0.000 -1.853) 1.853 22.284 ( -0.000 0.000 -1.853) 1.853 22.937 ( 0.000 -0.000 1.123) 1.123 22.937 ( 0.000 -0.000 1.123) 1.123 24.262 ( 0.000 -0.000 9.998) 9.998 24.996 ( -0.000 0.000 -2.796) 2.796 25.111 ( 0.000 -0.000 6.280) 6.280 26.511 ( -0.000 0.000 -4.982) 4.982 ======================= Grid point 233 (70/102) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 10.466 10.466 9.607) 17.646 3.400 ( 5.008 5.008 5.546) 8.996 3.521 ( 1.429 1.429 2.422) 3.155 3.612 ( 15.211 15.211 -0.188) 21.513 3.894 ( -1.511 -1.511 -4.249) 4.756 3.929 ( 11.796 11.796 -9.258) 19.079 4.239 ( 4.303 4.303 -2.126) 6.447 4.529 ( -15.625 -15.625 0.085) 22.097 5.001 ( 5.632 5.632 33.076) 34.022 5.126 ( -0.968 -0.968 12.582) 12.657 5.271 ( -2.839 -2.839 0.359) 4.030 5.414 ( -3.221 -3.221 6.610) 8.028 6.484 ( 4.848 4.848 -11.993) 13.815 6.760 ( -3.134 -3.134 -14.479) 15.143 7.278 ( 4.417 4.417 -2.919) 6.896 7.382 ( 2.094 2.094 6.495) 7.138 7.622 ( -1.218 -1.218 4.845) 5.142 7.859 ( -10.760 -10.760 -2.472) 15.416 8.308 ( 0.675 0.675 2.496) 2.672 8.565 ( -6.637 -6.637 -1.030) 9.443 10.418 ( 4.960 4.960 1.561) 7.187 10.695 ( -2.677 -2.677 -0.712) 3.853 11.521 ( 2.871 2.871 -7.391) 8.433 11.751 ( -3.815 -3.815 -2.470) 5.933 12.210 ( 4.871 4.871 0.169) 6.891 12.449 ( -3.396 -3.396 -5.885) 7.595 14.368 ( 2.620 2.620 8.652) 9.412 14.683 ( -7.134 -7.134 5.527) 11.504 22.222 ( -0.008 -0.008 0.715) 0.715 22.344 ( -4.536 -4.536 0.037) 6.414 23.284 ( 6.772 6.772 -8.335) 12.696 23.468 ( 0.764 0.764 -3.118) 3.300 24.553 ( 13.904 13.904 2.517) 19.823 24.956 ( -0.769 -0.769 -2.020) 2.294 24.992 ( 0.643 0.643 -3.329) 3.451 25.517 ( -15.800 -15.800 6.296) 23.214 ======================= Grid point 234 (71/102) ======================= q-point: (-0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 9.484 0.000 -0.000) 9.484 3.366 ( -6.640 0.000 0.000) 6.640 3.665 ( 7.318 0.000 0.000) 7.318 3.685 ( 31.844 -0.000 -0.000) 31.844 3.832 ( -3.898 0.000 0.000) 3.898 4.112 ( 2.342 0.000 0.000) 2.342 4.137 ( 1.083 -0.000 0.000) 1.083 4.383 ( -14.116 -0.000 0.000) 14.116 5.187 ( 1.415 0.000 -0.000) 1.415 5.230 ( -4.245 0.000 0.000) 4.245 5.423 ( 2.392 0.000 -0.000) 2.392 5.456 ( -1.518 0.000 0.000) 1.518 6.446 ( 1.754 0.000 0.000) 1.754 6.520 ( -2.718 0.000 0.000) 2.718 7.291 ( 11.504 0.000 0.000) 11.504 7.518 ( -0.065 0.000 0.000) 0.065 7.619 ( -2.109 0.000 0.000) 2.109 7.736 ( -13.823 -0.000 -0.000) 13.823 8.338 ( 4.507 0.000 0.000) 4.507 8.507 ( -7.407 0.000 -0.000) 7.407 10.463 ( 7.272 0.000 0.000) 7.272 10.672 ( -7.154 0.000 0.000) 7.154 11.474 ( 8.664 0.000 0.000) 8.664 11.710 ( -7.762 0.000 0.000) 7.762 12.254 ( 5.243 -0.000 0.000) 5.243 12.374 ( -2.981 0.000 0.000) 2.981 14.467 ( 4.535 0.000 0.000) 4.535 14.662 ( -9.150 0.000 0.000) 9.150 22.232 ( 0.518 0.000 0.000) 0.518 22.307 ( -5.031 0.000 0.000) 5.031 23.267 ( 8.732 -0.000 0.000) 8.732 23.445 ( -3.051 0.000 0.000) 3.051 24.724 ( 24.673 -0.000 0.000) 24.673 24.905 ( 1.303 0.000 0.000) 1.303 24.958 ( -1.437 0.000 0.000) 1.437 25.445 ( -24.370 0.000 0.000) 24.370 ======================= Grid point 240 (72/102) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 13.046 -0.000 0.000) 13.046 1.728 ( 27.764 -0.000 0.000) 27.764 3.030 ( 40.489 -0.000 0.000) 40.489 3.125 ( 15.294 -0.000 0.000) 15.294 3.694 ( 17.092 -0.000 0.000) 17.092 3.726 ( -3.760 0.000 -0.000) 3.760 3.919 ( 21.101 -0.000 0.000) 21.101 4.413 ( -21.266 0.000 -0.000) 21.266 4.838 ( 4.428 -0.000 0.000) 4.428 5.113 ( -3.081 0.000 -0.000) 3.081 5.339 ( -2.892 0.000 -0.000) 2.892 5.670 ( -23.223 0.000 -0.000) 23.223 6.840 ( 11.057 -0.000 0.000) 11.057 6.971 ( 1.250 -0.000 0.000) 1.250 6.971 ( 3.248 -0.000 0.000) 3.248 7.179 ( 2.240 -0.000 0.000) 2.240 7.193 ( -0.365 0.000 -0.000) 0.365 8.041 ( -12.547 0.000 -0.000) 12.547 8.365 ( -5.281 0.000 -0.000) 5.281 9.018 ( -14.241 0.000 -0.000) 14.241 9.834 ( 2.192 -0.000 0.000) 2.192 11.212 ( -23.785 0.000 -0.000) 23.785 11.703 ( 11.571 -0.000 0.000) 11.571 12.143 ( 14.110 -0.000 0.000) 14.110 12.326 ( 2.096 -0.000 0.000) 2.096 13.202 ( 6.147 -0.000 0.000) 6.147 13.729 ( -8.034 0.000 -0.000) 8.034 13.899 ( -3.627 0.000 -0.000) 3.627 22.223 ( -0.802 0.000 -0.000) 0.802 22.681 ( -7.836 0.000 -0.000) 7.836 23.019 ( 2.124 -0.000 0.000) 2.124 24.096 ( -13.896 0.000 -0.000) 13.896 24.449 ( 16.346 -0.000 0.000) 16.346 24.919 ( 0.413 -0.000 0.000) 0.413 25.108 ( -0.887 0.000 -0.000) 0.887 25.431 ( -2.503 0.000 -0.000) 2.503 ======================= Grid point 246 (73/102) ======================= q-point: (-0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -2.891 -2.891 -3.709) 5.520 3.220 ( 2.891 2.891 -3.709) 5.520 3.754 ( -2.657 -2.657 -0.692) 3.820 3.754 ( 2.657 2.657 -0.692) 3.820 4.080 ( -4.739 -4.739 0.551) 6.725 4.080 ( 4.739 4.739 0.551) 6.725 4.212 ( -0.718 -0.718 6.051) 6.135 4.212 ( 0.718 0.718 6.051) 6.135 5.076 ( -6.558 -6.558 -18.913) 21.065 5.076 ( 6.558 6.558 -18.913) 21.065 5.312 ( -2.899 -2.899 -9.107) 9.987 5.312 ( 2.899 2.899 -9.107) 9.987 6.631 ( -0.206 -0.206 15.277) 15.280 6.631 ( 0.206 0.206 15.277) 15.280 7.413 ( -8.524 -8.524 -4.822) 12.983 7.413 ( 8.524 8.524 -4.822) 12.983 7.620 ( -3.953 -3.953 0.707) 5.635 7.620 ( 3.953 3.953 0.707) 5.635 8.396 ( -3.639 -3.639 -1.794) 5.450 8.396 ( 3.639 3.639 -1.794) 5.450 10.569 ( -5.458 -5.458 0.064) 7.720 10.569 ( 5.458 5.458 0.064) 7.720 11.632 ( -7.269 -7.269 4.375) 11.173 11.632 ( 7.269 7.269 4.375) 11.173 12.341 ( -2.446 -2.446 2.638) 4.350 12.341 ( 2.446 2.446 2.638) 4.350 14.494 ( -3.289 -3.289 -6.799) 8.237 14.494 ( 3.289 3.289 -6.799) 8.237 22.250 ( -1.122 -1.122 -0.410) 1.639 22.250 ( 1.122 1.122 -0.410) 1.639 23.428 ( -5.622 -5.622 6.528) 10.287 23.428 ( 5.622 5.622 6.528) 10.287 24.894 ( -0.705 -0.705 -3.430) 3.572 24.894 ( 0.705 0.705 -3.430) 3.572 25.102 ( -17.393 -17.393 0.726) 24.608 25.102 ( 17.393 17.393 0.726) 24.608 ======================= Grid point 251 (74/102) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 9.259 -39.665 0.000) 40.732 2.130 ( 24.182 -4.771 0.000) 24.648 3.362 ( 3.900 3.459 0.000) 5.213 3.384 ( 14.545 -7.252 0.000) 16.253 3.811 ( 23.237 0.927 0.000) 23.255 3.928 ( 1.252 0.800 0.000) 1.486 4.075 ( -17.272 -5.225 -0.000) 18.045 4.233 ( 19.587 -3.624 0.000) 19.920 4.899 ( 5.455 1.492 0.000) 5.655 4.966 ( -6.539 12.516 -0.000) 14.121 5.277 ( -3.717 2.516 -0.000) 4.488 5.353 ( -22.396 -1.920 -0.000) 22.478 6.971 ( 2.289 -0.051 0.000) 2.289 7.041 ( 8.805 -4.276 0.000) 9.788 7.054 ( 5.270 -0.701 0.000) 5.317 7.160 ( 2.800 3.958 -0.000) 4.849 7.246 ( 4.160 -2.171 0.000) 4.692 7.878 ( -9.536 0.495 -0.000) 9.549 8.255 ( -5.750 4.045 -0.000) 7.030 8.782 ( -15.900 3.445 -0.000) 16.268 9.908 ( 2.216 -6.018 0.000) 6.413 10.877 ( -22.587 1.296 -0.000) 22.624 11.859 ( 12.772 1.928 0.000) 12.916 12.315 ( 2.347 5.641 -0.000) 6.110 12.376 ( 13.536 -5.490 0.000) 14.607 13.276 ( -0.110 -2.777 0.000) 2.779 13.606 ( -5.233 2.893 -0.000) 5.980 13.833 ( -4.131 1.574 -0.000) 4.421 22.208 ( -0.501 0.452 -0.000) 0.675 22.520 ( -6.946 5.892 -0.000) 9.108 23.137 ( 1.479 -11.279 0.000) 11.376 23.922 ( -16.213 -4.435 -0.000) 16.809 24.667 ( 15.789 1.321 0.000) 15.844 24.937 ( 1.350 -1.099 0.000) 1.741 25.078 ( -0.711 2.577 -0.000) 2.674 25.359 ( -1.755 5.465 -0.000) 5.739 ======================= Grid point 252 (75/102) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 10.785 -0.000 12.133) 16.233 2.256 ( 21.875 -0.000 18.962) 28.949 3.314 ( 12.822 -0.000 -2.406) 13.046 3.525 ( 4.029 -0.000 16.251) 16.743 3.803 ( 17.639 -0.000 -0.587) 17.649 3.924 ( 16.735 -0.000 -1.792) 16.830 4.097 ( -25.744 0.000 6.407) 26.530 4.221 ( 18.700 -0.000 2.846) 18.915 4.632 ( 3.231 0.000 -21.733) 21.972 5.201 ( -21.928 0.000 -13.574) 25.790 5.292 ( -0.536 -0.000 15.056) 15.066 5.316 ( -2.828 0.000 2.669) 3.888 6.930 ( 1.234 0.000 -5.929) 6.056 6.967 ( 9.361 -0.000 -3.217) 9.898 7.069 ( 5.434 -0.000 1.960) 5.777 7.292 ( 5.618 -0.000 8.405) 10.110 7.301 ( -2.016 -0.000 10.169) 10.367 7.907 ( -9.496 0.000 3.189) 10.017 8.289 ( -6.753 0.000 0.356) 6.762 8.802 ( -14.983 0.000 -0.410) 14.988 9.892 ( 2.072 -0.000 3.431) 4.008 10.881 ( -20.224 0.000 -0.534) 20.232 11.824 ( 10.828 -0.000 -7.156) 12.979 12.215 ( 12.121 -0.000 -11.022) 16.383 12.324 ( 2.136 0.000 -4.075) 4.601 13.199 ( -7.129 0.000 -15.235) 16.820 13.584 ( 4.707 -0.000 12.056) 12.942 14.134 ( -6.683 -0.000 23.805) 24.725 22.220 ( -0.861 0.000 1.118) 1.410 22.574 ( -8.118 0.000 0.801) 8.157 23.042 ( 2.485 -0.000 -1.190) 2.755 23.810 ( -10.021 0.000 -10.001) 14.157 24.559 ( 12.634 -0.000 -13.924) 18.802 24.864 ( -0.619 0.000 -2.201) 2.287 25.094 ( -2.915 0.000 -0.946) 3.065 25.589 ( 0.650 -0.000 18.083) 18.094 ======================= Grid point 261 (76/102) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 6.569 -46.811 0.000) 47.270 2.515 ( 18.888 -6.650 0.000) 20.025 3.207 ( -8.141 8.978 -0.000) 12.119 3.453 ( -37.058 3.167 -0.000) 37.193 3.753 ( 11.338 -14.616 0.000) 18.498 4.168 ( 22.982 0.062 0.000) 22.982 4.274 ( 11.064 -4.972 0.000) 12.130 4.552 ( 15.979 -6.100 0.000) 17.104 4.607 ( -14.641 15.566 -0.000) 21.370 4.945 ( 6.480 3.315 0.000) 7.279 5.097 ( -14.160 3.444 -0.000) 14.573 5.163 ( -4.034 5.955 -0.000) 7.193 7.000 ( 0.998 -1.466 0.000) 1.773 7.076 ( -1.398 0.503 -0.000) 1.486 7.174 ( 5.670 3.424 0.000) 6.624 7.188 ( 5.638 -0.179 0.000) 5.641 7.399 ( 11.578 -3.560 0.000) 12.113 7.772 ( -3.956 2.603 -0.000) 4.735 8.137 ( -3.402 0.511 -0.000) 3.440 8.495 ( -15.836 5.337 -0.000) 16.711 10.060 ( 2.159 -11.302 0.000) 11.506 10.558 ( -19.828 1.861 -0.000) 19.915 12.004 ( 12.730 2.681 0.000) 13.009 12.244 ( 2.622 9.274 -0.000) 9.638 12.661 ( 11.722 -9.737 0.000) 15.239 13.204 ( -10.572 2.844 -0.000) 10.948 13.569 ( 2.761 -0.499 0.000) 2.806 13.745 ( -4.122 2.692 -0.000) 4.923 22.208 ( 0.658 -0.658 0.000) 0.930 22.359 ( -4.993 4.857 -0.000) 6.966 23.339 ( -0.209 -15.702 0.000) 15.704 23.751 ( -17.713 -4.605 -0.000) 18.302 24.838 ( 11.479 1.750 0.000) 11.612 24.998 ( 5.151 -1.405 0.000) 5.339 25.020 ( -0.760 4.080 -0.000) 4.150 25.243 ( -0.343 8.749 -0.000) 8.756 ======================= Grid point 262 (77/102) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 8.259 -34.320 8.170) 36.233 2.561 ( 17.433 -3.487 14.479) 22.928 3.346 ( -20.244 4.859 3.043) 21.041 3.550 ( 8.301 -9.768 -3.818) 13.375 3.644 ( -21.761 3.536 18.740) 28.935 4.153 ( 18.032 -0.502 -1.377) 18.092 4.181 ( 14.282 -3.919 -3.141) 15.139 4.494 ( 16.093 -1.117 0.249) 16.133 4.668 ( 2.932 2.055 -16.578) 16.961 4.836 ( -16.785 6.542 -7.327) 19.448 5.239 ( -4.830 2.573 5.186) 7.539 5.308 ( -0.193 1.021 11.895) 11.941 6.950 ( 1.137 -0.843 -4.708) 4.916 7.073 ( 3.023 1.230 -3.481) 4.772 7.111 ( 1.769 -1.170 -1.179) 2.427 7.351 ( 9.534 1.435 8.952) 13.156 7.388 ( 7.193 -1.141 5.229) 8.965 7.817 ( -3.359 -1.061 5.047) 6.154 8.162 ( -7.521 3.160 -1.295) 8.260 8.570 ( -14.830 3.110 2.012) 15.285 9.961 ( 1.885 -5.755 2.921) 6.723 10.592 ( -19.638 0.763 1.904) 19.745 11.972 ( 11.851 1.939 -8.731) 14.847 12.313 ( 2.794 4.603 -4.485) 7.008 12.414 ( 8.952 -5.332 -12.795) 16.501 13.085 ( -8.008 1.408 -16.341) 18.252 13.663 ( 5.306 -1.309 15.394) 16.335 14.023 ( -6.390 2.554 22.471) 23.501 22.210 ( -0.386 -0.138 0.972) 1.055 22.429 ( -6.863 4.124 0.764) 8.043 23.146 ( 1.499 -9.168 -1.647) 9.435 23.669 ( -13.873 -3.694 -3.781) 14.846 24.719 ( 11.298 2.053 -20.458) 23.461 24.873 ( 0.831 -1.217 -1.025) 1.795 25.045 ( -2.924 1.116 -1.051) 3.301 25.577 ( 3.457 5.199 19.370) 20.351 ======================= Grid point 263 (78/102) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 8.011 -0.000 16.706) 18.527 2.846 ( 13.443 -0.000 23.403) 26.989 3.354 ( 6.561 0.000 -11.062) 12.861 3.440 ( -27.727 0.000 3.488) 27.945 3.954 ( -14.623 0.000 4.904) 15.423 4.075 ( 12.785 -0.000 -5.261) 13.825 4.256 ( 13.229 -0.000 23.004) 26.537 4.372 ( 4.684 0.000 -17.637) 18.249 4.511 ( 10.005 -0.000 2.814) 10.393 4.801 ( -5.406 0.000 -3.044) 6.204 5.339 ( -2.276 -0.000 5.397) 5.858 5.486 ( 1.011 -0.000 8.541) 8.601 6.824 ( 1.979 0.000 -10.409) 10.595 7.008 ( 5.782 -0.000 -4.303) 7.208 7.087 ( -4.032 0.000 -2.929) 4.984 7.421 ( 2.928 -0.000 3.713) 4.728 7.567 ( 8.929 -0.000 11.368) 14.456 7.913 ( -1.023 -0.000 8.365) 8.427 8.164 ( -9.958 0.000 -1.361) 10.050 8.638 ( -10.761 0.000 3.663) 11.367 9.992 ( 1.501 -0.000 5.896) 6.084 10.638 ( -18.267 0.000 3.265) 18.556 11.769 ( 10.780 -0.000 -17.254) 20.345 12.207 ( 6.750 -0.000 -6.813) 9.591 12.259 ( 1.807 0.000 -7.481) 7.696 12.820 ( -5.705 0.000 -16.942) 17.877 13.938 ( 5.641 -0.000 18.553) 19.392 14.407 ( -6.301 -0.000 22.602) 23.464 22.233 ( -0.855 -0.000 1.900) 2.084 22.486 ( -8.014 0.000 2.276) 8.331 23.049 ( 2.434 -0.000 -2.337) 3.375 23.533 ( -7.912 0.000 -9.544) 12.397 24.416 ( 6.041 0.000 -17.749) 18.749 24.866 ( 1.513 -0.000 0.274) 1.538 25.032 ( -2.565 0.000 -1.387) 2.916 25.898 ( 3.766 -0.000 15.931) 16.370 ======================= Grid point 270 (79/102) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -1.853 -22.492 0.000) 22.568 2.670 ( -22.492 -1.853 -0.000) 22.568 2.988 ( -5.404 -5.426 0.000) 7.658 2.988 ( -5.426 -5.404 0.000) 7.658 4.167 ( 12.113 -16.376 0.000) 20.369 4.167 ( -16.376 12.113 -0.000) 20.369 4.373 ( 8.511 4.604 0.000) 9.677 4.373 ( 4.604 8.511 -0.000) 9.677 4.840 ( 10.510 -8.521 0.000) 13.530 4.840 ( -8.521 10.510 -0.000) 13.530 5.022 ( 4.341 3.017 0.000) 5.286 5.022 ( 3.017 4.341 0.000) 5.286 7.039 ( 0.543 -1.759 0.000) 1.841 7.039 ( -1.759 0.543 -0.000) 1.841 7.205 ( 3.523 3.444 0.000) 4.927 7.205 ( 3.444 3.523 0.000) 4.927 7.622 ( 7.346 0.246 0.000) 7.350 7.622 ( 0.246 7.346 0.000) 7.350 8.226 ( -0.790 -7.523 0.000) 7.564 8.226 ( -7.523 -0.790 0.000) 7.564 10.280 ( -1.241 -12.634 0.000) 12.695 10.280 ( -12.634 -1.241 -0.000) 12.695 12.136 ( 8.282 6.033 0.000) 10.247 12.136 ( 6.033 8.282 0.000) 10.247 12.957 ( 1.458 -4.959 0.000) 5.169 12.957 ( -4.959 1.458 0.000) 5.169 13.648 ( 1.236 -1.047 0.000) 1.620 13.648 ( -1.047 1.236 0.000) 1.620 22.253 ( 2.597 -2.699 0.000) 3.745 22.253 ( -2.699 2.597 -0.000) 3.745 23.555 ( -7.528 -12.684 0.000) 14.750 23.555 ( -12.684 -7.528 0.000) 14.750 24.944 ( 4.550 1.505 0.000) 4.793 24.944 ( 1.505 4.550 0.000) 4.793 25.113 ( 4.956 4.291 0.000) 6.556 25.113 ( 4.291 4.956 0.000) 6.556 ======================= Grid point 272 (80/102) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 5.896 -43.796 4.606) 44.430 2.781 ( -13.899 -0.598 12.032) 18.393 2.842 ( -18.884 1.798 -2.257) 19.103 3.380 ( -4.644 6.457 24.019) 25.302 3.881 ( 9.205 -16.989 -3.632) 19.660 4.230 ( -13.554 3.048 -7.547) 15.810 4.381 ( 9.195 0.350 -4.896) 10.423 4.448 ( 4.771 9.078 -2.697) 10.604 4.723 ( 1.297 1.866 -15.023) 15.194 4.814 ( 12.989 -2.481 3.308) 13.631 5.105 ( -4.335 6.331 6.308) 9.933 5.278 ( 2.345 4.286 12.209) 13.150 6.986 ( 1.039 -2.140 -3.445) 4.186 7.039 ( -2.639 1.057 -1.750) 3.338 7.156 ( 3.419 1.648 -4.707) 6.047 7.404 ( 5.906 5.321 9.869) 12.672 7.560 ( 9.823 -2.973 -0.247) 10.266 7.808 ( 1.472 4.946 7.183) 8.844 8.061 ( -4.741 -4.840 -3.612) 7.677 8.331 ( -10.983 3.095 5.580) 12.702 10.100 ( 1.274 -10.451 1.661) 10.659 10.331 ( -15.774 0.449 3.365) 16.135 12.086 ( 9.925 4.415 -10.691) 15.241 12.271 ( 3.242 6.283 -1.754) 7.285 12.603 ( 3.320 -7.181 -17.903) 19.573 12.949 ( -5.297 3.038 -13.016) 14.377 13.767 ( 5.039 -3.294 18.210) 19.180 13.894 ( -5.159 4.174 20.038) 21.108 22.226 ( 1.051 -1.866 0.762) 2.273 22.297 ( -4.390 3.046 0.667) 5.385 23.300 ( -1.225 -10.900 -4.057) 11.695 23.531 ( -14.273 -5.500 0.988) 15.328 24.799 ( 5.547 3.113 -23.647) 24.487 24.923 ( 3.357 -1.220 -0.562) 3.616 24.986 ( -2.053 2.262 -0.804) 3.159 25.555 ( 6.159 7.197 20.525) 22.606 ======================= Grid point 273 (81/102) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 6.255 -28.589 13.124) 32.073 2.905 ( -31.943 2.010 5.628) 32.497 3.037 ( 0.274 -0.987 21.747) 21.771 3.481 ( 2.187 -6.753 -13.001) 14.812 3.793 ( -7.021 -0.212 -1.399) 7.163 4.223 ( 5.532 2.351 -0.353) 6.021 4.335 ( -0.674 -2.668 15.671) 15.911 4.440 ( 2.746 -0.134 -14.294) 14.556 4.510 ( 0.903 3.914 -5.812) 7.065 4.908 ( 15.201 -0.183 8.075) 17.213 5.285 ( -2.166 3.587 6.988) 8.148 5.489 ( 1.741 2.345 8.301) 8.800 6.860 ( 1.391 -1.795 -9.294) 9.567 7.003 ( -4.264 1.462 -5.571) 7.166 7.090 ( 3.582 -0.580 -4.874) 6.076 7.489 ( 3.421 -1.223 -0.708) 3.702 7.665 ( 8.928 2.279 10.058) 13.640 7.977 ( 6.178 -1.817 11.276) 12.985 7.997 ( -9.545 2.632 -1.254) 9.980 8.478 ( -8.904 2.823 7.304) 11.857 10.046 ( 1.192 -4.829 4.986) 7.043 10.395 ( -15.835 -0.174 4.532) 16.472 11.901 ( 9.222 1.844 -17.788) 20.121 12.260 ( 2.029 2.240 -6.680) 7.332 12.304 ( 2.545 -2.824 -10.389) 11.063 12.747 ( -3.300 1.190 -14.614) 15.029 14.028 ( 5.395 -1.612 18.140) 18.994 14.304 ( -4.867 3.086 23.633) 24.325 22.227 ( -0.194 -0.787 1.746) 1.925 22.358 ( -6.232 2.626 1.936) 7.035 23.125 ( 1.185 -5.627 -3.481) 6.722 23.432 ( -11.006 -4.612 -4.286) 12.680 24.481 ( 4.210 1.234 -19.954) 20.431 24.903 ( 2.889 -0.487 -0.473) 2.968 24.994 ( -1.825 1.132 -1.122) 2.423 25.929 ( 5.590 4.504 16.272) 17.785 ======================= Grid point 274 (82/102) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 5.450 -0.000 16.511) 17.387 3.043 ( -34.231 0.000 9.367) 35.490 3.157 ( 1.261 0.000 -19.027) 19.069 3.398 ( 6.572 -0.000 18.999) 20.103 3.628 ( -17.105 0.000 -10.761) 20.208 4.126 ( 7.227 -0.000 -8.275) 10.986 4.177 ( 3.545 0.000 -13.667) 14.120 4.478 ( -3.488 0.000 -0.662) 3.551 4.854 ( 3.142 -0.000 32.351) 32.503 5.045 ( 14.936 -0.000 11.593) 18.907 5.411 ( -0.694 -0.000 5.780) 5.822 5.598 ( 1.774 -0.000 3.623) 4.034 6.657 ( 1.893 0.000 -13.830) 13.959 6.884 ( -6.746 0.000 -11.435) 13.276 7.001 ( 3.599 -0.000 -4.927) 6.101 7.473 ( 1.125 -0.000 -0.109) 1.130 7.746 ( -3.059 0.000 -0.939) 3.200 8.106 ( 1.200 -0.000 9.591) 9.665 8.131 ( 7.861 -0.000 10.866) 13.411 8.616 ( -5.776 0.000 7.301) 9.310 10.110 ( 0.781 -0.000 6.710) 6.755 10.466 ( -15.260 0.000 4.656) 15.954 11.647 ( 8.834 -0.000 -14.251) 16.767 12.146 ( 1.110 0.000 -9.224) 9.290 12.157 ( 0.815 0.000 -7.041) 7.088 12.557 ( -1.155 0.000 -9.844) 9.912 14.271 ( 5.179 -0.000 13.758) 14.701 14.675 ( -3.047 -0.000 19.861) 20.094 22.255 ( -0.707 -0.000 2.302) 2.408 22.423 ( -7.692 0.000 3.555) 8.473 23.036 ( 1.903 0.000 -3.207) 3.729 23.290 ( -6.475 0.000 -8.425) 10.626 24.225 ( 2.248 0.000 -13.294) 13.483 24.894 ( 2.255 -0.000 -0.188) 2.263 24.987 ( -1.589 0.000 -0.605) 1.700 26.178 ( 5.820 -0.000 11.077) 12.513 ======================= Grid point 282 (83/102) ======================= q-point: ( 0.60 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -17.062 -17.062 9.089) 25.785 2.332 ( -18.614 -18.614 8.512) 27.667 3.095 ( 0.482 0.482 21.505) 21.516 3.536 ( -0.452 -0.452 -9.475) 9.496 3.775 ( -8.651 -8.651 -16.844) 20.818 4.171 ( 1.200 1.200 24.173) 24.233 4.406 ( 3.906 3.906 -4.411) 7.069 4.428 ( 1.478 1.478 -7.331) 7.623 4.506 ( 1.025 1.025 -7.503) 7.642 5.062 ( 6.665 6.665 7.191) 11.855 5.208 ( 2.041 2.041 8.452) 8.931 5.482 ( 2.889 2.889 8.384) 9.326 6.901 ( -1.357 -1.357 -8.746) 8.954 6.942 ( -0.967 -0.967 -6.426) 6.570 7.122 ( 2.093 2.093 -4.819) 5.655 7.518 ( 1.410 1.410 -1.309) 2.385 7.786 ( 7.041 7.041 13.258) 16.581 7.822 ( -3.956 -3.956 -5.500) 7.846 8.080 ( 2.106 2.106 10.873) 11.273 8.367 ( -2.143 -2.143 9.221) 9.706 10.125 ( -3.200 -3.200 2.982) 5.420 10.247 ( -6.983 -6.983 6.464) 11.803 11.956 ( 5.422 5.422 -18.124) 19.680 12.255 ( 2.511 2.511 -6.063) 7.026 12.347 ( -2.052 -2.052 -12.526) 12.857 12.711 ( 0.293 0.293 -12.954) 12.960 14.101 ( 0.295 0.295 16.271) 16.277 14.224 ( 1.151 1.151 25.782) 25.834 22.259 ( -0.755 -0.755 1.077) 1.517 22.264 ( -1.104 -1.104 2.261) 2.747 23.188 ( -2.793 -2.793 -5.693) 6.929 23.376 ( -9.346 -9.346 -0.660) 13.234 24.501 ( 2.399 2.399 -20.242) 20.524 24.950 ( 1.356 1.356 -1.188) 2.257 24.951 ( 0.023 0.023 -0.817) 0.817 25.936 ( 6.200 6.200 16.364) 18.565 ======================= Grid point 284 (84/102) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.943 -24.612 14.086) 28.630 2.514 ( -36.509 2.137 11.242) 38.260 3.213 ( 0.595 -5.719 -19.569) 20.396 3.402 ( -12.888 -2.330 -19.718) 23.671 3.501 ( 2.711 0.360 27.202) 27.339 4.176 ( -0.215 -1.376 -17.586) 17.641 4.267 ( 7.279 0.165 -7.693) 10.592 4.405 ( -3.023 2.876 -2.655) 4.946 4.882 ( 1.082 0.145 36.430) 36.447 5.222 ( 11.020 1.718 7.226) 13.289 5.378 ( -0.397 3.258 6.745) 7.502 5.611 ( 1.881 1.593 4.013) 4.710 6.689 ( 0.313 -1.973 -13.192) 13.342 6.801 ( -3.564 0.713 -11.828) 12.374 7.053 ( 2.627 -0.039 -5.934) 6.490 7.490 ( 0.721 -0.188 -1.985) 2.120 7.677 ( -7.065 -2.991 -4.669) 8.981 8.115 ( 6.988 6.672 14.023) 17.029 8.270 ( 7.636 -1.114 11.186) 13.589 8.523 ( -4.639 1.698 9.734) 10.916 10.143 ( 0.346 -3.024 5.673) 6.438 10.293 ( -10.568 -1.963 5.906) 12.265 11.735 ( 4.951 1.599 -14.220) 15.142 12.153 ( 0.960 0.874 -9.301) 9.391 12.164 ( -0.311 -0.578 -9.242) 9.265 12.549 ( 0.199 0.403 -8.282) 8.294 14.334 ( 2.780 -0.213 13.651) 13.933 14.631 ( -0.157 2.229 21.480) 21.596 22.257 ( 0.057 -1.472 2.109) 2.572 22.318 ( -5.058 1.004 3.089) 6.011 23.071 ( 0.661 -1.319 -4.955) 5.170 23.232 ( -7.796 -5.739 -4.276) 10.583 24.247 ( 1.611 0.767 -14.556) 14.665 24.927 ( 1.621 -0.448 -0.753) 1.842 24.963 ( -0.426 1.211 -0.324) 1.324 26.229 ( 5.807 4.058 11.632) 13.619 ======================= Grid point 285 (85/102) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.539 -0.000 8.450) 8.823 2.686 ( -36.109 0.000 6.174) 36.633 2.874 ( 0.557 0.000 -15.307) 15.317 3.100 ( -13.221 0.000 -14.443) 19.580 3.884 ( -3.803 0.000 -17.298) 17.711 3.885 ( 9.017 -0.000 15.828) 18.216 4.143 ( 5.894 -0.000 -7.311) 9.391 4.445 ( -9.425 0.000 9.920) 13.683 5.241 ( 7.202 -0.000 6.210) 9.509 5.376 ( 3.519 -0.000 5.608) 6.621 5.488 ( -0.143 -0.000 4.572) 4.574 5.654 ( 1.789 -0.000 0.278) 1.810 6.521 ( 2.593 0.000 -8.055) 8.463 6.629 ( -2.875 0.000 -2.817) 4.025 6.947 ( 1.480 0.000 -6.539) 6.705 7.470 ( -0.399 0.000 -0.697) 0.803 7.585 ( -7.781 0.000 -4.406) 8.942 8.380 ( 7.640 -0.000 11.714) 13.985 8.401 ( 8.371 -0.000 7.741) 11.401 8.685 ( -2.937 -0.000 9.051) 9.516 10.211 ( 0.247 -0.000 4.623) 4.630 10.360 ( -10.272 0.000 4.090) 11.056 11.582 ( 5.175 -0.000 -6.569) 8.362 12.016 ( 0.285 0.000 -7.898) 7.904 12.028 ( -1.339 0.000 -7.394) 7.514 12.468 ( 0.857 0.000 -2.135) 2.301 14.516 ( 4.521 -0.000 9.205) 10.256 14.931 ( 0.524 -0.000 14.190) 14.200 22.284 ( -0.406 -0.000 2.250) 2.286 22.380 ( -6.911 0.000 3.882) 7.927 23.003 ( 1.069 0.000 -3.492) 3.652 23.096 ( -4.310 0.000 -6.390) 7.708 24.074 ( 0.246 0.000 -7.782) 7.786 24.914 ( 1.002 -0.000 -0.357) 1.063 24.977 ( -0.081 -0.000 0.936) 0.940 26.404 ( 6.435 -0.000 6.691) 9.283 ======================= Grid point 294 (86/102) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -10.400 -10.400 6.406) 16.042 2.258 ( -11.603 -11.603 6.762) 17.747 2.914 ( -1.983 -1.983 -14.623) 14.890 2.968 ( -5.736 -5.736 -14.151) 16.310 3.858 ( -2.767 -2.767 -19.223) 19.618 3.956 ( 5.906 5.906 18.169) 19.997 4.204 ( 2.072 2.072 -8.737) 9.215 4.353 ( -5.688 -5.688 7.826) 11.223 5.283 ( 0.065 0.065 5.291) 5.292 5.419 ( 4.666 4.666 4.499) 7.987 5.477 ( 0.537 0.537 4.376) 4.441 5.666 ( 1.046 1.046 0.355) 1.521 6.550 ( -0.714 -0.714 -16.087) 16.119 6.598 ( 1.207 1.207 7.921) 8.103 6.968 ( 0.043 0.043 -7.229) 7.229 7.457 ( 0.125 0.125 -2.550) 2.556 7.532 ( -4.488 -4.488 -2.794) 6.935 8.419 ( 6.236 6.236 10.921) 14.037 8.494 ( 2.642 2.642 7.485) 8.366 8.647 ( -1.052 -1.052 11.284) 11.382 10.222 ( -0.565 -0.565 4.127) 4.204 10.277 ( -4.445 -4.445 4.623) 7.804 11.618 ( 1.714 1.714 -6.461) 6.901 12.016 ( 0.309 0.309 -8.367) 8.379 12.021 ( -0.343 -0.343 -7.761) 7.776 12.475 ( 0.360 0.360 -1.907) 1.974 14.551 ( 1.774 1.774 10.176) 10.481 14.933 ( 1.444 1.444 14.706) 14.847 22.287 ( -0.427 -0.427 1.797) 1.896 22.319 ( -2.622 -2.622 3.702) 5.239 23.000 ( 1.114 1.114 -4.964) 5.208 23.083 ( -4.703 -4.703 -3.876) 7.698 24.077 ( 0.154 0.154 -8.432) 8.434 24.921 ( -0.022 -0.022 -0.632) 0.633 24.976 ( 0.665 0.665 1.062) 1.418 26.449 ( 4.084 4.084 7.253) 9.272 ======================= Grid point 295 (87/102) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -0.419 0.000 -14.054) 14.061 2.185 ( -22.672 0.000 -14.933) 27.148 2.803 ( 2.166 -0.000 4.064) 4.605 2.884 ( -9.098 0.000 5.522) 10.642 3.531 ( -5.434 0.000 -18.504) 19.286 4.062 ( 5.299 -0.000 -4.850) 7.183 4.085 ( 2.356 0.000 -6.829) 7.224 4.622 ( -6.384 -0.000 24.149) 24.978 4.986 ( -3.533 0.000 -36.438) 36.608 5.504 ( 6.605 -0.000 3.119) 7.305 5.551 ( 0.087 -0.000 3.482) 3.483 5.655 ( 0.879 0.000 -2.476) 2.627 6.294 ( -1.059 0.000 -13.909) 13.950 6.841 ( -0.273 0.000 -7.623) 7.628 6.992 ( 6.205 -0.000 32.300) 32.891 7.442 ( -2.891 0.000 0.091) 2.893 7.442 ( -3.673 0.000 -3.531) 5.095 8.584 ( 4.915 -0.000 3.470) 6.017 8.595 ( 3.457 -0.000 4.513) 5.685 8.838 ( 0.453 -0.000 12.755) 12.763 10.244 ( 0.009 0.000 -1.017) 1.017 10.284 ( -5.639 0.000 -0.570) 5.667 11.574 ( 1.593 -0.000 -0.928) 1.844 11.928 ( -0.337 0.000 -2.925) 2.944 11.928 ( -0.202 0.000 -2.700) 2.707 12.498 ( 0.540 -0.000 4.508) 4.541 14.697 ( 4.142 -0.000 6.293) 7.534 15.109 ( 1.448 -0.000 5.943) 6.116 22.311 ( -0.090 -0.000 1.514) 1.517 22.347 ( -5.176 0.000 2.518) 5.756 22.961 ( 0.305 0.000 -2.850) 2.866 22.975 ( -1.621 0.000 -3.702) 4.041 23.996 ( -0.477 0.000 -1.762) 1.825 24.921 ( -0.073 -0.000 0.846) 0.849 25.002 ( 0.441 -0.000 1.460) 1.525 26.560 ( 4.811 -0.000 2.882) 5.609 ======================= Grid point 305 (88/102) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.000 0.000 -23.573) 23.573 1.701 ( -0.000 0.000 -23.573) 23.573 2.953 ( 0.000 -0.000 9.611) 9.611 2.953 ( 0.000 -0.000 9.611) 9.611 3.191 ( -0.000 0.000 -17.940) 17.940 4.025 ( -0.000 0.000 -1.645) 1.645 4.025 ( -0.000 0.000 -1.645) 1.645 4.224 ( -0.000 0.000 -54.033) 54.033 4.823 ( 0.000 -0.000 2.447) 2.447 5.594 ( 0.000 -0.000 1.639) 1.639 5.594 ( 0.000 -0.000 1.639) 1.639 5.607 ( -0.000 0.000 -4.187) 4.187 6.176 ( 0.000 -0.000 2.958) 2.958 6.720 ( -0.000 0.000 -6.958) 6.958 7.360 ( -0.000 0.000 -4.166) 4.166 7.360 ( -0.000 0.000 -4.166) 4.166 7.642 ( 0.000 -0.000 37.930) 37.930 8.645 ( 0.000 -0.000 0.007) 0.007 8.645 ( 0.000 -0.000 0.007) 0.007 9.049 ( 0.000 -0.000 12.168) 12.168 10.176 ( -0.000 0.000 -7.255) 7.255 10.176 ( -0.000 0.000 -7.255) 7.255 11.586 ( 0.000 -0.000 0.952) 0.952 11.936 ( 0.000 -0.000 3.746) 3.746 11.936 ( 0.000 -0.000 3.746) 3.746 12.624 ( 0.000 -0.000 11.139) 11.139 14.815 ( 0.000 -0.000 3.840) 3.840 15.142 ( -0.000 0.000 -3.246) 3.246 22.323 ( 0.000 -0.000 0.025) 0.025 22.323 ( 0.000 -0.000 0.025) 0.025 22.929 ( -0.000 0.000 -1.240) 1.240 22.929 ( -0.000 0.000 -1.240) 1.240 24.011 ( 0.000 -0.000 4.161) 4.161 24.949 ( 0.000 -0.000 3.088) 3.088 25.024 ( 0.000 -0.000 0.769) 0.769 26.616 ( -0.000 0.000 -0.597) 0.597 ======================= Grid point 360 (89/102) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 10.289 -0.000 0.000) 10.289 2.418 ( 21.099 -0.000 0.000) 21.099 3.345 ( -6.852 0.000 -0.000) 6.852 3.510 ( 11.458 -0.000 0.000) 11.458 3.514 ( -41.271 0.000 -0.000) 41.271 4.169 ( 23.362 -0.000 0.000) 23.362 4.185 ( 17.427 -0.000 0.000) 17.427 4.465 ( 16.977 -0.000 0.000) 16.977 4.951 ( -26.127 0.000 -0.000) 26.127 4.990 ( 5.954 -0.000 0.000) 5.954 5.032 ( -2.626 0.000 -0.000) 2.626 5.246 ( -3.466 0.000 -0.000) 3.466 6.983 ( 0.311 -0.000 0.000) 0.311 7.080 ( -0.684 0.000 -0.000) 0.684 7.168 ( 11.922 -0.000 0.000) 11.922 7.267 ( 4.252 -0.000 0.000) 4.252 7.321 ( 12.458 -0.000 0.000) 12.458 7.768 ( -5.967 0.000 -0.000) 5.967 8.197 ( -6.590 0.000 -0.000) 6.590 8.575 ( -17.017 0.000 -0.000) 17.017 9.895 ( 2.053 -0.000 0.000) 2.053 10.583 ( -20.449 0.000 -0.000) 20.449 12.048 ( 12.283 -0.000 0.000) 12.283 12.386 ( 2.093 -0.000 0.000) 2.093 12.516 ( 11.945 -0.000 0.000) 11.945 13.218 ( -6.110 0.000 -0.000) 6.110 13.580 ( -0.764 0.000 -0.000) 0.764 13.785 ( -4.281 0.000 -0.000) 4.281 22.200 ( -0.784 0.000 -0.000) 0.784 22.454 ( -8.118 0.000 -0.000) 8.118 23.089 ( 2.769 -0.000 0.000) 2.769 23.678 ( -14.890 0.000 -0.000) 14.890 24.850 ( 6.709 -0.000 0.000) 6.709 24.990 ( 9.360 -0.000 0.000) 9.360 25.061 ( -3.235 0.000 -0.000) 3.235 25.390 ( 0.302 -0.000 0.000) 0.302 ======================= Grid point 370 (90/102) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 7.036 -34.723 0.000) 35.428 2.667 ( 3.840 -1.298 0.000) 4.053 2.923 ( -33.344 0.216 -0.000) 33.345 3.204 ( -7.220 5.623 -0.000) 9.151 3.722 ( 8.873 -10.331 0.000) 13.618 4.345 ( -5.917 1.439 -0.000) 6.090 4.425 ( 14.862 -0.687 0.000) 14.878 4.612 ( -2.239 8.602 -0.000) 8.888 4.694 ( 12.852 -2.629 0.000) 13.119 4.996 ( -4.181 0.980 -0.000) 4.294 5.058 ( 5.085 1.283 0.000) 5.245 5.180 ( -2.790 2.912 -0.000) 4.033 6.993 ( 0.397 -0.893 0.000) 0.978 7.055 ( -2.233 0.255 -0.000) 2.247 7.307 ( 5.971 3.559 0.000) 6.951 7.309 ( 8.944 2.707 0.000) 9.344 7.532 ( 13.432 -2.577 0.000) 13.677 7.741 ( -0.257 -2.643 0.000) 2.656 8.087 ( -6.157 1.621 -0.000) 6.366 8.320 ( -16.535 2.262 -0.000) 16.689 9.964 ( 1.679 -6.020 0.000) 6.250 10.318 ( -16.585 0.688 -0.000) 16.599 12.199 ( 10.831 1.353 0.000) 10.915 12.378 ( 2.017 4.962 -0.000) 5.356 12.702 ( 9.305 -5.251 0.000) 10.685 13.095 ( -9.711 1.788 -0.000) 9.874 13.594 ( 2.133 -0.604 0.000) 2.217 13.718 ( -3.724 1.375 -0.000) 3.970 22.198 ( -0.200 -1.098 0.000) 1.116 22.329 ( -6.353 2.185 -0.000) 6.718 23.183 ( 1.685 -7.783 0.000) 7.963 23.493 ( -13.534 -1.357 -0.000) 13.602 24.899 ( 1.138 -1.491 0.000) 1.876 25.004 ( -4.015 0.559 -0.000) 4.054 25.151 ( 12.623 1.212 0.000) 12.681 25.366 ( 1.787 5.540 -0.000) 5.821 ======================= Grid point 371 (91/102) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 7.728 -0.000 9.744) 12.436 2.745 ( 9.517 -0.000 11.378) 14.833 2.889 ( -40.403 0.000 -0.442) 40.406 3.510 ( -4.917 -0.000 26.903) 27.349 3.594 ( 6.956 -0.000 -6.950) 9.833 4.254 ( -6.353 0.000 -8.906) 10.940 4.362 ( 14.128 -0.000 -6.546) 15.571 4.634 ( -2.186 0.000 -5.048) 5.501 4.733 ( 3.638 0.000 -19.604) 19.939 4.767 ( 12.311 -0.000 8.789) 15.126 5.200 ( -3.766 -0.000 6.741) 7.722 5.335 ( 1.816 -0.000 12.817) 12.945 6.955 ( 0.588 0.000 -4.283) 4.324 7.055 ( -3.379 0.000 -0.673) 3.445 7.192 ( 7.170 -0.000 -7.774) 10.576 7.493 ( 9.184 -0.000 -1.519) 9.308 7.509 ( 9.293 -0.000 11.940) 15.131 7.791 ( 2.406 -0.000 8.443) 8.779 8.066 ( -9.406 0.000 -3.654) 10.090 8.391 ( -13.602 0.000 5.907) 14.830 9.945 ( 1.573 -0.000 2.931) 3.327 10.342 ( -16.492 0.000 2.366) 16.661 12.145 ( 10.696 -0.000 -9.098) 14.042 12.379 ( 1.734 0.000 -4.312) 4.647 12.477 ( 5.638 0.000 -16.685) 17.612 12.993 ( -6.357 0.000 -13.836) 15.227 13.722 ( 4.592 -0.000 17.110) 17.716 13.956 ( -5.588 -0.000 21.936) 22.637 22.198 ( -0.684 0.000 1.034) 1.240 22.354 ( -7.219 0.000 0.995) 7.287 23.115 ( 2.555 -0.000 -1.475) 2.950 23.464 ( -12.230 0.000 -2.539) 12.491 24.816 ( 0.934 0.000 -17.233) 17.259 24.923 ( 6.048 -0.000 -5.277) 8.027 25.022 ( -0.456 0.000 -1.966) 2.019 25.667 ( 4.410 -0.000 20.541) 21.009 ======================= Grid point 379 (92/102) ======================= q-point: ( 0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 3.517 -44.156 0.000) 44.295 2.158 ( -44.156 3.517 -0.000) 44.295 2.999 ( 3.606 1.231 0.000) 3.810 2.999 ( 1.231 3.606 0.000) 3.810 4.039 ( 6.212 -18.280 0.000) 19.307 4.039 ( -18.280 6.212 -0.000) 19.307 4.577 ( 9.434 5.584 0.000) 10.962 4.577 ( 5.584 9.434 -0.000) 10.962 4.883 ( 6.136 -2.514 0.000) 6.632 4.883 ( -2.514 6.136 -0.000) 6.632 5.107 ( 2.302 2.076 0.000) 3.100 5.107 ( 2.076 2.302 0.000) 3.100 7.020 ( 0.143 -1.643 0.000) 1.650 7.020 ( -1.643 0.143 -0.000) 1.650 7.335 ( 5.725 5.702 0.000) 8.081 7.335 ( 5.702 5.725 0.000) 8.081 7.726 ( 4.374 2.392 0.000) 4.985 7.726 ( 2.392 4.374 0.000) 4.985 8.090 ( -4.175 -6.776 0.000) 7.959 8.090 ( -6.776 -4.175 0.000) 7.959 10.107 ( -0.548 -9.875 0.000) 9.890 10.107 ( -9.875 -0.548 -0.000) 9.890 12.311 ( 6.229 4.145 0.000) 7.482 12.311 ( 4.145 6.229 0.000) 7.482 12.909 ( -0.321 -2.885 0.000) 2.903 12.909 ( -2.885 -0.321 0.000) 2.903 13.648 ( 0.448 -0.587 0.000) 0.739 13.648 ( -0.587 0.448 0.000) 0.739 22.235 ( 1.106 -3.487 0.000) 3.659 22.235 ( -3.487 1.106 -0.000) 3.658 23.330 ( -3.038 -8.741 0.000) 9.254 23.330 ( -8.741 -3.038 0.000) 9.254 24.943 ( -0.627 -1.906 0.000) 2.006 24.943 ( -1.906 -0.627 0.000) 2.006 25.285 ( 6.173 5.742 0.000) 8.431 25.285 ( 5.742 6.173 0.000) 8.431 ======================= Grid point 381 (93/102) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 4.888 -31.766 7.470) 32.997 2.245 ( -43.628 2.233 4.992) 43.969 2.885 ( 4.816 -0.431 3.723) 6.103 3.448 ( 1.569 4.610 27.494) 27.922 3.762 ( 4.435 -12.082 -6.297) 14.328 4.031 ( -18.381 2.194 -7.434) 19.948 4.534 ( 10.193 0.832 -8.515) 13.307 4.613 ( 3.553 5.338 -7.124) 9.585 4.772 ( 2.621 1.157 -17.004) 17.243 4.958 ( 10.603 -0.932 8.821) 13.824 5.126 ( -2.959 3.634 7.729) 9.039 5.348 ( 1.665 1.497 12.784) 12.979 6.970 ( 0.299 -1.365 -3.714) 3.968 7.009 ( -2.547 0.326 -2.137) 3.341 7.265 ( 6.311 3.492 -8.179) 10.905 7.555 ( 4.976 4.316 3.270) 7.354 7.658 ( 9.166 -2.075 3.604) 10.065 7.889 ( 5.022 -0.112 9.561) 10.800 7.917 ( -8.537 -1.584 -4.717) 9.881 8.209 ( -10.036 0.689 9.529) 13.856 10.003 ( 1.060 -5.600 2.465) 6.210 10.142 ( -11.566 0.233 2.785) 11.899 12.262 ( 8.111 2.499 -9.999) 13.115 12.372 ( 1.672 3.484 -3.872) 5.471 12.550 ( 0.050 -3.574 -19.999) 20.316 12.920 ( -2.667 0.756 -10.546) 10.905 13.792 ( 3.610 -1.849 19.275) 19.697 13.874 ( -3.939 2.116 20.419) 20.903 22.204 ( -0.048 -1.929 0.959) 2.155 22.257 ( -4.887 0.883 0.946) 5.055 23.188 ( 1.241 -5.431 -2.133) 5.966 23.319 ( -9.772 -1.118 -1.211) 9.910 24.817 ( -0.934 -0.889 -13.835) 13.895 24.951 ( -0.584 -0.218 -0.214) 0.659 25.051 ( 5.257 2.759 -11.002) 12.502 25.705 ( 4.746 3.427 21.100) 21.897 ======================= Grid point 382 (94/102) ======================= q-point: (-0.30 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 4.809 -0.000 14.667) 15.435 2.370 ( -40.140 0.000 8.737) 41.080 3.090 ( 3.411 -0.000 21.488) 21.757 3.465 ( 1.913 0.000 -16.707) 16.817 3.670 ( -9.574 0.000 -12.691) 15.897 4.232 ( -4.200 -0.000 35.688) 35.934 4.387 ( 8.913 -0.000 -9.732) 13.196 4.481 ( 2.635 0.000 -18.925) 19.108 4.547 ( 0.041 0.000 -5.417) 5.417 5.101 ( 12.042 -0.000 9.004) 15.036 5.288 ( -1.184 -0.000 8.330) 8.414 5.527 ( 1.341 -0.000 8.409) 8.515 6.859 ( 0.329 0.000 -9.275) 9.281 6.949 ( -3.704 0.000 -6.320) 7.326 7.164 ( 5.868 -0.000 -7.532) 9.548 7.523 ( 2.622 -0.000 -3.032) 4.008 7.721 ( -3.687 0.000 -2.026) 4.207 7.962 ( 1.699 -0.000 10.730) 10.863 8.058 ( 8.144 -0.000 12.664) 15.057 8.378 ( -8.159 0.000 10.409) 13.226 10.027 ( 0.882 -0.000 5.166) 5.240 10.201 ( -11.451 0.000 4.580) 12.333 12.023 ( 6.013 0.000 -19.991) 20.876 12.301 ( 1.095 0.000 -8.005) 8.080 12.303 ( 0.853 0.000 -9.527) 9.565 12.723 ( -1.197 0.000 -12.947) 13.002 14.079 ( 3.293 -0.000 17.928) 18.228 14.270 ( -2.718 -0.000 25.638) 25.781 22.213 ( -0.526 -0.000 1.854) 1.927 22.287 ( -5.579 0.000 1.990) 5.923 23.112 ( 1.831 -0.000 -2.896) 3.427 23.267 ( -8.549 0.000 -3.845) 9.374 24.528 ( 1.740 0.000 -19.579) 19.656 24.937 ( 1.783 -0.000 -0.994) 2.042 24.988 ( 0.184 0.000 -1.853) 1.862 26.031 ( 4.707 -0.000 16.985) 17.625 ======================= Grid point 391 (95/102) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -12.236 -12.236 12.320) 21.242 1.870 ( -13.223 -13.223 12.287) 22.376 3.115 ( 0.682 0.682 20.999) 21.022 3.509 ( -1.247 -1.247 -16.613) 16.706 3.569 ( -5.601 -5.601 -18.066) 19.727 4.199 ( 0.869 0.869 40.133) 40.151 4.479 ( 1.711 1.711 -16.668) 16.843 4.496 ( 2.386 2.386 -8.328) 8.985 4.526 ( 0.407 0.407 -10.703) 10.719 5.214 ( 4.076 4.076 8.804) 10.523 5.255 ( 1.263 1.263 9.058) 9.233 5.534 ( 0.958 0.958 8.504) 8.612 6.864 ( -1.099 -1.099 -9.377) 9.505 6.918 ( -0.629 -0.629 -6.597) 6.657 7.214 ( 4.042 4.042 -8.303) 10.081 7.550 ( 0.842 0.842 -3.942) 4.118 7.668 ( -5.857 -5.857 -6.245) 10.373 7.979 ( 6.527 6.527 14.961) 17.580 8.157 ( 2.418 2.418 12.678) 13.131 8.286 ( -3.601 -3.601 11.905) 12.949 10.060 ( -1.524 -1.524 4.394) 4.894 10.093 ( -3.857 -3.857 5.349) 7.640 12.064 ( 2.240 2.240 -21.222) 21.457 12.303 ( 1.048 1.048 -7.667) 7.809 12.316 ( -0.253 -0.253 -9.598) 9.605 12.715 ( 0.007 0.007 -12.215) 12.215 14.106 ( 0.106 0.106 17.164) 17.165 14.246 ( 0.476 0.476 27.059) 27.068 22.226 ( -1.331 -1.331 2.019) 2.760 22.226 ( -1.303 -1.303 1.681) 2.494 23.145 ( -0.600 -0.600 -3.836) 3.928 23.192 ( -4.000 -4.000 -2.497) 6.184 24.539 ( 0.596 0.596 -18.965) 18.984 24.947 ( -0.211 -0.211 -0.289) 0.416 24.993 ( 1.435 1.435 -3.261) 3.840 26.063 ( 3.014 3.014 17.184) 17.705 ======================= Grid point 392 (96/102) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 2.150 -0.000 14.854) 15.009 2.087 ( -24.622 0.000 13.424) 28.044 3.172 ( 0.141 0.000 -20.560) 20.560 3.234 ( -8.410 0.000 -20.511) 22.168 3.539 ( 1.718 -0.000 30.781) 30.829 4.164 ( -0.339 0.000 -21.133) 21.136 4.350 ( 4.347 0.000 -9.088) 10.074 4.393 ( -1.742 0.000 -7.709) 7.903 4.895 ( 0.541 -0.000 38.825) 38.829 5.354 ( 6.057 -0.000 6.843) 9.139 5.399 ( -0.221 -0.000 6.528) 6.531 5.640 ( 0.826 -0.000 4.108) 4.190 6.672 ( -0.670 0.000 -12.207) 12.225 6.771 ( -1.220 0.000 -11.884) 11.946 7.103 ( 3.218 0.000 -8.882) 9.447 7.498 ( 0.522 0.000 -2.663) 2.714 7.550 ( -6.301 0.000 -4.036) 7.483 8.274 ( 7.291 -0.000 14.627) 16.344 8.347 ( 5.123 -0.000 11.199) 12.315 8.459 ( -5.827 -0.000 11.694) 13.065 10.125 ( 0.289 -0.000 6.118) 6.125 10.166 ( -5.580 0.000 5.872) 8.101 11.790 ( 1.641 0.000 -14.365) 14.458 12.165 ( 0.511 0.000 -9.805) 9.818 12.167 ( 0.395 0.000 -9.918) 9.925 12.554 ( 0.206 0.000 -7.850) 7.853 14.360 ( 1.043 -0.000 14.771) 14.808 14.647 ( 0.483 -0.000 22.533) 22.538 22.241 ( -0.275 -0.000 2.392) 2.408 22.262 ( -3.231 0.000 2.547) 4.114 23.076 ( 0.843 0.000 -3.865) 3.956 23.113 ( -4.204 0.000 -4.304) 6.017 24.269 ( 0.780 0.000 -15.317) 15.337 24.935 ( 0.154 0.000 -0.935) 0.948 24.976 ( 0.673 -0.000 -0.453) 0.811 26.320 ( 3.214 -0.000 12.539) 12.945 ======================= Grid point 402 (97/102) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 0.000 -0.000 6.101) 6.101 2.086 ( 0.000 -0.000 6.101) 6.101 2.885 ( -0.000 0.000 -13.658) 13.658 2.885 ( -0.000 0.000 -13.658) 13.658 3.818 ( -0.000 0.000 -21.475) 21.475 4.079 ( 0.000 -0.000 34.190) 34.190 4.234 ( -0.000 0.000 -9.157) 9.157 4.234 ( -0.000 0.000 -9.157) 9.157 5.282 ( 0.000 -0.000 2.282) 2.282 5.486 ( 0.000 -0.000 4.836) 4.836 5.486 ( 0.000 -0.000 4.836) 4.836 5.680 ( 0.000 -0.000 0.329) 0.329 6.539 ( -0.000 0.000 -16.243) 16.243 6.616 ( 0.000 -0.000 11.918) 11.918 6.977 ( -0.000 0.000 -9.248) 9.248 7.459 ( -0.000 0.000 -2.556) 2.556 7.459 ( -0.000 0.000 -2.556) 2.556 8.532 ( 0.000 -0.000 7.567) 7.567 8.532 ( 0.000 -0.000 7.567) 7.567 8.607 ( 0.000 -0.000 15.455) 15.455 10.214 ( 0.000 -0.000 4.380) 4.380 10.214 ( 0.000 -0.000 4.380) 4.380 11.639 ( -0.000 0.000 -6.402) 6.402 12.020 ( -0.000 0.000 -8.432) 8.432 12.020 ( -0.000 0.000 -8.432) 8.432 12.480 ( -0.000 0.000 -1.816) 1.816 14.577 ( 0.000 -0.000 11.521) 11.521 14.952 ( 0.000 -0.000 15.121) 15.121 22.278 ( 0.000 -0.000 2.413) 2.413 22.278 ( 0.000 -0.000 2.413) 2.413 23.019 ( -0.000 0.000 -3.964) 3.964 23.019 ( -0.000 0.000 -3.964) 3.964 24.080 ( -0.000 0.000 -9.103) 9.103 24.921 ( -0.000 0.000 -0.699) 0.699 24.986 ( 0.000 -0.000 0.945) 0.945 26.506 ( 0.000 -0.000 7.974) 7.974 ======================= Grid point 478 (98/102) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 5.723 -0.000 0.000) 5.723 2.220 ( -44.363 0.000 -0.000) 44.363 2.920 ( 11.083 -0.000 0.000) 11.083 3.158 ( -5.158 0.000 -0.000) 5.158 3.741 ( 5.210 -0.000 0.000) 5.210 4.129 ( -19.739 0.000 -0.000) 19.739 4.628 ( 13.490 -0.000 0.000) 13.490 4.745 ( 7.565 -0.000 0.000) 7.565 4.828 ( 8.787 -0.000 0.000) 8.787 4.972 ( -1.547 0.000 -0.000) 1.547 5.119 ( 2.450 -0.000 0.000) 2.450 5.163 ( -2.230 0.000 -0.000) 2.230 6.990 ( 0.192 -0.000 0.000) 0.192 7.025 ( -2.081 0.000 -0.000) 2.081 7.428 ( 7.574 -0.000 0.000) 7.574 7.478 ( 9.958 -0.000 0.000) 9.958 7.691 ( 11.370 -0.000 0.000) 11.370 7.714 ( 1.070 -0.000 0.000) 1.070 8.007 ( -6.902 0.000 -0.000) 6.902 8.106 ( -16.001 0.000 -0.000) 16.001 9.942 ( 1.195 -0.000 0.000) 1.195 10.125 ( -11.694 0.000 -0.000) 11.694 12.339 ( 7.917 -0.000 0.000) 7.917 12.436 ( 1.331 -0.000 0.000) 1.331 12.774 ( 6.259 -0.000 0.000) 6.259 12.984 ( -8.048 0.000 -0.000) 8.048 13.616 ( 1.758 -0.000 0.000) 1.758 13.682 ( -2.737 0.000 -0.000) 2.737 22.182 ( -0.475 0.000 -0.000) 0.475 22.256 ( -5.504 0.000 -0.000) 5.504 23.160 ( 2.087 -0.000 0.000) 2.087 23.327 ( -9.388 0.000 -0.000) 9.388 24.893 ( 0.151 -0.000 0.000) 0.151 24.951 ( -3.715 0.000 -0.000) 3.715 25.318 ( 9.668 -0.000 0.000) 9.668 25.430 ( 1.778 -0.000 0.000) 1.778 ======================= Grid point 488 (99/102) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.559 -32.596 0.000) 32.696 1.645 ( -32.596 2.559 -0.000) 32.696 3.061 ( 2.058 1.419 0.000) 2.499 3.061 ( 1.419 2.058 0.000) 2.499 3.880 ( 2.664 -11.937 0.000) 12.231 3.880 ( -11.937 2.664 -0.000) 12.231 4.765 ( 7.408 3.625 0.000) 8.248 4.765 ( 3.625 7.408 -0.000) 8.248 4.929 ( 2.304 0.399 0.000) 2.338 4.929 ( 0.399 2.304 0.000) 2.338 5.137 ( 0.072 0.060 0.000) 0.093 5.137 ( 0.060 0.072 0.000) 0.093 7.001 ( -0.271 -0.772 0.000) 0.818 7.001 ( -0.772 -0.271 0.000) 0.818 7.511 ( 6.815 6.596 0.000) 9.485 7.511 ( 6.596 6.815 0.000) 9.485 7.796 ( 1.253 1.124 0.000) 1.683 7.796 ( 1.124 1.253 0.000) 1.683 7.931 ( -5.455 -5.541 0.000) 7.775 7.931 ( -5.541 -5.455 0.000) 7.775 9.996 ( 0.264 -5.660 0.000) 5.666 9.996 ( -5.660 0.264 -0.000) 5.666 12.419 ( 3.525 1.618 0.000) 3.879 12.419 ( 1.618 3.525 0.000) 3.879 12.873 ( -0.615 -1.241 0.000) 1.385 12.873 ( -1.241 -0.615 0.000) 1.385 13.645 ( 0.028 -0.264 0.000) 0.266 13.645 ( -0.264 0.028 0.000) 0.266 22.196 ( -0.008 -2.673 0.000) 2.673 22.196 ( -2.673 -0.008 -0.000) 2.673 23.221 ( 0.179 -4.658 0.000) 4.662 23.221 ( -4.658 0.179 -0.000) 4.662 24.909 ( -0.887 -1.111 0.000) 1.421 24.909 ( -1.111 -0.887 0.000) 1.421 25.414 ( 3.216 3.093 0.000) 4.462 25.414 ( 3.093 3.216 0.000) 4.462 ======================= Grid point 490 (100/102) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.809 -0.000 8.802) 9.240 1.722 ( -31.042 0.000 7.262) 31.880 2.928 ( 1.606 -0.000 2.136) 2.672 3.521 ( 3.242 -0.000 33.085) 33.243 3.711 ( 1.855 0.000 -10.385) 10.549 3.821 ( -12.668 0.000 -7.375) 14.658 4.656 ( 5.752 0.000 -10.958) 12.376 4.686 ( 1.555 0.000 -10.223) 10.341 4.819 ( 2.232 0.000 -18.943) 19.074 5.068 ( 5.675 -0.000 11.242) 12.594 5.119 ( -1.653 -0.000 10.298) 10.429 5.370 ( 0.417 -0.000 13.134) 13.140 6.960 ( -0.334 0.000 -4.137) 4.150 6.985 ( -1.044 0.000 -2.464) 2.676 7.400 ( 7.604 -0.000 -10.241) 12.755 7.637 ( 2.276 0.000 -6.646) 7.025 7.710 ( -2.072 0.000 -1.754) 2.715 7.832 ( 0.534 -0.000 7.539) 7.558 7.957 ( 5.172 -0.000 11.959) 13.029 8.078 ( -8.858 0.000 11.833) 14.781 9.975 ( 0.575 -0.000 2.648) 2.710 10.021 ( -5.986 0.000 2.585) 6.520 12.375 ( 5.382 -0.000 -8.167) 9.781 12.414 ( 0.676 0.000 -4.510) 4.560 12.509 ( -1.999 0.000 -22.832) 22.920 12.900 ( -0.773 0.000 -9.170) 9.202 13.817 ( 1.916 -0.000 20.223) 20.314 13.846 ( -2.099 -0.000 20.192) 20.301 22.185 ( -0.258 -0.000 0.978) 1.012 22.204 ( -2.994 0.000 0.979) 3.150 23.170 ( 1.122 -0.000 -1.695) 2.033 23.213 ( -4.937 0.000 -1.747) 5.237 24.796 ( -0.905 0.000 -11.413) 11.448 24.938 ( -0.672 -0.000 1.194) 1.370 25.133 ( 3.119 0.000 -14.338) 14.673 25.781 ( 2.733 -0.000 21.085) 21.262 ======================= Grid point 500 (101/102) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 -0.000 14.078) 14.078 1.672 ( 0.000 -0.000 14.078) 14.078 3.125 ( 0.000 -0.000 20.958) 20.958 3.488 ( -0.000 0.000 -18.422) 18.422 3.488 ( -0.000 0.000 -18.422) 18.422 4.213 ( 0.000 -0.000 44.921) 44.921 4.506 ( -0.000 0.000 -21.685) 21.685 4.530 ( -0.000 0.000 -9.835) 9.835 4.530 ( -0.000 0.000 -9.835) 9.835 5.274 ( 0.000 -0.000 9.216) 9.216 5.274 ( 0.000 -0.000 9.216) 9.216 5.545 ( 0.000 -0.000 8.697) 8.697 6.848 ( -0.000 0.000 -9.648) 9.648 6.909 ( -0.000 0.000 -6.653) 6.653 7.294 ( -0.000 0.000 -10.893) 10.893 7.562 ( -0.000 0.000 -4.718) 4.718 7.562 ( -0.000 0.000 -4.718) 4.718 8.114 ( 0.000 -0.000 15.378) 15.378 8.193 ( 0.000 -0.000 12.833) 12.833 8.193 ( 0.000 -0.000 12.833) 12.833 10.039 ( 0.000 -0.000 4.901) 4.901 10.039 ( 0.000 -0.000 4.901) 4.901 12.091 ( -0.000 0.000 -22.544) 22.544 12.317 ( -0.000 0.000 -8.242) 8.242 12.317 ( -0.000 0.000 -8.242) 8.242 12.714 ( -0.000 0.000 -11.916) 11.916 14.108 ( 0.000 -0.000 17.543) 17.543 14.252 ( 0.000 -0.000 27.455) 27.455 22.205 ( 0.000 -0.000 1.830) 1.830 22.205 ( 0.000 -0.000 1.830) 1.830 23.139 ( -0.000 0.000 -3.137) 3.137 23.139 ( -0.000 0.000 -3.137) 3.137 24.546 ( -0.000 0.000 -18.102) 18.102 24.943 ( -0.000 0.000 -0.038) 0.038 25.015 ( -0.000 0.000 -4.277) 4.277 26.105 ( 0.000 -0.000 17.412) 17.412 ======================= Grid point 598 (102/102) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 -0.000 0.000) 0.000 1.416 ( 0.000 -0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 -0.000 0.000) 0.000 3.811 ( 0.000 -0.000 0.000) 0.000 3.811 ( 0.000 -0.000 0.000) 0.000 4.850 ( -0.000 0.000 -0.000) 0.000 4.850 ( 0.000 -0.000 0.000) 0.000 4.950 ( 0.000 -0.000 0.000) 0.000 4.950 ( 0.000 -0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 -0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 -0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 -0.000 0.000) 0.000 7.745 ( -0.000 0.000 -0.000) 0.000 7.745 ( 0.000 -0.000 0.000) 0.000 7.862 ( 0.000 -0.000 0.000) 0.000 7.862 ( 0.000 -0.000 0.000) 0.000 9.959 ( 0.000 -0.000 0.000) 0.000 9.959 ( 0.000 -0.000 0.000) 0.000 12.455 ( 0.000 -0.000 0.000) 0.000 12.455 ( 0.000 -0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 -0.000 0.000) 0.000 13.643 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 -0.000 0.000) 0.000 22.175 ( 0.000 -0.000 0.000) 0.000 22.175 ( 0.000 -0.000 0.000) 0.000 23.192 ( 0.000 -0.000 0.000) 0.000 23.192 ( 0.000 -0.000 0.000) 0.000 24.894 ( 0.000 0.000 0.000) 0.000 24.894 ( 0.000 -0.000 0.000) 0.000 25.458 ( 0.000 0.000 0.000) 0.000 25.458 ( 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 1315.267 1315.267 2199.575 -0.000 0.000 0.000 3/36000 20.0 807.311 807.311 827.608 -0.000 0.000 0.000 3/36000 30.0 351.489 351.489 354.809 -0.000 0.000 0.000 3/36000 40.0 207.348 207.348 207.671 -0.000 0.000 0.000 3/36000 50.0 140.523 140.523 143.218 -0.000 0.000 0.000 3/36000 60.0 102.997 102.997 107.327 -0.000 0.000 0.000 3/36000 70.0 79.823 79.823 84.728 -0.000 0.000 0.000 3/36000 80.0 64.529 64.529 69.442 -0.000 0.000 0.000 3/36000 90.0 53.884 53.884 58.564 -0.000 0.000 0.000 3/36000 100.0 46.141 46.141 50.511 -0.000 0.000 0.000 3/36000 110.0 40.302 40.302 44.354 -0.000 0.000 0.000 3/36000 120.0 35.765 35.765 39.522 -0.000 0.000 0.000 3/36000 130.0 32.148 32.148 35.643 -0.000 0.000 0.000 3/36000 140.0 29.203 29.203 32.469 -0.000 0.000 0.000 3/36000 150.0 26.762 26.762 29.830 -0.000 0.000 0.000 3/36000 160.0 24.708 24.708 27.604 -0.000 0.000 0.000 3/36000 170.0 22.956 22.956 25.702 -0.000 0.000 0.000 3/36000 180.0 21.443 21.443 24.060 -0.000 0.000 0.000 3/36000 190.0 20.126 20.126 22.628 -0.000 0.000 0.000 3/36000 200.0 18.967 18.967 21.368 -0.000 0.000 0.000 3/36000 210.0 17.940 17.940 20.251 -0.000 0.000 0.000 3/36000 220.0 17.023 17.023 19.254 -0.000 0.000 0.000 3/36000 230.0 16.200 16.200 18.358 -0.000 0.000 0.000 3/36000 240.0 15.456 15.456 17.548 -0.000 0.000 0.000 3/36000 250.0 14.781 14.781 16.812 -0.000 0.000 0.000 3/36000 260.0 14.166 14.166 16.141 -0.000 0.000 0.000 3/36000 270.0 13.601 13.601 15.525 -0.000 0.000 0.000 3/36000 280.0 13.083 13.083 14.957 -0.000 0.000 0.000 3/36000 290.0 12.604 12.604 14.433 -0.000 0.000 0.000 3/36000 300.0 12.160 12.160 13.947 -0.000 0.000 0.000 3/36000 310.0 11.748 11.748 13.495 -0.000 0.000 0.000 3/36000 320.0 11.364 11.364 13.073 -0.000 0.000 0.000 3/36000 330.0 11.006 11.006 12.679 -0.000 0.000 0.000 3/36000 340.0 10.670 10.670 12.309 -0.000 0.000 0.000 3/36000 350.0 10.355 10.355 11.961 -0.000 0.000 0.000 3/36000 360.0 10.059 10.059 11.633 -0.000 0.000 0.000 3/36000 370.0 9.779 9.779 11.324 -0.000 0.000 0.000 3/36000 380.0 9.516 9.516 11.031 -0.000 0.000 0.000 3/36000 390.0 9.266 9.266 10.754 -0.000 0.000 0.000 3/36000 400.0 9.030 9.030 10.491 -0.000 0.000 0.000 3/36000 410.0 8.806 8.806 10.241 -0.000 0.000 0.000 3/36000 420.0 8.593 8.593 10.003 -0.000 0.000 0.000 3/36000 430.0 8.390 8.390 9.776 -0.000 0.000 0.000 3/36000 440.0 8.197 8.197 9.560 -0.000 0.000 0.000 3/36000 450.0 8.013 8.013 9.353 -0.000 0.000 0.000 3/36000 460.0 7.837 7.837 9.155 -0.000 0.000 0.000 3/36000 470.0 7.669 7.669 8.966 -0.000 0.000 0.000 3/36000 480.0 7.508 7.508 8.784 -0.000 0.000 0.000 3/36000 490.0 7.354 7.354 8.610 -0.000 0.000 0.000 3/36000 500.0 7.206 7.206 8.443 -0.000 0.000 0.000 3/36000 510.0 7.064 7.064 8.282 -0.000 0.000 0.000 3/36000 520.0 6.928 6.928 8.127 -0.000 0.000 0.000 3/36000 530.0 6.796 6.796 7.978 -0.000 0.000 0.000 3/36000 540.0 6.670 6.670 7.835 -0.000 0.000 0.000 3/36000 550.0 6.549 6.549 7.696 -0.000 0.000 0.000 3/36000 560.0 6.432 6.432 7.563 -0.000 0.000 0.000 3/36000 570.0 6.319 6.319 7.434 -0.000 0.000 0.000 3/36000 580.0 6.210 6.210 7.309 -0.000 0.000 0.000 3/36000 590.0 6.104 6.104 7.189 -0.000 0.000 0.000 3/36000 600.0 6.003 6.003 7.073 -0.000 0.000 0.000 3/36000 610.0 5.904 5.904 6.960 -0.000 0.000 0.000 3/36000 620.0 5.809 5.809 6.851 -0.000 0.000 0.000 3/36000 630.0 5.717 5.717 6.745 -0.000 0.000 0.000 3/36000 640.0 5.628 5.628 6.642 -0.000 0.000 0.000 3/36000 650.0 5.541 5.541 6.543 -0.000 0.000 0.000 3/36000 660.0 5.458 5.458 6.446 -0.000 0.000 0.000 3/36000 670.0 5.376 5.376 6.353 -0.000 0.000 0.000 3/36000 680.0 5.298 5.298 6.262 -0.000 0.000 0.000 3/36000 690.0 5.221 5.221 6.173 -0.000 0.000 0.000 3/36000 700.0 5.147 5.147 6.087 -0.000 0.000 0.000 3/36000 710.0 5.074 5.074 6.003 -0.000 0.000 0.000 3/36000 720.0 5.004 5.004 5.922 -0.000 0.000 0.000 3/36000 730.0 4.936 4.936 5.843 -0.000 0.000 0.000 3/36000 740.0 4.869 4.869 5.766 -0.000 0.000 0.000 3/36000 750.0 4.805 4.805 5.691 -0.000 0.000 0.000 3/36000 760.0 4.742 4.742 5.618 -0.000 0.000 0.000 3/36000 770.0 4.680 4.680 5.546 -0.000 0.000 0.000 3/36000 780.0 4.620 4.620 5.477 -0.000 0.000 0.000 3/36000 790.0 4.562 4.562 5.409 -0.000 0.000 0.000 3/36000 800.0 4.505 4.505 5.343 -0.000 0.000 0.000 3/36000 810.0 4.450 4.450 5.279 -0.000 0.000 0.000 3/36000 820.0 4.396 4.396 5.216 -0.000 0.000 0.000 3/36000 830.0 4.343 4.343 5.154 -0.000 0.000 0.000 3/36000 840.0 4.292 4.292 5.094 -0.000 0.000 0.000 3/36000 850.0 4.241 4.241 5.035 -0.000 0.000 0.000 3/36000 860.0 4.192 4.192 4.978 -0.000 0.000 0.000 3/36000 870.0 4.144 4.144 4.922 -0.000 0.000 0.000 3/36000 880.0 4.097 4.097 4.867 -0.000 0.000 0.000 3/36000 890.0 4.051 4.051 4.814 -0.000 0.000 0.000 3/36000 900.0 4.007 4.007 4.761 -0.000 0.000 0.000 3/36000 910.0 3.963 3.963 4.710 -0.000 0.000 0.000 3/36000 920.0 3.920 3.920 4.660 -0.000 0.000 0.000 3/36000 930.0 3.878 3.878 4.610 -0.000 0.000 0.000 3/36000 940.0 3.837 3.837 4.562 -0.000 0.000 0.000 3/36000 950.0 3.797 3.797 4.515 -0.000 0.000 0.000 3/36000 960.0 3.757 3.757 4.469 -0.000 0.000 0.000 3/36000 970.0 3.719 3.719 4.424 -0.000 0.000 0.000 3/36000 980.0 3.681 3.681 4.379 -0.000 0.000 0.000 3/36000 990.0 3.644 3.644 4.336 -0.000 0.000 0.000 3/36000 1000.0 3.608 3.608 4.293 -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 2026-01-08 00:12:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|