----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:48:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.772606720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772606720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216358560000000 Atomic positions (fractional): *1 O 0.30626919232590 0.30626919232590 0.00000000000000 15.999 2 O 0.19373080767410 0.80626919232590 0.50000000000000 15.999 3 O 0.80626919232590 0.19373080767410 0.50000000000000 15.999 4 O 0.69373080767410 0.69373080767410 0.00000000000000 15.999 *5 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.772606720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772606720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216358560000000 Atomic positions (fractional): *1 O 0.30626919232590 0.30626919232590 0.00000000000000 15.999 > 1 2 O 0.19373080767410 0.80626919232590 0.50000000000000 15.999 > 2 3 O 0.80626919232590 0.19373080767410 0.50000000000000 15.999 > 3 4 O 0.69373080767410 0.69373080767410 0.00000000000000 15.999 > 4 *5 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 5 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.545213439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.545213439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649075680000001 Atomic positions (fractional): *1 O 0.15313459616295 0.15313459616295 0.00000000000000 15.999 > 1 2 O 0.65313459616295 0.15313459616295 0.00000000000000 15.999 > 1 3 O 0.15313459616295 0.65313459616295 0.00000000000000 15.999 > 1 4 O 0.65313459616295 0.65313459616295 0.00000000000000 15.999 > 1 5 O 0.15313459616295 0.15313459616295 0.33333333333333 15.999 > 1 6 O 0.65313459616295 0.15313459616295 0.33333333333333 15.999 > 1 7 O 0.15313459616295 0.65313459616295 0.33333333333333 15.999 > 1 8 O 0.65313459616295 0.65313459616295 0.33333333333333 15.999 > 1 9 O 0.15313459616295 0.15313459616295 0.66666666666667 15.999 > 1 10 O 0.65313459616295 0.15313459616295 0.66666666666667 15.999 > 1 11 O 0.15313459616295 0.65313459616295 0.66666666666667 15.999 > 1 12 O 0.65313459616295 0.65313459616295 0.66666666666667 15.999 > 1 13 O 0.09686540383705 0.40313459616295 0.16666666666667 15.999 > 2 14 O 0.59686540383705 0.40313459616295 0.16666666666667 15.999 > 2 15 O 0.09686540383705 0.90313459616295 0.16666666666667 15.999 > 2 16 O 0.59686540383705 0.90313459616295 0.16666666666667 15.999 > 2 17 O 0.09686540383705 0.40313459616295 0.50000000000000 15.999 > 2 18 O 0.59686540383705 0.40313459616295 0.50000000000000 15.999 > 2 19 O 0.09686540383705 0.90313459616295 0.50000000000000 15.999 > 2 20 O 0.59686540383705 0.90313459616295 0.50000000000000 15.999 > 2 21 O 0.09686540383705 0.40313459616295 0.83333333333333 15.999 > 2 22 O 0.59686540383705 0.40313459616295 0.83333333333333 15.999 > 2 23 O 0.09686540383705 0.90313459616295 0.83333333333333 15.999 > 2 24 O 0.59686540383705 0.90313459616295 0.83333333333333 15.999 > 2 25 O 0.40313459616295 0.09686540383705 0.16666666666667 15.999 > 3 26 O 0.90313459616295 0.09686540383705 0.16666666666667 15.999 > 3 27 O 0.40313459616295 0.59686540383705 0.16666666666667 15.999 > 3 28 O 0.90313459616295 0.59686540383705 0.16666666666667 15.999 > 3 29 O 0.40313459616295 0.09686540383705 0.50000000000000 15.999 > 3 30 O 0.90313459616295 0.09686540383705 0.50000000000000 15.999 > 3 31 O 0.40313459616295 0.59686540383705 0.50000000000000 15.999 > 3 32 O 0.90313459616295 0.59686540383705 0.50000000000000 15.999 > 3 33 O 0.40313459616295 0.09686540383705 0.83333333333333 15.999 > 3 34 O 0.90313459616295 0.09686540383705 0.83333333333333 15.999 > 3 35 O 0.40313459616295 0.59686540383705 0.83333333333333 15.999 > 3 36 O 0.90313459616295 0.59686540383705 0.83333333333333 15.999 > 3 37 O 0.34686540383705 0.34686540383705 0.00000000000000 15.999 > 4 38 O 0.84686540383705 0.34686540383705 0.00000000000000 15.999 > 4 39 O 0.34686540383705 0.84686540383705 0.00000000000000 15.999 > 4 40 O 0.84686540383705 0.84686540383705 0.00000000000000 15.999 > 4 41 O 0.34686540383705 0.34686540383705 0.33333333333333 15.999 > 4 42 O 0.84686540383705 0.34686540383705 0.33333333333333 15.999 > 4 43 O 0.34686540383705 0.84686540383705 0.33333333333333 15.999 > 4 44 O 0.84686540383705 0.84686540383705 0.33333333333333 15.999 > 4 45 O 0.34686540383705 0.34686540383705 0.66666666666667 15.999 > 4 46 O 0.84686540383705 0.34686540383705 0.66666666666667 15.999 > 4 47 O 0.34686540383705 0.84686540383705 0.66666666666667 15.999 > 4 48 O 0.84686540383705 0.84686540383705 0.66666666666667 15.999 > 4 *49 Sn 0.25000000000000 0.25000000000000 0.16666666666667 118.710 > 5 50 Sn 0.75000000000000 0.25000000000000 0.16666666666667 118.710 > 5 51 Sn 0.25000000000000 0.75000000000000 0.16666666666667 118.710 > 5 52 Sn 0.75000000000000 0.75000000000000 0.16666666666667 118.710 > 5 53 Sn 0.25000000000000 0.25000000000000 0.50000000000000 118.710 > 5 54 Sn 0.75000000000000 0.25000000000000 0.50000000000000 118.710 > 5 55 Sn 0.25000000000000 0.75000000000000 0.50000000000000 118.710 > 5 56 Sn 0.75000000000000 0.75000000000000 0.50000000000000 118.710 > 5 57 Sn 0.25000000000000 0.25000000000000 0.83333333333333 118.710 > 5 58 Sn 0.75000000000000 0.25000000000000 0.83333333333333 118.710 > 5 59 Sn 0.25000000000000 0.75000000000000 0.83333333333333 118.710 > 5 60 Sn 0.75000000000000 0.75000000000000 0.83333333333333 118.710 > 5 61 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 6 62 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 6 63 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 6 64 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 6 65 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 6 66 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 6 67 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 6 68 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 6 69 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 6 70 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 6 71 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 6 72 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8625388 0.0000000 0.0000000 0.0000000 4.8625388 0.0000000 0.0000000 0.0000000 4.8855690 -------------------------- Born effective charges -------------------------- 1 O -2.0458596 -0.7468609 0.0000000 -0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 2 O -2.0458596 0.7468609 0.0000000 0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 3 O -2.0458596 0.7468609 0.0000000 0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 4 O -2.0458596 -0.7468609 0.0000000 -0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 5 Sn 4.0917191 -0.4720648 0.0000000 -0.4720648 4.0917191 0.0000000 0.0000000 0.0000000 4.4845650 6 Sn 4.0917191 0.4720648 0.0000000 0.4720648 4.0917191 0.0000000 0.0000000 0.0000000 4.4845650 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 216/216 Permutation basis: 2232/2232 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 164 Number of blocks in projector: 164 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 50 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 44 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 36 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (164, 158), data: False |-- (34, 34), data: True |-- (36, 34), data: True |-- (44, 42), data: True |-- (50, 48), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.028 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.031 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2232/2232 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 164 Number of blocks in projector: 164 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 50 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 44 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 36 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (164, 158), data: False |-- (34, 34), data: True |-- (36, 34), data: True |-- (44, 42), data: True |-- (50, 48), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:48:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:48:52]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.772606720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772606720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216358560000000 Atomic positions (fractional): 1 O 0.30626919232590 0.30626919232590 0.00000000000000 15.999 2 O 0.19373080767410 0.80626919232590 0.50000000000000 15.999 3 O 0.80626919232590 0.19373080767410 0.50000000000000 15.999 4 O 0.69373080767410 0.69373080767410 0.00000000000000 15.999 5 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.545213439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.545213439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649075680000001 Atomic positions (fractional): 1 O 0.15313459616295 0.15313459616295 0.00000000000000 15.999 > 1 2 O 0.65313459616295 0.15313459616295 0.00000000000000 15.999 > 1 3 O 0.15313459616295 0.65313459616295 0.00000000000000 15.999 > 1 4 O 0.65313459616295 0.65313459616295 0.00000000000000 15.999 > 1 5 O 0.15313459616295 0.15313459616295 0.33333333333333 15.999 > 1 6 O 0.65313459616295 0.15313459616295 0.33333333333333 15.999 > 1 7 O 0.15313459616295 0.65313459616295 0.33333333333333 15.999 > 1 8 O 0.65313459616295 0.65313459616295 0.33333333333333 15.999 > 1 9 O 0.15313459616295 0.15313459616295 0.66666666666667 15.999 > 1 10 O 0.65313459616295 0.15313459616295 0.66666666666667 15.999 > 1 11 O 0.15313459616295 0.65313459616295 0.66666666666667 15.999 > 1 12 O 0.65313459616295 0.65313459616295 0.66666666666667 15.999 > 1 13 O 0.09686540383705 0.40313459616295 0.16666666666667 15.999 > 13 14 O 0.59686540383705 0.40313459616295 0.16666666666667 15.999 > 13 15 O 0.09686540383705 0.90313459616295 0.16666666666667 15.999 > 13 16 O 0.59686540383705 0.90313459616295 0.16666666666667 15.999 > 13 17 O 0.09686540383705 0.40313459616295 0.50000000000000 15.999 > 13 18 O 0.59686540383705 0.40313459616295 0.50000000000000 15.999 > 13 19 O 0.09686540383705 0.90313459616295 0.50000000000000 15.999 > 13 20 O 0.59686540383705 0.90313459616295 0.50000000000000 15.999 > 13 21 O 0.09686540383705 0.40313459616295 0.83333333333333 15.999 > 13 22 O 0.59686540383705 0.40313459616295 0.83333333333333 15.999 > 13 23 O 0.09686540383705 0.90313459616295 0.83333333333333 15.999 > 13 24 O 0.59686540383705 0.90313459616295 0.83333333333333 15.999 > 13 25 O 0.40313459616295 0.09686540383705 0.16666666666667 15.999 > 25 26 O 0.90313459616295 0.09686540383705 0.16666666666667 15.999 > 25 27 O 0.40313459616295 0.59686540383705 0.16666666666667 15.999 > 25 28 O 0.90313459616295 0.59686540383705 0.16666666666667 15.999 > 25 29 O 0.40313459616295 0.09686540383705 0.50000000000000 15.999 > 25 30 O 0.90313459616295 0.09686540383705 0.50000000000000 15.999 > 25 31 O 0.40313459616295 0.59686540383705 0.50000000000000 15.999 > 25 32 O 0.90313459616295 0.59686540383705 0.50000000000000 15.999 > 25 33 O 0.40313459616295 0.09686540383705 0.83333333333333 15.999 > 25 34 O 0.90313459616295 0.09686540383705 0.83333333333333 15.999 > 25 35 O 0.40313459616295 0.59686540383705 0.83333333333333 15.999 > 25 36 O 0.90313459616295 0.59686540383705 0.83333333333333 15.999 > 25 37 O 0.34686540383705 0.34686540383705 0.00000000000000 15.999 > 37 38 O 0.84686540383705 0.34686540383705 0.00000000000000 15.999 > 37 39 O 0.34686540383705 0.84686540383705 0.00000000000000 15.999 > 37 40 O 0.84686540383705 0.84686540383705 0.00000000000000 15.999 > 37 41 O 0.34686540383705 0.34686540383705 0.33333333333333 15.999 > 37 42 O 0.84686540383705 0.34686540383705 0.33333333333333 15.999 > 37 43 O 0.34686540383705 0.84686540383705 0.33333333333333 15.999 > 37 44 O 0.84686540383705 0.84686540383705 0.33333333333333 15.999 > 37 45 O 0.34686540383705 0.34686540383705 0.66666666666667 15.999 > 37 46 O 0.84686540383705 0.34686540383705 0.66666666666667 15.999 > 37 47 O 0.34686540383705 0.84686540383705 0.66666666666667 15.999 > 37 48 O 0.84686540383705 0.84686540383705 0.66666666666667 15.999 > 37 49 Sn 0.25000000000000 0.25000000000000 0.16666666666667 118.710 > 49 50 Sn 0.75000000000000 0.25000000000000 0.16666666666667 118.710 > 49 51 Sn 0.25000000000000 0.75000000000000 0.16666666666667 118.710 > 49 52 Sn 0.75000000000000 0.75000000000000 0.16666666666667 118.710 > 49 53 Sn 0.25000000000000 0.25000000000000 0.50000000000000 118.710 > 49 54 Sn 0.75000000000000 0.25000000000000 0.50000000000000 118.710 > 49 55 Sn 0.25000000000000 0.75000000000000 0.50000000000000 118.710 > 49 56 Sn 0.75000000000000 0.75000000000000 0.50000000000000 118.710 > 49 57 Sn 0.25000000000000 0.25000000000000 0.83333333333333 118.710 > 49 58 Sn 0.75000000000000 0.25000000000000 0.83333333333333 118.710 > 49 59 Sn 0.25000000000000 0.75000000000000 0.83333333333333 118.710 > 49 60 Sn 0.75000000000000 0.75000000000000 0.83333333333333 118.710 > 49 61 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 61 62 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 61 63 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 61 64 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 61 65 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 61 66 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 61 67 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 61 68 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 61 69 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 61 70 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 61 71 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 61 72 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8625388 0.0000000 0.0000000 0.0000000 4.8625388 0.0000000 0.0000000 0.0000000 4.8855690 -------------------------- Born effective charges -------------------------- 1 O -2.0458596 -0.7468609 0.0000000 -0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 2 O -2.0458596 0.7468609 0.0000000 0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 3 O -2.0458596 0.7468609 0.0000000 0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 4 O -2.0458596 -0.7468609 0.0000000 -0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 5 Sn 4.0917191 -0.4720648 0.0000000 -0.4720648 4.0917191 0.0000000 0.0000000 0.0000000 4.4845650 6 Sn 4.0917191 0.4720648 0.0000000 0.4720648 4.0917191 0.0000000 0.0000000 0.0000000 4.4845650 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zxz) 0.00000003 (zxz) 0.00000003 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:48:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:48:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.772606720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772606720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216358560000000 Atomic positions (fractional): 1 O 0.30626919232590 0.30626919232590 0.00000000000000 15.999 2 O 0.19373080767410 0.80626919232590 0.50000000000000 15.999 3 O 0.80626919232590 0.19373080767410 0.50000000000000 15.999 4 O 0.69373080767410 0.69373080767410 0.00000000000000 15.999 5 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.545213439999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.545213439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649075680000001 Atomic positions (fractional): 1 O 0.15313459616295 0.15313459616295 0.00000000000000 15.999 > 1 2 O 0.65313459616295 0.15313459616295 0.00000000000000 15.999 > 1 3 O 0.15313459616295 0.65313459616295 0.00000000000000 15.999 > 1 4 O 0.65313459616295 0.65313459616295 0.00000000000000 15.999 > 1 5 O 0.15313459616295 0.15313459616295 0.33333333333333 15.999 > 1 6 O 0.65313459616295 0.15313459616295 0.33333333333333 15.999 > 1 7 O 0.15313459616295 0.65313459616295 0.33333333333333 15.999 > 1 8 O 0.65313459616295 0.65313459616295 0.33333333333333 15.999 > 1 9 O 0.15313459616295 0.15313459616295 0.66666666666667 15.999 > 1 10 O 0.65313459616295 0.15313459616295 0.66666666666667 15.999 > 1 11 O 0.15313459616295 0.65313459616295 0.66666666666667 15.999 > 1 12 O 0.65313459616295 0.65313459616295 0.66666666666667 15.999 > 1 13 O 0.09686540383705 0.40313459616295 0.16666666666667 15.999 > 13 14 O 0.59686540383705 0.40313459616295 0.16666666666667 15.999 > 13 15 O 0.09686540383705 0.90313459616295 0.16666666666667 15.999 > 13 16 O 0.59686540383705 0.90313459616295 0.16666666666667 15.999 > 13 17 O 0.09686540383705 0.40313459616295 0.50000000000000 15.999 > 13 18 O 0.59686540383705 0.40313459616295 0.50000000000000 15.999 > 13 19 O 0.09686540383705 0.90313459616295 0.50000000000000 15.999 > 13 20 O 0.59686540383705 0.90313459616295 0.50000000000000 15.999 > 13 21 O 0.09686540383705 0.40313459616295 0.83333333333333 15.999 > 13 22 O 0.59686540383705 0.40313459616295 0.83333333333333 15.999 > 13 23 O 0.09686540383705 0.90313459616295 0.83333333333333 15.999 > 13 24 O 0.59686540383705 0.90313459616295 0.83333333333333 15.999 > 13 25 O 0.40313459616295 0.09686540383705 0.16666666666667 15.999 > 25 26 O 0.90313459616295 0.09686540383705 0.16666666666667 15.999 > 25 27 O 0.40313459616295 0.59686540383705 0.16666666666667 15.999 > 25 28 O 0.90313459616295 0.59686540383705 0.16666666666667 15.999 > 25 29 O 0.40313459616295 0.09686540383705 0.50000000000000 15.999 > 25 30 O 0.90313459616295 0.09686540383705 0.50000000000000 15.999 > 25 31 O 0.40313459616295 0.59686540383705 0.50000000000000 15.999 > 25 32 O 0.90313459616295 0.59686540383705 0.50000000000000 15.999 > 25 33 O 0.40313459616295 0.09686540383705 0.83333333333333 15.999 > 25 34 O 0.90313459616295 0.09686540383705 0.83333333333333 15.999 > 25 35 O 0.40313459616295 0.59686540383705 0.83333333333333 15.999 > 25 36 O 0.90313459616295 0.59686540383705 0.83333333333333 15.999 > 25 37 O 0.34686540383705 0.34686540383705 0.00000000000000 15.999 > 37 38 O 0.84686540383705 0.34686540383705 0.00000000000000 15.999 > 37 39 O 0.34686540383705 0.84686540383705 0.00000000000000 15.999 > 37 40 O 0.84686540383705 0.84686540383705 0.00000000000000 15.999 > 37 41 O 0.34686540383705 0.34686540383705 0.33333333333333 15.999 > 37 42 O 0.84686540383705 0.34686540383705 0.33333333333333 15.999 > 37 43 O 0.34686540383705 0.84686540383705 0.33333333333333 15.999 > 37 44 O 0.84686540383705 0.84686540383705 0.33333333333333 15.999 > 37 45 O 0.34686540383705 0.34686540383705 0.66666666666667 15.999 > 37 46 O 0.84686540383705 0.34686540383705 0.66666666666667 15.999 > 37 47 O 0.34686540383705 0.84686540383705 0.66666666666667 15.999 > 37 48 O 0.84686540383705 0.84686540383705 0.66666666666667 15.999 > 37 49 Sn 0.25000000000000 0.25000000000000 0.16666666666667 118.710 > 49 50 Sn 0.75000000000000 0.25000000000000 0.16666666666667 118.710 > 49 51 Sn 0.25000000000000 0.75000000000000 0.16666666666667 118.710 > 49 52 Sn 0.75000000000000 0.75000000000000 0.16666666666667 118.710 > 49 53 Sn 0.25000000000000 0.25000000000000 0.50000000000000 118.710 > 49 54 Sn 0.75000000000000 0.25000000000000 0.50000000000000 118.710 > 49 55 Sn 0.25000000000000 0.75000000000000 0.50000000000000 118.710 > 49 56 Sn 0.75000000000000 0.75000000000000 0.50000000000000 118.710 > 49 57 Sn 0.25000000000000 0.25000000000000 0.83333333333333 118.710 > 49 58 Sn 0.75000000000000 0.25000000000000 0.83333333333333 118.710 > 49 59 Sn 0.25000000000000 0.75000000000000 0.83333333333333 118.710 > 49 60 Sn 0.75000000000000 0.75000000000000 0.83333333333333 118.710 > 49 61 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 61 62 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 61 63 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 61 64 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 61 65 Sn 0.00000000000000 0.00000000000000 0.33333333333333 118.710 > 61 66 Sn 0.50000000000000 0.00000000000000 0.33333333333333 118.710 > 61 67 Sn 0.00000000000000 0.50000000000000 0.33333333333333 118.710 > 61 68 Sn 0.50000000000000 0.50000000000000 0.33333333333333 118.710 > 61 69 Sn 0.00000000000000 0.00000000000000 0.66666666666667 118.710 > 61 70 Sn 0.50000000000000 0.00000000000000 0.66666666666667 118.710 > 61 71 Sn 0.00000000000000 0.50000000000000 0.66666666666667 118.710 > 61 72 Sn 0.50000000000000 0.50000000000000 0.66666666666667 118.710 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8625388 0.0000000 0.0000000 0.0000000 4.8625388 0.0000000 0.0000000 0.0000000 4.8855690 -------------------------- Born effective charges -------------------------- 1 O -2.0458596 -0.7468609 0.0000000 -0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 2 O -2.0458596 0.7468609 0.0000000 0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 3 O -2.0458596 0.7468609 0.0000000 0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 4 O -2.0458596 -0.7468609 0.0000000 -0.7468609 -2.0458596 0.0000000 0.0000000 0.0000000 -2.2422825 5 Sn 4.0917191 -0.4720648 0.0000000 -0.4720648 4.0917191 0.0000000 0.0000000 0.0000000 4.4845650 6 Sn 4.0917191 0.4720648 0.0000000 0.4720648 4.0917191 0.0000000 0.0000000 0.0000000 4.4845650 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zxz) 0.00000003 (zxz) 0.00000003 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 16 ] 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: 0.99, Number of G-points: 315, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 16.410 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 18.262 ( 0.000 0.000 0.000) 0.000 21.980 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 35.555 0.000 0.000) 35.555 1.070 ( 50.646 0.000 0.000) 50.646 1.245 ( 58.817 0.000 0.000) 58.817 3.243 ( 17.296 0.000 0.000) 17.296 4.260 ( -3.959 0.000 0.000) 3.959 6.577 ( 0.457 0.000 0.000) 0.457 7.643 ( -5.402 0.000 0.000) 5.402 8.027 ( -12.158 0.000 0.000) 12.158 9.569 ( -0.528 0.000 0.000) 0.528 10.231 ( -0.365 0.000 0.000) 0.365 13.323 ( -7.976 0.000 0.000) 7.976 13.607 ( -1.926 0.000 0.000) 1.926 13.866 ( 15.671 0.000 0.000) 15.671 16.369 ( -3.958 0.000 0.000) 3.958 17.355 ( -0.662 0.000 0.000) 0.662 18.184 ( -6.965 0.000 0.000) 6.965 21.123 ( 7.048 0.000 0.000) 7.048 21.987 ( 0.636 0.000 0.000) 0.636 ======================= Grid point 2 (3/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 33.339 0.000 0.000) 33.339 2.112 ( 48.453 0.000 0.000) 48.453 2.452 ( 56.142 0.000 0.000) 56.142 3.712 ( 25.597 0.000 0.000) 25.597 4.135 ( -8.014 0.000 0.000) 8.014 6.581 ( -0.431 0.000 0.000) 0.431 7.468 ( -11.289 0.000 0.000) 11.289 7.674 ( -20.839 0.000 0.000) 20.839 9.563 ( 0.200 0.000 0.000) 0.200 10.200 ( -2.972 0.000 0.000) 2.972 13.196 ( -4.062 0.000 0.000) 4.062 13.548 ( -3.599 0.000 0.000) 3.599 14.227 ( 18.435 0.000 0.000) 18.435 16.245 ( -7.850 0.000 0.000) 7.850 17.340 ( -0.592 0.000 0.000) 0.592 17.996 ( -10.384 0.000 0.000) 10.384 21.316 ( 10.631 0.000 0.000) 10.631 22.002 ( 0.629 0.000 0.000) 0.629 ======================= Grid point 3 (4/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 29.956 0.000 0.000) 29.956 3.084 ( 43.860 0.000 0.000) 43.860 3.583 ( 51.381 0.000 0.000) 51.381 3.923 ( -12.244 0.000 0.000) 12.244 4.242 ( 23.301 0.000 0.000) 23.301 6.531 ( -5.581 0.000 0.000) 5.581 7.181 ( -15.531 0.000 0.000) 15.531 7.190 ( -23.859 0.000 0.000) 23.859 9.587 ( 2.182 0.000 0.000) 2.182 10.101 ( -6.345 0.000 0.000) 6.345 13.151 ( -0.320 0.000 0.000) 0.320 13.459 ( -4.751 0.000 0.000) 4.751 14.628 ( 19.546 0.000 0.000) 19.546 16.041 ( -11.557 0.000 0.000) 11.557 17.337 ( 0.490 0.000 0.000) 0.490 17.775 ( -10.202 0.000 0.000) 10.202 21.544 ( 10.651 0.000 0.000) 10.651 22.006 ( -0.422 0.000 0.000) 0.422 ======================= Grid point 4 (5/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 25.794 0.000 0.000) 25.794 3.620 ( -16.680 0.000 0.000) 16.680 3.918 ( 34.625 0.000 0.000) 34.625 4.496 ( 21.101 0.000 0.000) 21.101 4.702 ( 32.932 0.000 0.000) 32.932 6.232 ( -25.417 0.000 0.000) 25.417 6.798 ( -10.750 0.000 0.000) 10.750 6.866 ( -12.775 0.000 0.000) 12.775 9.659 ( 4.736 0.000 0.000) 4.736 9.946 ( -8.003 0.000 0.000) 8.003 13.177 ( 2.603 0.000 0.000) 2.603 13.354 ( -5.106 0.000 0.000) 5.106 15.036 ( 19.181 0.000 0.000) 19.181 15.763 ( -14.877 0.000 0.000) 14.877 17.367 ( 2.469 0.000 0.000) 2.469 17.582 ( -7.968 0.000 0.000) 7.968 21.747 ( 8.494 0.000 0.000) 8.494 21.977 ( -2.561 0.000 0.000) 2.561 ======================= Grid point 5 (6/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -21.260 0.000 0.000) 21.260 3.223 ( 21.260 0.000 0.000) 21.260 4.470 ( -16.094 0.000 0.000) 16.094 4.470 ( 16.094 0.000 0.000) 16.094 5.538 ( -38.547 0.000 0.000) 38.547 5.538 ( 38.547 0.000 0.000) 38.547 6.710 ( -1.578 0.000 0.000) 1.578 6.710 ( 1.578 0.000 0.000) 1.578 9.784 ( -7.112 0.000 0.000) 7.112 9.784 ( 7.112 0.000 0.000) 7.112 13.253 ( -4.430 0.000 0.000) 4.430 13.253 ( 4.430 0.000 0.000) 4.430 15.422 ( -17.527 0.000 0.000) 17.527 15.422 ( 17.527 0.000 0.000) 17.527 17.445 ( -5.101 0.000 0.000) 5.101 17.445 ( 5.101 0.000 0.000) 5.101 21.894 ( -5.471 0.000 0.000) 5.471 21.894 ( 5.471 0.000 0.000) 5.471 ======================= Grid point 12 (7/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 16.009 16.009 0.000) 22.640 1.060 ( 24.534 24.534 0.000) 34.696 2.185 ( 50.417 50.417 0.000) 71.301 3.424 ( 16.373 16.373 0.000) 23.155 4.221 ( -3.700 -3.700 0.000) 5.232 6.615 ( 1.885 1.885 0.000) 2.666 7.405 ( -14.499 -14.499 0.000) 20.504 8.110 ( -2.469 -2.469 0.000) 3.492 9.524 ( -1.707 -1.707 0.000) 2.415 10.237 ( 0.238 0.238 0.000) 0.337 13.250 ( -4.849 -4.849 0.000) 6.858 13.639 ( 0.585 0.585 0.000) 0.828 13.968 ( 10.087 10.087 0.000) 14.265 16.328 ( -3.913 -3.913 0.000) 5.534 17.374 ( 0.528 0.528 0.000) 0.747 18.114 ( -6.391 -6.391 0.000) 9.038 21.122 ( 3.425 3.425 0.000) 4.844 22.028 ( 1.744 1.744 0.000) 2.466 ======================= Grid point 13 (8/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 47.377 -26.884 0.000) 54.473 1.640 ( 29.042 14.299 0.000) 32.372 3.230 ( 48.525 44.247 0.000) 65.669 3.871 ( 24.569 14.521 0.000) 28.539 4.104 ( -7.508 -2.936 0.000) 8.061 6.627 ( -1.353 3.454 0.000) 3.710 7.058 ( -18.744 -25.413 0.000) 31.578 7.916 ( -14.000 8.381 0.000) 16.317 9.522 ( 1.190 -2.596 0.000) 2.856 10.222 ( -2.121 1.713 0.000) 2.726 13.170 ( -2.402 -1.697 0.000) 2.941 13.608 ( -3.160 4.400 0.000) 5.417 14.257 ( 16.403 3.242 0.000) 16.721 16.205 ( -7.754 -3.771 0.000) 8.623 17.370 ( -0.531 2.172 0.000) 2.236 17.941 ( -9.460 -4.939 0.000) 10.672 21.272 ( 9.692 -1.862 0.000) 9.869 22.044 ( -0.077 2.430 0.000) 2.431 ======================= Grid point 14 (9/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 27.580 8.591 0.000) 28.888 2.507 ( 48.316 -33.291 0.000) 58.675 3.905 ( -11.505 -1.700 0.000) 11.630 4.183 ( 40.720 35.404 0.000) 53.959 4.385 ( 23.545 13.796 0.000) 27.289 6.429 ( -21.029 -18.000 0.000) 27.680 6.755 ( -5.758 -9.965 0.000) 11.509 7.569 ( -18.556 12.932 0.000) 22.618 9.569 ( 3.383 -1.021 0.000) 3.534 10.138 ( -5.844 3.192 0.000) 6.659 13.154 ( 0.868 0.639 0.000) 1.078 13.521 ( -4.926 5.243 0.000) 7.194 14.627 ( 18.540 0.137 0.000) 18.540 16.004 ( -11.398 -3.517 0.000) 11.928 17.364 ( 0.126 2.226 0.000) 2.229 17.741 ( -9.191 -3.063 0.000) 9.688 21.491 ( 10.679 -3.693 0.000) 11.300 22.027 ( -1.654 1.023 0.000) 1.944 ======================= Grid point 15 (10/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 24.172 4.879 0.000) 24.660 3.480 ( 43.812 -30.388 0.000) 53.319 3.621 ( -15.711 -0.015 0.000) 15.711 4.619 ( 1.332 5.958 0.000) 6.105 5.022 ( 31.977 23.973 0.000) 39.966 5.932 ( -22.004 -23.310 0.000) 32.055 6.715 ( 0.783 1.441 0.000) 1.640 7.163 ( -19.279 13.930 0.000) 23.785 9.666 ( 5.866 0.999 0.000) 5.951 9.987 ( -8.221 3.677 0.000) 9.006 13.202 ( 3.528 2.490 0.000) 4.318 13.409 ( -5.580 4.895 0.000) 7.422 15.019 ( 18.588 -1.503 0.000) 18.649 15.730 ( -14.632 -3.112 0.000) 14.960 17.383 ( 1.911 1.488 0.000) 2.422 17.569 ( -7.070 -1.215 0.000) 7.173 21.701 ( 9.059 -3.734 0.000) 9.798 21.971 ( -3.788 -0.967 0.000) 3.910 ======================= Grid point 16 (11/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -20.027 2.136 0.000) 20.140 3.246 ( 20.027 2.136 0.000) 20.140 4.286 ( -30.726 -17.481 0.000) 35.351 4.286 ( 30.726 -17.481 0.000) 35.351 5.547 ( -18.371 2.834 0.000) 18.589 5.547 ( 18.371 2.834 0.000) 18.589 6.826 ( -11.107 8.915 0.000) 14.242 6.826 ( 11.107 8.915 0.000) 14.242 9.813 ( -7.962 2.798 0.000) 8.439 9.813 ( 7.962 2.798 0.000) 8.439 13.295 ( -5.134 3.923 0.000) 6.462 13.295 ( 5.134 3.923 0.000) 6.462 15.396 ( -17.151 -2.487 0.000) 17.331 15.396 ( 17.151 -2.487 0.000) 17.331 17.448 ( -4.382 0.323 0.000) 4.393 17.448 ( 4.382 0.323 0.000) 4.393 21.864 ( -6.435 -2.704 0.000) 6.980 21.864 ( 6.435 -2.704 0.000) 6.980 ======================= Grid point 24 (12/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 13.505 13.505 0.000) 19.099 2.023 ( 21.031 21.031 0.000) 29.742 4.011 ( -6.029 -6.029 0.000) 8.526 4.139 ( 41.631 41.631 0.000) 58.875 4.273 ( 22.499 22.499 0.000) 31.818 6.463 ( -30.087 -30.087 0.000) 42.549 6.701 ( 1.876 1.876 0.000) 2.653 7.933 ( -6.134 -6.134 0.000) 8.675 9.504 ( 1.340 1.340 0.000) 1.895 10.248 ( 0.190 0.190 0.000) 0.268 13.153 ( 0.415 0.415 0.000) 0.587 13.674 ( 1.021 1.021 0.000) 1.444 14.387 ( 9.534 9.534 0.000) 13.483 16.087 ( -7.453 -7.453 0.000) 10.540 17.405 ( 0.923 0.923 0.000) 1.305 17.808 ( -7.198 -7.198 0.000) 10.180 21.299 ( 4.532 4.532 0.000) 6.409 22.064 ( -0.669 -0.669 0.000) 0.947 ======================= Grid point 25 (13/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 39.308 -19.002 0.000) 43.660 2.481 ( 21.923 13.846 0.000) 25.930 3.850 ( -9.376 -3.673 0.000) 10.070 4.722 ( 16.963 21.146 0.000) 27.109 4.946 ( 34.239 32.654 0.000) 47.314 5.801 ( -30.166 -36.168 0.000) 47.097 6.731 ( 1.051 1.692 0.000) 1.992 7.705 ( -14.594 0.094 0.000) 14.595 9.575 ( 5.207 2.119 0.000) 5.622 10.211 ( -3.909 3.120 0.000) 5.001 13.192 ( 3.249 3.106 0.000) 4.495 13.644 ( -3.560 5.597 0.000) 6.633 14.647 ( 14.722 2.253 0.000) 14.893 15.895 ( -10.894 -6.901 0.000) 12.895 17.413 ( 0.149 2.172 0.000) 2.177 17.659 ( -6.667 -4.371 0.000) 7.972 21.439 ( 8.194 -0.661 0.000) 8.221 22.020 ( -3.418 -1.897 0.000) 3.909 ======================= Grid point 26 (14/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 45.299 -29.658 0.000) 54.144 2.922 ( 19.901 8.060 0.000) 21.471 3.616 ( -12.968 -0.537 0.000) 12.979 4.613 ( -31.044 -12.717 0.000) 33.547 5.521 ( 16.058 11.884 0.000) 19.977 5.533 ( 10.224 3.262 0.000) 10.732 6.777 ( 4.828 2.939 0.000) 5.653 7.355 ( -18.135 3.872 0.000) 18.544 9.716 ( 8.050 4.028 0.000) 9.002 10.086 ( -7.811 5.266 0.000) 9.420 13.284 ( 5.415 5.349 0.000) 7.612 13.541 ( -5.875 7.229 0.000) 9.315 14.979 ( 16.468 -2.088 0.000) 16.600 15.634 ( -13.833 -5.996 0.000) 15.077 17.422 ( 0.924 2.026 0.000) 2.226 17.538 ( -4.814 -1.555 0.000) 5.058 21.619 ( 8.607 -3.533 0.000) 9.304 21.925 ( -5.568 -3.413 0.000) 6.531 ======================= Grid point 27 (15/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -16.624 3.346 0.000) 16.957 3.306 ( 16.624 3.346 0.000) 16.957 3.779 ( -44.184 -29.258 0.000) 52.993 3.779 ( 44.184 -29.258 0.000) 52.993 5.694 ( -2.694 10.655 0.000) 10.990 5.694 ( 2.694 10.655 0.000) 10.990 6.989 ( -15.232 5.154 0.000) 16.081 6.989 ( 15.232 5.154 0.000) 16.081 9.901 ( -9.287 5.530 0.000) 10.809 9.901 ( 9.287 5.530 0.000) 10.809 13.410 ( -6.377 6.866 0.000) 9.370 13.410 ( 6.377 6.866 0.000) 9.370 15.321 ( -15.879 -4.535 0.000) 16.514 15.321 ( 15.879 -4.535 0.000) 16.514 17.459 ( -2.700 0.688 0.000) 2.787 17.459 ( 2.700 0.688 0.000) 2.787 21.789 ( -7.397 -4.238 0.000) 8.525 21.789 ( 7.397 -4.238 0.000) 8.525 ======================= Grid point 36 (16/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 10.531 10.531 0.000) 14.894 2.792 ( 15.312 15.312 0.000) 21.655 3.749 ( -6.070 -6.070 0.000) 8.584 4.956 ( -39.587 -39.587 0.000) 55.985 5.203 ( 20.970 20.970 0.000) 29.656 5.574 ( 24.918 24.918 0.000) 35.239 6.757 ( 0.834 0.834 0.000) 1.180 7.596 ( -9.742 -9.742 0.000) 13.777 9.667 ( 6.541 6.541 0.000) 9.250 10.244 ( -0.448 -0.448 0.000) 0.634 13.284 ( 5.633 5.633 0.000) 7.966 13.720 ( 1.112 1.112 0.000) 1.573 14.743 ( 7.254 7.254 0.000) 10.258 15.717 ( -9.936 -9.936 0.000) 14.051 17.447 ( 1.023 1.023 0.000) 1.447 17.572 ( -3.688 -3.688 0.000) 5.216 21.469 ( 3.344 3.344 0.000) 4.729 21.949 ( -4.658 -4.658 0.000) 6.588 ======================= Grid point 37 (17/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 33.569 -17.439 0.000) 37.829 3.104 ( 14.185 8.958 0.000) 16.777 3.593 ( -8.845 -1.817 0.000) 9.030 4.053 ( -44.344 -35.523 0.000) 56.818 5.649 ( 19.256 14.080 0.000) 23.854 5.962 ( 10.090 18.354 0.000) 20.944 6.803 ( 5.279 -0.607 0.000) 5.314 7.331 ( -14.721 -5.586 0.000) 15.745 9.837 ( 9.220 7.274 0.000) 11.744 10.183 ( -5.320 3.485 0.000) 6.359 13.420 ( 7.063 7.369 0.000) 10.207 13.686 ( -4.063 5.895 0.000) 7.159 14.947 ( 11.758 -0.468 0.000) 11.768 15.483 ( -12.244 -8.287 0.000) 14.785 17.461 ( 0.510 1.551 0.000) 1.633 17.510 ( -2.235 -1.003 0.000) 2.450 21.567 ( 5.733 -1.238 0.000) 5.865 21.834 ( -6.174 -5.079 0.000) 7.995 ======================= Grid point 38 (18/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -42.673 -30.772 0.000) 52.611 3.132 ( 42.673 -30.772 0.000) 52.611 3.377 ( -11.731 3.220 0.000) 12.165 3.377 ( 11.731 3.220 0.000) 12.165 5.960 ( -9.093 14.042 0.000) 16.729 5.960 ( 9.093 14.042 0.000) 16.729 7.017 ( -14.099 -2.438 0.000) 14.309 7.017 ( 14.099 -2.438 0.000) 14.309 10.031 ( -8.787 6.376 0.000) 10.856 10.031 ( 8.787 6.376 0.000) 10.856 13.568 ( -6.743 7.785 0.000) 10.300 13.568 ( 6.743 7.785 0.000) 10.300 15.214 ( -13.186 -5.446 0.000) 14.266 15.214 ( 13.186 -5.446 0.000) 14.266 17.476 ( -1.067 0.879 0.000) 1.383 17.476 ( 1.067 0.879 0.000) 1.383 21.698 ( -6.547 -4.099 0.000) 7.725 21.698 ( 6.547 -4.099 0.000) 7.725 ======================= Grid point 48 (19/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 279 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 6.380 6.380 0.000) 9.023 3.269 ( -37.305 -37.305 0.000) 52.758 3.284 ( 8.012 8.012 0.000) 11.331 3.535 ( -3.769 -3.769 0.000) 5.330 5.979 ( 15.671 15.671 0.000) 22.163 6.264 ( 8.715 8.715 0.000) 12.325 6.781 ( 0.412 0.412 0.000) 0.583 7.149 ( -11.079 -11.079 0.000) 15.668 10.002 ( 7.951 7.951 0.000) 11.245 10.214 ( -0.839 -0.839 0.000) 1.186 13.580 ( 7.491 7.491 0.000) 10.594 13.760 ( 0.732 0.732 0.000) 1.035 14.980 ( 3.894 3.894 0.000) 5.507 15.296 ( -9.324 -9.324 0.000) 13.186 17.484 ( 0.694 0.694 0.000) 0.981 17.497 ( -0.303 -0.303 0.000) 0.429 21.570 ( 1.502 1.502 0.000) 2.125 21.724 ( -5.160 -5.160 0.000) 7.297 ======================= Grid point 49 (20/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -27.939 -21.288 0.000) 35.125 2.565 ( 27.939 -21.288 0.000) 35.125 3.433 ( -6.028 1.931 0.000) 6.330 3.433 ( 6.028 1.931 0.000) 6.330 6.252 ( -8.894 12.915 0.000) 15.681 6.252 ( 8.894 12.915 0.000) 15.681 6.906 ( -10.738 -7.301 0.000) 12.985 6.906 ( 10.738 -7.301 0.000) 12.985 10.147 ( -5.380 4.181 0.000) 6.814 10.147 ( 5.380 4.181 0.000) 6.814 13.714 ( -4.810 5.547 0.000) 7.342 13.714 ( 4.810 5.547 0.000) 7.342 15.109 ( -8.042 -4.096 0.000) 9.025 15.109 ( 8.042 -4.096 0.000) 9.025 17.493 ( -0.192 0.634 0.000) 0.662 17.493 ( 0.192 0.634 0.000) 0.662 21.627 ( -3.819 -2.478 0.000) 4.552 21.627 ( 3.819 -2.478 0.000) 4.552 ======================= Grid point 65 (21/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 13.776 ( 0.000 0.000 0.000) 0.000 13.776 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 17.500 ( 0.000 0.000 0.000) 0.000 17.500 ( 0.000 0.000 0.000) 0.000 21.601 ( 0.000 0.000 0.000) 0.000 21.601 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (22/189) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -0.000 -0.000 34.775) 34.775 0.681 ( 0.000 0.000 34.775) 34.775 1.483 ( 0.000 0.000 75.746) 75.746 3.190 ( 0.000 0.000 13.881) 13.881 4.557 ( 0.000 0.000 25.254) 25.254 6.553 ( 0.000 0.000 -1.736) 1.736 6.553 ( -0.000 0.000 -1.736) 1.736 8.098 ( 0.000 0.000 -6.031) 6.031 8.098 ( -0.000 -0.000 -6.031) 6.031 10.188 ( -0.000 -0.000 -4.513) 4.513 13.745 ( 0.000 0.000 11.914) 11.914 13.745 ( 0.000 0.000 11.914) 11.914 16.439 ( -0.000 0.000 2.934) 2.934 17.338 ( 0.000 0.000 -2.484) 2.484 17.338 ( -0.000 -0.000 -2.484) 2.484 18.282 ( 0.000 0.000 2.021) 2.021 19.455 ( -0.000 -0.000 -1.077) 1.077 21.949 ( 0.000 0.000 -3.181) 3.181 ======================= Grid point 122 (23/189) ======================= q-point: ( 0.10 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 27.951 0.000 22.566) 35.923 1.242 ( 41.087 0.000 16.534) 44.289 1.918 ( 36.359 0.000 58.169) 68.598 3.364 ( 15.755 0.000 12.157) 19.900 4.518 ( -3.656 0.000 25.435) 25.697 6.558 ( 0.321 0.000 -1.856) 1.884 7.338 ( 22.215 0.000 -27.378) 35.257 7.973 ( -11.599 0.000 -5.388) 12.789 8.412 ( 30.644 0.000 -41.503) 51.590 10.183 ( -0.697 0.000 -4.884) 4.933 13.727 ( -1.704 0.000 12.136) 12.255 13.768 ( 0.455 0.000 13.574) 13.582 15.254 ( -77.416 0.000 79.266) 110.798 16.377 ( -5.768 0.000 0.786) 5.821 17.348 ( 0.903 0.000 -0.614) 1.092 18.302 ( -6.474 0.000 11.044) 12.802 20.565 ( 37.951 0.000 -38.629) 54.152 21.955 ( 0.498 0.000 -3.325) 3.362 ======================= Grid point 123 (24/189) ======================= q-point: ( 0.20 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 31.807 0.000 16.620) 35.888 2.158 ( 44.360 0.000 5.276) 44.673 2.815 ( 46.450 0.000 36.475) 59.059 3.794 ( 23.767 0.000 8.536) 25.254 4.404 ( -7.192 0.000 26.053) 27.028 6.557 ( -0.734 0.000 -2.251) 2.367 7.386 ( -8.542 0.000 -8.330) 11.931 7.636 ( -19.913 0.000 -3.724) 20.259 8.980 ( 19.770 0.000 -43.291) 47.592 10.143 ( -3.427 0.000 -5.708) 6.658 13.652 ( -10.930 0.000 29.697) 31.644 13.675 ( -3.187 0.000 12.760) 13.152 14.528 ( -3.468 0.000 29.466) 29.670 16.208 ( -10.110 0.000 -3.674) 10.757 17.373 ( 1.383 0.000 3.235) 3.518 18.112 ( -10.629 0.000 11.540) 15.689 21.091 ( 18.095 0.000 -20.642) 27.451 21.965 ( 0.356 0.000 -3.754) 3.771 ======================= Grid point 124 (25/189) ======================= q-point: ( 0.30 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 29.700 0.000 16.331) 33.894 3.049 ( 39.219 0.000 -1.266) 39.239 3.797 ( 46.405 0.000 22.397) 51.527 4.226 ( -9.175 0.000 27.500) 28.990 4.289 ( 21.733 0.000 5.212) 22.349 6.501 ( -5.826 0.000 -2.807) 6.467 7.122 ( -15.238 0.000 -5.973) 16.367 7.174 ( -22.879 0.000 -1.512) 22.929 9.286 ( 11.047 0.000 -26.428) 28.644 10.034 ( -6.894 0.000 -6.683) 9.601 13.460 ( -5.997 0.000 27.290) 27.941 13.597 ( -4.160 0.000 13.715) 14.332 14.681 ( 13.239 0.000 5.023) 14.160 15.964 ( -13.022 0.000 -7.465) 15.010 17.407 ( 1.964 0.000 6.678) 6.961 17.886 ( -10.405 0.000 11.060) 15.185 21.415 ( 13.375 0.000 -12.607) 18.380 21.962 ( -0.827 0.000 -4.459) 4.535 ======================= Grid point 125 (26/189) ======================= q-point: ( 0.40 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 25.458 0.000 16.855) 30.532 3.619 ( 5.435 0.000 1.709) 5.698 4.164 ( 11.903 0.000 21.787) 24.827 4.610 ( 9.592 0.000 8.226) 12.636 4.745 ( 40.797 0.000 8.521) 41.677 6.218 ( -23.331 0.000 -0.824) 23.345 6.782 ( -11.906 0.000 -1.414) 11.989 6.812 ( -12.432 0.000 -5.383) 13.547 9.488 ( 8.901 0.000 -16.013) 18.320 9.865 ( -8.921 0.000 -8.032) 12.004 13.399 ( -0.292 0.000 21.015) 21.017 13.507 ( -4.224 0.000 15.067) 15.648 14.998 ( 16.187 0.000 -3.632) 16.589 15.669 ( -14.997 0.000 -9.016) 17.499 17.460 ( 3.242 0.000 8.885) 9.458 17.690 ( -8.120 0.000 10.597) 13.350 21.658 ( 9.819 0.000 -8.891) 13.246 21.923 ( -3.117 0.000 -5.448) 6.277 ======================= Grid point 126 (27/189) ======================= q-point: (-0.50 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -19.182 0.000 15.442) 24.625 3.390 ( 19.182 0.000 15.442) 24.625 4.545 ( -14.399 0.000 6.979) 16.001 4.545 ( 14.399 0.000 6.979) 16.001 5.572 ( -36.288 0.000 4.587) 36.576 5.572 ( 36.288 0.000 4.587) 36.576 6.669 ( -0.612 0.000 -3.914) 3.962 6.669 ( 0.612 0.000 -3.914) 3.962 9.674 ( -9.051 0.000 -10.627) 13.958 9.674 ( 9.051 0.000 -10.627) 13.958 13.430 ( -2.911 0.000 17.222) 17.467 13.430 ( 2.911 0.000 17.222) 17.467 15.340 ( -16.199 0.000 -7.814) 17.985 15.340 ( 16.199 0.000 -7.814) 17.985 17.549 ( -5.405 0.000 10.023) 11.388 17.549 ( 5.405 0.000 10.023) 11.388 21.826 ( -6.268 0.000 -6.816) 9.260 21.826 ( 6.268 0.000 -6.816) 9.260 ======================= Grid point 133 (28/189) ======================= q-point: ( 0.10 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 11.200 11.200 23.720) 28.522 1.528 ( 21.454 21.454 31.884) 44.014 2.457 ( 39.964 39.964 31.990) 64.943 3.528 ( 15.003 15.003 10.612) 23.724 4.485 ( -3.212 -3.212 25.769) 26.166 6.594 ( 1.751 1.751 -2.063) 3.223 7.288 ( -7.734 -7.734 -11.853) 16.128 8.053 ( -2.325 -2.325 -5.695) 6.576 8.601 ( 19.915 19.915 -53.414) 60.384 10.185 ( -0.115 -0.115 -5.279) 5.282 13.709 ( -4.479 -4.479 18.386) 19.446 13.761 ( 0.736 0.736 12.219) 12.264 14.749 ( -27.821 -27.821 61.744) 73.215 16.355 ( -4.201 -4.201 3.338) 6.814 17.348 ( 0.468 0.468 -2.623) 2.706 18.233 ( -6.477 -6.477 11.549) 14.741 20.781 ( 15.119 15.119 -28.440) 35.581 21.981 ( 1.599 1.599 -4.220) 4.788 ======================= Grid point 134 (29/189) ======================= q-point: ( 0.20 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 35.937 -13.587 10.193) 39.749 2.080 ( 30.253 7.205 31.536) 44.291 3.348 ( 42.531 35.946 15.669) 57.849 3.941 ( 22.857 13.433 7.284) 27.494 4.389 ( -5.518 -1.166 26.859) 27.445 6.602 ( -1.686 3.333 -2.457) 4.470 7.011 ( -17.188 -24.207 -4.612) 30.045 7.862 ( -13.587 8.577 -5.476) 16.976 9.014 ( 16.420 3.840 -40.009) 43.417 10.161 ( -2.610 1.328 -6.158) 6.819 13.557 ( -8.196 -5.682 27.418) 29.175 13.745 ( -2.663 3.672 14.152) 14.861 14.492 ( 1.870 -1.876 22.498) 22.653 16.200 ( -9.995 -1.745 -0.209) 10.148 17.369 ( 1.357 -0.119 -0.139) 1.370 18.054 ( -9.847 -5.279 11.199) 15.819 21.093 ( 14.379 1.402 -16.813) 22.167 22.000 ( 0.045 2.186 -4.336) 4.856 ======================= Grid point 135 (30/189) ======================= q-point: ( 0.30 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 34.003 -9.083 5.560) 35.631 2.776 ( 35.879 -9.881 23.604) 44.069 4.026 ( 7.519 5.931 13.780) 16.781 4.409 ( 19.785 15.724 14.566) 29.169 4.424 ( 22.917 18.952 11.245) 31.793 6.401 ( -20.295 -17.214 -2.352) 26.715 6.728 ( -5.766 -9.833 -2.632) 11.699 7.525 ( -18.178 12.725 -4.482) 22.637 9.291 ( 10.918 0.914 -24.824) 27.134 10.067 ( -6.388 2.781 -7.164) 9.993 13.430 ( -3.373 -1.543 24.431) 24.710 13.666 ( -4.566 5.297 14.655) 16.238 14.676 ( 13.158 -0.327 4.422) 13.885 15.955 ( -13.163 -1.263 -4.687) 14.030 17.402 ( 1.902 -0.292 3.776) 4.238 17.846 ( -9.593 -3.710 10.369) 14.605 21.379 ( 12.725 -2.401 -11.048) 17.022 21.981 ( -1.838 1.065 -4.532) 5.005 ======================= Grid point 136 (31/189) ======================= q-point: ( 0.40 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 26.278 -1.165 11.227) 28.599 3.492 ( 23.855 -12.305 7.125) 27.771 3.936 ( -0.244 -10.417 25.603) 27.642 4.678 ( 1.319 4.833 4.938) 7.035 5.073 ( 29.980 22.280 6.571) 37.926 5.927 ( -20.816 -22.689 0.346) 30.793 6.683 ( 0.486 1.567 -3.148) 3.550 7.125 ( -19.061 13.871 -3.789) 23.876 9.500 ( 9.544 1.431 -15.639) 18.376 9.901 ( -9.066 3.320 -8.450) 12.831 13.411 ( 1.242 1.605 19.815) 19.919 13.564 ( -4.919 4.924 15.392) 16.892 14.988 ( 15.991 -0.888 -3.039) 16.301 15.657 ( -15.091 -1.271 -7.007) 16.687 17.452 ( 3.020 -0.598 6.663) 7.340 17.665 ( -7.470 -2.287 9.480) 12.284 21.620 ( 10.149 -3.054 -8.090) 13.333 21.919 ( -4.217 -0.710 -5.204) 6.736 ======================= Grid point 137 (32/189) ======================= q-point: (-0.50 0.10 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -18.695 0.209 13.440) 23.026 3.396 ( 18.695 0.209 13.440) 23.026 4.386 ( -26.380 -14.824 9.978) 31.862 4.386 ( 26.380 -14.824 9.978) 31.862 5.566 ( -17.205 1.577 2.862) 17.512 5.566 ( 17.205 1.577 2.862) 17.512 6.790 ( -11.020 9.201 -3.473) 14.770 6.790 ( 11.020 9.201 -3.473) 14.770 9.702 ( -9.706 2.657 -10.814) 14.772 9.702 ( 9.706 2.657 -10.814) 14.772 13.469 ( -3.922 3.655 16.945) 17.773 13.469 ( 3.922 3.655 16.945) 17.773 15.328 ( -16.161 -1.212 -6.502) 17.462 15.328 ( 16.161 -1.212 -6.502) 17.462 17.535 ( -4.978 -1.238 8.399) 9.842 17.535 ( 4.978 -1.238 8.399) 9.842 21.801 ( -7.112 -2.276 -6.339) 9.795 21.801 ( 7.112 -2.276 -6.339) 9.795 ======================= Grid point 145 (33/189) ======================= q-point: ( 0.20 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.602 11.602 13.991) 21.563 2.391 ( 19.536 19.536 32.363) 42.552 4.010 ( 17.791 17.791 6.383) 25.958 4.316 ( 21.079 21.079 4.494) 30.146 4.447 ( 14.459 14.459 25.125) 32.395 6.437 ( -29.034 -29.034 -2.164) 41.118 6.675 ( 1.800 1.800 -2.575) 3.620 7.884 ( -5.976 -5.976 -5.000) 9.819 9.149 ( 8.541 8.541 -30.633) 32.928 10.177 ( -0.316 -0.316 -7.112) 7.126 13.453 ( -3.489 -3.489 25.425) 25.899 13.804 ( 1.265 1.265 13.000) 13.122 14.510 ( 4.442 4.442 11.312) 12.939 16.102 ( -7.734 -7.734 1.989) 11.116 17.376 ( 0.848 0.848 -2.924) 3.160 17.910 ( -7.867 -7.867 10.131) 15.047 21.179 ( 6.708 6.708 -11.623) 15.003 22.021 ( -0.480 -0.480 -4.312) 4.366 ======================= Grid point 146 (34/189) ======================= q-point: ( 0.30 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 33.186 -13.701 6.159) 36.428 2.839 ( 22.553 10.920 31.644) 40.364 4.026 ( -7.701 -3.341 17.089) 19.040 4.747 ( 16.791 19.326 2.242) 25.700 5.013 ( 29.923 29.268 7.054) 42.447 5.800 ( -28.995 -34.540 1.199) 45.112 6.704 ( 1.016 1.726 -2.666) 3.334 7.660 ( -14.371 0.158 -4.598) 15.090 9.346 ( 9.923 4.682 -21.074) 23.760 10.130 ( -4.440 2.630 -8.147) 9.644 13.424 ( 0.684 1.186 21.333) 21.377 13.784 ( -2.989 5.374 14.003) 15.294 14.682 ( 11.474 1.429 3.019) 11.950 15.889 ( -12.228 -5.405 -0.235) 13.372 17.401 ( 1.528 0.306 -1.214) 1.975 17.745 ( -7.546 -5.472 8.510) 12.622 21.354 ( 9.425 0.569 -8.387) 12.629 21.979 ( -3.418 -1.612 -4.134) 5.601 ======================= Grid point 147 (35/189) ======================= q-point: ( 0.40 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 35.773 -18.419 -1.324) 40.258 3.322 ( 23.039 0.460 28.442) 36.605 3.806 ( -12.010 -4.543 18.215) 22.286 4.686 ( -26.664 -9.650 7.396) 29.305 5.503 ( 11.512 3.759 -2.456) 12.357 5.555 ( 12.262 8.395 4.534) 15.537 6.750 ( 4.760 3.153 -2.727) 6.327 7.315 ( -17.794 3.844 -3.966) 18.632 9.562 ( 10.657 4.685 -14.725) 18.771 9.992 ( -8.521 4.859 -9.303) 13.519 13.475 ( 3.935 4.485 18.199) 19.153 13.694 ( -5.287 6.999 15.053) 17.422 14.964 ( 14.855 -1.270 -1.604) 14.995 15.605 ( -14.613 -3.992 -2.781) 15.402 17.441 ( 2.345 -0.350 1.834) 2.997 17.604 ( -5.771 -3.227 6.607) 9.347 21.555 ( 9.365 -2.699 -6.445) 11.684 21.881 ( -5.829 -2.970 -4.419) 7.895 ======================= Grid point 148 (36/189) ======================= q-point: (-0.50 0.20 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( -22.136 -6.561 3.753) 23.391 3.354 ( 22.136 -6.561 3.753) 23.391 4.002 ( -32.000 -18.039 22.308) 42.977 4.002 ( 32.000 -18.039 22.308) 42.977 5.683 ( -3.327 9.218 -0.497) 9.813 5.683 ( 3.327 9.218 -0.497) 9.813 6.957 ( -14.882 5.233 -3.135) 16.084 6.957 ( 14.882 5.233 -3.135) 16.084 9.787 ( -10.615 5.416 -11.165) 16.330 9.787 ( 10.615 5.416 -11.165) 16.330 13.577 ( -5.517 6.479 16.272) 18.363 13.577 ( 5.517 6.479 16.272) 18.363 15.286 ( -15.547 -2.856 -3.413) 16.172 15.286 ( 15.547 -2.856 -3.413) 16.172 17.504 ( -3.807 -1.482 4.467) 6.053 17.504 ( 3.807 -1.482 4.467) 6.053 21.737 ( -7.887 -3.623 -5.192) 10.114 21.737 ( 7.887 -3.623 -5.192) 10.114 ======================= Grid point 157 (37/189) ======================= q-point: ( 0.30 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 9.417 9.417 8.417) 15.755 3.119 ( 14.697 14.697 30.582) 36.976 3.909 ( -8.053 -8.053 14.793) 18.669 5.020 ( -35.990 -35.990 6.470) 51.307 5.193 ( 19.891 19.891 -0.873) 28.144 5.577 ( 22.963 22.963 1.954) 32.534 6.732 ( 0.953 0.953 -2.499) 2.839 7.552 ( -9.620 -9.620 -4.386) 14.294 9.489 ( 8.758 8.758 -16.851) 20.913 10.152 ( -0.921 -0.921 -9.147) 9.239 13.482 ( 4.266 4.266 18.708) 19.657 13.861 ( 1.384 1.384 14.015) 14.151 14.759 ( 6.303 6.303 1.170) 8.991 15.726 ( -9.916 -9.916 1.256) 14.080 17.415 ( 0.967 0.967 -3.203) 3.483 17.632 ( -5.052 -5.052 5.918) 9.278 21.406 ( 4.205 4.205 -6.249) 8.627 21.913 ( -4.502 -4.502 -3.646) 7.337 ======================= Grid point 158 (38/189) ======================= q-point: ( 0.40 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 29.221 -14.277 3.188) 32.679 3.419 ( 11.543 5.789 26.393) 29.382 3.658 ( -15.829 -11.465 7.997) 21.118 4.270 ( -31.384 -22.850 22.512) 44.877 5.620 ( 18.517 13.041 -2.783) 22.818 5.930 ( 9.028 16.582 -2.562) 19.054 6.780 ( 5.202 -0.383 -2.320) 5.709 7.292 ( -14.437 -5.541 -3.951) 15.960 9.697 ( 10.686 8.002 -13.485) 18.976 10.082 ( -5.849 3.145 -10.107) 12.094 13.595 ( 6.183 6.696 16.835) 19.144 13.835 ( -3.620 5.873 14.725) 16.261 14.947 ( 11.277 0.066 -0.208) 11.279 15.486 ( -12.674 -7.267 0.461) 14.617 17.441 ( 1.459 0.289 -2.082) 2.559 17.540 ( -3.627 -2.699 3.047) 5.452 21.519 ( 6.283 -0.550 -4.827) 7.942 21.798 ( -6.257 -4.734 -3.560) 8.616 ======================= Grid point 159 (39/189) ======================= q-point: (-0.50 0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -33.889 -22.623 -3.729) 40.916 3.029 ( 33.889 -22.623 -3.729) 40.916 3.784 ( -16.805 -3.172 33.357) 37.486 3.784 ( 16.805 -3.172 33.357) 37.486 5.921 ( -8.907 12.794 -3.676) 16.017 5.921 ( 8.907 12.794 -3.676) 16.017 6.986 ( -13.588 -2.382 -3.055) 14.130 6.986 ( 13.588 -2.382 -3.055) 14.130 9.916 ( -9.627 6.362 -11.366) 16.197 9.916 ( 9.627 6.362 -11.366) 16.197 13.728 ( -6.167 7.503 15.607) 18.382 13.728 ( 6.167 7.503 15.607) 18.382 15.210 ( -13.293 -4.267 -0.388) 13.967 15.210 ( 13.293 -4.267 -0.388) 13.967 17.479 ( -2.293 -0.866 0.292) 2.468 17.479 ( 2.293 -0.866 0.292) 2.468 21.659 ( -6.859 -3.570 -3.958) 8.687 21.659 ( 6.859 -3.570 -3.958) 8.687 ======================= Grid point 169 (40/189) ======================= q-point: ( 0.40 0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.751 5.751 4.884) 9.487 3.156 ( -28.538 -28.538 -4.715) 40.634 3.616 ( 7.220 7.220 31.458) 33.073 3.937 ( -9.670 -9.670 33.681) 36.352 5.930 ( 14.846 14.846 -4.894) 21.558 6.201 ( 7.653 7.653 -6.017) 12.383 6.764 ( 0.627 0.627 -1.723) 1.938 7.112 ( -10.803 -10.803 -3.615) 15.699 9.877 ( 8.527 8.527 -12.282) 17.212 10.105 ( -1.143 -1.143 -10.755) 10.876 13.743 ( 7.060 7.060 15.876) 18.755 13.912 ( 0.926 0.926 14.947) 15.005 14.988 ( 4.165 4.165 0.627) 5.923 15.310 ( -9.169 -9.169 1.543) 13.058 17.451 ( 0.666 0.666 -3.380) 3.508 17.495 ( -1.663 -1.663 -0.206) 2.361 21.534 ( 1.926 1.926 -3.673) 4.573 21.693 ( -5.046 -5.046 -3.064) 7.766 ======================= Grid point 170 (41/189) ======================= q-point: (-0.50 0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -24.355 -18.281 1.089) 30.472 2.567 ( 24.355 -18.281 1.089) 30.472 3.771 ( -7.313 0.522 32.316) 33.137 3.771 ( 7.313 0.522 32.316) 33.137 6.188 ( -8.258 11.703 -6.413) 15.693 6.188 ( 8.258 11.703 -6.413) 15.693 6.880 ( -9.985 -6.763 -2.513) 12.319 6.880 ( 9.985 -6.763 -2.513) 12.319 10.031 ( -5.765 4.201 -11.400) 13.448 10.031 ( 5.765 4.201 -11.400) 13.448 13.870 ( -4.557 5.484 15.327) 16.904 13.870 ( 4.557 5.484 15.327) 16.904 15.122 ( -8.241 -3.662 1.272) 9.107 15.122 ( 8.241 -3.662 1.272) 9.107 17.468 ( -0.972 -0.246 -2.507) 2.700 17.468 ( 0.972 -0.246 -2.507) 2.700 21.597 ( -3.968 -2.188 -3.090) 5.485 21.597 ( 3.968 -2.188 -3.090) 5.485 ======================= Grid point 186 (42/189) ======================= q-point: (-0.50 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.000 0.000 3.545) 3.545 2.361 ( 0.000 0.000 3.545) 3.545 3.779 ( 0.000 0.000 31.732) 31.732 3.779 ( 0.000 0.000 31.732) 31.732 6.339 ( 0.000 0.000 -8.514) 8.514 6.339 ( 0.000 0.000 -8.514) 8.514 6.780 ( 0.000 0.000 -1.194) 1.194 6.780 ( 0.000 0.000 -1.194) 1.194 10.077 ( 0.000 0.000 -11.394) 11.394 10.077 ( 0.000 0.000 -11.394) 11.394 13.932 ( 0.000 0.000 15.341) 15.341 13.932 ( 0.000 0.000 15.341) 15.341 15.079 ( 0.000 0.000 1.661) 1.661 15.079 ( 0.000 0.000 1.661) 1.661 17.466 ( 0.000 0.000 -3.438) 3.438 17.466 ( 0.000 0.000 -3.438) 3.438 21.573 ( 0.000 0.000 -2.787) 2.787 21.573 ( 0.000 0.000 -2.787) 2.787 ======================= Grid point 242 (43/189) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.000 -0.000 33.403) 33.403 1.345 ( 0.000 0.000 33.403) 33.403 2.932 ( 0.000 0.000 73.031) 73.031 3.570 ( -0.000 -0.000 24.594) 24.594 5.220 ( 0.000 0.000 41.179) 41.179 6.506 ( 0.000 0.000 -3.063) 3.063 6.506 ( -0.000 0.000 -3.063) 3.063 7.931 ( -0.000 0.000 -10.876) 10.876 7.931 ( 0.000 0.000 -10.876) 10.876 10.057 ( 0.000 0.000 -8.988) 8.988 14.071 ( 0.000 0.000 20.985) 20.985 14.071 ( 0.000 0.000 20.985) 20.985 16.521 ( 0.000 0.000 5.312) 5.312 17.268 ( 0.000 0.000 -4.604) 4.604 17.268 ( 0.000 0.000 -4.604) 4.604 18.336 ( 0.000 0.000 3.388) 3.388 19.427 ( -0.000 0.000 -1.691) 1.691 21.858 ( 0.000 0.000 -6.186) 6.186 ======================= Grid point 243 (44/189) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 17.477 0.000 27.458) 32.548 1.655 ( 26.583 0.000 24.535) 36.175 3.174 ( 21.498 0.000 67.469) 70.811 3.702 ( 12.160 0.000 22.253) 25.359 5.178 ( -4.060 0.000 40.245) 40.449 6.510 ( 0.263 0.000 -2.803) 2.815 6.889 ( 25.763 0.000 -17.095) 30.919 7.826 ( -9.786 0.000 -9.432) 13.591 7.960 ( 5.045 0.000 -15.306) 16.116 10.043 ( -1.504 0.000 -9.536) 9.654 14.058 ( -1.242 0.000 21.238) 21.274 14.099 ( 2.406 0.000 20.640) 20.780 16.165 ( -64.610 0.000 23.633) 68.797 16.394 ( -10.963 0.000 0.728) 10.987 17.336 ( 5.416 0.000 -0.519) 5.440 18.555 ( -0.318 0.000 13.635) 13.639 19.946 ( 36.976 0.000 -24.970) 44.618 21.860 ( 0.140 0.000 -6.414) 6.416 ======================= Grid point 244 (45/189) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 27.813 0.000 18.211) 33.245 2.332 ( 35.824 0.000 12.545) 37.957 3.741 ( 30.483 0.000 53.609) 61.669 4.050 ( 20.316 0.000 19.122) 27.900 5.051 ( -8.040 0.000 37.503) 38.355 6.507 ( -0.905 0.000 -2.192) 2.371 7.156 ( -2.023 0.000 -14.775) 14.913 7.540 ( -16.895 0.000 -5.626) 17.807 8.263 ( 22.349 0.000 -28.714) 36.386 9.983 ( -4.472 0.000 -10.702) 11.599 14.020 ( -2.381 0.000 21.896) 22.025 14.141 ( 0.163 0.000 23.116) 23.117 15.117 ( -32.890 0.000 25.421) 41.569 16.110 ( -15.257 0.000 -6.139) 16.446 17.458 ( 5.761 0.000 5.278) 7.813 18.409 ( -10.581 0.000 17.818) 20.723 20.625 ( 26.885 0.000 -25.181) 36.836 21.859 ( -0.348 0.000 -7.090) 7.099 ======================= Grid point 245 (46/189) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 30.466 0.000 14.497) 33.739 3.088 ( 34.897 0.000 5.413) 35.315 4.346 ( 23.931 0.000 20.486) 31.502 4.549 ( 28.127 0.000 33.430) 43.689 4.846 ( -11.205 0.000 32.597) 34.469 6.452 ( -5.079 0.000 -0.876) 5.154 6.955 ( -13.974 0.000 -10.935) 17.744 7.146 ( -19.942 0.000 -0.759) 19.957 8.733 ( 20.587 0.000 -27.777) 34.574 9.851 ( -8.049 0.000 -11.929) 14.390 13.961 ( -3.110 0.000 22.735) 22.947 14.048 ( -8.096 0.000 30.916) 31.959 14.792 ( -0.933 0.000 5.551) 5.629 15.779 ( -15.995 0.000 -10.853) 19.329 17.570 ( 5.055 0.000 9.516) 10.775 18.173 ( -11.137 0.000 17.411) 20.669 21.095 ( 18.587 0.000 -19.154) 26.690 21.838 ( -1.869 0.000 -8.196) 8.407 ======================= Grid point 246 (47/189) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 27.078 0.000 16.183) 31.545 3.702 ( 19.730 0.000 6.530) 20.783 4.626 ( -6.952 0.000 21.753) 22.837 4.686 ( 8.069 0.000 2.811) 8.544 5.186 ( 30.735 0.000 33.395) 45.386 6.249 ( -15.638 0.000 5.717) 16.650 6.671 ( -10.830 0.000 -8.540) 13.792 6.762 ( -14.762 0.000 0.418) 14.768 9.110 ( 15.677 0.000 -21.370) 26.504 9.652 ( -10.783 0.000 -13.480) 17.263 13.897 ( -2.721 0.000 23.713) 23.869 13.903 ( -4.567 0.000 28.664) 29.025 14.910 ( 9.776 0.000 -4.820) 10.900 15.452 ( -15.024 0.000 -12.285) 19.407 17.676 ( 5.192 0.000 12.435) 13.475 17.960 ( -9.014 0.000 16.143) 18.489 21.421 ( 12.848 0.000 -14.750) 19.561 21.773 ( -4.531 0.000 -9.739) 10.741 ======================= Grid point 247 (48/189) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( -15.108 0.000 17.573) 23.175 3.731 ( 15.108 0.000 17.573) 23.175 4.671 ( -7.355 0.000 3.593) 8.186 4.671 ( 7.355 0.000 3.593) 8.186 5.793 ( -26.508 0.000 19.966) 33.186 5.793 ( 26.508 0.000 19.966) 33.186 6.577 ( -2.469 0.000 -4.590) 5.212 6.577 ( 2.469 0.000 -4.590) 5.212 9.405 ( -12.778 0.000 -16.329) 20.735 9.405 ( 12.778 0.000 -16.329) 20.735 13.861 ( -0.293 0.000 25.408) 25.410 13.861 ( 0.293 0.000 25.408) 25.410 15.155 ( -13.139 0.000 -10.155) 16.606 15.155 ( 13.139 0.000 -10.155) 16.606 17.797 ( -6.628 0.000 14.524) 15.965 17.797 ( 6.628 0.000 14.524) 15.965 21.641 ( -8.235 0.000 -11.817) 14.404 21.641 ( 8.235 0.000 -11.817) 14.404 ======================= Grid point 254 (49/189) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 445 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 6.458 6.458 28.706) 30.124 2.016 ( 24.134 24.134 20.893) 40.018 3.413 ( 21.031 21.031 60.204) 67.150 3.827 ( 11.581 11.581 19.840) 25.727 5.143 ( -3.467 -3.467 39.510) 39.813 6.539 ( 1.398 1.398 -3.595) 4.102 6.998 ( 4.195 4.195 -15.579) 16.671 7.895 ( -1.934 -1.934 -10.327) 10.683 7.914 ( 7.142 7.142 -21.437) 23.698 10.035 ( -0.985 -0.985 -10.135) 10.230 14.073 ( -0.427 -0.427 20.953) 20.961 14.094 ( 1.036 1.036 21.308) 21.358 15.575 ( -36.504 -36.504 22.398) 56.274 16.486 ( -5.790 -5.790 10.393) 13.232 17.274 ( 0.302 0.302 -4.849) 4.867 18.518 ( -5.152 -5.152 16.567) 18.098 20.228 ( 21.928 21.928 -26.294) 40.658 21.873 ( 0.954 0.954 -6.878) 7.009 ======================= Grid point 255 (50/189) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 24.761 -9.026 19.778) 32.951 2.589 ( 29.680 17.894 19.278) 39.658 3.955 ( 28.146 18.251 44.480) 55.711 4.160 ( 19.475 10.165 16.464) 27.453 5.032 ( -6.772 -1.752 36.180) 36.850 6.543 ( -1.584 2.761 -3.091) 4.437 6.892 ( -12.447 -19.313 -6.949) 24.004 7.712 ( -11.985 8.630 -9.614) 17.623 8.304 ( 22.886 5.283 -30.136) 38.208 9.989 ( -3.721 0.331 -11.403) 12.000 14.025 ( -3.459 -0.429 22.987) 23.250 14.130 ( 0.504 -0.334 23.164) 23.172 14.939 ( -20.463 -12.625 18.549) 30.368 16.213 ( -16.920 5.387 1.765) 17.844 17.368 ( 6.392 -6.442 0.208) 9.077 18.343 ( -10.480 -6.063 17.487) 21.269 20.697 ( 21.158 6.675 -22.229) 31.406 21.884 ( -0.228 1.744 -7.455) 7.660 ======================= Grid point 256 (51/189) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 31.881 -14.808 10.703) 36.745 3.220 ( 29.456 10.406 18.533) 36.324 4.465 ( 17.640 8.749 21.456) 29.122 4.579 ( 13.600 2.859 23.260) 27.095 4.936 ( 4.971 9.034 27.715) 29.571 6.385 ( -15.575 -12.340 2.754) 20.061 6.658 ( -5.965 -9.421 -4.396) 11.986 7.406 ( -16.800 11.549 -7.197) 21.620 8.759 ( 19.716 2.835 -27.293) 33.789 9.871 ( -7.536 1.716 -12.682) 14.852 13.939 ( -4.207 -1.848 25.748) 26.155 14.076 ( -4.896 2.790 26.477) 27.070 14.764 ( 1.884 -2.112 3.657) 4.624 15.845 ( -17.595 4.882 -6.012) 19.224 17.499 ( 5.886 -6.074 5.839) 10.278 18.115 ( -10.764 -5.370 16.338) 20.289 21.095 ( 16.863 0.535 -17.131) 24.044 21.857 ( -2.468 1.251 -8.121) 8.580 ======================= Grid point 257 (52/189) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 30.494 -13.105 8.651) 34.300 3.744 ( 16.206 3.803 15.797) 22.948 4.486 ( -5.379 -10.004 26.450) 28.785 4.753 ( 3.115 5.446 2.720) 6.838 5.339 ( 23.013 10.891 21.231) 33.151 6.023 ( -15.702 -17.182 12.472) 26.407 6.602 ( 0.083 2.102 -4.783) 5.225 7.032 ( -18.054 12.918 -5.026) 22.761 9.127 ( 15.640 1.864 -21.298) 26.490 9.677 ( -10.790 2.371 -14.155) 17.956 13.878 ( -1.160 0.253 25.884) 25.911 13.971 ( -4.630 4.474 25.243) 26.051 14.912 ( 10.571 0.125 -4.403) 11.452 15.489 ( -16.166 3.045 -9.392) 18.942 17.618 ( 5.655 -5.147 9.683) 12.338 17.908 ( -8.837 -4.802 14.556) 17.693 21.405 ( 12.684 -1.290 -13.479) 18.553 21.776 ( -5.339 0.008 -9.257) 10.687 ======================= Grid point 258 (53/189) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -19.995 -6.450 12.971) 24.691 3.671 ( 19.995 -6.450 12.971) 24.691 4.615 ( -13.326 -4.522 10.500) 17.558 4.615 ( 13.326 -4.522 10.500) 17.558 5.735 ( -14.415 -3.046 16.926) 22.440 5.735 ( 14.415 -3.046 16.926) 22.440 6.708 ( -11.049 9.650 -4.207) 15.261 6.708 ( 11.049 9.650 -4.207) 15.261 9.426 ( -13.079 2.145 -16.738) 21.350 9.426 ( 13.079 2.145 -16.738) 21.350 13.894 ( -2.496 3.057 25.017) 25.327 13.894 ( 2.496 3.057 25.017) 25.327 15.172 ( -13.967 1.450 -8.601) 16.467 15.172 ( 13.967 1.450 -8.601) 16.467 17.745 ( -6.746 -4.700 12.413) 14.889 17.745 ( 6.746 -4.700 12.413) 14.889 21.629 ( -8.790 -1.111 -10.988) 14.115 21.629 ( 8.790 -1.111 -10.988) 14.115 ======================= Grid point 266 (54/189) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 8.061 8.061 20.704) 23.635 3.012 ( 21.953 21.953 25.934) 40.453 4.373 ( 17.183 17.183 32.996) 40.978 4.453 ( 17.135 17.135 9.740) 26.117 4.998 ( 0.406 0.406 27.905) 27.911 6.427 ( -22.989 -22.989 3.525) 32.702 6.606 ( 1.609 1.609 -4.396) 4.950 7.744 ( -5.499 -5.499 -9.091) 11.964 8.528 ( 15.100 15.100 -30.176) 36.968 9.980 ( -1.561 -1.561 -12.903) 13.091 13.971 ( -3.868 -3.868 26.337) 26.900 14.153 ( 1.742 1.742 22.118) 22.255 14.731 ( -5.578 -5.578 8.880) 11.878 16.189 ( -8.607 -8.607 7.282) 14.183 17.294 ( 0.645 0.645 -5.377) 5.453 18.173 ( -9.580 -9.580 15.954) 20.930 20.888 ( 11.038 11.038 -17.172) 23.207 21.904 ( -0.282 -0.282 -7.564) 7.574 ======================= Grid point 267 (55/189) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 24.557 -9.466 13.497) 29.577 3.483 ( 22.113 14.187 29.132) 39.230 4.476 ( -7.463 -6.598 28.150) 29.861 4.805 ( 13.972 16.255 4.008) 21.806 5.182 ( 15.763 11.448 8.926) 21.429 5.962 ( -18.570 -20.744 19.043) 33.732 6.633 ( 1.010 1.795 -4.439) 4.894 7.533 ( -13.575 0.282 -8.142) 15.832 8.869 ( 16.449 7.877 -25.819) 31.611 9.908 ( -5.591 1.304 -14.341) 15.447 13.907 ( -1.616 -0.634 26.195) 26.252 14.157 ( -1.867 4.431 23.260) 23.752 14.730 ( 5.199 -0.548 1.162) 5.355 15.905 ( -16.623 -0.743 2.288) 16.796 17.369 ( 5.290 -4.932 -2.017) 7.509 17.966 ( -9.770 -8.326 13.408) 18.562 21.136 ( 12.154 3.545 -13.339) 18.390 21.864 ( -3.494 -0.942 -7.501) 8.328 ======================= Grid point 268 (56/189) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 804 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 31.506 -17.783 5.717) 36.627 3.824 ( 1.413 1.329 18.964) 19.063 4.268 ( -2.061 -9.404 26.105) 27.824 4.872 ( -9.819 4.039 10.617) 15.015 5.496 ( 13.653 1.125 4.609) 14.454 5.781 ( 0.197 0.081 21.099) 21.100 6.680 ( 4.795 3.620 -4.144) 7.299 7.210 ( -16.567 3.589 -6.477) 18.147 9.201 ( 15.151 5.481 -21.051) 26.509 9.744 ( -9.946 3.675 -15.683) 18.931 13.914 ( 2.160 3.211 24.930) 25.229 14.085 ( -4.505 6.232 23.800) 25.012 14.916 ( 11.777 0.324 -3.075) 12.176 15.544 ( -17.164 1.254 -2.949) 17.461 17.488 ( 5.942 -6.339 2.899) 9.160 17.775 ( -8.269 -7.317 10.370) 15.148 21.383 ( 11.143 -0.511 -10.778) 15.511 21.759 ( -6.472 -1.807 -7.940) 10.401 ======================= Grid point 269 (57/189) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( -29.177 -16.715 3.829) 33.843 3.428 ( 29.177 -16.715 3.829) 33.843 4.537 ( -18.509 -1.866 27.899) 33.533 4.537 ( 18.509 -1.866 27.899) 33.533 5.734 ( -7.378 3.162 8.597) 11.762 5.734 ( 7.378 3.162 8.597) 11.762 6.878 ( -13.845 5.201 -4.518) 15.465 6.878 ( 13.845 5.201 -4.518) 15.465 9.499 ( -13.162 4.843 -17.653) 22.546 9.499 ( 13.162 4.843 -17.653) 22.546 13.987 ( -4.464 5.698 24.182) 25.242 13.987 ( 4.464 5.698 24.182) 25.242 15.202 ( -15.213 1.006 -4.674) 15.947 15.202 ( 15.213 1.006 -4.674) 15.947 17.620 ( -6.708 -6.728 6.955) 11.775 17.620 ( 6.708 -6.728 6.955) 11.775 21.596 ( -9.069 -1.980 -9.035) 12.954 21.596 ( 9.069 -1.980 -9.035) 12.954 ======================= Grid point 278 (58/189) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 445 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 6.908 6.908 14.015) 17.084 3.779 ( 11.950 11.950 30.352) 34.740 4.240 ( -14.445 -14.445 17.962) 27.202 5.179 ( 16.687 16.687 -0.270) 23.600 5.185 ( -11.014 -11.014 11.439) 19.325 5.786 ( 5.649 5.649 22.805) 24.164 6.666 ( 1.273 1.273 -4.198) 4.568 7.432 ( -9.160 -9.160 -7.729) 15.085 9.084 ( 12.213 12.213 -23.208) 28.929 9.904 ( -2.051 -2.051 -15.936) 16.197 13.926 ( 2.569 2.569 24.944) 25.207 14.232 ( 1.912 1.912 23.161) 23.318 14.765 ( 4.514 4.514 -0.994) 6.460 15.785 ( -10.292 -10.292 5.225) 15.464 17.326 ( 0.817 0.817 -5.860) 5.972 17.786 ( -8.491 -8.491 9.366) 15.229 21.241 ( 6.294 6.294 -10.220) 13.553 21.811 ( -4.085 -4.085 -6.744) 8.881 ======================= Grid point 279 (59/189) ======================= q-point: ( 0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 22.500 -11.052 8.465) 26.458 3.624 ( -25.711 -20.350 1.558) 32.827 4.229 ( 13.247 5.600 39.463) 42.002 4.858 ( -15.670 -4.767 34.341) 38.047 5.562 ( 16.968 8.439 -1.980) 19.053 5.926 ( 3.192 8.937 5.182) 10.813 6.719 ( 5.151 0.122 -3.741) 6.367 7.186 ( -13.443 -5.312 -6.607) 15.892 9.357 ( 13.272 9.071 -20.459) 26.019 9.811 ( -6.934 2.202 -17.180) 18.657 14.009 ( 5.073 5.752 24.054) 25.247 14.218 ( -3.041 5.963 23.456) 24.392 14.930 ( 10.924 1.300 -1.610) 11.118 15.513 ( -14.731 -4.529 2.589) 15.628 17.383 ( 4.120 -3.242 -3.712) 6.424 17.620 ( -7.163 -7.102 4.907) 11.217 21.390 ( 7.598 1.208 -8.188) 11.235 21.699 ( -6.408 -3.810 -6.513) 9.900 ======================= Grid point 280 (60/189) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( -29.690 -20.880 1.876) 36.345 3.016 ( 29.690 -20.880 1.876) 36.345 4.538 ( -15.122 1.377 40.920) 43.647 4.538 ( 15.122 1.377 40.920) 43.647 5.853 ( -9.730 7.569 -1.468) 12.415 5.853 ( 9.730 7.569 -1.468) 12.415 6.907 ( -12.184 -2.179 -4.738) 13.253 6.907 ( 12.184 -2.179 -4.738) 13.253 9.618 ( -11.206 6.040 -18.488) 22.447 9.618 ( 11.206 6.040 -18.488) 22.447 14.124 ( -5.457 7.108 23.634) 25.276 14.124 ( 5.457 7.108 23.634) 25.276 15.201 ( -14.424 -1.267 -0.337) 14.484 15.201 ( 14.424 -1.267 -0.337) 14.484 17.486 ( -5.652 -5.528 0.433) 7.918 17.486 ( 5.652 -5.528 0.433) 7.918 21.551 ( -7.583 -2.181 -6.994) 10.544 21.551 ( 7.583 -2.181 -6.994) 10.544 ======================= Grid point 290 (61/189) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 4.238 4.238 9.164) 10.950 3.114 ( -25.715 -25.715 0.098) 36.367 4.393 ( 8.730 8.730 44.793) 46.463 4.729 ( -6.946 -6.946 45.823) 46.864 5.798 ( 12.324 12.324 -8.324) 19.314 6.070 ( 3.294 3.294 -5.558) 7.252 6.717 ( 1.154 1.154 -2.963) 3.383 7.018 ( -9.820 -9.820 -5.715) 15.018 9.558 ( 9.467 9.467 -19.677) 23.800 9.818 ( -1.846 -1.846 -18.237) 18.423 14.143 ( 6.602 6.602 23.727) 25.498 14.302 ( 1.298 1.298 24.113) 24.183 14.993 ( 5.334 5.334 -0.275) 7.548 15.362 ( -9.280 -9.280 4.007) 13.722 17.357 ( 0.593 0.593 -6.149) 6.206 17.489 ( -5.338 -5.338 -0.425) 7.561 21.434 ( 2.973 2.973 -6.424) 7.677 21.608 ( -4.709 -4.709 -5.646) 8.731 ======================= Grid point 291 (62/189) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -19.103 -14.543 5.145) 24.554 2.627 ( 19.103 -14.543 5.145) 24.554 4.572 ( -8.080 1.439 47.126) 47.835 4.572 ( 8.080 1.439 47.126) 47.835 6.021 ( -7.654 7.532 -9.825) 14.555 6.021 ( 7.654 7.532 -9.825) 14.555 6.817 ( -8.237 -5.316 -3.753) 10.497 6.817 ( 8.237 -5.316 -3.753) 10.497 9.730 ( -6.473 4.084 -18.973) 20.459 9.730 ( 6.473 4.084 -18.973) 20.459 14.265 ( -4.439 5.692 23.956) 25.020 14.265 ( 4.439 5.692 23.956) 25.020 15.155 ( -9.584 -2.583 2.179) 10.163 15.155 ( 9.584 -2.583 2.179) 10.163 17.399 ( -3.216 -2.755 -4.490) 6.172 17.399 ( 3.216 -2.755 -4.490) 6.172 21.511 ( -4.307 -1.439 -5.594) 7.205 21.511 ( 4.307 -1.439 -5.594) 7.205 ======================= Grid point 307 (63/189) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 0.000 7.240) 7.240 2.466 ( 0.000 0.000 7.240) 7.240 4.588 ( 0.000 0.000 48.949) 48.949 4.588 ( 0.000 0.000 48.949) 48.949 6.114 ( 0.000 0.000 -13.955) 13.955 6.114 ( 0.000 0.000 -13.955) 13.955 6.746 ( 0.000 0.000 -2.216) 2.216 6.746 ( 0.000 0.000 -2.216) 2.216 9.774 ( 0.000 0.000 -19.126) 19.126 9.774 ( 0.000 0.000 -19.126) 19.126 14.331 ( 0.000 0.000 24.511) 24.511 14.331 ( 0.000 0.000 24.511) 24.511 15.122 ( 0.000 0.000 2.602) 2.602 15.122 ( 0.000 0.000 2.602) 2.602 17.370 ( 0.000 0.000 -6.239) 6.239 17.370 ( 0.000 0.000 -6.239) 6.239 21.495 ( 0.000 0.000 -5.110) 5.110 21.495 ( 0.000 0.000 -5.110) 5.110 ======================= Grid point 363 (64/189) ======================= q-point: ( 0.00 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 0.000 30.938) 30.938 1.972 ( 0.000 0.000 30.938) 30.938 4.120 ( -0.000 0.000 31.428) 31.428 4.309 ( 0.000 0.000 68.378) 68.378 6.089 ( 0.000 0.000 46.748) 46.748 6.432 ( 0.000 0.000 -4.776) 4.776 6.432 ( 0.000 0.000 -4.776) 4.776 7.693 ( 0.000 0.000 -13.036) 13.036 7.693 ( 0.000 0.000 -13.036) 13.036 9.839 ( 0.000 0.000 -13.396) 13.396 14.532 ( 0.000 -0.000 25.731) 25.731 14.532 ( 0.000 0.000 25.731) 25.731 16.640 ( 0.000 0.000 6.890) 6.890 17.163 ( 0.000 -0.000 -6.051) 6.051 17.163 ( -0.000 0.000 -6.051) 6.051 18.401 ( -0.000 0.000 2.889) 2.889 19.399 ( 0.000 0.000 -0.778) 0.778 21.711 ( 0.000 0.000 -8.901) 8.901 ======================= Grid point 364 (65/189) ======================= q-point: ( 0.10 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 9.921 0.000 27.319) 29.064 2.155 ( 16.717 0.000 26.239) 31.111 4.199 ( 7.100 0.000 29.438) 30.282 4.482 ( 15.886 0.000 65.247) 67.153 5.972 ( -10.006 0.000 35.586) 36.966 6.484 ( 3.613 0.000 3.994) 5.386 6.623 ( 14.866 0.000 -11.787) 18.972 7.628 ( -6.021 0.000 -10.024) 11.693 7.688 ( 0.814 0.000 -13.095) 13.120 9.815 ( -2.419 0.000 -13.915) 14.124 14.523 ( -0.909 0.000 25.842) 25.858 14.550 ( 1.672 0.000 25.096) 25.152 16.399 ( -18.272 0.000 -0.357) 18.276 16.418 ( -49.415 0.000 5.805) 49.755 17.335 ( 11.753 0.000 0.579) 11.767 18.802 ( 12.526 0.000 11.311) 16.877 19.555 ( 20.660 0.000 -15.946) 26.098 21.708 ( -0.285 0.000 -9.116) 9.120 ======================= Grid point 365 (66/189) ======================= q-point: ( 0.20 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 19.931 0.000 18.876) 27.451 2.627 ( 27.070 0.000 17.121) 32.030 4.399 ( 11.401 0.000 23.730) 26.326 4.919 ( 24.197 0.000 58.371) 63.188 5.702 ( -15.521 0.000 23.288) 27.987 6.543 ( 1.520 0.000 9.467) 9.588 6.839 ( 1.688 0.000 -17.141) 17.224 7.451 ( -10.554 0.000 -1.965) 10.735 7.833 ( 14.968 0.000 -16.863) 22.548 9.732 ( -5.543 0.000 -14.949) 15.943 14.493 ( -2.003 0.000 25.941) 26.018 14.599 ( 2.738 0.000 23.987) 24.143 15.469 ( -38.439 0.000 11.897) 40.238 15.980 ( -20.568 0.000 -6.939) 21.707 17.569 ( 10.126 0.000 5.979) 11.760 18.764 ( -9.785 0.000 17.929) 20.425 20.155 ( 29.909 0.000 -22.751) 37.579 21.694 ( -1.179 0.000 -9.744) 9.815 ======================= Grid point 366 (67/189) ======================= q-point: ( 0.30 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 27.402 0.000 10.945) 29.507 3.243 ( 30.637 0.000 9.886) 32.192 4.642 ( 10.507 0.000 15.604) 18.812 5.326 ( -20.179 0.000 13.044) 24.028 5.441 ( 24.588 0.000 49.578) 55.340 6.532 ( -2.806 0.000 9.430) 9.839 6.718 ( -10.162 0.000 -12.265) 15.928 7.200 ( -13.147 0.000 9.055) 15.963 8.252 ( 22.157 0.000 -21.516) 30.885 9.580 ( -9.049 0.000 -15.832) 18.236 14.438 ( -3.189 0.000 25.162) 25.363 14.626 ( -3.743 0.000 28.324) 28.570 14.878 ( -14.574 0.000 3.160) 14.912 15.569 ( -18.138 0.000 -10.005) 20.715 17.757 ( 8.036 0.000 9.368) 12.342 18.521 ( -12.176 0.000 17.391) 21.229 20.709 ( 22.705 0.000 -19.705) 30.063 21.652 ( -3.090 0.000 -10.762) 11.197 ======================= Grid point 367 (68/189) ======================= q-point: ( 0.40 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 29.137 0.000 7.936) 30.198 3.852 ( 25.234 0.000 8.315) 26.569 4.770 ( 0.002 0.000 6.011) 6.011 4.875 ( -21.498 0.000 2.879) 21.690 5.910 ( 19.270 0.000 34.747) 39.733 6.422 ( -7.624 0.000 7.446) 10.657 6.542 ( -3.667 0.000 0.193) 3.673 6.912 ( -14.113 0.000 19.817) 24.329 8.694 ( 19.502 0.000 -20.896) 28.582 9.355 ( -12.346 0.000 -16.795) 20.845 14.367 ( -3.157 0.000 22.524) 22.745 14.425 ( -8.639 0.000 21.272) 22.960 14.857 ( 5.269 0.000 2.560) 5.858 15.237 ( -13.349 0.000 -8.082) 15.605 17.916 ( 7.423 0.000 11.825) 13.962 18.280 ( -10.596 0.000 15.860) 19.074 21.111 ( 15.901 0.000 -16.499) 22.914 21.557 ( -6.170 0.000 -12.168) 13.644 ======================= Grid point 368 (69/189) ======================= q-point: (-0.50 0.00 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( -15.708 0.000 12.260) 19.926 4.027 ( 15.708 0.000 12.260) 19.926 4.651 ( -5.842 0.000 -4.688) 7.490 4.651 ( 5.842 0.000 -4.688) 7.490 6.224 ( -11.315 0.000 12.432) 16.810 6.224 ( 11.315 0.000 12.432) 16.810 6.632 ( -11.133 0.000 20.510) 23.337 6.632 ( 11.133 0.000 20.510) 23.337 9.062 ( -15.672 0.000 -18.549) 24.283 9.062 ( 15.672 0.000 -18.549) 24.283 14.333 ( -0.629 0.000 19.742) 19.752 14.333 ( 0.629 0.000 19.742) 19.752 15.006 ( -8.877 0.000 -2.291) 9.168 15.006 ( 8.877 0.000 -2.291) 9.168 18.080 ( -8.491 0.000 13.933) 16.316 18.080 ( 8.491 0.000 13.933) 16.316 21.385 ( -10.430 0.000 -14.028) 17.481 21.385 ( 10.430 0.000 -14.028) 17.481 ======================= Grid point 375 (70/189) ======================= q-point: ( 0.10 0.10 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 3.481 3.481 27.936) 28.366 2.416 ( 18.868 18.868 20.735) 33.793 4.285 ( 7.493 7.493 26.811) 28.829 4.630 ( 13.682 13.682 62.911) 65.820 5.895 ( -8.396 -8.396 32.272) 34.387 6.454 ( 0.995 0.995 -5.202) 5.389 6.773 ( 8.356 8.356 -3.784) 12.408 7.621 ( 0.591 0.591 -10.190) 10.225 7.667 ( -1.469 -1.469 -12.596) 12.766 9.795 ( -2.005 -2.005 -14.504) 14.778 14.523 ( -0.487 -0.487 24.762) 24.771 14.559 ( 1.239 1.239 25.853) 25.912 15.778 ( -31.967 -31.967 2.666) 45.286 16.718 ( -6.983 -6.983 12.119) 15.633 17.164 ( 0.067 0.067 -6.350) 6.351 18.843 ( -1.747 -1.747 16.514) 16.698 19.773 ( 20.315 20.315 -20.916) 35.536 21.715 ( 0.424 0.424 -9.393) 9.412 ======================= Grid point 376 (71/189) ======================= q-point: ( 0.20 0.10 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 15.635 -5.992 21.827) 27.510 2.899 ( 26.516 19.349 14.314) 35.810 4.487 ( 11.272 7.892 21.255) 25.320 5.011 ( 21.214 8.519 56.437) 60.891 5.624 ( -16.667 -8.396 18.821) 26.505 6.504 ( 2.298 -1.723 -1.812) 3.396 6.821 ( -4.554 -3.034 4.455) 7.056 7.521 ( -8.792 5.276 -8.425) 13.271 7.849 ( 17.386 2.539 -17.631) 24.891 9.724 ( -4.906 -0.918 -15.692) 16.466 14.495 ( -2.163 -0.097 25.035) 25.128 14.603 ( 2.566 0.533 25.232) 25.368 15.154 ( -25.627 -19.736 4.504) 32.658 16.264 ( -26.236 16.004 2.934) 30.872 17.382 ( 12.657 -14.862 1.335) 19.567 18.693 ( -10.898 -6.831 17.561) 21.767 20.275 ( 24.629 10.583 -20.526) 33.762 21.714 ( -0.773 1.457 -9.916) 10.052 ======================= Grid point 377 (72/189) ======================= q-point: ( 0.30 0.10 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 25.054 -12.990 12.909) 31.034 3.490 ( 28.703 17.241 10.533) 35.101 4.721 ( 9.593 7.205 13.426) 18.005 5.194 ( -19.981 -11.625 13.096) 26.568 5.493 ( 20.071 3.535 41.569) 46.296 6.521 ( -0.781 -0.317 -0.320) 0.902 6.648 ( -10.035 -5.043 14.728) 18.522 7.290 ( -12.836 5.984 -1.997) 14.303 8.279 ( 21.627 2.884 -21.778) 30.828 9.584 ( -8.543 0.320 -16.671) 18.736 14.429 ( -4.133 -1.355 24.151) 24.540 14.609 ( -5.525 -1.124 26.348) 26.945 14.803 ( -4.106 -4.066 1.340) 5.932 15.744 ( -22.623 13.084 -3.880) 26.420 17.618 ( 9.889 -12.218 6.172) 16.887 18.441 ( -12.327 -7.368 16.301) 21.725 20.750 ( 20.293 3.836 -17.655) 27.170 21.673 ( -3.285 1.605 -10.572) 11.186 ======================= Grid point 378 (73/189) ======================= q-point: ( 0.40 0.10 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 29.397 -16.362 6.735) 34.312 4.021 ( 17.374 10.145 12.031) 23.442 4.690 ( -15.126 -9.783 -2.915) 18.248 4.893 ( -3.168 5.108 8.798) 10.655 5.889 ( 16.249 -1.811 31.833) 35.786 6.415 ( -10.204 -1.919 19.634) 22.210 6.543 ( 2.976 2.323 4.067) 5.550 7.003 ( -14.179 6.242 6.744) 16.897 8.710 ( 19.132 1.728 -21.056) 28.502 9.366 ( -12.189 1.096 -17.547) 21.393 14.349 ( -2.277 -0.780 20.014) 20.158 14.457 ( -6.283 2.765 21.267) 22.348 14.870 ( 6.654 1.209 3.799) 7.757 15.332 ( -16.477 8.011 -5.367) 19.091 17.807 ( 8.508 -9.836 9.384) 16.037 18.196 ( -10.845 -7.663 14.318) 19.528 21.121 ( 15.229 1.025 -15.044) 21.431 21.571 ( -6.623 1.015 -11.570) 13.370 ======================= Grid point 379 (74/189) ======================= q-point: (-0.50 0.10 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -25.718 -14.033 6.956) 30.111 3.867 ( 25.718 -14.033 6.956) 30.111 4.723 ( -12.721 6.405 1.413) 14.313 4.723 ( 12.721 6.405 1.413) 14.313 6.179 ( -12.202 -3.304 20.649) 24.211 6.179 ( 12.202 -3.304 20.649) 24.211 6.717 ( -12.325 6.208 11.378) 17.885 6.717 ( 12.325 6.208 11.378) 17.885 9.074 ( -15.643 1.336 -19.016) 24.659 9.074 ( 15.643 1.336 -19.016) 24.659 14.358 ( -2.956 2.476 19.590) 19.966 14.358 ( 2.956 2.476 19.590) 19.966 15.050 ( -10.737 3.867 -1.337) 11.490 15.050 ( 10.737 3.867 -1.337) 11.490 17.988 ( -9.065 -8.391 11.983) 17.210 17.988 ( 9.065 -8.391 11.983) 17.210 21.391 ( -10.625 0.494 -13.036) 16.825 21.391 ( 10.625 0.494 -13.036) 16.825 ======================= Grid point 387 (75/189) ======================= q-point: ( 0.20 0.20 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 4.828 4.828 21.661) 22.712 3.362 ( 24.221 24.221 12.378) 36.421 4.700 ( 11.608 11.608 15.691) 22.709 5.220 ( 3.055 3.055 45.504) 45.709 5.361 ( -8.593 -8.593 11.357) 16.633 6.507 ( 1.457 1.457 -5.708) 6.068 6.704 ( -7.423 -7.423 26.449) 28.456 7.542 ( -4.808 -4.808 -11.397) 13.271 8.027 ( 14.757 14.757 -20.952) 29.572 9.685 ( -3.051 -3.051 -17.267) 17.798 14.464 ( -3.351 -3.351 24.173) 24.633 14.630 ( 2.066 2.066 26.164) 26.327 14.816 ( -10.908 -10.908 0.460) 15.433 16.375 ( -9.659 -9.659 11.194) 17.661 17.173 ( 0.359 0.359 -6.993) 7.011 18.492 ( -11.620 -11.620 15.947) 22.899 20.551 ( 14.786 14.786 -16.706) 26.765 21.732 ( -0.194 -0.194 -9.968) 9.971 ======================= Grid point 388 (76/189) ======================= q-point: ( 0.30 0.20 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 16.939 -7.035 15.909) 24.280 3.878 ( 23.523 19.026 12.745) 32.829 4.814 ( -21.582 -16.258 0.450) 27.024 4.956 ( 7.657 7.151 10.069) 14.531 5.576 ( 13.738 4.322 38.530) 41.134 6.537 ( -6.271 -3.713 26.936) 27.905 6.540 ( -0.227 0.064 4.616) 4.622 7.360 ( -11.495 -0.498 -8.902) 14.547 8.393 ( 18.772 8.485 -22.393) 30.427 9.585 ( -6.707 -0.482 -18.590) 19.769 14.379 ( -3.285 -2.330 19.854) 20.259 14.624 ( -3.474 3.040 19.637) 20.172 14.755 ( 4.444 -1.073 7.849) 9.083 15.978 ( -23.141 6.534 4.946) 24.550 17.328 ( 10.519 -12.671 -1.999) 16.589 18.234 ( -12.514 -11.763 13.378) 21.770 20.865 ( 14.719 6.946 -13.888) 21.396 21.694 ( -3.571 -0.123 -9.861) 10.488 ======================= Grid point 389 (77/189) ======================= q-point: ( 0.40 0.20 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 25.543 -15.793 8.329) 31.165 4.058 ( -18.648 -12.171 6.552) 23.212 4.564 ( 11.783 4.732 3.356) 13.134 5.068 ( -0.613 10.841 7.765) 13.349 5.845 ( 12.309 -2.353 31.543) 33.941 6.353 ( -10.010 -3.350 32.613) 34.279 6.616 ( 6.754 3.127 0.163) 7.444 7.093 ( -13.372 1.362 -3.693) 13.939 8.781 ( 17.784 5.339 -21.542) 28.440 9.399 ( -11.033 1.912 -19.414) 22.412 14.364 ( 1.836 2.481 18.172) 18.432 14.540 ( -4.502 5.185 19.825) 20.981 14.902 ( 9.204 1.639 5.931) 11.071 15.512 ( -20.337 7.612 0.292) 21.717 17.547 ( 10.136 -13.574 2.996) 17.204 17.982 ( -11.365 -12.062 10.275) 19.500 21.156 ( 12.893 2.285 -12.045) 17.791 21.582 ( -7.089 -0.285 -10.072) 12.320 ======================= Grid point 390 (78/189) ======================= q-point: (-0.50 0.20 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -28.996 -19.883 3.167) 35.300 3.498 ( 28.996 -19.883 3.167) 35.300 4.902 ( -14.250 10.424 8.724) 19.694 4.902 ( 14.250 10.424 8.724) 19.694 6.110 ( -12.762 -3.148 27.488) 30.469 6.110 ( 12.762 -3.148 27.488) 30.469 6.821 ( -12.038 2.736 1.290) 12.412 6.821 ( 12.038 2.736 1.290) 12.412 9.126 ( -14.942 3.661 -20.285) 25.459 9.126 ( 14.942 3.661 -20.285) 25.459 14.439 ( -4.759 5.295 19.625) 20.877 14.439 ( 4.759 5.295 19.625) 20.877 15.147 ( -14.388 4.712 1.054) 15.177 15.147 ( 14.388 4.712 1.054) 15.177 17.758 ( -10.164 -12.735 6.860) 17.679 17.758 ( 10.164 -12.735 6.860) 17.679 21.400 ( -10.247 0.186 -10.804) 14.892 21.400 ( 10.247 0.186 -10.804) 14.892 ======================= Grid point 399 (79/189) ======================= q-point: ( 0.30 0.30 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.335 4.335 15.806) 16.953 4.126 ( -9.564 -9.564 7.485) 15.459 4.486 ( 2.916 2.916 3.750) 5.575 5.199 ( 11.623 11.623 2.832) 16.679 5.661 ( 3.615 3.615 39.419) 39.750 6.425 ( -5.545 -5.545 39.631) 40.399 6.574 ( 1.757 1.757 -5.104) 5.677 7.262 ( -8.258 -8.258 -9.514) 15.064 8.631 ( 13.679 13.679 -22.555) 29.714 9.548 ( -3.386 -3.386 -20.382) 20.937 14.372 ( 1.989 1.989 17.715) 17.937 14.724 ( 2.280 2.280 26.604) 26.799 14.739 ( 3.254 3.254 0.872) 4.683 15.931 ( -11.144 -11.144 9.490) 18.397 17.194 ( 0.617 0.617 -7.565) 7.615 17.973 ( -12.625 -12.625 9.370) 20.164 21.030 ( 8.568 8.568 -11.035) 16.389 21.657 ( -3.469 -3.469 -8.966) 10.220 ======================= Grid point 400 (80/189) ======================= q-point: ( 0.40 0.30 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 16.261 -8.824 11.151) 21.602 3.637 ( -27.363 -23.718 0.160) 36.212 4.806 ( 18.117 14.781 14.917) 27.735 5.330 ( -1.749 13.848 5.998) 15.192 5.780 ( 9.775 -4.272 34.143) 35.771 6.279 ( -9.124 -3.992 31.297) 32.844 6.646 ( 5.824 -0.063 -3.098) 6.597 7.048 ( -11.286 -5.269 -7.025) 14.300 8.936 ( 14.653 9.121 -22.238) 28.150 9.432 ( -7.830 0.788 -21.421) 22.820 14.455 ( 5.457 6.065 19.185) 20.847 14.676 ( -3.670 7.680 19.650) 21.414 14.927 ( 11.558 0.675 5.954) 13.019 15.595 ( -18.510 -0.649 6.106) 19.502 17.302 ( 8.021 -8.532 -4.550) 12.563 17.718 ( -11.506 -12.495 4.869) 17.670 21.215 ( 8.930 3.312 -9.394) 13.378 21.552 ( -6.396 -2.569 -8.466) 10.916 ======================= Grid point 401 (81/189) ======================= q-point: (-0.50 0.30 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -24.433 -18.592 4.663) 31.054 3.084 ( 24.433 -18.592 4.663) 31.054 5.149 ( -13.709 12.811 15.245) 24.176 5.149 ( 13.709 12.811 15.245) 24.176 6.040 ( -13.092 -3.882 25.942) 29.317 6.040 ( 13.092 -3.882 25.942) 29.317 6.818 ( -10.134 -2.694 -3.586) 11.082 6.818 ( 10.134 -2.694 -3.586) 11.082 9.221 ( -12.157 5.028 -21.895) 25.543 9.221 ( 12.157 5.028 -21.895) 25.543 14.577 ( -5.623 7.664 20.613) 22.699 14.577 ( 5.623 7.664 20.613) 22.699 15.221 ( -16.358 1.836 3.838) 16.902 15.221 ( 16.358 1.836 3.838) 16.902 17.493 ( -10.004 -11.632 0.191) 15.344 17.493 ( 10.004 -11.632 0.191) 15.344 21.397 ( -8.224 -0.420 -8.596) 11.904 21.397 ( 8.224 -0.420 -8.596) 11.904 ======================= Grid point 411 (82/189) ======================= q-point: ( 0.40 0.40 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 2.637 2.637 11.669) 12.251 3.148 ( -21.857 -21.857 3.044) 31.060 5.125 ( 15.116 15.116 21.548) 30.352 5.628 ( 8.321 8.321 -8.452) 14.488 5.655 ( -2.024 -2.024 48.934) 49.018 6.161 ( -7.976 -7.976 22.176) 24.880 6.652 ( 1.775 1.775 -3.637) 4.419 6.900 ( -8.121 -8.121 -6.311) 13.105 9.139 ( 9.634 9.634 -22.895) 26.642 9.416 ( -2.654 -2.654 -22.748) 23.055 14.601 ( 7.387 7.387 21.534) 23.934 14.808 ( 1.558 1.558 27.038) 27.128 14.976 ( 7.165 7.165 -1.016) 10.184 15.474 ( -10.250 -10.250 7.841) 16.481 17.219 ( 0.505 0.505 -7.881) 7.913 17.477 ( -10.241 -10.241 -0.813) 14.506 21.293 ( 4.128 4.128 -7.765) 9.715 21.479 ( -4.169 -4.169 -7.400) 9.462 ======================= Grid point 412 (83/189) ======================= q-point: (-0.50 0.40 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -14.239 -11.375 8.228) 19.996 2.761 ( 14.239 -11.375 8.228) 19.996 5.421 ( -12.728 12.516 27.146) 32.489 5.421 ( 12.728 12.516 27.146) 32.489 5.936 ( -13.132 -6.161 13.403) 19.749 5.936 ( 13.132 -6.161 13.403) 19.749 6.740 ( -6.420 -3.760 -3.993) 8.444 6.740 ( 6.420 -3.760 -3.993) 8.444 9.316 ( -6.836 3.533 -23.179) 24.423 9.316 ( 6.836 3.533 -23.179) 24.423 14.744 ( -5.758 7.626 23.439) 25.312 14.744 ( 5.758 7.626 23.439) 25.312 15.214 ( -13.281 -2.204 4.749) 14.275 15.214 ( 13.281 -2.204 4.749) 14.275 17.299 ( -6.539 -6.483 -5.647) 10.802 17.299 ( 6.539 -6.483 -5.647) 10.802 21.386 ( -4.582 -0.510 -7.138) 8.497 21.386 ( 4.582 -0.510 -7.138) 8.497 ======================= Grid point 428 (84/189) ======================= q-point: (-0.50 -0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.000 0.000 10.072) 10.072 2.637 ( 0.000 0.000 10.072) 10.072 5.600 ( 0.000 0.000 53.604) 53.604 5.600 ( 0.000 0.000 53.604) 53.604 5.827 ( -0.000 -0.000 -14.651) 14.651 5.827 ( 0.000 0.000 -14.651) 14.651 6.696 ( 0.000 0.000 -2.915) 2.915 6.696 ( 0.000 0.000 -2.915) 2.915 9.355 ( 0.000 0.000 -23.659) 23.659 9.355 ( 0.000 0.000 -23.659) 23.659 14.843 ( 0.000 0.000 27.222) 27.222 14.843 ( 0.000 0.000 27.222) 27.222 15.173 ( -0.000 -0.000 2.525) 2.525 15.173 ( 0.000 0.000 2.525) 2.525 17.230 ( 0.000 0.000 -7.966) 7.966 17.230 ( 0.000 0.000 -7.966) 7.966 21.380 ( 0.000 0.000 -6.643) 6.643 21.380 ( 0.000 0.000 -6.643) 6.643 ======================= Grid point 484 (85/189) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 0.000 0.000 27.417) 27.417 2.541 ( 0.000 0.000 27.417) 27.417 4.772 ( -0.000 -0.000 35.157) 35.157 5.576 ( 0.000 0.000 61.603) 61.603 6.306 ( 0.000 0.000 -8.670) 8.670 6.306 ( 0.000 0.000 -8.670) 8.670 6.986 ( -0.000 -0.000 44.383) 44.383 7.454 ( 0.000 0.000 -10.780) 10.780 7.454 ( 0.000 0.000 -10.780) 10.780 9.537 ( 0.000 0.000 -17.715) 17.715 15.043 ( 0.000 0.000 26.083) 26.083 15.043 ( 0.000 0.000 26.083) 26.083 16.785 ( -0.000 0.000 7.892) 7.892 17.039 ( 0.000 0.000 -6.613) 6.613 17.039 ( -0.000 0.000 -6.613) 6.613 18.425 ( -0.000 -0.000 -1.059) 1.059 19.417 ( -0.000 -0.000 3.192) 3.192 21.514 ( 0.000 0.000 -11.292) 11.292 ======================= Grid point 485 (86/189) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 4.605 0.000 24.955) 25.376 2.653 ( 10.560 0.000 24.591) 26.762 4.810 ( 3.329 0.000 33.124) 33.291 5.691 ( 10.640 0.000 57.058) 58.042 6.175 ( -11.983 0.000 -6.635) 13.697 6.401 ( 7.754 0.000 -10.353) 12.935 6.943 ( -3.605 0.000 29.751) 29.969 7.461 ( 1.462 0.000 -9.838) 9.946 7.508 ( 4.114 0.000 2.331) 4.728 9.503 ( -3.147 0.000 -18.070) 18.342 15.033 ( -0.955 0.000 25.975) 25.992 15.047 ( 0.433 0.000 25.392) 25.396 16.378 ( -25.030 0.000 -1.650) 25.084 16.462 ( -40.856 0.000 -0.326) 40.857 17.362 ( 17.494 0.000 2.341) 17.650 18.939 ( 33.419 0.000 -0.298) 33.420 19.354 ( -3.819 0.000 -1.937) 4.283 21.508 ( -0.589 0.000 -11.395) 11.410 ======================= Grid point 486 (87/189) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 11.616 0.000 18.112) 21.517 2.972 ( 19.473 0.000 17.851) 26.417 4.896 ( 4.532 0.000 27.182) 27.557 5.833 ( -20.053 0.000 -5.738) 20.857 5.972 ( 13.914 0.000 41.738) 43.996 6.555 ( 6.046 0.000 -4.664) 7.636 6.845 ( -5.841 0.000 13.181) 14.418 7.573 ( 10.490 0.000 -10.367) 14.748 7.583 ( 2.380 0.000 19.106) 19.254 9.405 ( -6.210 0.000 -18.619) 19.628 14.994 ( -3.201 0.000 24.698) 24.905 15.056 ( 0.060 0.000 22.332) 22.332 15.628 ( -35.854 0.000 5.616) 36.292 15.854 ( -23.792 0.000 -5.570) 24.435 17.685 ( 13.252 0.000 5.904) 14.508 19.080 ( -10.974 0.000 13.574) 17.455 19.756 ( 31.977 0.000 -17.420) 36.414 21.485 ( -1.755 0.000 -11.677) 11.808 ======================= Grid point 487 (88/189) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 20.294 0.000 9.036) 22.215 3.448 ( 25.321 0.000 10.632) 27.463 4.974 ( 1.809 0.000 17.929) 18.020 5.356 ( -25.055 0.000 -6.939) 25.998 6.146 ( 1.275 0.000 6.599) 6.720 6.692 ( -8.788 0.000 4.796) 10.011 6.725 ( 12.350 0.000 28.824) 31.358 7.591 ( -1.762 0.000 29.784) 29.836 7.896 ( 19.011 0.000 -15.110) 24.284 9.243 ( -9.365 0.000 -18.613) 20.836 14.870 ( -9.358 0.000 16.109) 18.630 14.911 ( -19.405 0.000 0.832) 19.423 15.150 ( -3.707 0.000 25.074) 25.346 15.442 ( -14.098 0.000 -0.249) 14.100 17.926 ( 10.057 0.000 7.861) 12.764 18.816 ( -13.199 0.000 12.142) 17.934 20.359 ( 25.027 0.000 -15.544) 29.461 21.428 ( -3.918 0.000 -12.095) 12.714 ======================= Grid point 488 (89/189) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 26.604 0.000 1.502) 26.646 4.001 ( 26.451 0.000 6.240) 27.178 4.798 ( -27.687 0.000 -8.467) 28.953 4.904 ( -9.955 0.000 6.810) 12.062 6.139 ( 1.550 0.000 -3.203) 3.558 6.482 ( -10.955 0.000 0.973) 10.998 7.032 ( 15.061 0.000 41.459) 44.110 7.505 ( -6.595 0.000 36.091) 36.689 8.313 ( 19.791 0.000 -17.833) 26.640 9.010 ( -12.914 0.000 -18.248) 22.356 14.570 ( -10.477 0.000 -1.731) 10.619 14.635 ( -10.934 0.000 2.297) 11.172 15.154 ( 1.484 0.000 23.174) 23.221 15.260 ( -4.748 0.000 12.822) 13.673 18.122 ( 9.039 0.000 9.135) 12.851 18.549 ( -11.982 0.000 11.329) 16.489 20.805 ( 17.806 0.000 -14.353) 22.871 21.313 ( -7.274 0.000 -12.653) 14.595 ======================= Grid point 489 (90/189) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( -26.814 0.000 0.120) 26.814 4.164 ( 26.814 0.000 0.120) 26.814 4.561 ( -20.268 0.000 -2.156) 20.382 4.561 ( 20.268 0.000 -2.156) 20.382 6.260 ( -9.266 0.000 -1.003) 9.320 6.260 ( 9.266 0.000 -1.003) 9.320 7.314 ( -11.483 0.000 40.105) 41.717 7.314 ( 11.483 0.000 40.105) 41.717 8.699 ( -16.778 0.000 -18.183) 24.742 8.699 ( 16.778 0.000 -18.183) 24.742 14.486 ( -2.166 0.000 -2.304) 3.162 14.486 ( 2.166 0.000 -2.304) 3.162 15.193 ( -2.262 0.000 19.532) 19.662 15.193 ( 2.262 0.000 19.532) 19.662 18.319 ( -10.035 0.000 10.260) 14.352 18.319 ( 10.035 0.000 10.260) 14.352 21.114 ( -11.883 0.000 -13.390) 17.903 21.114 ( 11.883 0.000 -13.390) 17.903 ======================= Grid point 496 (91/189) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 445 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 1.257 1.257 25.174) 25.237 2.817 ( 12.793 12.793 20.167) 27.093 4.853 ( 3.718 3.718 31.214) 31.654 5.777 ( 7.142 7.142 47.408) 48.472 6.129 ( -10.102 -10.102 1.950) 14.419 6.326 ( 0.920 0.920 -8.376) 8.476 7.029 ( 5.454 5.454 20.770) 22.156 7.431 ( -1.289 -1.289 -10.962) 11.112 7.552 ( 3.397 3.397 7.733) 9.104 9.473 ( -2.868 -2.868 -18.508) 18.947 15.011 ( -1.384 -1.384 24.827) 24.904 15.070 ( 1.246 1.246 25.987) 26.046 15.771 ( -30.985 -30.985 -2.220) 43.875 16.935 ( -5.687 -5.687 10.192) 12.984 17.034 ( -0.190 -0.190 -6.913) 6.918 19.155 ( 2.971 2.971 15.613) 16.168 19.400 ( 15.817 15.817 -17.830) 28.605 21.511 ( 0.099 0.099 -11.525) 11.526 ======================= Grid point 497 (92/189) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 8.491 -4.173 20.499) 22.577 3.170 ( 20.648 15.214 13.555) 29.010 4.946 ( 4.708 4.420 25.607) 26.409 5.671 ( -20.654 -14.502 -8.369) 26.588 6.077 ( 9.229 8.071 43.743) 45.429 6.423 ( 6.336 -5.659 0.698) 8.524 7.052 ( -4.679 13.197 7.401) 15.837 7.483 ( 5.941 -6.128 0.498) 8.550 7.649 ( 7.157 3.967 7.365) 11.010 9.383 ( -5.744 -2.106 -19.266) 20.214 14.973 ( -3.002 -1.670 23.400) 23.651 15.072 ( -5.654 -1.416 17.290) 18.246 15.192 ( -18.038 -19.975 5.932) 27.560 16.309 ( -31.681 24.002 1.523) 39.776 17.422 ( 17.276 -22.116 2.735) 28.197 18.994 ( -12.157 -8.142 12.351) 19.148 19.924 ( 26.683 14.169 -14.622) 33.564 21.503 ( -1.140 1.341 -11.733) 11.865 ======================= Grid point 498 (93/189) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 17.130 -9.718 12.366) 23.255 3.662 ( 25.676 15.984 7.543) 31.171 5.000 ( -4.603 0.089 11.974) 12.829 5.193 ( -19.421 -12.235 -3.906) 23.283 6.192 ( 0.580 4.380 9.155) 10.166 6.610 ( 9.527 -2.403 25.600) 27.421 6.895 ( -6.744 9.386 7.128) 13.579 7.541 ( -0.971 -4.822 26.668) 27.117 7.927 ( 18.050 3.189 -12.596) 22.240 9.231 ( -8.893 -1.125 -19.429) 21.397 14.692 ( -15.522 -11.723 -1.533) 19.512 14.914 ( -5.666 0.033 17.120) 18.033 15.144 ( 1.331 1.179 25.151) 25.213 15.714 ( -23.632 18.897 1.478) 30.294 17.731 ( 12.642 -17.242 5.355) 22.041 18.716 ( -13.675 -9.148 11.291) 19.955 20.438 ( 22.048 7.008 -13.617) 26.845 21.453 ( -3.765 2.023 -11.887) 12.632 ======================= Grid point 499 (94/189) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 24.333 -14.554 4.252) 28.671 4.204 ( 23.580 13.649 6.331) 27.972 4.552 ( -25.662 -16.722 -9.595) 32.097 5.031 ( -8.078 7.025 6.504) 12.526 6.193 ( 1.942 4.678 -0.118) 5.067 6.548 ( -11.180 5.515 1.401) 12.544 7.014 ( 13.274 -1.786 37.843) 40.143 7.462 ( -6.397 -4.150 34.487) 35.320 8.328 ( 19.157 1.680 -17.357) 25.906 9.007 ( -12.536 -0.226 -18.961) 22.732 14.486 ( -3.874 -3.318 -3.093) 5.965 14.732 ( -11.143 5.119 6.767) 14.005 15.179 ( 2.050 2.262 23.030) 23.232 15.364 ( -10.007 9.086 10.421) 17.067 17.970 ( 10.609 -13.743 7.179) 18.787 18.439 ( -12.572 -10.112 10.167) 19.071 20.843 ( 16.647 3.391 -12.985) 21.383 21.338 ( -7.371 2.057 -12.096) 14.313 ======================= Grid point 500 (95/189) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( -27.799 -17.290 -0.808) 32.747 3.929 ( 27.799 -17.290 -0.808) 32.747 4.729 ( -20.015 11.409 0.253) 23.040 4.729 ( 20.015 11.409 0.253) 23.040 6.317 ( -9.513 4.973 -0.180) 10.735 6.317 ( 9.513 4.973 -0.180) 10.735 7.278 ( -11.011 -3.584 38.036) 39.760 7.278 ( 11.011 -3.584 38.036) 39.760 8.704 ( -16.359 0.602 -18.427) 24.648 8.704 ( 16.359 0.602 -18.427) 24.648 14.524 ( -6.946 3.633 -1.301) 7.946 14.524 ( 6.946 3.633 -1.301) 7.946 15.235 ( -3.636 3.795 18.866) 19.584 15.235 ( 3.636 3.795 18.866) 19.584 18.193 ( -10.972 -11.511 8.733) 18.142 18.193 ( 10.972 -11.511 8.733) 18.142 21.139 ( -11.698 2.157 -12.463) 17.229 21.139 ( 11.698 2.157 -12.463) 17.229 ======================= Grid point 508 (96/189) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 1.967 1.967 19.770) 19.965 3.558 ( 21.362 21.362 8.445) 31.369 5.059 ( 5.764 5.764 21.061) 22.583 5.251 ( -24.193 -24.193 -10.929) 35.918 6.277 ( 9.252 9.252 52.696) 54.296 6.381 ( 1.703 1.703 -7.418) 7.799 7.286 ( 2.780 2.780 22.470) 22.812 7.320 ( -4.259 -4.259 -10.846) 12.406 7.774 ( 8.906 8.906 1.722) 12.713 9.316 ( -4.388 -4.388 -20.595) 21.510 14.734 ( -16.109 -16.109 -2.632) 22.934 14.953 ( -1.303 -1.303 20.392) 20.475 15.141 ( 2.096 2.096 25.768) 25.938 16.598 ( -9.985 -9.985 11.270) 18.067 17.029 ( 0.049 0.049 -7.559) 7.559 18.760 ( -13.413 -13.413 10.861) 21.858 20.268 ( 17.327 17.327 -11.739) 27.171 21.521 ( -0.019 -0.019 -11.609) 11.609 ======================= Grid point 509 (97/189) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 10.504 -5.559 14.857) 19.025 4.042 ( 24.092 19.648 5.037) 31.494 4.695 ( -27.529 -23.536 -9.702) 37.495 5.175 ( 4.094 5.805 13.537) 15.287 6.321 ( -1.334 7.602 10.973) 13.416 6.573 ( 11.978 -1.820 29.997) 32.351 7.062 ( -12.343 5.620 1.875) 13.691 7.391 ( 0.207 -9.280 23.703) 25.455 8.039 ( 15.772 7.715 -10.862) 20.646 9.195 ( -7.340 -2.406 -21.378) 22.731 14.497 ( -6.167 -5.857 -4.085) 9.435 14.921 ( -2.180 0.732 17.987) 18.134 15.186 ( 2.184 2.451 25.323) 25.535 16.084 ( -27.564 13.905 5.762) 31.405 17.296 ( 15.491 -21.138 -1.211) 26.234 18.459 ( -14.791 -14.631 9.288) 22.784 20.621 ( 16.061 9.751 -10.693) 21.619 21.488 ( -3.366 0.730 -11.184) 11.702 ======================= Grid point 510 (98/189) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 804 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 18.901 -12.864 7.735) 24.137 4.095 ( -27.157 -21.657 -2.866) 34.853 4.559 ( 22.349 15.628 -0.704) 27.280 5.188 ( -4.075 8.071 5.953) 10.825 6.314 ( 2.025 6.517 5.237) 8.602 6.664 ( -8.570 4.415 7.412) 12.161 6.952 ( 7.301 -4.125 27.839) 29.075 7.328 ( -5.845 -8.653 31.006) 32.717 8.393 ( 17.097 4.645 -17.048) 24.587 9.003 ( -11.068 -0.216 -21.009) 23.747 14.477 ( 4.015 2.724 -3.514) 5.991 14.833 ( -6.965 4.791 11.270) 14.088 15.238 ( 3.046 3.038 23.252) 23.647 15.590 ( -18.182 11.023 8.527) 22.909 17.599 ( 13.485 -20.033 2.208) 24.250 18.155 ( -14.009 -16.069 7.222) 22.508 20.933 ( 13.666 4.848 -10.469) 17.885 21.377 ( -7.178 1.223 -10.756) 12.989 ======================= Grid point 511 (99/189) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -24.861 -18.661 1.010) 31.102 3.541 ( 24.861 -18.661 1.010) 31.102 4.975 ( -15.959 11.968 1.237) 19.987 4.975 ( 15.959 11.968 1.237) 19.987 6.439 ( -9.619 5.937 3.009) 11.697 6.439 ( 9.619 5.937 3.009) 11.697 7.160 ( -9.793 -7.685 33.452) 35.693 7.160 ( 9.793 -7.685 33.452) 35.693 8.731 ( -14.789 2.044 -19.655) 24.682 8.731 ( 14.789 2.044 -19.655) 24.682 14.638 ( -10.168 7.211 1.192) 12.523 14.638 ( 10.168 7.211 1.192) 12.523 15.335 ( -7.115 5.211 17.657) 19.737 15.335 ( 7.115 5.211 17.657) 19.737 17.873 ( -13.032 -17.877 4.828) 22.644 17.873 ( 13.032 -17.877 4.828) 22.644 21.189 ( -10.686 2.271 -10.519) 15.165 21.189 ( 10.686 2.271 -10.519) 15.165 ======================= Grid point 520 (100/189) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 445 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 2.146 2.146 14.312) 14.630 4.154 ( -25.142 -25.142 -4.060) 35.787 4.483 ( 20.094 20.094 -0.514) 28.422 5.303 ( 5.503 5.503 7.960) 11.133 6.469 ( 2.497 2.497 -5.663) 6.674 6.551 ( 3.640 3.640 48.128) 48.402 7.075 ( -7.080 -7.080 -9.295) 13.662 7.200 ( -5.813 -5.813 36.285) 37.205 8.250 ( 12.067 12.067 -14.334) 22.286 9.123 ( -4.644 -4.644 -23.157) 24.070 14.464 ( 2.789 2.789 -4.503) 5.986 14.942 ( 0.995 0.995 16.354) 16.415 15.237 ( 2.351 2.351 25.581) 25.796 16.140 ( -11.362 -11.362 11.661) 19.854 17.040 ( 0.411 0.411 -8.117) 8.137 18.131 ( -16.146 -16.146 6.527) 23.748 20.831 ( 10.079 10.079 -9.085) 16.902 21.469 ( -2.647 -2.647 -10.176) 10.843 ======================= Grid point 521 (101/189) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 11.034 -6.875 10.512) 16.719 3.631 ( -23.808 -21.602 -0.981) 32.162 4.901 ( 18.675 16.456 -0.463) 24.895 5.363 ( -0.956 8.149 1.703) 8.380 6.455 ( 0.471 6.728 8.990) 11.239 6.691 ( 2.519 -2.423 25.221) 25.462 6.864 ( -5.959 -3.544 9.185) 11.508 7.107 ( -5.389 -11.905 30.883) 33.535 8.522 ( 13.324 7.487 -19.056) 24.428 8.992 ( -8.025 -1.086 -23.592) 24.943 14.602 ( 9.735 9.045 -2.551) 13.531 14.941 ( -2.004 5.465 12.493) 13.783 15.293 ( 3.562 1.998 24.181) 24.524 15.759 ( -19.920 3.367 10.820) 22.917 17.212 ( 12.286 -14.693 -4.547) 19.685 17.799 ( -15.359 -17.282 3.178) 23.338 21.037 ( 9.561 4.996 -8.599) 13.795 21.378 ( -5.975 -1.275 -9.283) 11.113 ======================= Grid point 522 (102/189) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -18.707 -15.151 4.769) 24.541 3.180 ( 18.707 -15.151 4.769) 24.541 5.229 ( -11.723 12.142 -0.850) 16.899 5.229 ( 11.723 12.142 -0.850) 16.899 6.547 ( -8.226 4.182 7.992) 12.208 6.547 ( 8.226 4.182 7.992) 12.208 6.963 ( -8.003 -10.754 30.085) 32.936 6.963 ( 8.003 -10.754 30.085) 32.936 8.786 ( -11.463 3.012 -22.253) 25.213 8.786 ( 11.463 3.012 -22.253) 25.213 14.822 ( -9.414 10.148 4.202) 14.465 14.822 ( 9.414 10.148 4.202) 14.465 15.428 ( -10.555 2.932 17.369) 20.535 15.428 ( 10.555 2.932 17.369) 20.535 17.491 ( -14.039 -17.506 -0.494) 22.445 17.491 ( 14.039 -17.506 -0.494) 22.445 21.226 ( -8.295 1.184 -8.733) 12.103 21.226 ( 8.295 1.184 -8.733) 12.103 ======================= Grid point 532 (103/189) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 1.470 1.470 11.001) 11.196 3.218 ( -17.202 -17.202 3.774) 24.618 5.230 ( 14.349 14.349 -2.849) 20.492 5.498 ( 3.581 3.581 -4.255) 6.614 6.578 ( 2.400 2.400 -3.864) 5.143 6.620 ( 0.346 0.346 49.166) 49.168 6.780 ( -6.167 -6.167 -5.844) 10.498 6.870 ( -8.892 -8.892 42.429) 44.253 8.690 ( 8.074 8.074 -22.548) 25.274 8.946 ( -3.441 -3.441 -25.273) 25.737 14.836 ( 12.383 12.383 0.301) 17.515 15.049 ( 4.159 4.159 10.152) 11.733 15.324 ( 1.620 1.620 25.485) 25.588 15.682 ( -10.106 -10.106 13.800) 19.867 17.059 ( 0.429 0.429 -8.389) 8.411 17.455 ( -15.047 -15.047 -1.465) 21.330 21.141 ( 4.883 4.883 -7.699) 10.342 21.326 ( -3.450 -3.450 -8.159) 9.507 ======================= Grid point 533 (104/189) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( -10.113 -8.453 8.436) 15.649 2.928 ( 10.113 -8.453 8.436) 15.649 5.466 ( -7.032 9.586 -5.883) 13.265 5.466 ( 7.032 9.586 -5.883) 13.265 6.611 ( -4.828 1.953 13.493) 14.464 6.611 ( 4.828 1.953 13.493) 14.464 6.740 ( -5.130 -9.434 29.713) 31.594 6.740 ( 5.130 -9.434 29.713) 31.594 8.844 ( -6.299 2.179 -24.995) 25.868 8.844 ( 6.299 2.179 -24.995) 25.868 15.049 ( -5.707 10.966 6.250) 13.852 15.049 ( 5.707 10.966 6.250) 13.852 15.435 ( -10.294 -2.557 18.979) 21.742 15.435 ( 10.294 -2.557 18.979) 21.742 17.185 ( -10.287 -10.746 -5.938) 16.017 17.185 ( 10.287 -10.746 -5.938) 16.017 21.241 ( -4.557 0.314 -7.600) 8.866 21.241 ( 4.557 0.314 -7.600) 8.866 ======================= Grid point 549 (105/189) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 0.000 0.000 9.976) 9.976 2.838 ( 0.000 0.000 9.976) 9.976 5.579 ( 0.000 0.000 -9.997) 9.997 5.579 ( 0.000 0.000 -9.997) 9.997 6.622 ( 0.000 0.000 50.629) 50.629 6.622 ( 0.000 0.000 50.629) 50.629 6.636 ( 0.000 0.000 -3.182) 3.182 6.636 ( 0.000 0.000 -3.182) 3.182 8.868 ( 0.000 0.000 -26.142) 26.142 8.868 ( 0.000 0.000 -26.142) 26.142 15.215 ( 0.000 0.000 1.658) 1.658 15.215 ( 0.000 0.000 1.658) 1.658 15.360 ( -0.000 -0.000 25.453) 25.453 15.360 ( 0.000 0.000 25.453) 25.453 17.069 ( 0.000 0.000 -8.448) 8.448 17.069 ( 0.000 0.000 -8.448) 8.448 21.243 ( 0.000 0.000 -7.220) 7.220 21.243 ( 0.000 0.000 -7.220) 7.220 ======================= Grid point 605 (106/189) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -0.000 -0.000 23.114) 23.114 3.033 ( 0.000 0.000 23.114) 23.114 5.472 ( 0.000 0.000 36.648) 36.648 6.084 ( -0.000 -0.000 -14.002) 14.002 6.084 ( 0.000 0.000 -14.002) 14.002 6.688 ( 0.000 0.000 52.488) 52.488 7.298 ( -0.000 -0.000 -5.105) 5.105 7.298 ( -0.000 -0.000 -5.105) 5.105 7.776 ( 0.000 0.000 36.035) 36.035 9.151 ( -0.000 0.000 -21.907) 21.907 15.522 ( -0.000 0.000 22.741) 22.741 15.522 ( 0.000 0.000 22.741) 22.741 16.913 ( 0.000 0.000 -6.188) 6.188 16.913 ( 0.000 0.000 -6.188) 6.188 16.947 ( 0.000 0.000 8.908) 8.908 18.345 ( -0.000 0.000 -7.230) 7.230 19.536 ( -0.000 0.000 9.097) 9.097 21.274 ( -0.000 -0.000 -13.360) 13.360 ======================= Grid point 606 (107/189) ======================= q-point: ( 0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 0.850 0.000 21.487) 21.503 3.100 ( 6.418 0.000 21.185) 22.136 5.469 ( -0.807 0.000 33.852) 33.861 5.961 ( -11.520 0.000 -14.144) 18.242 6.056 ( -1.502 0.000 -13.143) 13.229 6.835 ( 12.388 0.000 48.610) 50.164 7.170 ( -9.276 0.000 0.496) 9.289 7.320 ( 2.569 0.000 -4.378) 5.076 7.917 ( 10.167 0.000 31.071) 32.692 9.114 ( -3.471 0.000 -21.997) 22.270 15.508 ( -1.620 0.000 22.342) 22.401 15.514 ( -1.035 0.000 22.057) 22.082 16.340 ( -28.929 0.000 -2.047) 29.001 16.430 ( -35.404 0.000 -2.525) 35.494 17.427 ( 20.759 0.000 4.415) 21.223 18.778 ( 30.379 0.000 -13.062) 33.069 19.484 ( -4.022 0.000 12.003) 12.659 21.268 ( -0.618 0.000 -13.291) 13.305 ======================= Grid point 607 (108/189) ======================= q-point: ( 0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 4.382 0.000 16.360) 16.936 3.303 ( 12.940 0.000 15.867) 20.475 5.417 ( -4.489 0.000 23.432) 23.858 5.624 ( -19.974 0.000 -13.935) 24.355 6.046 ( 0.210 0.000 -10.520) 10.522 6.968 ( -9.858 0.000 2.568) 10.187 7.135 ( 14.674 0.000 38.419) 41.126 7.442 ( 10.178 0.000 1.222) 10.251 8.111 ( 7.215 0.000 29.538) 30.407 9.015 ( -5.733 0.000 -21.238) 21.998 15.399 ( -12.315 0.000 14.586) 19.090 15.415 ( -14.294 0.000 12.518) 19.001 15.746 ( -21.367 0.000 8.691) 23.067 15.802 ( -18.108 0.000 2.294) 18.253 17.799 ( 14.864 0.000 5.954) 16.012 19.158 ( -3.097 0.000 -9.186) 9.694 19.609 ( 23.413 0.000 5.964) 24.161 21.244 ( -1.747 0.000 -13.022) 13.138 ======================= Grid point 608 (109/189) ======================= q-point: ( 0.30 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 11.583 0.000 7.902) 14.022 3.636 ( 18.611 0.000 8.373) 20.407 5.152 ( -24.473 0.000 -12.537) 27.497 5.269 ( -10.032 0.000 8.811) 13.352 6.056 ( 1.122 0.000 -2.202) 2.471 6.751 ( -10.943 0.000 2.459) 11.216 7.421 ( 13.095 0.000 18.321) 22.520 7.751 ( 17.980 0.000 13.786) 22.657 8.193 ( 0.359 0.000 27.034) 27.037 8.881 ( -7.000 0.000 -16.443) 17.871 14.911 ( -24.658 0.000 -0.586) 24.665 14.976 ( -22.850 0.000 -2.215) 22.957 15.598 ( -1.053 0.000 20.756) 20.783 15.634 ( -2.329 0.000 16.691) 16.853 18.063 ( 10.744 0.000 6.382) 12.496 18.959 ( -12.028 0.000 1.820) 12.165 20.142 ( 23.827 0.000 -5.867) 24.539 21.188 ( -3.844 0.000 -12.470) 13.049 ======================= Grid point 609 (110/189) ======================= q-point: ( 0.40 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 19.362 0.000 -1.780) 19.444 4.058 ( 20.179 0.000 -1.481) 20.233 4.627 ( -24.193 0.000 -7.224) 25.248 4.984 ( -17.024 0.000 0.312) 17.027 6.119 ( 5.366 0.000 3.763) 6.554 6.512 ( -11.621 0.000 2.745) 11.941 7.695 ( 12.880 0.000 10.987) 16.930 8.128 ( -6.265 0.000 20.153) 21.104 8.136 ( 17.750 0.000 13.102) 22.062 8.712 ( -9.484 0.000 -6.233) 11.349 14.512 ( -12.656 0.000 -3.233) 13.062 14.569 ( -14.645 0.000 -5.594) 15.678 15.595 ( 0.272 0.000 20.934) 20.936 15.611 ( -0.508 0.000 19.503) 19.509 18.269 ( 9.357 0.000 6.062) 11.149 18.704 ( -11.871 0.000 4.362) 12.647 20.575 ( 17.476 0.000 -8.942) 19.630 21.075 ( -7.159 0.000 -11.637) 13.663 ======================= Grid point 610 (111/189) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -22.580 0.000 -11.372) 25.282 4.033 ( 22.580 0.000 -11.372) 25.282 4.582 ( -19.742 0.000 2.455) 19.894 4.582 ( 19.742 0.000 2.455) 19.894 6.282 ( -9.850 0.000 3.933) 10.606 6.282 ( 9.850 0.000 3.933) 10.606 7.946 ( -10.703 0.000 13.218) 17.008 7.946 ( 10.703 0.000 13.218) 17.008 8.470 ( -13.837 0.000 4.911) 14.682 8.470 ( 13.837 0.000 4.911) 14.682 14.395 ( -1.537 0.000 -5.212) 5.434 14.395 ( 1.537 0.000 -5.212) 5.434 15.602 ( -0.378 0.000 20.438) 20.442 15.602 ( 0.378 0.000 20.438) 20.442 18.471 ( -10.259 0.000 5.415) 11.601 18.471 ( 10.259 0.000 5.415) 11.601 20.879 ( -11.732 0.000 -10.529) 15.764 20.879 ( 11.732 0.000 -10.529) 15.764 ======================= Grid point 617 (112/189) ======================= q-point: ( 0.10 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -0.499 -0.499 21.413) 21.424 3.190 ( 7.731 7.731 17.983) 21.045 5.478 ( 0.289 0.289 32.229) 32.232 5.764 ( -13.865 -13.865 -16.980) 25.939 6.125 ( 1.820 1.820 -11.680) 11.960 6.918 ( 8.102 8.102 49.410) 50.721 7.188 ( -0.769 -0.769 0.777) 1.337 7.264 ( -1.716 -1.716 -5.965) 6.440 8.009 ( 7.270 7.270 30.811) 32.481 9.077 ( -3.387 -3.387 -22.240) 22.750 15.465 ( -2.549 -2.549 21.440) 21.740 15.546 ( 1.101 1.101 22.524) 22.577 15.716 ( -31.418 -31.418 -3.080) 44.539 16.902 ( -0.432 -0.432 -6.449) 6.478 17.118 ( -4.335 -4.335 8.779) 10.708 19.064 ( 17.286 17.286 -16.367) 29.419 19.462 ( 1.277 1.277 15.585) 15.689 21.270 ( 0.048 0.048 -13.249) 13.249 ======================= Grid point 618 (113/189) ======================= q-point: ( 0.20 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 2.700 -3.103 17.753) 18.223 3.421 ( 14.334 10.044 12.079) 21.266 5.374 ( -17.752 -11.074 -6.969) 22.053 5.489 ( -5.108 -3.367 15.695) 16.845 6.134 ( -0.277 5.652 -9.282) 10.871 7.030 ( -8.141 6.067 6.009) 11.798 7.166 ( 10.832 2.773 32.876) 34.725 7.383 ( 11.099 -5.243 -0.447) 12.283 8.158 ( 5.844 3.972 31.126) 31.918 8.980 ( -5.592 -3.175 -21.947) 22.870 15.085 ( -26.968 -23.053 -3.371) 35.638 15.390 ( -5.418 -2.057 18.769) 19.643 15.579 ( 1.214 0.241 21.707) 21.742 16.326 ( -30.906 26.650 0.531) 40.813 17.486 ( 18.793 -26.284 3.817) 32.536 19.104 ( -9.260 -6.556 -2.642) 11.650 19.776 ( 23.274 14.462 1.118) 27.424 21.262 ( -1.013 1.398 -12.964) 13.079 ======================= Grid point 619 (114/189) ======================= q-point: ( 0.30 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 9.131 -6.543 10.618) 15.457 3.782 ( 19.738 11.876 4.599) 23.490 4.913 ( -24.027 -16.950 -11.976) 31.750 5.373 ( -7.997 5.187 12.275) 15.541 6.130 ( 0.394 5.999 -3.594) 7.005 6.809 ( -11.733 5.118 0.221) 12.803 7.411 ( 11.934 -0.792 19.684) 23.033 7.693 ( 16.854 -5.072 11.055) 20.784 8.227 ( 0.641 2.836 28.547) 28.695 8.851 ( -6.756 -2.838 -17.760) 19.212 14.616 ( -17.065 -14.255 -4.594) 22.705 15.169 ( -17.109 5.770 7.758) 19.652 15.602 ( 0.924 1.535 21.515) 21.589 15.824 ( -14.521 15.634 9.693) 23.436 17.824 ( 13.795 -20.979 4.269) 25.468 18.855 ( -13.176 -9.586 2.652) 16.509 20.249 ( 20.821 9.009 -5.350) 23.309 21.217 ( -3.448 2.426 -12.270) 12.975 ======================= Grid point 620 (115/189) ======================= q-point: ( 0.40 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 16.793 -10.689 1.773) 19.985 4.183 ( 9.985 5.191 -10.197) 15.186 4.442 ( -12.418 -9.100 0.930) 15.424 5.128 ( -15.478 9.301 2.233) 18.195 6.177 ( 4.618 5.089 1.977) 7.151 6.557 ( -11.940 4.048 1.111) 12.657 7.665 ( 12.001 -2.749 13.146) 18.011 7.981 ( 5.675 -8.142 14.993) 17.981 8.240 ( 5.040 4.232 16.815) 18.057 8.690 ( -8.951 -2.142 -7.978) 12.180 14.391 ( -4.152 -4.277 -5.338) 8.001 14.753 ( -19.268 10.243 -2.027) 21.915 15.619 ( 0.715 2.224 21.012) 21.141 15.669 ( -2.995 5.434 17.820) 18.869 18.083 ( 11.409 -16.715 4.507) 20.734 18.578 ( -12.919 -11.492 4.086) 17.767 20.635 ( 15.994 5.162 -8.142) 18.675 21.110 ( -6.980 2.909 -11.227) 13.537 ======================= Grid point 621 (116/189) ======================= q-point: (-0.50 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( -22.094 -14.109 -6.953) 27.121 3.847 ( 22.094 -14.109 -6.953) 27.121 4.740 ( -20.690 11.660 0.547) 23.756 4.740 ( 20.690 11.660 0.547) 23.756 6.328 ( -9.488 4.118 2.559) 10.655 6.328 ( 9.488 4.118 2.559) 10.655 7.896 ( -9.370 -4.573 14.594) 17.936 7.896 ( 9.370 -4.573 14.594) 17.936 8.466 ( -12.237 -0.399 3.040) 12.615 8.466 ( 12.237 -0.399 3.040) 12.615 14.445 ( -9.167 4.787 -4.899) 11.443 14.445 ( 9.167 4.787 -4.899) 11.443 15.635 ( -0.939 2.948 20.083) 20.320 15.635 ( 0.939 2.948 20.083) 20.320 18.321 ( -11.633 -13.690 4.470) 18.512 18.321 ( 11.633 -13.690 4.470) 18.512 20.920 ( -11.251 3.467 -9.903) 15.384 20.920 ( 11.251 3.467 -9.903) 15.384 ======================= Grid point 629 (117/189) ======================= q-point: ( 0.20 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -0.736 -0.736 16.765) 16.798 3.699 ( 16.209 16.209 6.037) 23.705 4.989 ( -21.862 -21.862 -14.703) 34.236 5.495 ( 0.416 0.416 22.445) 22.453 6.226 ( 2.911 2.911 -7.551) 8.600 7.140 ( -4.287 -4.287 -7.291) 9.483 7.241 ( 6.197 6.197 42.419) 43.315 7.322 ( 6.229 6.229 -3.542) 9.494 8.245 ( 3.629 3.629 32.966) 33.363 8.889 ( -5.278 -5.278 -23.223) 24.393 14.646 ( -17.396 -17.396 -4.983) 25.102 15.337 ( -3.164 -3.164 17.895) 18.447 15.610 ( 1.900 1.900 22.015) 22.179 16.804 ( -9.658 -9.658 9.874) 16.853 16.886 ( -0.240 -0.240 -7.015) 7.024 18.888 ( -13.179 -13.179 1.968) 18.741 20.123 ( 17.174 17.174 -2.595) 24.425 21.286 ( 0.440 0.440 -12.539) 12.554 ======================= Grid point 630 (118/189) ======================= q-point: ( 0.30 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 4.789 -4.940 12.328) 14.118 4.074 ( 17.774 14.390 -2.397) 22.994 4.517 ( -21.221 -18.994 -6.944) 29.314 5.464 ( -3.936 3.358 14.830) 15.706 6.263 ( 1.141 5.971 -4.677) 7.670 6.926 ( -12.542 4.420 -4.320) 13.982 7.396 ( 8.418 -0.331 24.823) 26.214 7.577 ( 13.894 -4.521 6.917) 16.166 8.290 ( 0.604 2.671 29.545) 29.672 8.768 ( -6.202 -4.853 -21.450) 22.850 14.388 ( -6.727 -6.799 -5.884) 11.229 15.232 ( -8.099 1.210 13.048) 15.405 15.648 ( 1.615 2.519 21.630) 21.837 16.199 ( -25.792 17.749 5.948) 31.869 17.284 ( 18.232 -27.892 0.012) 33.322 18.581 ( -15.534 -15.848 3.199) 22.421 20.466 ( 15.332 10.910 -4.923) 19.451 21.266 ( -2.599 1.608 -11.555) 11.953 ======================= Grid point 631 (119/189) ======================= q-point: ( 0.40 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 12.107 -9.864 5.607) 16.593 3.965 ( -21.531 -17.866 -9.422) 29.522 4.577 ( 20.185 14.091 2.219) 24.717 5.308 ( -11.321 7.546 5.627) 14.723 6.306 ( 3.714 6.541 -0.945) 7.581 6.660 ( -12.233 5.011 -2.175) 13.398 7.589 ( 9.587 -4.104 19.592) 22.194 7.802 ( 5.304 -8.413 14.421) 17.518 8.310 ( 3.179 2.379 14.198) 14.742 8.626 ( -7.578 -3.825 -13.446) 15.901 14.373 ( 5.199 2.798 -5.831) 8.298 14.957 ( -17.428 8.966 2.400) 19.745 15.678 ( 1.370 3.159 20.953) 21.234 15.827 ( -9.790 9.013 14.342) 19.564 17.631 ( 15.267 -24.710 1.116) 29.068 18.255 ( -15.382 -18.497 2.976) 24.241 20.762 ( 12.827 6.399 -6.948) 15.930 21.172 ( -6.363 2.471 -10.215) 12.286 ======================= Grid point 632 (120/189) ======================= q-point: (-0.50 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( -18.632 -14.798 -1.731) 23.856 3.533 ( 18.632 -14.798 -1.731) 23.856 4.993 ( -18.221 11.835 0.803) 21.742 4.993 ( 18.221 11.835 0.803) 21.742 6.436 ( -8.732 5.652 -0.253) 10.404 6.436 ( 8.732 5.652 -0.253) 10.404 7.771 ( -6.687 -6.859 19.076) 21.346 7.771 ( 6.687 -6.859 19.076) 21.346 8.450 ( -8.775 -1.241 -2.587) 9.232 8.450 ( 8.775 -1.241 -2.587) 9.232 14.593 ( -15.206 9.257 -3.862) 18.216 14.593 ( 15.206 9.257 -3.862) 18.216 15.715 ( -2.610 4.361 19.301) 19.959 15.715 ( 2.610 4.361 19.301) 19.959 17.941 ( -14.648 -21.414 2.123) 26.031 17.941 ( 14.648 -21.414 2.123) 26.031 21.001 ( -9.882 3.772 -8.691) 13.690 21.001 ( 9.882 3.772 -8.691) 13.690 ======================= Grid point 641 (121/189) ======================= q-point: ( 0.30 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -0.088 -0.088 11.070) 11.071 4.003 ( -19.659 -19.659 -10.149) 29.597 4.509 ( 16.956 16.956 2.842) 24.148 5.501 ( -0.172 -0.172 11.761) 11.763 6.363 ( 3.559 3.559 -4.588) 6.810 6.915 ( -6.083 -6.083 -6.898) 11.027 7.417 ( 2.797 2.797 30.944) 31.196 7.568 ( 3.761 3.761 7.096) 8.868 8.325 ( 0.681 0.681 24.575) 24.594 8.656 ( -5.606 -5.606 -24.689) 25.931 14.347 ( 3.011 3.011 -6.337) 7.634 15.232 ( -1.590 -1.590 12.569) 12.769 15.698 ( 2.192 2.192 21.470) 21.693 16.371 ( -10.366 -10.366 11.789) 18.813 16.886 ( 0.234 0.234 -7.485) 7.492 18.219 ( -18.174 -18.174 2.510) 25.824 20.688 ( 10.156 10.156 -5.371) 15.334 21.268 ( -1.568 -1.568 -10.363) 10.598 ======================= Grid point 642 (122/189) ======================= q-point: ( 0.40 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 6.642 -5.619 7.415) 11.431 3.591 ( -18.489 -17.001 -3.208) 25.321 4.888 ( 17.841 14.913 0.159) 23.254 5.437 ( -6.437 4.561 5.832) 9.811 6.429 ( 3.486 4.857 -2.931) 6.658 6.728 ( -10.111 0.569 -4.594) 11.120 7.514 ( 5.979 -2.511 29.686) 30.386 7.657 ( 2.564 -4.790 18.153) 18.949 8.339 ( 1.589 0.478 7.068) 7.260 8.536 ( -5.893 -4.526 -21.512) 22.759 14.510 ( 12.143 10.159 -5.461) 16.747 15.124 ( -9.942 6.721 6.108) 13.466 15.740 ( 1.925 2.510 20.965) 21.203 16.001 ( -15.796 5.863 13.289) 21.459 17.130 ( 15.792 -20.575 -3.739) 26.205 17.838 ( -17.929 -20.559 0.855) 27.292 20.890 ( 9.069 5.733 -6.398) 12.492 21.198 ( -4.997 -0.084 -8.991) 10.286 ======================= Grid point 643 (123/189) ======================= q-point: (-0.50 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -13.391 -11.542 2.431) 17.845 3.253 ( 13.391 -11.542 2.431) 17.845 5.224 ( -13.620 10.045 1.204) 16.966 5.224 ( 13.620 10.045 1.204) 16.966 6.539 ( -7.298 3.600 -2.510) 8.516 6.539 ( 7.298 3.600 -2.510) 8.516 7.634 ( -4.421 -5.566 27.380) 28.288 7.634 ( 4.421 -5.566 27.380) 28.288 8.414 ( -5.316 -2.058 -11.661) 12.980 8.414 ( 5.316 -2.058 -11.661) 12.980 14.825 ( -16.608 12.489 -2.055) 20.881 14.825 ( 16.608 12.489 -2.055) 20.881 15.800 ( -4.746 3.228 18.886) 19.739 15.800 ( 4.746 3.228 18.886) 19.739 17.473 ( -16.859 -22.012 -1.276) 27.755 17.473 ( 16.859 -22.012 -1.276) 27.755 21.065 ( -7.524 2.281 -7.648) 10.968 21.065 ( 7.524 2.281 -7.648) 10.968 ======================= Grid point 653 (124/189) ======================= q-point: ( 0.40 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 0.446 0.446 7.052) 7.081 3.274 ( -12.862 -12.862 1.527) 18.254 5.183 ( 12.776 12.776 -0.409) 18.072 5.484 ( -0.516 -0.516 3.067) 3.152 6.507 ( 2.938 2.938 -3.299) 5.306 6.678 ( -4.592 -4.592 -4.529) 7.917 7.503 ( 1.454 1.454 37.284) 37.341 7.598 ( -1.705 -1.705 28.757) 28.858 8.342 ( 0.318 0.318 -7.468) 7.482 8.444 ( -4.129 -4.129 -26.184) 26.827 14.782 ( 15.136 15.136 -3.886) 21.755 15.212 ( 0.516 0.516 5.696) 5.742 15.780 ( 1.527 1.527 21.057) 21.168 15.986 ( -7.385 -7.385 16.292) 19.352 16.901 ( 0.379 0.379 -7.677) 7.696 17.420 ( -18.779 -18.779 -2.131) 26.643 21.002 ( 4.949 4.949 -6.475) 9.535 21.169 ( -2.579 -2.579 -7.862) 8.667 ======================= Grid point 654 (125/189) ======================= q-point: (-0.50 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -7.027 -6.272 4.965) 10.647 3.064 ( 7.027 -6.272 4.965) 10.647 5.401 ( -7.487 6.355 0.307) 9.825 5.401 ( 7.487 6.355 0.307) 9.825 6.577 ( -4.239 0.316 -3.241) 5.345 6.577 ( 4.239 0.316 -3.241) 5.345 7.554 ( -2.687 -2.058 37.619) 37.771 7.554 ( 2.687 -2.058 37.619) 37.771 8.371 ( -2.588 -1.821 -21.876) 22.103 8.371 ( 2.588 -1.821 -21.876) 22.103 15.090 ( -12.149 11.717 -0.080) 16.879 15.090 ( 12.149 11.717 -0.080) 16.879 15.832 ( -4.662 -0.308 19.724) 20.270 15.832 ( 4.662 -0.308 19.724) 20.270 17.073 ( -13.672 -14.751 -5.434) 20.834 17.073 ( 13.672 -14.751 -5.434) 20.834 21.097 ( -4.113 0.870 -6.997) 8.163 21.097 ( 4.113 0.870 -6.997) 8.163 ======================= Grid point 670 (126/189) ======================= q-point: (-0.50 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 0.000 0.000 5.775) 5.775 2.997 ( 0.000 0.000 5.775) 5.775 5.471 ( 0.000 0.000 -0.523) 0.523 5.471 ( 0.000 0.000 -0.523) 0.523 6.575 ( 0.000 0.000 -2.965) 2.965 6.575 ( 0.000 0.000 -2.965) 2.965 7.536 ( 0.000 0.000 42.664) 42.664 7.536 ( 0.000 0.000 42.664) 42.664 8.350 ( 0.000 0.000 -26.902) 26.902 8.350 ( 0.000 0.000 -26.902) 26.902 15.236 ( 0.000 0.000 0.550) 0.550 15.236 ( 0.000 0.000 0.550) 0.550 15.814 ( -0.000 -0.000 20.895) 20.895 15.814 ( 0.000 0.000 20.895) 20.895 16.910 ( 0.000 0.000 -7.702) 7.702 16.910 ( 0.000 0.000 -7.702) 7.702 21.106 ( 0.000 0.000 -6.778) 6.778 21.106 ( 0.000 0.000 -6.778) 6.778 ======================= Grid point 726 (127/189) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 0.000 0.000 18.086) 18.086 3.435 ( 0.000 0.000 18.086) 18.086 5.785 ( 0.000 0.000 -15.850) 15.850 5.785 ( 0.000 0.000 -15.850) 15.850 6.185 ( 0.000 0.000 36.491) 36.491 7.245 ( -0.000 -0.000 -0.810) 0.810 7.245 ( 0.000 0.000 -0.810) 0.810 7.599 ( 0.000 0.000 40.831) 40.831 8.356 ( 0.000 0.000 23.051) 23.051 8.687 ( 0.000 0.000 -25.892) 25.892 15.909 ( 0.000 0.000 16.650) 16.650 15.909 ( -0.000 0.000 16.650) 16.650 16.805 ( -0.000 -0.000 -4.802) 4.802 16.805 ( 0.000 0.000 -4.802) 4.802 17.134 ( 0.000 0.000 10.471) 10.471 18.154 ( 0.000 0.000 -11.991) 11.991 19.760 ( 0.000 0.000 13.597) 13.597 20.997 ( 0.000 0.000 -15.067) 15.067 ======================= Grid point 727 (128/189) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -1.535 0.000 17.236) 17.304 3.469 ( 3.327 0.000 16.612) 16.941 5.662 ( -11.353 0.000 -15.631) 19.318 5.702 ( -7.500 0.000 -14.779) 16.573 6.190 ( 0.572 0.000 33.249) 33.254 7.172 ( -6.256 0.000 0.551) 6.280 7.249 ( 0.513 0.000 -0.978) 1.105 7.725 ( 11.274 0.000 39.357) 40.940 8.448 ( 6.698 0.000 20.455) 21.524 8.655 ( -1.980 0.000 -24.002) 24.083 15.882 ( -3.858 0.000 15.685) 16.152 15.886 ( -3.180 0.000 15.822) 16.138 16.308 ( -28.802 0.000 -1.006) 28.820 16.377 ( -31.056 0.000 -2.637) 31.168 17.537 ( 21.586 0.000 6.983) 22.687 18.498 ( 23.631 0.000 -15.161) 28.077 19.753 ( 0.122 0.000 15.093) 15.094 20.994 ( -0.305 0.000 -14.825) 14.828 ======================= Grid point 728 (129/189) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -1.131 0.000 14.044) 14.090 3.577 ( 6.999 0.000 12.030) 13.918 5.338 ( -18.706 0.000 -14.398) 23.606 5.496 ( -11.707 0.000 -12.916) 17.432 6.211 ( 1.418 0.000 26.195) 26.233 7.010 ( -8.868 0.000 2.231) 9.144 7.277 ( 2.448 0.000 -3.104) 3.953 8.028 ( 16.572 0.000 36.888) 40.439 8.453 ( -6.563 0.000 -12.101) 13.766 8.736 ( 9.011 0.000 8.824) 12.612 15.514 ( -29.557 0.000 0.307) 29.559 15.529 ( -31.488 0.000 1.363) 31.517 15.977 ( -3.990 0.000 12.810) 13.417 15.978 ( -3.187 0.000 12.525) 12.924 17.923 ( 15.134 0.000 7.022) 16.684 18.877 ( 9.164 0.000 -16.384) 18.773 19.837 ( 9.712 0.000 14.242) 17.238 20.982 ( -0.981 0.000 -13.962) 13.996 ======================= Grid point 729 (130/189) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 3.130 0.000 7.404) 8.039 3.758 ( 9.891 0.000 3.780) 10.589 4.916 ( -20.534 0.000 -10.611) 23.113 5.224 ( -14.044 0.000 -10.640) 17.619 6.248 ( 2.092 0.000 19.716) 19.826 6.809 ( -10.126 0.000 3.650) 10.764 7.365 ( 6.201 0.000 -8.012) 10.131 8.267 ( -10.396 0.000 -18.612) 21.319 8.383 ( 16.581 0.000 34.093) 37.911 8.910 ( 6.421 0.000 17.637) 18.770 14.893 ( -26.685 0.000 -1.136) 26.710 14.909 ( -26.056 0.000 -3.313) 26.266 15.947 ( -0.331 0.000 14.921) 14.924 15.954 ( -0.303 0.000 14.623) 14.626 18.182 ( 10.012 0.000 6.105) 11.727 18.887 ( -5.704 0.000 -8.228) 10.012 20.138 ( 16.656 0.000 4.672) 17.298 20.947 ( -2.564 0.000 -12.297) 12.561 ======================= Grid point 730 (131/189) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 9.985 0.000 -2.151) 10.214 3.933 ( 3.395 0.000 -10.179) 10.730 4.556 ( -10.050 0.000 -0.465) 10.060 4.914 ( -15.237 0.000 -6.532) 16.578 6.307 ( 3.812 0.000 14.716) 15.202 6.598 ( -9.681 0.000 6.085) 11.434 7.538 ( 10.110 0.000 -13.835) 17.135 8.031 ( -11.998 0.000 -19.317) 22.739 8.697 ( 12.944 0.000 30.673) 33.292 8.981 ( 0.081 0.000 22.305) 22.305 14.457 ( -14.337 0.000 -2.368) 14.531 14.472 ( -14.878 0.000 -3.980) 15.401 15.947 ( 0.179 0.000 15.037) 15.038 15.952 ( 0.013 0.000 14.899) 14.899 18.365 ( 7.999 0.000 4.112) 8.994 18.721 ( -9.037 0.000 -2.251) 9.313 20.466 ( 13.969 0.000 -2.305) 14.158 20.865 ( -5.413 0.000 -9.855) 11.244 ======================= Grid point 731 (132/189) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( -13.172 0.000 -12.163) 17.928 3.793 ( 13.172 0.000 -12.163) 17.928 4.613 ( -12.045 0.000 0.520) 12.056 4.613 ( 12.045 0.000 0.520) 12.056 6.419 ( -7.059 0.000 10.023) 12.259 6.419 ( 7.059 0.000 10.023) 12.259 7.775 ( -12.123 0.000 -17.852) 21.580 7.775 ( 12.123 0.000 -17.852) 21.580 8.909 ( -6.941 0.000 26.659) 27.548 8.909 ( 6.941 0.000 26.659) 27.548 14.309 ( -0.402 0.000 -3.467) 3.491 14.309 ( 0.402 0.000 -3.467) 3.491 15.951 ( -0.131 0.000 15.000) 15.001 15.951 ( 0.131 0.000 15.000) 15.001 18.535 ( -8.470 0.000 1.393) 8.584 18.535 ( 8.470 0.000 1.393) 8.584 20.711 ( -9.428 0.000 -6.664) 11.545 20.711 ( 9.428 0.000 -6.664) 11.545 ======================= Grid point 738 (133/189) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 445 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( -1.874 -1.874 16.750) 16.958 3.509 ( 3.797 3.797 14.694) 15.644 5.418 ( -14.956 -14.956 -17.500) 27.452 5.788 ( 0.003 0.003 -10.540) 10.540 6.196 ( 0.624 0.624 29.832) 29.845 7.184 ( -1.526 -1.526 -0.054) 2.158 7.195 ( -2.433 -2.433 -1.551) 3.774 7.788 ( 6.610 6.610 38.882) 39.990 8.544 ( 7.396 7.396 22.461) 24.777 8.611 ( -3.460 -3.460 -25.679) 26.141 15.660 ( -31.955 -31.955 -2.478) 45.259 15.828 ( -3.657 -3.657 15.513) 16.352 15.928 ( 0.905 0.905 16.435) 16.485 16.789 ( -0.630 -0.630 -4.999) 5.078 17.280 ( -3.988 -3.988 7.867) 9.679 18.762 ( 15.968 15.968 -14.462) 26.816 19.768 ( 2.577 2.577 15.925) 16.337 20.998 ( 0.328 0.328 -14.604) 14.611 ======================= Grid point 739 (134/189) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( -1.754 -2.754 14.202) 14.573 3.631 ( 7.930 5.145 9.407) 13.336 5.071 ( -17.820 -16.399 -15.937) 28.991 5.686 ( -9.211 8.591 -6.918) 14.371 6.219 ( 1.527 0.783 22.850) 22.914 7.034 ( -8.952 2.106 0.352) 9.203 7.240 ( 3.520 -3.441 -3.845) 6.246 8.002 ( 12.878 -1.013 35.728) 37.991 8.477 ( -7.279 0.345 -19.336) 20.664 8.747 ( 9.241 1.844 17.853) 20.187 15.021 ( -27.791 -24.796 -2.901) 37.358 15.688 ( -12.138 0.039 11.573) 16.771 15.950 ( 0.917 1.135 15.992) 16.059 16.341 ( -24.441 23.761 1.283) 34.112 17.567 ( 18.081 -28.375 4.370) 33.928 18.943 ( 0.160 1.366 -11.105) 11.190 19.924 ( 12.577 8.489 11.699) 19.160 21.002 ( -0.204 1.694 -13.748) 13.854 ======================= Grid point 740 (135/189) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 1.910 -4.279 8.720) 9.899 3.830 ( 10.082 6.122 0.049) 11.795 4.695 ( -16.894 -14.197 -9.326) 23.957 5.431 ( -14.530 12.744 -6.019) 20.243 6.259 ( 2.307 1.057 16.956) 17.145 6.828 ( -10.349 1.713 2.186) 10.715 7.345 ( 6.640 -1.891 -8.592) 11.023 8.195 ( -2.804 -4.719 0.122) 5.490 8.401 ( 7.770 -0.162 12.539) 14.752 8.907 ( 5.421 -0.253 20.633) 21.335 14.535 ( -17.779 -15.506 -3.488) 23.848 15.246 ( -27.094 13.086 1.365) 30.120 15.965 ( 0.548 1.843 15.571) 15.689 16.041 ( -5.763 8.503 11.059) 15.094 17.900 ( 13.574 -23.999 3.526) 27.796 18.827 ( -9.369 -6.877 -4.768) 12.562 20.234 ( 15.417 8.202 3.384) 17.788 20.980 ( -2.055 2.869 -12.034) 12.541 ======================= Grid point 741 (136/189) ======================= q-point: ( 0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 8.382 -6.633 0.649) 10.709 3.931 ( -4.980 -2.810 -13.440) 14.606 4.494 ( 2.521 -0.353 2.839) 3.813 5.097 ( -17.010 13.124 -4.852) 22.025 6.322 ( 3.966 1.395 12.635) 13.316 6.614 ( -9.723 1.480 4.874) 10.976 7.520 ( 9.993 -1.607 -13.770) 17.089 8.002 ( -11.548 -2.432 -17.650) 21.232 8.660 ( 12.478 -3.571 27.766) 30.650 8.958 ( -0.738 -2.194 23.291) 23.406 14.300 ( -4.287 -4.976 -3.778) 7.577 14.707 ( -22.239 12.454 -2.255) 25.588 15.973 ( 0.225 2.277 15.063) 15.236 15.987 ( -0.806 3.357 14.090) 14.507 18.150 ( 10.818 -19.008 2.525) 22.016 18.603 ( -11.248 -11.128 -1.119) 15.862 20.533 ( 12.738 5.655 -2.392) 14.140 20.907 ( -5.132 3.520 -9.556) 11.404 ======================= Grid point 742 (137/189) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( -13.526 -8.567 -8.365) 18.064 3.690 ( 13.526 -8.567 -8.365) 18.064 4.738 ( -16.400 10.632 -0.818) 19.562 4.738 ( 16.400 10.632 -0.818) 19.562 6.436 ( -7.049 1.500 8.562) 11.191 6.436 ( 7.049 1.500 8.562) 11.191 7.753 ( -11.859 -1.950 -17.222) 21.001 7.753 ( 11.859 -1.950 -17.222) 21.001 8.872 ( -7.347 -3.442 26.015) 27.251 8.872 ( 7.347 -3.442 26.015) 27.251 14.362 ( -10.063 5.055 -3.471) 11.784 14.362 ( 10.063 5.055 -3.471) 11.784 15.978 ( -0.277 2.462 14.783) 14.989 15.978 ( 0.277 2.462 14.783) 14.989 18.372 ( -10.696 -14.805 1.026) 18.294 18.372 ( 10.696 -14.805 1.026) 18.294 20.760 ( -8.911 4.151 -6.430) 11.746 20.760 ( 8.911 4.151 -6.430) 11.746 ======================= Grid point 750 (138/189) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -3.181 -3.181 12.977) 13.734 3.786 ( 9.237 9.237 2.844) 13.369 4.720 ( -16.473 -16.473 -12.140) 26.270 5.770 ( -1.025 -1.025 0.139) 1.456 6.246 ( 1.821 1.821 15.545) 15.757 7.042 ( -4.774 -4.774 -2.884) 7.341 7.186 ( 1.785 1.785 -5.496) 6.048 8.039 ( 4.963 4.963 34.736) 35.439 8.417 ( -5.512 -5.512 -25.278) 26.453 8.823 ( 4.573 4.573 25.062) 25.883 14.559 ( -18.262 -18.262 -3.748) 26.097 15.632 ( -5.236 -5.236 12.244) 14.309 15.982 ( 1.626 1.626 15.938) 16.103 16.763 ( -0.479 -0.479 -5.441) 5.483 16.977 ( -9.186 -9.186 7.824) 15.165 18.851 ( -9.453 -9.453 -4.769) 14.194 20.163 ( 12.999 12.999 5.991) 19.335 21.038 ( 1.373 1.373 -12.859) 13.005 ======================= Grid point 751 (139/189) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -0.234 -5.131 9.326) 10.647 3.947 ( 1.622 1.615 -9.340) 9.617 4.456 ( -4.276 -5.109 -0.114) 6.663 5.649 ( -10.081 6.988 1.736) 12.389 6.293 ( 2.619 2.156 10.385) 10.925 6.864 ( -10.212 0.754 -1.348) 10.328 7.298 ( 7.326 -1.811 -9.898) 12.447 8.128 ( -2.352 -0.719 10.302) 10.591 8.342 ( 3.918 -5.545 -1.927) 7.057 8.899 ( 1.956 -0.679 25.063) 25.149 14.287 ( -7.138 -7.532 -4.309) 11.237 15.421 ( -16.464 4.030 6.701) 18.226 16.012 ( 1.198 2.401 15.583) 15.812 16.310 ( -18.550 16.106 5.228) 25.117 17.296 ( 18.031 -31.324 1.106) 36.160 18.592 ( -14.337 -14.865 -1.580) 20.713 20.431 ( 12.207 9.738 1.131) 15.656 21.044 ( -1.071 2.644 -11.104) 11.465 ======================= Grid point 752 (140/189) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 804 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 5.658 -7.696 3.583) 10.202 3.768 ( -14.115 -11.388 -9.990) 20.706 4.627 ( 16.108 11.657 2.541) 20.045 5.370 ( -15.942 11.931 0.308) 19.914 6.361 ( 4.144 2.279 7.510) 8.875 6.651 ( -9.598 1.656 1.626) 9.875 7.478 ( 9.875 -1.982 -13.650) 16.964 7.950 ( -11.254 -1.952 -14.421) 18.396 8.548 ( 11.651 -7.110 22.286) 26.133 8.889 ( -3.133 -4.461 24.738) 25.331 14.272 ( 5.766 2.579 -4.279) 7.630 14.969 ( -23.861 12.165 -0.423) 26.786 16.031 ( 0.675 3.054 15.087) 15.408 16.091 ( -4.433 6.455 11.966) 14.301 17.645 ( 15.505 -27.493 0.352) 31.566 18.277 ( -15.300 -19.132 -0.347) 24.500 20.667 ( 10.258 6.528 -2.782) 12.474 20.986 ( -4.499 3.459 -8.747) 10.426 ======================= Grid point 753 (141/189) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -11.910 -10.484 -3.134) 16.173 3.483 ( 11.910 -10.484 -3.134) 16.173 5.003 ( -18.528 13.692 0.120) 23.038 5.003 ( 18.528 13.692 0.120) 23.038 6.476 ( -6.925 2.107 4.755) 8.661 6.476 ( 6.925 2.107 4.755) 8.661 7.706 ( -11.581 -2.093 -15.800) 19.701 7.706 ( 11.581 -2.093 -15.800) 19.701 8.765 ( -8.493 -6.737 24.399) 26.699 8.765 ( 8.493 -6.737 24.399) 26.699 14.521 ( -17.485 10.070 -3.277) 20.442 14.521 ( 17.485 10.070 -3.277) 20.442 16.046 ( -0.941 3.757 14.264) 14.780 16.046 ( 0.941 3.757 14.264) 14.780 17.960 ( -14.931 -23.283 0.068) 27.659 17.960 ( 14.931 -23.283 0.068) 27.659 20.857 ( -7.732 4.499 -6.004) 10.774 20.857 ( 7.732 4.499 -6.004) 10.774 ======================= Grid point 762 (142/189) ======================= q-point: ( 0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 445 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -2.679 -2.679 7.548) 8.446 3.799 ( -13.002 -13.002 -10.134) 20.995 4.576 ( 13.782 13.782 3.665) 19.832 5.700 ( -2.184 -2.184 6.571) 7.260 6.346 ( 2.794 2.794 4.701) 6.141 6.815 ( -5.643 -5.643 -3.229) 8.609 7.318 ( 4.356 4.356 -11.613) 13.146 8.170 ( -6.012 -6.012 -25.134) 26.534 8.193 ( 2.378 2.378 31.615) 31.793 8.865 ( -2.842 -2.842 25.978) 26.287 14.238 ( 3.017 3.017 -4.712) 6.357 15.424 ( -4.354 -4.354 7.335) 9.577 16.059 ( 1.935 1.935 15.365) 15.606 16.583 ( -8.926 -8.926 9.675) 15.905 16.756 ( 0.108 0.108 -5.783) 5.785 18.235 ( -18.570 -18.570 -0.569) 26.268 20.625 ( 8.641 8.641 -1.213) 12.280 21.073 ( -0.133 -0.133 -9.530) 9.532 ======================= Grid point 763 (143/189) ======================= q-point: ( 0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 2.633 -5.699 3.981) 7.434 3.510 ( -13.326 -12.439 -4.754) 18.839 4.920 ( 17.686 15.290 2.948) 23.564 5.564 ( -10.499 5.974 6.165) 13.562 6.412 ( 3.787 2.473 2.199) 5.029 6.663 ( -7.864 -1.002 -1.721) 8.112 7.466 ( 9.220 1.555 -13.724) 16.606 7.941 ( -12.026 1.199 -15.250) 19.458 8.373 ( 10.507 -8.977 21.489) 25.550 8.769 ( -6.522 -7.046 24.695) 26.496 14.413 ( 13.418 10.742 -4.292) 17.716 15.197 ( -17.364 8.819 1.971) 19.574 16.091 ( 1.249 2.496 14.971) 15.229 16.239 ( -10.765 6.714 10.432) 16.426 17.071 ( 17.504 -24.997 -2.222) 30.597 17.836 ( -19.097 -22.201 -0.828) 29.296 20.793 ( 7.456 5.411 -3.504) 9.857 21.035 ( -3.440 1.008 -7.643) 8.442 ======================= Grid point 764 (144/189) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -8.874 -9.193 -0.247) 12.780 3.272 ( 8.874 -9.193 -0.247) 12.780 5.280 ( -15.997 12.104 4.128) 20.481 5.280 ( 15.997 12.104 4.128) 20.481 6.514 ( -6.030 1.282 0.499) 6.185 6.514 ( 6.030 1.282 0.499) 6.185 7.688 ( -11.704 0.993 -15.139) 19.161 7.688 ( 11.704 0.993 -15.139) 19.161 8.594 ( -9.922 -9.467 22.940) 26.727 8.594 ( 9.922 -9.467 22.940) 26.727 14.776 ( -20.336 13.963 -2.516) 24.796 14.776 ( 20.336 13.963 -2.516) 24.796 16.122 ( -2.296 3.211 13.869) 14.419 16.122 ( 2.296 3.211 13.869) 14.419 17.444 ( -18.214 -24.795 -1.582) 30.806 17.444 ( 18.214 -24.795 -1.582) 30.806 20.935 ( -5.936 2.806 -5.639) 8.654 20.935 ( 5.936 2.806 -5.639) 8.654 ======================= Grid point 774 (145/189) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 447 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -1.106 -1.106 2.492) 2.943 3.272 ( -9.863 -9.863 -1.607) 14.040 5.235 ( 14.123 14.123 5.522) 20.722 5.607 ( -1.937 -1.937 8.795) 9.212 6.464 ( 2.520 2.520 -0.687) 3.629 6.607 ( -3.822 -3.822 -2.628) 6.010 7.561 ( 7.407 7.407 -14.906) 18.219 7.940 ( -4.521 -4.521 -25.296) 26.091 8.249 ( 0.513 0.513 30.777) 30.786 8.594 ( -9.522 -9.522 23.682) 27.243 14.709 ( 16.920 16.920 -3.410) 24.170 15.285 ( -2.220 -2.220 2.182) 3.823 16.131 ( 1.363 1.363 14.882) 15.006 16.276 ( -5.311 -5.311 12.881) 14.911 16.768 ( 0.359 0.359 -5.876) 5.898 17.376 ( -21.106 -21.106 -2.286) 29.935 20.895 ( 4.335 4.335 -4.402) 7.547 21.028 ( -1.579 -1.579 -6.485) 6.859 ======================= Grid point 775 (146/189) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -4.828 -5.506 0.468) 7.337 3.114 ( 4.828 -5.506 0.468) 7.337 5.486 ( -9.315 7.092 8.009) 14.185 5.486 ( 9.315 7.092 8.009) 14.185 6.526 ( -3.554 -0.013 -1.845) 4.005 6.526 ( 3.554 -0.013 -1.845) 4.005 7.756 ( -10.486 5.084 -18.256) 21.658 7.756 ( 10.486 5.084 -18.256) 21.658 8.385 ( -9.724 -9.729 24.572) 28.161 8.385 ( 9.724 -9.729 24.572) 28.161 15.075 ( -16.149 13.202 -1.155) 20.890 15.075 ( 16.149 13.202 -1.155) 20.890 16.166 ( -2.850 0.642 14.213) 14.510 16.166 ( 2.850 0.642 14.213) 14.510 16.979 ( -16.056 -17.896 -4.167) 24.401 16.979 ( 16.056 -17.896 -4.167) 24.401 20.975 ( -3.287 1.143 -5.397) 6.422 20.975 ( 3.287 1.143 -5.397) 6.422 ======================= Grid point 791 (147/189) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 0.000 0.000 0.431) 0.431 3.055 ( 0.000 0.000 0.431) 0.431 5.563 ( 0.000 0.000 9.434) 9.434 5.563 ( 0.000 0.000 9.434) 9.434 6.523 ( 0.000 0.000 -2.286) 2.286 6.523 ( 0.000 0.000 -2.286) 2.286 7.836 ( 0.000 0.000 -25.447) 25.447 7.836 ( 0.000 0.000 -25.447) 25.447 8.256 ( 0.000 0.000 30.929) 30.929 8.256 ( 0.000 0.000 30.929) 30.929 15.238 ( 0.000 0.000 -0.234) 0.234 15.238 ( 0.000 0.000 -0.234) 0.234 16.162 ( 0.000 0.000 14.687) 14.687 16.162 ( 0.000 0.000 14.687) 14.687 16.777 ( 0.000 0.000 -5.869) 5.869 16.777 ( 0.000 0.000 -5.869) 5.869 20.987 ( 0.000 0.000 -5.311) 5.311 20.987 ( 0.000 0.000 -5.311) 5.311 ======================= Grid point 847 (148/189) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 0.000 0.000 11.072) 11.072 3.723 ( 0.000 0.000 11.072) 11.072 5.510 ( 0.000 0.000 -11.287) 11.287 5.510 ( 0.000 0.000 -11.287) 11.287 6.882 ( 0.000 0.000 35.071) 35.071 7.246 ( 0.000 0.000 0.461) 0.461 7.246 ( 0.000 -0.000 0.461) 0.461 8.147 ( -0.000 -0.000 -29.541) 29.541 8.258 ( 0.000 0.000 26.606) 26.606 8.651 ( 0.000 0.000 6.951) 6.951 16.158 ( -0.000 0.000 8.768) 8.768 16.158 ( -0.000 0.000 8.768) 8.768 16.731 ( 0.000 0.000 -2.629) 2.629 16.731 ( -0.000 -0.000 -2.629) 2.629 17.357 ( -0.000 0.000 12.498) 12.498 17.896 ( 0.000 0.000 -14.194) 14.194 20.051 ( 0.000 0.000 15.953) 15.953 20.692 ( -0.000 -0.000 -16.264) 16.264 ======================= Grid point 848 (149/189) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( -2.408 0.000 11.146) 11.403 3.731 ( 0.763 0.000 9.810) 9.840 5.395 ( -10.486 0.000 -10.680) 14.968 5.424 ( -7.681 0.000 -11.829) 14.104 6.848 ( -3.036 0.000 32.800) 32.940 7.190 ( -4.954 0.000 1.027) 5.060 7.244 ( -0.273 0.000 0.846) 0.888 8.111 ( -3.600 0.000 -28.915) 29.138 8.366 ( 9.740 0.000 25.948) 27.716 8.747 ( 8.545 0.000 6.812) 10.928 16.102 ( -11.462 0.000 6.823) 13.339 16.112 ( -9.045 0.000 7.066) 11.477 16.311 ( -21.698 0.000 1.291) 21.737 16.340 ( -24.199 0.000 -0.861) 24.214 17.703 ( 21.056 0.000 10.099) 23.353 18.203 ( 20.882 0.000 -14.922) 25.666 20.059 ( 1.188 0.000 16.251) 16.294 20.694 ( 0.289 0.000 -15.933) 15.936 ======================= Grid point 849 (150/189) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -4.187 0.000 10.584) 11.383 3.754 ( 1.253 0.000 5.578) 5.717 5.107 ( -15.956 0.000 -8.279) 17.976 5.221 ( -10.935 0.000 -12.725) 16.778 6.770 ( -4.040 0.000 28.219) 28.507 7.056 ( -7.468 0.000 2.340) 7.826 7.234 ( -0.593 0.000 -0.252) 0.645 7.996 ( -7.182 0.000 -27.173) 28.106 8.630 ( 14.430 0.000 24.282) 28.246 8.969 ( 11.541 0.000 7.045) 13.521 15.507 ( -33.149 0.000 -0.305) 33.151 15.527 ( -34.064 0.000 -0.835) 34.074 16.182 ( -1.148 0.000 7.587) 7.674 16.184 ( -0.951 0.000 7.605) 7.664 18.081 ( 14.453 0.000 9.428) 17.256 18.566 ( 11.878 0.000 -15.242) 19.324 20.124 ( 5.422 0.000 15.008) 15.957 20.704 ( 0.540 0.000 -14.611) 14.621 ======================= Grid point 850 (151/189) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -3.343 0.000 7.370) 8.092 3.772 ( -0.034 0.000 -2.389) 2.389 4.778 ( -13.993 0.000 -2.888) 14.288 4.989 ( -10.910 0.000 -11.677) 15.981 6.692 ( -3.171 0.000 23.391) 23.605 6.892 ( -7.880 0.000 4.625) 9.137 7.231 ( 0.754 0.000 -4.659) 4.719 7.820 ( -9.444 0.000 -25.041) 26.762 8.934 ( 13.888 0.000 21.858) 25.897 9.192 ( 9.054 0.000 8.704) 12.559 14.864 ( -26.930 0.000 -1.315) 26.962 14.871 ( -27.311 0.000 -1.089) 27.332 16.171 ( -0.170 0.000 7.897) 7.899 16.174 ( -0.136 0.000 7.775) 7.776 18.312 ( 8.010 0.000 7.517) 10.985 18.688 ( 0.630 0.000 -11.173) 11.191 20.283 ( 9.172 0.000 9.502) 13.207 20.711 ( -0.008 0.000 -11.872) 11.872 ======================= Grid point 851 (152/189) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 1.171 0.000 0.478) 1.265 3.723 ( -4.952 0.000 -10.144) 11.288 4.581 ( -3.816 0.000 2.594) 4.614 4.773 ( -9.412 0.000 -7.156) 11.823 6.645 ( -1.108 0.000 18.672) 18.705 6.743 ( -5.937 0.000 8.485) 10.356 7.282 ( 4.411 0.000 -11.429) 12.251 7.612 ( -10.003 0.000 -22.246) 24.392 9.186 ( 9.713 0.000 18.749) 21.116 9.326 ( 3.407 0.000 11.620) 12.109 14.418 ( -14.881 0.000 -1.614) 14.968 14.421 ( -14.994 0.000 -1.359) 15.056 16.171 ( 0.170 0.000 7.896) 7.898 16.174 ( 0.069 0.000 7.788) 7.789 18.441 ( 4.998 0.000 4.082) 6.453 18.639 ( -4.247 0.000 -5.439) 6.901 20.474 ( 8.376 0.000 2.738) 8.812 20.693 ( -2.026 0.000 -7.896) 8.152 ======================= Grid point 852 (153/189) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( -6.069 0.000 -7.653) 9.767 3.594 ( 6.069 0.000 -7.653) 9.767 4.610 ( -5.539 0.000 -0.485) 5.560 4.610 ( 5.539 0.000 -0.485) 5.560 6.655 ( -2.285 0.000 13.562) 13.753 6.655 ( 2.285 0.000 13.562) 13.753 7.417 ( -8.236 0.000 -17.832) 19.642 7.417 ( 8.236 0.000 -17.832) 19.642 9.326 ( -3.427 0.000 15.181) 15.563 9.326 ( 3.427 0.000 15.181) 15.563 14.261 ( -0.062 0.000 -1.574) 1.575 14.261 ( 0.062 0.000 -1.574) 1.575 16.175 ( -0.087 0.000 7.844) 7.845 16.175 ( 0.087 0.000 7.844) 7.845 18.541 ( -4.768 0.000 -0.315) 4.778 18.541 ( 4.768 0.000 -0.315) 4.778 20.618 ( -5.213 0.000 -3.045) 6.038 20.618 ( 5.213 0.000 -3.045) 6.038 ======================= Grid point 859 (154/189) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( -2.938 -2.938 10.077) 10.900 3.749 ( 1.155 1.155 9.535) 9.674 5.121 ( -15.151 -15.151 -12.044) 24.580 5.558 ( 2.084 2.084 -10.013) 10.438 6.814 ( -3.001 -3.001 30.435) 30.730 7.186 ( -2.302 -2.302 0.244) 3.264 7.196 ( -2.438 -2.438 2.271) 4.129 8.082 ( -2.975 -2.975 -28.556) 28.864 8.407 ( 4.657 4.657 24.027) 24.913 8.848 ( 8.576 8.576 8.587) 14.860 15.623 ( -32.217 -32.217 -1.309) 45.580 16.059 ( -4.523 -4.523 8.078) 10.303 16.174 ( 0.760 0.760 8.649) 8.716 16.713 ( -0.770 -0.770 -2.746) 2.954 17.417 ( -5.050 -5.050 5.833) 9.221 18.520 ( 16.905 16.905 -9.763) 25.823 20.080 ( 2.398 2.398 16.193) 16.544 20.704 ( 0.922 0.922 -15.576) 15.630 ======================= Grid point 860 (155/189) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( -4.318 -3.676 9.113) 10.734 3.776 ( 1.328 1.722 5.150) 5.590 4.808 ( -13.950 -15.297 -10.203) 23.081 5.494 ( -7.661 12.571 -9.003) 17.256 6.736 ( -4.047 -2.891 25.643) 26.120 7.062 ( -7.219 0.406 2.971) 7.817 7.189 ( 0.001 -4.021 -0.453) 4.047 7.979 ( -6.846 -1.731 -26.784) 27.699 8.579 ( 11.433 -3.005 21.190) 24.264 9.054 ( 10.055 6.556 10.271) 15.798 14.978 ( -28.163 -25.476 -1.495) 38.005 15.841 ( -20.225 4.958 4.493) 21.303 16.189 ( 0.593 1.356 8.435) 8.563 16.375 ( -15.904 17.224 1.820) 23.514 17.647 ( 16.726 -30.318 3.543) 34.807 18.743 ( 4.002 6.953 -8.270) 11.522 20.178 ( 6.969 5.190 13.858) 16.357 20.730 ( 1.355 2.329 -14.188) 14.442 ======================= Grid point 861 (156/189) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -3.343 -3.964 6.500) 8.315 3.788 ( -1.004 1.015 -3.718) 3.983 4.571 ( -7.498 -9.961 -3.463) 12.940 5.271 ( -12.804 17.065 -7.782) 22.710 6.659 ( -2.985 -2.732 20.517) 20.912 6.901 ( -7.915 0.522 5.775) 9.812 7.202 ( 1.522 -2.639 -5.143) 5.978 7.806 ( -9.342 -1.219 -24.398) 26.153 8.851 ( 13.541 -6.439 18.912) 24.135 9.237 ( 6.882 3.004 11.560) 13.785 14.485 ( -18.073 -16.143 -1.714) 24.294 15.255 ( -30.716 16.341 -0.013) 34.792 16.197 ( 0.067 2.108 8.130) 8.399 16.216 ( -2.364 4.627 6.413) 8.253 17.961 ( 12.692 -27.031 2.608) 29.976 18.716 ( -5.469 -2.399 -5.431) 8.072 20.353 ( 9.062 5.992 8.199) 13.610 20.752 ( 0.527 3.574 -11.375) 11.935 ======================= Grid point 862 (157/189) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 1.092 -4.142 1.140) 4.433 3.703 ( -6.907 -2.479 -9.421) 11.942 4.538 ( 4.356 0.670 1.598) 4.688 4.987 ( -13.743 15.508 -5.169) 21.356 6.621 ( -0.486 -2.036 16.061) 16.197 6.747 ( -6.387 0.090 8.940) 10.988 7.266 ( 4.827 -1.457 -11.335) 12.406 7.600 ( -9.944 -1.058 -21.473) 23.687 9.113 ( 10.808 -6.225 16.978) 21.067 9.325 ( 1.255 -0.750 13.145) 13.226 14.246 ( -4.275 -5.421 -1.789) 7.132 14.673 ( -23.374 13.183 -1.183) 26.862 16.192 ( 0.060 2.251 7.475) 7.807 16.203 ( -0.094 2.338 7.833) 8.175 18.187 ( 9.417 -21.090 1.405) 23.140 18.559 ( -8.635 -9.241 -2.615) 12.915 20.534 ( 7.789 4.986 2.133) 9.491 20.741 ( -1.857 4.110 -7.493) 8.746 ======================= Grid point 863 (158/189) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( -6.412 -4.154 -5.526) 9.429 3.549 ( 6.412 -4.154 -5.526) 9.429 4.716 ( -11.548 9.820 -1.147) 15.203 4.716 ( 11.548 9.820 -1.147) 15.203 6.646 ( -3.009 -0.886 12.353) 12.745 6.646 ( 3.009 -0.886 12.353) 12.745 7.405 ( -8.278 -1.033 -17.193) 19.110 7.405 ( 8.278 -1.033 -17.193) 19.110 9.284 ( -5.223 -4.009 15.033) 16.411 9.284 ( 5.223 -4.009 15.033) 16.411 14.312 ( -10.498 4.992 -1.641) 11.740 14.312 ( 10.498 4.992 -1.641) 11.740 16.198 ( -0.381 2.166 7.728) 8.035 16.198 ( 0.381 2.166 7.728) 8.035 18.375 ( -8.793 -15.123 -0.361) 17.497 18.375 ( 8.793 -15.123 -0.361) 17.497 20.669 ( -5.000 4.308 -3.036) 7.265 20.669 ( 5.000 4.308 -3.036) 7.265 ======================= Grid point 871 (159/189) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -5.063 -5.063 7.561) 10.413 3.811 ( 1.054 1.054 -0.007) 1.490 4.542 ( -9.267 -9.267 -5.945) 14.392 5.658 ( 2.350 2.350 -6.721) 7.498 6.664 ( -3.718 -3.718 20.768) 21.423 7.042 ( -4.782 -4.782 4.715) 8.245 7.107 ( -0.962 -0.962 -2.707) 3.030 7.914 ( -4.874 -4.874 -26.194) 27.085 8.571 ( 3.171 3.171 19.221) 19.737 9.192 ( 5.903 5.903 12.608) 15.121 14.504 ( -18.749 -18.749 -1.871) 26.581 15.810 ( -6.855 -6.855 6.082) 11.444 16.220 ( 1.423 1.423 8.399) 8.637 16.680 ( -0.654 -0.654 -3.034) 3.172 17.101 ( -8.968 -8.968 4.608) 13.494 18.749 ( -5.792 -5.792 -4.642) 9.415 20.326 ( 8.222 8.222 10.135) 15.425 20.790 ( 3.019 3.019 -12.604) 13.308 ======================= Grid point 872 (160/189) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -3.862 -5.953 5.465) 8.956 3.775 ( -5.445 -3.415 -7.148) 9.613 4.471 ( 3.504 1.559 1.043) 3.975 5.590 ( -8.362 12.088 -4.665) 15.421 6.594 ( -2.569 -3.203 15.641) 16.171 6.895 ( -7.894 -1.663 5.988) 10.046 7.138 ( 3.025 -2.601 -5.943) 7.158 7.770 ( -8.550 -2.359 -23.789) 25.389 8.717 ( 10.122 -5.277 17.251) 20.685 9.281 ( 2.299 0.819 13.527) 13.746 14.225 ( -7.355 -8.018 -2.126) 11.087 15.507 ( -22.720 7.024 2.482) 23.910 16.245 ( 0.888 2.293 8.217) 8.577 16.391 ( -11.610 11.981 2.877) 16.929 17.321 ( 16.283 -32.006 1.210) 35.931 18.546 ( -12.530 -12.938 -2.433) 18.174 20.497 ( 7.847 7.060 5.238) 11.783 20.840 ( 1.394 4.180 -9.721) 10.673 ======================= Grid point 873 (161/189) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( 0.651 -6.775 1.982) 7.089 3.603 ( -9.527 -6.984 -6.431) 13.450 4.667 ( 13.794 11.427 1.462) 17.972 5.338 ( -14.882 16.829 -2.515) 22.605 6.570 ( 0.436 -2.684 11.449) 11.768 6.734 ( -6.985 -1.477 7.557) 10.396 7.229 ( 5.766 -1.674 -10.812) 12.367 7.574 ( -9.729 -1.379 -20.207) 22.470 8.953 ( 11.399 -8.485 15.679) 21.161 9.278 ( -2.805 -3.914 14.104) 14.903 14.210 ( 6.053 2.277 -2.117) 6.805 14.957 ( -26.654 13.558 -0.585) 29.910 16.255 ( 0.114 3.120 7.827) 8.427 16.272 ( -1.701 4.620 6.402) 8.076 17.648 ( 14.882 -28.805 0.085) 32.422 18.257 ( -14.486 -18.662 -1.244) 23.658 20.650 ( 6.608 5.504 0.725) 8.631 20.837 ( -1.714 4.475 -6.385) 7.983 ======================= Grid point 874 (162/189) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -6.525 -7.362 -2.348) 10.114 3.426 ( 6.525 -7.362 -2.348) 10.114 4.998 ( -16.837 16.317 -0.478) 23.451 4.998 ( 16.837 16.317 -0.478) 23.451 6.616 ( -4.043 -1.972 8.995) 10.057 6.616 ( 4.043 -1.972 8.995) 10.057 7.380 ( -8.450 -1.220 -15.807) 17.966 7.380 ( 8.450 -1.220 -15.807) 17.966 9.163 ( -8.073 -7.408 14.745) 18.371 9.163 ( 8.073 -7.408 14.745) 18.371 14.472 ( -18.537 10.241 -1.706) 21.247 14.472 ( 18.537 10.241 -1.706) 21.247 16.258 ( -0.317 3.341 7.438) 8.160 16.258 ( 0.317 3.341 7.438) 8.160 17.953 ( -14.448 -23.950 -0.553) 27.976 17.953 ( 14.448 -23.950 -0.553) 27.976 20.769 ( -4.654 4.665 -3.018) 7.248 20.769 ( 4.654 4.665 -3.018) 7.248 ======================= Grid point 883 (163/189) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -5.029 -5.029 3.952) 8.136 3.634 ( -9.285 -9.285 -6.287) 14.558 4.639 ( 13.457 13.457 2.538) 19.199 5.736 ( 1.320 1.320 -1.187) 2.213 6.535 ( -2.147 -2.147 10.754) 11.174 6.814 ( -5.796 -5.796 4.952) 9.577 7.130 ( 2.106 2.106 -7.008) 7.615 7.692 ( -5.454 -5.454 -23.431) 24.668 8.671 ( 1.632 1.632 17.033) 17.188 9.262 ( -2.804 -2.804 14.153) 14.698 14.169 ( 2.933 2.933 -2.375) 4.779 15.525 ( -6.327 -6.327 3.224) 9.511 16.288 ( 1.711 1.711 8.073) 8.428 16.667 ( 0.040 0.040 -3.242) 3.242 16.733 ( -7.944 -7.944 5.464) 12.492 18.213 ( -18.088 -18.088 -1.289) 25.613 20.635 ( 6.072 6.072 1.994) 8.815 20.906 ( 1.795 1.795 -7.358) 7.784 ======================= Grid point 884 (164/189) ======================= q-point: ( 0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 800 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -0.574 -6.654 1.587) 6.865 3.425 ( -9.819 -9.547 -3.549) 14.147 4.984 ( 18.262 17.770 3.003) 25.657 5.644 ( -9.649 11.308 2.041) 15.005 6.517 ( 0.612 -2.169 6.572) 6.948 6.679 ( -6.399 -3.726 4.498) 8.664 7.216 ( 5.766 0.759 -10.410) 11.925 7.542 ( -8.418 -1.815 -20.367) 22.113 8.785 ( 8.458 -6.686 15.841) 19.162 9.161 ( -6.823 -7.158 14.361) 17.437 14.349 ( 14.034 10.924 -2.244) 17.925 15.217 ( -21.523 10.234 0.427) 23.836 16.314 ( 0.803 2.401 7.823) 8.223 16.391 ( -6.808 6.355 5.057) 10.597 17.044 ( 17.169 -27.032 -0.655) 32.030 17.815 ( -19.332 -22.706 -1.042) 29.839 20.753 ( 5.200 4.352 -0.737) 6.821 20.909 ( -1.478 2.115 -5.094) 5.711 ======================= Grid point 885 (165/189) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -5.625 -8.356 -1.028) 10.125 3.256 ( 5.625 -8.356 -1.028) 10.125 5.360 ( -16.676 17.151 3.433) 24.167 5.360 ( 16.676 17.151 3.433) 24.167 6.566 ( -4.076 -2.698 4.541) 6.672 6.566 ( 4.076 -2.698 4.541) 6.672 7.364 ( -8.124 -0.130 -15.350) 17.368 7.364 ( 8.124 -0.130 -15.350) 17.368 8.984 ( -9.641 -9.211 14.768) 19.897 8.984 ( 9.641 -9.211 14.768) 19.897 14.736 ( -22.128 14.641 -1.500) 26.576 14.736 ( 22.128 14.641 -1.500) 26.576 16.328 ( -0.916 3.066 7.163) 7.846 16.328 ( 0.916 3.066 7.163) 7.846 17.417 ( -18.472 -26.098 -1.083) 31.992 17.417 ( 18.472 -26.098 -1.083) 31.992 20.850 ( -3.910 2.942 -2.989) 5.734 20.850 ( 3.910 2.942 -2.989) 5.734 ======================= Grid point 895 (166/189) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -2.847 -2.847 0.196) 4.031 3.230 ( -8.371 -8.371 -2.148) 12.032 5.365 ( 17.475 17.475 6.598) 25.580 5.775 ( 0.666 0.666 7.052) 7.114 6.489 ( -0.259 -0.259 2.393) 2.421 6.590 ( -4.407 -4.407 1.817) 6.491 7.268 ( 4.094 4.094 -12.596) 13.863 7.484 ( -4.054 -4.054 -20.581) 21.365 8.712 ( 0.427 0.427 16.379) 16.390 8.986 ( -9.165 -9.165 14.665) 19.572 14.656 ( 17.871 17.871 -1.912) 25.345 15.310 ( -3.664 -3.664 0.648) 5.221 16.352 ( 1.207 1.207 7.724) 7.910 16.471 ( -4.343 -4.343 6.892) 9.232 16.678 ( 0.371 0.371 -3.235) 3.278 17.337 ( -22.230 -22.230 -1.530) 31.476 20.833 ( 3.337 3.337 -1.931) 5.098 20.924 ( -0.534 -0.534 -3.963) 4.034 ======================= Grid point 896 (167/189) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -3.359 -5.768 -1.188) 6.780 3.101 ( 3.359 -5.768 -1.188) 6.780 5.669 ( -10.505 11.195 9.125) 17.859 5.669 ( 10.505 11.195 9.125) 17.859 6.513 ( -2.592 -2.111 0.561) 3.389 6.513 ( 2.592 -2.111 0.561) 3.389 7.376 ( -5.756 1.091 -17.248) 18.216 7.376 ( 5.756 1.091 -17.248) 18.216 8.803 ( -7.493 -7.277 15.558) 18.739 8.803 ( 7.493 -7.277 15.558) 18.739 15.054 ( -18.270 14.235 -0.894) 23.179 15.054 ( 18.270 14.235 -0.894) 23.179 16.376 ( -1.835 1.185 7.272) 7.593 16.376 ( 1.835 1.185 7.272) 7.593 16.916 ( -17.167 -19.893 -2.227) 26.370 16.916 ( 17.167 -19.893 -2.227) 26.370 20.893 ( -2.298 1.225 -2.953) 3.937 20.893 ( 2.298 1.225 -2.953) 3.937 ======================= Grid point 912 (168/189) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 0.000 0.000 -1.473) 1.473 3.038 ( 0.000 0.000 -1.473) 1.473 5.792 ( 0.000 0.000 12.249) 12.249 5.792 ( 0.000 0.000 12.249) 12.249 6.489 ( 0.000 0.000 -1.243) 1.243 6.489 ( 0.000 0.000 -1.243) 1.243 7.392 ( 0.000 0.000 -19.003) 19.003 7.392 ( 0.000 0.000 -19.003) 19.003 8.719 ( 0.000 0.000 16.304) 16.304 8.719 ( 0.000 0.000 16.304) 16.304 15.231 ( 0.000 0.000 -0.377) 0.377 15.231 ( 0.000 0.000 -0.377) 0.377 16.379 ( 0.000 0.000 7.575) 7.575 16.379 ( 0.000 0.000 7.575) 7.575 16.687 ( 0.000 0.000 -3.199) 3.199 16.687 ( 0.000 0.000 -3.199) 3.199 20.905 ( 0.000 0.000 -2.936) 2.936 20.905 ( 0.000 0.000 -2.936) 2.936 ======================= Grid point 968 (169/189) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 -0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.252 ( -0.000 -0.000 0.000) 0.000 7.542 ( 0.000 -0.000 -32.672) 32.672 7.542 ( -0.000 -0.000 32.672) 32.672 8.619 ( 0.000 0.000 -10.259) 10.259 8.619 ( 0.000 0.000 10.259) 10.259 16.244 ( 0.000 0.000 0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.705 ( 0.000 0.000 0.000) 0.000 16.705 ( 0.000 0.000 0.000) 0.000 17.618 ( 0.000 0.000 -14.113) 14.113 17.618 ( -0.000 0.000 14.114) 14.114 20.370 ( 0.000 0.000 -16.683) 16.683 20.370 ( 0.000 0.000 16.683) 16.683 ======================= Grid point 970 (170/189) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( -1.437 0.000 -0.552) 1.539 3.823 ( -1.437 0.000 0.552) 1.539 5.292 ( -8.994 0.000 -0.089) 8.994 5.292 ( -8.994 0.000 0.089) 8.994 7.199 ( -4.597 0.000 -0.658) 4.644 7.199 ( -4.597 0.000 0.658) 4.644 7.527 ( -1.707 0.000 -30.196) 30.245 7.527 ( -1.707 0.000 30.196) 30.245 8.717 ( 8.843 0.000 -9.085) 12.678 8.717 ( 8.843 0.000 9.085) 12.678 16.167 ( -17.516 0.000 -0.060) 17.516 16.167 ( -17.516 0.000 0.060) 17.516 16.335 ( -15.556 0.000 -0.018) 15.556 16.335 ( -15.556 0.000 0.018) 15.556 17.929 ( 20.427 0.000 -7.700) 21.830 17.929 ( 20.427 0.000 7.700) 21.830 20.379 ( 0.941 0.000 -16.458) 16.485 20.379 ( 0.941 0.000 16.458) 16.485 ======================= Grid point 972 (171/189) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( -3.412 0.000 -3.127) 4.628 3.773 ( -3.412 0.000 3.127) 4.628 5.055 ( -12.500 0.000 -0.918) 12.534 5.055 ( -12.500 0.000 0.918) 12.534 7.082 ( -6.107 0.000 -0.823) 6.162 7.082 ( -6.107 0.000 0.823) 6.162 7.462 ( -4.442 0.000 -25.689) 26.070 7.462 ( -4.442 0.000 25.689) 26.070 8.954 ( 12.728 0.000 -7.283) 14.664 8.954 ( 12.728 0.000 7.283) 14.664 15.511 ( -34.033 0.000 -0.028) 34.033 15.511 ( -34.033 0.000 0.028) 34.033 16.258 ( -0.781 0.000 -0.008) 0.781 16.258 ( -0.781 0.000 0.008) 0.781 18.294 ( 13.291 0.000 -7.641) 15.331 18.294 ( 13.291 0.000 7.641) 15.331 20.416 ( 2.686 0.000 -14.978) 15.217 20.416 ( 2.686 0.000 14.978) 15.217 ======================= Grid point 974 (172/189) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -5.340 0.000 -6.015) 8.043 3.679 ( -5.340 0.000 6.015) 8.043 4.811 ( -10.008 0.000 -2.847) 10.405 4.811 ( -10.008 0.000 2.847) 10.405 6.960 ( -5.099 0.000 -0.007) 5.099 6.960 ( -5.099 0.000 0.007) 5.099 7.349 ( -6.011 0.000 -20.320) 21.190 7.349 ( -6.011 0.000 20.320) 21.190 9.214 ( 11.376 0.000 -5.327) 12.561 9.214 ( 11.376 0.000 5.327) 12.561 14.856 ( -27.287 0.000 -0.008) 27.287 14.856 ( -27.287 0.000 0.008) 27.287 16.249 ( -0.149 0.000 -0.042) 0.155 16.249 ( -0.149 0.000 0.042) 0.155 18.480 ( 4.944 0.000 -6.538) 8.197 18.480 ( 4.944 0.000 6.538) 8.197 20.487 ( 3.817 0.000 -11.153) 11.788 20.487 ( 3.817 0.000 11.153) 11.788 ======================= Grid point 976 (173/189) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -4.542 0.000 -5.159) 6.874 3.568 ( -4.542 0.000 5.159) 6.874 4.654 ( -4.870 0.000 -3.059) 5.750 4.654 ( -4.870 0.000 3.059) 5.750 6.880 ( -2.451 0.000 -0.798) 2.578 6.880 ( -2.451 0.000 0.798) 2.578 7.230 ( -4.774 0.000 -12.456) 13.339 7.230 ( -4.774 0.000 12.456) 13.339 9.406 ( 6.549 0.000 -2.869) 7.150 9.406 ( 6.549 0.000 2.869) 7.150 14.405 ( -15.012 0.000 -0.004) 15.012 14.405 ( -15.012 0.000 0.004) 15.012 16.250 ( 0.118 0.000 -0.026) 0.121 16.250 ( 0.118 0.000 0.026) 0.121 18.532 ( 0.739 0.000 -3.663) 3.736 18.532 ( 0.739 0.000 3.663) 3.736 20.559 ( 2.714 0.000 -5.736) 6.346 20.559 ( 2.714 0.000 5.736) 6.346 ======================= Grid point 978 (174/189) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 14.246 ( 0.000 0.000 0.000) 0.000 14.246 ( 0.000 0.000 0.000) 0.000 16.251 ( 0.000 0.000 0.000) 0.000 16.251 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 992 (175/189) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -3.425 -3.425 0.000) 4.843 3.849 ( 0.235 0.235 0.000) 0.332 4.994 ( -15.163 -15.163 0.000) 21.444 5.453 ( 2.673 2.673 0.000) 3.780 7.114 ( -5.600 -5.600 0.000) 7.920 7.189 ( -2.621 -2.621 0.000) 3.706 7.469 ( -3.419 -3.419 0.000) 4.836 7.552 ( -0.193 -0.193 -0.000) 0.273 8.666 ( 2.005 2.005 0.000) 2.835 8.909 ( 10.980 10.980 0.000) 15.529 15.610 ( -32.285 -32.285 0.000) 45.658 16.137 ( -4.850 -4.850 0.000) 6.859 16.258 ( 0.713 0.713 0.000) 1.008 16.686 ( -0.827 -0.827 0.000) 1.169 17.480 ( -6.206 -6.206 0.000) 8.777 18.417 ( 18.069 18.069 0.000) 25.553 20.384 ( 1.643 1.643 0.000) 2.323 20.407 ( 1.756 1.756 -0.000) 2.483 ======================= Grid point 994 (176/189) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -4.617 -5.083 0.000) 6.867 3.825 ( -2.724 1.038 0.000) 2.915 4.704 ( -11.536 -14.536 0.000) 18.557 5.400 ( -7.252 13.779 0.000) 15.571 6.983 ( -6.468 -5.827 0.000) 8.705 7.112 ( -4.349 -0.414 0.000) 4.369 7.374 ( -5.591 -4.597 0.000) 7.238 7.513 ( -3.521 0.998 -0.000) 3.659 8.798 ( 9.941 -5.269 0.000) 11.251 9.146 ( 10.998 8.980 0.000) 14.198 14.963 ( -28.266 -25.674 0.000) 38.185 15.881 ( -23.561 7.555 0.000) 24.743 16.272 ( 0.493 1.423 0.000) 1.506 16.395 ( -12.346 13.862 0.000) 18.563 17.686 ( 16.076 -31.667 0.000) 35.514 18.657 ( 4.969 9.484 0.000) 10.707 20.452 ( 2.588 2.602 0.000) 3.670 20.453 ( 4.753 4.231 -0.000) 6.363 ======================= Grid point 996 (177/189) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( -5.048 -5.690 0.000) 7.607 3.733 ( -5.876 0.753 0.000) 5.924 4.542 ( -3.549 -8.463 0.000) 9.177 5.188 ( -11.952 18.541 0.000) 22.059 6.862 ( -4.667 -5.541 0.000) 7.244 7.015 ( -4.804 1.621 0.000) 5.070 7.250 ( -5.648 -5.390 0.000) 7.807 7.411 ( -5.953 1.788 -0.000) 6.216 9.043 ( 12.450 -8.343 0.000) 14.987 9.347 ( 7.681 4.909 0.000) 9.116 14.468 ( -18.144 -16.345 0.000) 24.421 15.254 ( -31.563 17.176 0.000) 35.934 16.276 ( -1.837 3.593 0.000) 4.035 16.279 ( 0.209 2.064 -0.000) 2.075 17.989 ( 12.203 -28.862 0.000) 31.336 18.656 ( -4.026 0.135 0.000) 4.028 20.516 ( 3.471 2.920 -0.000) 4.536 20.560 ( 4.807 6.000 0.000) 7.688 ======================= Grid point 998 (178/189) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -2.392 -4.622 0.000) 5.204 3.597 ( -6.462 -0.491 -0.000) 6.480 4.554 ( 4.324 0.399 0.000) 4.342 4.932 ( -11.964 16.431 0.000) 20.326 6.802 ( -0.904 -4.661 0.000) 4.748 6.912 ( -4.890 0.278 0.000) 4.898 7.166 ( -1.870 -3.099 0.000) 3.620 7.280 ( -6.028 1.807 -0.000) 6.293 9.283 ( 9.786 -7.393 0.000) 12.264 9.453 ( 2.204 0.248 0.000) 2.218 14.229 ( -4.260 -5.582 0.000) 7.022 14.662 ( -23.671 13.347 0.000) 27.175 16.265 ( 0.226 1.989 0.000) 2.001 16.280 ( -0.117 2.252 0.000) 2.255 18.202 ( 8.607 -22.312 0.000) 23.914 18.529 ( -7.334 -7.871 0.000) 10.758 20.589 ( 3.264 3.276 -0.000) 4.624 20.634 ( 1.963 5.627 0.000) 5.959 ======================= Grid point 1000 (179/189) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( -2.806 -2.491 0.000) 3.752 3.493 ( 2.806 -2.491 0.000) 3.752 4.704 ( -9.446 9.503 0.000) 13.399 4.704 ( 9.446 9.503 0.000) 13.399 6.825 ( -2.976 -2.826 0.000) 4.103 6.825 ( 2.976 -2.826 0.000) 4.103 7.180 ( -3.061 0.353 0.000) 3.081 7.180 ( 3.061 0.353 0.000) 3.081 9.432 ( -4.186 -4.122 0.000) 5.875 9.432 ( 4.186 -4.122 0.000) 5.875 14.297 ( -10.621 4.932 0.000) 11.710 14.297 ( 10.621 4.932 0.000) 11.710 16.274 ( -0.474 2.060 0.000) 2.114 16.274 ( 0.474 2.060 0.000) 2.114 18.369 ( -7.708 -15.146 0.000) 16.994 18.369 ( 7.708 -15.146 0.000) 16.994 20.640 ( -1.276 4.297 0.000) 4.483 20.640 ( 1.276 4.297 0.000) 4.483 ======================= Grid point 1016 (180/189) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( -5.830 -5.830 0.000) 8.244 3.806 ( -2.956 -2.956 0.000) 4.180 4.486 ( -5.608 -5.608 0.000) 7.931 5.586 ( 3.308 3.308 0.000) 4.678 6.852 ( -6.281 -6.281 0.000) 8.882 7.080 ( -1.950 -1.950 0.000) 2.757 7.265 ( -6.130 -6.130 0.000) 8.669 7.499 ( -2.286 -2.286 -0.000) 3.233 8.762 ( 2.272 2.272 0.000) 3.213 9.313 ( 6.660 6.660 0.000) 9.418 14.486 ( -18.900 -18.900 0.000) 26.729 15.869 ( -7.466 -7.466 0.000) 10.559 16.303 ( 1.364 1.364 0.000) 1.930 16.650 ( -0.733 -0.733 0.000) 1.037 17.147 ( -8.964 -8.964 0.000) 12.677 18.700 ( -4.439 -4.439 0.000) 6.277 20.515 ( 3.309 3.309 0.000) 4.680 20.578 ( 6.855 6.855 0.000) 9.694 ======================= Grid point 1018 (181/189) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -5.162 -6.670 0.000) 8.434 3.701 ( -6.926 -3.966 0.000) 7.981 4.483 ( 5.186 3.102 0.000) 6.043 5.537 ( -7.363 13.599 0.000) 15.464 6.738 ( -4.190 -5.981 0.000) 7.303 7.034 ( -3.916 0.307 0.000) 3.928 7.129 ( -4.985 -6.068 0.000) 7.853 7.421 ( -5.024 -0.878 -0.000) 5.100 8.889 ( 9.232 -5.599 0.000) 10.797 9.414 ( 2.657 1.380 0.000) 2.994 14.204 ( -7.422 -8.191 0.000) 11.053 15.529 ( -24.815 8.176 0.000) 26.127 16.326 ( 0.820 2.233 0.000) 2.379 16.418 ( -9.041 10.010 0.000) 13.488 17.334 ( 15.334 -31.908 0.000) 35.401 18.519 ( -11.733 -12.010 0.000) 16.790 20.589 ( 3.823 3.821 -0.000) 5.405 20.705 ( 4.640 6.852 0.000) 8.275 ======================= Grid point 1020 (182/189) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -1.345 -6.794 0.000) 6.926 3.537 ( -7.917 -5.204 0.000) 9.474 4.681 ( 13.013 11.632 0.000) 17.454 5.309 ( -13.719 18.534 0.000) 23.059 6.692 ( 0.009 -5.606 0.000) 5.606 6.884 ( -8.134 -3.055 0.000) 8.689 7.114 ( 2.024 -1.498 0.000) 2.518 7.302 ( -5.958 0.191 0.000) 5.961 9.109 ( 10.807 -8.757 0.000) 13.910 9.417 ( -2.488 -3.666 0.000) 4.430 14.190 ( 6.135 2.139 0.000) 6.497 14.951 ( -27.430 13.923 0.000) 30.762 16.331 ( -0.998 4.261 0.000) 4.376 16.336 ( 0.085 2.826 -0.000) 2.827 17.649 ( 14.479 -29.169 0.000) 32.565 18.243 ( -14.041 -18.296 0.000) 23.063 20.671 ( 3.829 4.104 -0.000) 5.613 20.761 ( 0.688 5.722 0.000) 5.764 ======================= Grid point 1022 (183/189) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -4.340 -6.234 0.000) 7.596 3.402 ( 4.340 -6.234 0.000) 7.596 4.992 ( -15.776 17.444 0.000) 23.520 4.992 ( 15.776 17.444 0.000) 23.520 6.743 ( -4.856 -4.813 0.000) 6.837 6.743 ( 4.856 -4.813 0.000) 6.837 7.187 ( -4.711 0.233 0.000) 4.716 7.187 ( 4.711 0.233 0.000) 4.716 9.309 ( -7.679 -7.496 0.000) 10.731 9.309 ( 7.679 -7.496 0.000) 10.731 14.455 ( -18.839 10.238 0.000) 21.441 14.455 ( 18.839 10.238 0.000) 21.441 16.331 ( -0.403 3.184 0.000) 3.209 16.331 ( 0.403 3.184 0.000) 3.209 17.947 ( -14.123 -24.069 0.000) 27.906 17.947 ( 14.123 -24.069 0.000) 27.906 20.740 ( -2.428 4.658 0.000) 5.253 20.740 ( 2.428 4.658 0.000) 5.253 ======================= Grid point 1040 (184/189) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -6.009 -6.009 0.000) 8.498 3.571 ( -8.064 -8.064 0.000) 11.404 4.665 ( 13.684 13.684 0.000) 19.353 5.717 ( 2.985 2.985 0.000) 4.221 6.627 ( -4.170 -4.170 0.000) 5.897 6.971 ( -7.669 -7.669 0.000) 10.846 7.060 ( 1.022 1.022 0.000) 1.445 7.375 ( -3.399 -3.399 0.000) 4.806 8.839 ( 1.327 1.327 0.000) 1.876 9.401 ( -2.627 -2.627 0.000) 3.714 14.146 ( 2.882 2.882 0.000) 4.076 15.555 ( -7.019 -7.019 0.000) 9.927 16.367 ( 1.623 1.623 0.000) 2.295 16.634 ( 0.021 0.021 0.000) 0.029 16.788 ( -7.632 -7.632 0.000) 10.793 18.198 ( -17.771 -17.771 0.000) 25.132 20.671 ( 3.903 3.903 0.000) 5.519 20.818 ( 3.629 3.629 0.000) 5.133 ======================= Grid point 1042 (185/189) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -1.842 -7.207 0.000) 7.438 3.388 ( -8.604 -8.585 0.000) 12.155 5.016 ( 18.643 19.315 0.000) 26.845 5.660 ( -8.138 13.818 0.000) 16.037 6.579 ( -0.085 -4.757 0.000) 4.757 6.789 ( -8.904 -5.767 0.000) 10.609 7.107 ( 3.165 0.660 0.000) 3.233 7.287 ( -4.717 -1.552 0.000) 4.966 8.942 ( 7.854 -6.421 0.000) 10.145 9.303 ( -6.680 -7.056 0.000) 9.716 14.327 ( 14.206 10.943 0.000) 17.932 15.220 ( -22.813 10.699 0.000) 25.197 16.391 ( 0.632 2.321 0.000) 2.406 16.438 ( -5.071 5.856 0.000) 7.746 17.039 ( 16.518 -27.312 0.000) 31.918 17.804 ( -19.303 -22.766 0.000) 29.848 20.751 ( 3.726 3.467 0.000) 5.089 20.854 ( -0.157 2.927 0.000) 2.931 ======================= Grid point 1044 (186/189) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -4.405 -8.226 0.000) 9.332 3.245 ( 4.405 -8.226 0.000) 9.332 5.396 ( -16.378 19.897 0.000) 25.771 5.396 ( 16.378 19.897 0.000) 25.771 6.633 ( -5.288 -5.395 0.000) 7.555 6.633 ( 5.288 -5.395 0.000) 7.555 7.188 ( -4.478 -0.075 0.000) 4.479 7.188 ( 4.478 -0.075 0.000) 4.479 9.131 ( -9.296 -9.039 0.000) 12.966 9.131 ( 9.296 -9.039 0.000) 12.966 14.721 ( -22.659 14.817 0.000) 27.073 14.721 ( 22.659 14.817 0.000) 27.073 16.398 ( -0.318 2.978 0.000) 2.995 16.398 ( 0.318 2.978 0.000) 2.995 17.406 ( -18.406 -26.436 0.000) 32.212 17.406 ( 18.406 -26.436 0.000) 32.212 20.821 ( -2.690 2.948 0.000) 3.991 20.821 ( 2.690 2.948 0.000) 3.991 ======================= Grid point 1064 (187/189) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -3.617 -3.617 0.000) 5.116 3.206 ( -7.950 -7.950 0.000) 11.243 5.439 ( 19.610 19.610 0.000) 27.733 5.846 ( 3.179 3.179 0.000) 4.495 6.508 ( -1.637 -1.637 0.000) 2.316 6.653 ( -6.959 -6.959 0.000) 9.841 7.135 ( 1.976 1.976 0.000) 2.794 7.242 ( -2.593 -2.593 0.000) 3.666 8.873 ( 0.366 0.366 0.000) 0.517 9.131 ( -8.897 -8.897 0.000) 12.582 14.637 ( 18.152 18.152 0.000) 25.671 15.315 ( -4.112 -4.112 0.000) 5.815 16.428 ( 1.131 1.131 0.000) 1.600 16.538 ( -4.067 -4.067 0.000) 5.751 16.646 ( 0.392 0.392 0.000) 0.555 17.322 ( -22.543 -22.543 0.000) 31.881 20.816 ( 2.713 2.713 0.000) 3.837 20.884 ( 0.065 0.065 0.000) 0.093 ======================= Grid point 1066 (188/189) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -2.819 -6.012 0.000) 6.640 3.087 ( 2.819 -6.012 0.000) 6.640 5.771 ( -10.503 14.465 0.000) 17.876 5.771 ( 10.503 14.465 0.000) 17.876 6.529 ( -3.862 -4.282 0.000) 5.766 6.529 ( 3.862 -4.282 0.000) 5.766 7.185 ( -2.659 -0.155 0.000) 2.663 7.185 ( 2.659 -0.155 0.000) 2.663 8.956 ( -7.007 -6.828 0.000) 9.784 8.956 ( 7.007 -6.828 0.000) 9.784 15.044 ( -18.935 14.578 0.000) 23.897 15.044 ( 18.935 14.578 0.000) 23.897 16.446 ( -1.332 1.391 0.000) 1.926 16.446 ( 1.332 1.391 0.000) 1.926 16.894 ( -17.357 -20.580 0.000) 26.922 16.894 ( 17.357 -20.580 0.000) 26.922 20.864 ( -1.752 1.235 0.000) 2.143 20.864 ( 1.752 1.235 0.000) 2.143 ======================= Grid point 1098 (189/189) ======================= 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 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 15.227 ( 0.000 0.000 0.000) 0.000 15.227 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.656 ( 0.000 0.000 0.000) 0.000 16.656 ( 0.000 0.000 0.000) 0.000 20.876 ( 0.000 0.000 0.000) 0.000 20.876 ( 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 3/28800 10.0 914.946 914.946 2619.217 -0.000 -0.000 0.000 3/28800 20.0 1417.758 1417.758 1731.704 -0.000 -0.000 0.000 3/28800 30.0 843.812 843.812 864.505 -0.000 -0.000 0.000 3/28800 40.0 497.838 497.838 529.725 -0.000 0.000 0.000 3/28800 50.0 335.808 335.808 368.101 -0.000 0.000 0.000 3/28800 60.0 251.652 251.652 284.939 -0.000 0.000 0.000 3/28800 70.0 201.671 201.671 237.614 -0.000 0.000 0.000 3/28800 80.0 168.636 168.636 207.062 -0.000 0.000 0.000 3/28800 90.0 144.987 144.987 184.915 -0.000 0.000 0.000 3/28800 100.0 127.036 127.036 167.419 -0.000 0.000 0.000 3/28800 110.0 112.823 112.823 152.832 -0.000 0.000 0.000 3/28800 120.0 101.227 101.227 140.293 -0.000 0.000 0.000 3/28800 130.0 91.565 91.565 129.340 -0.000 0.000 0.000 3/28800 140.0 83.391 83.391 119.689 -0.000 0.000 0.000 3/28800 150.0 76.395 76.395 111.143 -0.000 0.000 0.000 3/28800 160.0 70.356 70.356 103.552 -0.000 0.000 0.000 3/28800 170.0 65.104 65.104 96.789 -0.000 0.000 0.000 3/28800 180.0 60.507 60.507 90.748 -0.000 0.000 0.000 3/28800 190.0 56.462 56.462 85.337 -0.000 0.000 0.000 3/28800 200.0 52.883 52.883 80.476 -0.000 0.000 0.000 3/28800 210.0 49.702 49.702 76.096 -0.000 0.000 0.000 3/28800 220.0 46.860 46.860 72.137 -0.000 0.000 0.000 3/28800 230.0 44.311 44.311 68.548 -0.000 0.000 0.000 3/28800 240.0 42.015 42.015 65.284 -0.000 0.000 0.000 3/28800 250.0 39.938 39.938 62.305 -0.000 0.000 0.000 3/28800 260.0 38.052 38.052 59.579 -0.000 0.000 0.000 3/28800 270.0 36.333 36.333 57.077 -0.000 0.000 0.000 3/28800 280.0 34.761 34.761 54.774 -0.000 0.000 0.000 3/28800 290.0 33.319 33.319 52.648 -0.000 0.000 0.000 3/28800 300.0 31.992 31.992 50.680 -0.000 0.000 0.000 3/28800 310.0 30.768 30.768 48.855 -0.000 0.000 0.000 3/28800 320.0 29.634 29.634 47.157 -0.000 0.000 0.000 3/28800 330.0 28.582 28.582 45.573 -0.000 0.000 0.000 3/28800 340.0 27.603 27.603 44.094 -0.000 0.000 0.000 3/28800 350.0 26.690 26.690 42.709 -0.000 0.000 0.000 3/28800 360.0 25.836 25.836 41.410 -0.000 0.000 0.000 3/28800 370.0 25.037 25.037 40.189 -0.000 0.000 0.000 3/28800 380.0 24.287 24.287 39.039 -0.000 0.000 0.000 3/28800 390.0 23.581 23.581 37.954 -0.000 0.000 0.000 3/28800 400.0 22.917 22.917 36.929 -0.000 0.000 0.000 3/28800 410.0 22.289 22.289 35.959 -0.000 0.000 0.000 3/28800 420.0 21.696 21.696 35.040 -0.000 0.000 0.000 3/28800 430.0 21.135 21.135 34.168 -0.000 0.000 0.000 3/28800 440.0 20.603 20.603 33.339 -0.000 0.000 0.000 3/28800 450.0 20.097 20.097 32.550 -0.000 0.000 0.000 3/28800 460.0 19.617 19.617 31.799 -0.000 0.000 0.000 3/28800 470.0 19.159 19.159 31.082 -0.000 0.000 0.000 3/28800 480.0 18.723 18.723 30.398 -0.000 0.000 0.000 3/28800 490.0 18.307 18.307 29.744 -0.000 0.000 0.000 3/28800 500.0 17.910 17.910 29.118 -0.000 0.000 0.000 3/28800 510.0 17.530 17.530 28.519 -0.000 0.000 0.000 3/28800 520.0 17.166 17.166 27.944 -0.000 0.000 0.000 3/28800 530.0 16.818 16.818 27.392 -0.000 0.000 0.000 3/28800 540.0 16.483 16.483 26.863 -0.000 0.000 0.000 3/28800 550.0 16.162 16.162 26.354 -0.000 0.000 0.000 3/28800 560.0 15.854 15.854 25.864 -0.000 0.000 0.000 3/28800 570.0 15.558 15.558 25.393 -0.000 0.000 0.000 3/28800 580.0 15.272 15.272 24.938 -0.000 0.000 0.000 3/28800 590.0 14.998 14.998 24.501 -0.000 0.000 0.000 3/28800 600.0 14.733 14.733 24.078 -0.000 0.000 0.000 3/28800 610.0 14.478 14.478 23.670 -0.000 0.000 0.000 3/28800 620.0 14.231 14.231 23.276 -0.000 0.000 0.000 3/28800 630.0 13.993 13.993 22.896 -0.000 0.000 0.000 3/28800 640.0 13.763 13.763 22.527 -0.000 0.000 0.000 3/28800 650.0 13.541 13.541 22.171 -0.000 0.000 0.000 3/28800 660.0 13.326 13.326 21.826 -0.000 0.000 0.000 3/28800 670.0 13.118 13.118 21.492 -0.000 0.000 0.000 3/28800 680.0 12.916 12.916 21.168 -0.000 0.000 0.000 3/28800 690.0 12.721 12.721 20.854 -0.000 0.000 0.000 3/28800 700.0 12.531 12.531 20.549 -0.000 0.000 0.000 3/28800 710.0 12.347 12.347 20.253 -0.000 0.000 0.000 3/28800 720.0 12.169 12.169 19.965 -0.000 0.000 0.000 3/28800 730.0 11.996 11.996 19.686 -0.000 0.000 0.000 3/28800 740.0 11.828 11.828 19.415 -0.000 0.000 0.000 3/28800 750.0 11.664 11.664 19.151 -0.000 0.000 0.000 3/28800 760.0 11.505 11.505 18.895 -0.000 0.000 0.000 3/28800 770.0 11.351 11.351 18.645 -0.000 0.000 0.000 3/28800 780.0 11.200 11.200 18.402 -0.000 0.000 0.000 3/28800 790.0 11.054 11.054 18.165 -0.000 0.000 0.000 3/28800 800.0 10.912 10.912 17.934 -0.000 0.000 0.000 3/28800 810.0 10.773 10.773 17.710 -0.000 0.000 0.000 3/28800 820.0 10.637 10.637 17.491 -0.000 0.000 0.000 3/28800 830.0 10.506 10.506 17.277 -0.000 0.000 0.000 3/28800 840.0 10.377 10.377 17.068 -0.000 0.000 0.000 3/28800 850.0 10.252 10.252 16.865 -0.000 0.000 0.000 3/28800 860.0 10.129 10.129 16.666 -0.000 0.000 0.000 3/28800 870.0 10.010 10.010 16.473 -0.000 0.000 0.000 3/28800 880.0 9.893 9.893 16.283 -0.000 0.000 0.000 3/28800 890.0 9.779 9.779 16.098 -0.000 0.000 0.000 3/28800 900.0 9.668 9.668 15.918 -0.000 0.000 0.000 3/28800 910.0 9.560 9.560 15.741 -0.000 0.000 0.000 3/28800 920.0 9.453 9.453 15.568 -0.000 0.000 0.000 3/28800 930.0 9.349 9.349 15.399 -0.000 0.000 0.000 3/28800 940.0 9.248 9.248 15.234 -0.000 0.000 0.000 3/28800 950.0 9.148 9.148 15.072 -0.000 0.000 0.000 3/28800 960.0 9.051 9.051 14.914 -0.000 0.000 0.000 3/28800 970.0 8.956 8.956 14.759 -0.000 0.000 0.000 3/28800 980.0 8.863 8.863 14.607 -0.000 0.000 0.000 3/28800 990.0 8.772 8.772 14.458 -0.000 0.000 0.000 3/28800 1000.0 8.683 8.683 14.313 -0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m101016.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:49:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|