----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:38:49]------------------------- 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 4.772604780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772604780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216359639999999 Atomic positions (fractional): *1 O 0.19373090807987 0.80626909192013 0.50000000000000 15.999 2 O 0.80626909192013 0.19373090807987 0.50000000000000 15.999 3 O 0.30626909192013 0.30626909192013 0.00000000000000 15.999 4 O 0.69373090807987 0.69373090807987 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 4.772604780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772604780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216359639999999 Atomic positions (fractional): *1 O 0.19373090807987 0.80626909192013 0.50000000000000 15.999 > 1 2 O 0.80626909192013 0.19373090807987 0.50000000000000 15.999 > 2 3 O 0.30626909192013 0.30626909192013 0.00000000000000 15.999 > 3 4 O 0.69373090807987 0.69373090807987 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 9.545209560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.545209560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649078919999997 Atomic positions (fractional): *1 O 0.09686545403994 0.40313454596006 0.16666666666667 15.999 > 1 2 O 0.59686545403994 0.40313454596006 0.16666666666667 15.999 > 1 3 O 0.09686545403994 0.90313454596006 0.16666666666667 15.999 > 1 4 O 0.59686545403994 0.90313454596006 0.16666666666667 15.999 > 1 5 O 0.09686545403994 0.40313454596006 0.50000000000000 15.999 > 1 6 O 0.59686545403994 0.40313454596006 0.50000000000000 15.999 > 1 7 O 0.09686545403994 0.90313454596006 0.50000000000000 15.999 > 1 8 O 0.59686545403994 0.90313454596006 0.50000000000000 15.999 > 1 9 O 0.09686545403994 0.40313454596006 0.83333333333333 15.999 > 1 10 O 0.59686545403994 0.40313454596006 0.83333333333333 15.999 > 1 11 O 0.09686545403994 0.90313454596006 0.83333333333333 15.999 > 1 12 O 0.59686545403994 0.90313454596006 0.83333333333333 15.999 > 1 13 O 0.40313454596006 0.09686545403994 0.16666666666667 15.999 > 2 14 O 0.90313454596006 0.09686545403994 0.16666666666667 15.999 > 2 15 O 0.40313454596006 0.59686545403994 0.16666666666667 15.999 > 2 16 O 0.90313454596006 0.59686545403994 0.16666666666667 15.999 > 2 17 O 0.40313454596006 0.09686545403994 0.50000000000000 15.999 > 2 18 O 0.90313454596006 0.09686545403994 0.50000000000000 15.999 > 2 19 O 0.40313454596006 0.59686545403994 0.50000000000000 15.999 > 2 20 O 0.90313454596006 0.59686545403994 0.50000000000000 15.999 > 2 21 O 0.40313454596006 0.09686545403994 0.83333333333333 15.999 > 2 22 O 0.90313454596006 0.09686545403994 0.83333333333333 15.999 > 2 23 O 0.40313454596006 0.59686545403994 0.83333333333333 15.999 > 2 24 O 0.90313454596006 0.59686545403994 0.83333333333333 15.999 > 2 25 O 0.15313454596006 0.15313454596006 0.00000000000000 15.999 > 3 26 O 0.65313454596006 0.15313454596006 0.00000000000000 15.999 > 3 27 O 0.15313454596006 0.65313454596006 0.00000000000000 15.999 > 3 28 O 0.65313454596006 0.65313454596006 0.00000000000000 15.999 > 3 29 O 0.15313454596006 0.15313454596006 0.33333333333333 15.999 > 3 30 O 0.65313454596006 0.15313454596006 0.33333333333333 15.999 > 3 31 O 0.15313454596006 0.65313454596006 0.33333333333333 15.999 > 3 32 O 0.65313454596006 0.65313454596006 0.33333333333333 15.999 > 3 33 O 0.15313454596006 0.15313454596006 0.66666666666667 15.999 > 3 34 O 0.65313454596006 0.15313454596006 0.66666666666667 15.999 > 3 35 O 0.15313454596006 0.65313454596006 0.66666666666667 15.999 > 3 36 O 0.65313454596006 0.65313454596006 0.66666666666667 15.999 > 3 37 O 0.34686545403994 0.34686545403994 0.00000000000000 15.999 > 4 38 O 0.84686545403994 0.34686545403994 0.00000000000000 15.999 > 4 39 O 0.34686545403994 0.84686545403994 0.00000000000000 15.999 > 4 40 O 0.84686545403994 0.84686545403994 0.00000000000000 15.999 > 4 41 O 0.34686545403994 0.34686545403994 0.33333333333333 15.999 > 4 42 O 0.84686545403994 0.34686545403994 0.33333333333333 15.999 > 4 43 O 0.34686545403994 0.84686545403994 0.33333333333333 15.999 > 4 44 O 0.84686545403994 0.84686545403994 0.33333333333333 15.999 > 4 45 O 0.34686545403994 0.34686545403994 0.66666666666667 15.999 > 4 46 O 0.84686545403994 0.34686545403994 0.66666666666667 15.999 > 4 47 O 0.34686545403994 0.84686545403994 0.66666666666667 15.999 > 4 48 O 0.84686545403994 0.84686545403994 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 ---------------------------- 4.8625342 0.0000000 0.0000000 0.0000000 4.8625342 0.0000000 0.0000000 0.0000000 4.8855668 -------------------------- Born effective charges -------------------------- 1 O -2.0458589 0.7468595 0.0000000 0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 2 O -2.0458589 0.7468595 0.0000000 0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 3 O -2.0458589 -0.7468595 0.0000000 -0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 4 O -2.0458589 -0.7468595 0.0000000 -0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 5 Sn 4.0917178 -0.4720628 0.0000000 -0.4720628 4.0917178 0.0000000 0.0000000 0.0000000 4.4845667 6 Sn 4.0917178 0.4720628 0.0000000 0.4720628 4.0917178 0.0000000 0.0000000 0.0000000 4.4845667 ---------------------------------------------------------------------------- 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: 0.026 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.028 --------------------------------- 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 2026-01-07 18:38:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:38:51]------------------------- 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 4.772604780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772604780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216359639999999 Atomic positions (fractional): 1 O 0.19373090807987 0.80626909192013 0.50000000000000 15.999 2 O 0.80626909192013 0.19373090807987 0.50000000000000 15.999 3 O 0.30626909192013 0.30626909192013 0.00000000000000 15.999 4 O 0.69373090807987 0.69373090807987 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 9.545209560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.545209560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649078919999997 Atomic positions (fractional): 1 O 0.09686545403994 0.40313454596006 0.16666666666667 15.999 > 1 2 O 0.59686545403994 0.40313454596006 0.16666666666667 15.999 > 1 3 O 0.09686545403994 0.90313454596006 0.16666666666667 15.999 > 1 4 O 0.59686545403994 0.90313454596006 0.16666666666667 15.999 > 1 5 O 0.09686545403994 0.40313454596006 0.50000000000000 15.999 > 1 6 O 0.59686545403994 0.40313454596006 0.50000000000000 15.999 > 1 7 O 0.09686545403994 0.90313454596006 0.50000000000000 15.999 > 1 8 O 0.59686545403994 0.90313454596006 0.50000000000000 15.999 > 1 9 O 0.09686545403994 0.40313454596006 0.83333333333333 15.999 > 1 10 O 0.59686545403994 0.40313454596006 0.83333333333333 15.999 > 1 11 O 0.09686545403994 0.90313454596006 0.83333333333333 15.999 > 1 12 O 0.59686545403994 0.90313454596006 0.83333333333333 15.999 > 1 13 O 0.40313454596006 0.09686545403994 0.16666666666667 15.999 > 13 14 O 0.90313454596006 0.09686545403994 0.16666666666667 15.999 > 13 15 O 0.40313454596006 0.59686545403994 0.16666666666667 15.999 > 13 16 O 0.90313454596006 0.59686545403994 0.16666666666667 15.999 > 13 17 O 0.40313454596006 0.09686545403994 0.50000000000000 15.999 > 13 18 O 0.90313454596006 0.09686545403994 0.50000000000000 15.999 > 13 19 O 0.40313454596006 0.59686545403994 0.50000000000000 15.999 > 13 20 O 0.90313454596006 0.59686545403994 0.50000000000000 15.999 > 13 21 O 0.40313454596006 0.09686545403994 0.83333333333333 15.999 > 13 22 O 0.90313454596006 0.09686545403994 0.83333333333333 15.999 > 13 23 O 0.40313454596006 0.59686545403994 0.83333333333333 15.999 > 13 24 O 0.90313454596006 0.59686545403994 0.83333333333333 15.999 > 13 25 O 0.15313454596006 0.15313454596006 0.00000000000000 15.999 > 25 26 O 0.65313454596006 0.15313454596006 0.00000000000000 15.999 > 25 27 O 0.15313454596006 0.65313454596006 0.00000000000000 15.999 > 25 28 O 0.65313454596006 0.65313454596006 0.00000000000000 15.999 > 25 29 O 0.15313454596006 0.15313454596006 0.33333333333333 15.999 > 25 30 O 0.65313454596006 0.15313454596006 0.33333333333333 15.999 > 25 31 O 0.15313454596006 0.65313454596006 0.33333333333333 15.999 > 25 32 O 0.65313454596006 0.65313454596006 0.33333333333333 15.999 > 25 33 O 0.15313454596006 0.15313454596006 0.66666666666667 15.999 > 25 34 O 0.65313454596006 0.15313454596006 0.66666666666667 15.999 > 25 35 O 0.15313454596006 0.65313454596006 0.66666666666667 15.999 > 25 36 O 0.65313454596006 0.65313454596006 0.66666666666667 15.999 > 25 37 O 0.34686545403994 0.34686545403994 0.00000000000000 15.999 > 37 38 O 0.84686545403994 0.34686545403994 0.00000000000000 15.999 > 37 39 O 0.34686545403994 0.84686545403994 0.00000000000000 15.999 > 37 40 O 0.84686545403994 0.84686545403994 0.00000000000000 15.999 > 37 41 O 0.34686545403994 0.34686545403994 0.33333333333333 15.999 > 37 42 O 0.84686545403994 0.34686545403994 0.33333333333333 15.999 > 37 43 O 0.34686545403994 0.84686545403994 0.33333333333333 15.999 > 37 44 O 0.84686545403994 0.84686545403994 0.33333333333333 15.999 > 37 45 O 0.34686545403994 0.34686545403994 0.66666666666667 15.999 > 37 46 O 0.84686545403994 0.34686545403994 0.66666666666667 15.999 > 37 47 O 0.34686545403994 0.84686545403994 0.66666666666667 15.999 > 37 48 O 0.84686545403994 0.84686545403994 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 ---------------------------- 4.8625342 0.0000000 0.0000000 0.0000000 4.8625342 0.0000000 0.0000000 0.0000000 4.8855668 -------------------------- Born effective charges -------------------------- 1 O -2.0458589 0.7468595 0.0000000 0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 2 O -2.0458589 0.7468595 0.0000000 0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 3 O -2.0458589 -0.7468595 0.0000000 -0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 4 O -2.0458589 -0.7468595 0.0000000 -0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 5 Sn 4.0917178 -0.4720628 0.0000000 -0.4720628 4.0917178 0.0000000 0.0000000 0.0000000 4.4845667 6 Sn 4.0917178 0.4720628 0.0000000 0.4720628 4.0917178 0.0000000 0.0000000 0.0000000 4.4845667 ---------------------------------------------------------------------------- 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 (zyz) 0.00000003 (zyz) 0.00000003 (zzy) 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 2026-01-07 18:38:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:38:53]------------------------- 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 4.772604780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.772604780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.216359639999999 Atomic positions (fractional): 1 O 0.19373090807987 0.80626909192013 0.50000000000000 15.999 2 O 0.80626909192013 0.19373090807987 0.50000000000000 15.999 3 O 0.30626909192013 0.30626909192013 0.00000000000000 15.999 4 O 0.69373090807987 0.69373090807987 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 9.545209560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.545209560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649078919999997 Atomic positions (fractional): 1 O 0.09686545403994 0.40313454596006 0.16666666666667 15.999 > 1 2 O 0.59686545403994 0.40313454596006 0.16666666666667 15.999 > 1 3 O 0.09686545403994 0.90313454596006 0.16666666666667 15.999 > 1 4 O 0.59686545403994 0.90313454596006 0.16666666666667 15.999 > 1 5 O 0.09686545403994 0.40313454596006 0.50000000000000 15.999 > 1 6 O 0.59686545403994 0.40313454596006 0.50000000000000 15.999 > 1 7 O 0.09686545403994 0.90313454596006 0.50000000000000 15.999 > 1 8 O 0.59686545403994 0.90313454596006 0.50000000000000 15.999 > 1 9 O 0.09686545403994 0.40313454596006 0.83333333333333 15.999 > 1 10 O 0.59686545403994 0.40313454596006 0.83333333333333 15.999 > 1 11 O 0.09686545403994 0.90313454596006 0.83333333333333 15.999 > 1 12 O 0.59686545403994 0.90313454596006 0.83333333333333 15.999 > 1 13 O 0.40313454596006 0.09686545403994 0.16666666666667 15.999 > 13 14 O 0.90313454596006 0.09686545403994 0.16666666666667 15.999 > 13 15 O 0.40313454596006 0.59686545403994 0.16666666666667 15.999 > 13 16 O 0.90313454596006 0.59686545403994 0.16666666666667 15.999 > 13 17 O 0.40313454596006 0.09686545403994 0.50000000000000 15.999 > 13 18 O 0.90313454596006 0.09686545403994 0.50000000000000 15.999 > 13 19 O 0.40313454596006 0.59686545403994 0.50000000000000 15.999 > 13 20 O 0.90313454596006 0.59686545403994 0.50000000000000 15.999 > 13 21 O 0.40313454596006 0.09686545403994 0.83333333333333 15.999 > 13 22 O 0.90313454596006 0.09686545403994 0.83333333333333 15.999 > 13 23 O 0.40313454596006 0.59686545403994 0.83333333333333 15.999 > 13 24 O 0.90313454596006 0.59686545403994 0.83333333333333 15.999 > 13 25 O 0.15313454596006 0.15313454596006 0.00000000000000 15.999 > 25 26 O 0.65313454596006 0.15313454596006 0.00000000000000 15.999 > 25 27 O 0.15313454596006 0.65313454596006 0.00000000000000 15.999 > 25 28 O 0.65313454596006 0.65313454596006 0.00000000000000 15.999 > 25 29 O 0.15313454596006 0.15313454596006 0.33333333333333 15.999 > 25 30 O 0.65313454596006 0.15313454596006 0.33333333333333 15.999 > 25 31 O 0.15313454596006 0.65313454596006 0.33333333333333 15.999 > 25 32 O 0.65313454596006 0.65313454596006 0.33333333333333 15.999 > 25 33 O 0.15313454596006 0.15313454596006 0.66666666666667 15.999 > 25 34 O 0.65313454596006 0.15313454596006 0.66666666666667 15.999 > 25 35 O 0.15313454596006 0.65313454596006 0.66666666666667 15.999 > 25 36 O 0.65313454596006 0.65313454596006 0.66666666666667 15.999 > 25 37 O 0.34686545403994 0.34686545403994 0.00000000000000 15.999 > 37 38 O 0.84686545403994 0.34686545403994 0.00000000000000 15.999 > 37 39 O 0.34686545403994 0.84686545403994 0.00000000000000 15.999 > 37 40 O 0.84686545403994 0.84686545403994 0.00000000000000 15.999 > 37 41 O 0.34686545403994 0.34686545403994 0.33333333333333 15.999 > 37 42 O 0.84686545403994 0.34686545403994 0.33333333333333 15.999 > 37 43 O 0.34686545403994 0.84686545403994 0.33333333333333 15.999 > 37 44 O 0.84686545403994 0.84686545403994 0.33333333333333 15.999 > 37 45 O 0.34686545403994 0.34686545403994 0.66666666666667 15.999 > 37 46 O 0.84686545403994 0.34686545403994 0.66666666666667 15.999 > 37 47 O 0.34686545403994 0.84686545403994 0.66666666666667 15.999 > 37 48 O 0.84686545403994 0.84686545403994 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 ---------------------------- 4.8625342 0.0000000 0.0000000 0.0000000 4.8625342 0.0000000 0.0000000 0.0000000 4.8855668 -------------------------- Born effective charges -------------------------- 1 O -2.0458589 0.7468595 0.0000000 0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 2 O -2.0458589 0.7468595 0.0000000 0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 3 O -2.0458589 -0.7468595 0.0000000 -0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 4 O -2.0458589 -0.7468595 0.0000000 -0.7468595 -2.0458589 0.0000000 0.0000000 0.0000000 -2.2422834 5 Sn 4.0917178 -0.4720628 0.0000000 -0.4720628 4.0917178 0.0000000 0.0000000 0.0000000 4.4845667 6 Sn 4.0917178 0.4720628 0.0000000 0.4720628 4.0917178 0.0000000 0.0000000 0.0000000 4.4845667 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zyz) 0.00000003 (zyz) 0.00000003 (zzy) 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 3.054 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.569 ( 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 10.235 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.629 ( 0.000 0.000 0.000) 0.000 13.629 ( 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 18.264 ( 0.000 0.000 0.000) 0.000 21.981 ( 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 ( 35.560 0.000 0.000) 35.560 1.070 ( 50.647 0.000 0.000) 50.647 1.245 ( 58.834 0.000 0.000) 58.834 3.245 ( 17.280 0.000 0.000) 17.280 4.263 ( -3.967 0.000 0.000) 3.967 6.575 ( 0.461 0.000 0.000) 0.461 7.643 ( -5.391 0.000 0.000) 5.391 8.027 ( -12.146 0.000 0.000) 12.146 9.568 ( -0.526 0.000 0.000) 0.526 10.234 ( -0.379 0.000 0.000) 0.379 13.324 ( -7.984 0.000 0.000) 7.984 13.608 ( -1.934 0.000 0.000) 1.934 13.868 ( 15.670 0.000 0.000) 15.670 16.369 ( -3.953 0.000 0.000) 3.953 17.354 ( -0.653 0.000 0.000) 0.653 18.187 ( -6.973 0.000 0.000) 6.973 21.123 ( 7.055 0.000 0.000) 7.055 21.988 ( 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 ( 33.349 0.000 0.000) 33.349 2.112 ( 48.449 0.000 0.000) 48.449 2.453 ( 56.154 0.000 0.000) 56.154 3.713 ( 25.571 0.000 0.000) 25.571 4.138 ( -8.029 0.000 0.000) 8.029 6.579 ( -0.418 0.000 0.000) 0.418 7.468 ( -11.271 0.000 0.000) 11.271 7.674 ( -20.826 0.000 0.000) 20.826 9.562 ( 0.209 0.000 0.000) 0.209 10.202 ( -2.993 0.000 0.000) 2.993 13.197 ( -4.072 0.000 0.000) 4.072 13.550 ( -3.613 0.000 0.000) 3.613 14.229 ( 18.432 0.000 0.000) 18.432 16.245 ( -7.840 0.000 0.000) 7.840 17.340 ( -0.576 0.000 0.000) 0.576 17.998 ( -10.395 0.000 0.000) 10.395 21.316 ( 10.641 0.000 0.000) 10.641 22.003 ( 0.628 0.000 0.000) 0.628 ======================= 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 ( 29.971 0.000 0.000) 29.971 3.084 ( 43.849 0.000 0.000) 43.849 3.584 ( 51.384 0.000 0.000) 51.384 3.925 ( -12.265 0.000 0.000) 12.265 4.242 ( 23.269 0.000 0.000) 23.269 6.530 ( -5.543 0.000 0.000) 5.543 7.181 ( -15.511 0.000 0.000) 15.511 7.191 ( -23.861 0.000 0.000) 23.861 9.586 ( 2.203 0.000 0.000) 2.203 10.103 ( -6.374 0.000 0.000) 6.374 13.152 ( -0.326 0.000 0.000) 0.326 13.461 ( -4.766 0.000 0.000) 4.766 14.629 ( 19.536 0.000 0.000) 19.536 16.041 ( -11.543 0.000 0.000) 11.543 17.337 ( 0.511 0.000 0.000) 0.511 17.777 ( -10.215 0.000 0.000) 10.215 21.544 ( 10.660 0.000 0.000) 10.660 22.007 ( -0.424 0.000 0.000) 0.424 ======================= 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| 2.731 ( 25.815 0.000 0.000) 25.815 3.622 ( -16.703 0.000 0.000) 16.703 3.918 ( 34.607 0.000 0.000) 34.607 4.496 ( 20.971 0.000 0.000) 20.971 4.703 ( 33.031 0.000 0.000) 33.031 6.232 ( -25.365 0.000 0.000) 25.365 6.798 ( -10.754 0.000 0.000) 10.754 6.867 ( -12.768 0.000 0.000) 12.768 9.658 ( 4.769 0.000 0.000) 4.769 9.947 ( -8.040 0.000 0.000) 8.040 13.178 ( 2.604 0.000 0.000) 2.604 13.355 ( -5.119 0.000 0.000) 5.119 15.037 ( 19.166 0.000 0.000) 19.166 15.764 ( -14.860 0.000 0.000) 14.860 17.368 ( 2.491 0.000 0.000) 2.491 17.584 ( -7.984 0.000 0.000) 7.984 21.747 ( 8.502 0.000 0.000) 8.502 21.978 ( -2.565 0.000 0.000) 2.565 ======================= 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| 3.224 ( -21.284 0.000 0.000) 21.284 3.224 ( 21.284 0.000 0.000) 21.284 4.469 ( -16.089 0.000 0.000) 16.089 4.469 ( 16.089 0.000 0.000) 16.089 5.539 ( -38.537 0.000 0.000) 38.537 5.539 ( 38.537 0.000 0.000) 38.537 6.710 ( -1.604 0.000 0.000) 1.604 6.710 ( 1.604 0.000 0.000) 1.604 9.784 ( -7.152 0.000 0.000) 7.152 9.784 ( 7.152 0.000 0.000) 7.152 13.253 ( -4.438 0.000 0.000) 4.438 13.253 ( 4.438 0.000 0.000) 4.438 15.423 ( -17.510 0.000 0.000) 17.510 15.423 ( 17.510 0.000 0.000) 17.510 17.446 ( -5.121 0.000 0.000) 5.121 17.446 ( 5.121 0.000 0.000) 5.121 21.894 ( -5.476 0.000 0.000) 5.476 21.894 ( 5.476 0.000 0.000) 5.476 ======================= 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 ( 16.014 16.014 0.000) 22.647 1.061 ( 24.540 24.540 0.000) 34.704 2.185 ( 50.420 50.420 0.000) 71.304 3.425 ( 16.359 16.359 0.000) 23.135 4.224 ( -3.707 -3.707 0.000) 5.243 6.614 ( 1.900 1.900 0.000) 2.688 7.405 ( -14.493 -14.493 0.000) 20.496 8.110 ( -2.460 -2.460 0.000) 3.479 9.523 ( -1.700 -1.700 0.000) 2.404 10.240 ( 0.223 0.223 0.000) 0.316 13.251 ( -4.855 -4.855 0.000) 6.867 13.641 ( 0.577 0.577 0.000) 0.817 13.970 ( 10.088 10.088 0.000) 14.266 16.328 ( -3.907 -3.907 0.000) 5.526 17.373 ( 0.529 0.529 0.000) 0.748 18.116 ( -6.401 -6.401 0.000) 9.052 21.122 ( 3.432 3.432 0.000) 4.853 22.029 ( 1.745 1.745 0.000) 2.467 ======================= 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 ( 47.374 -26.880 0.000) 54.469 1.640 ( 29.053 14.307 0.000) 32.384 3.230 ( 48.525 44.238 0.000) 65.663 3.871 ( 24.543 14.508 0.000) 28.511 4.107 ( -7.521 -2.942 0.000) 8.076 6.626 ( -1.343 3.484 0.000) 3.734 7.058 ( -18.729 -25.418 0.000) 31.573 7.917 ( -13.986 8.388 0.000) 16.309 9.521 ( 1.200 -2.582 0.000) 2.847 10.224 ( -2.143 1.697 0.000) 2.733 13.171 ( -2.410 -1.699 0.000) 2.949 13.609 ( -3.172 4.393 0.000) 5.419 14.258 ( 16.400 3.244 0.000) 16.718 16.205 ( -7.744 -3.765 0.000) 8.611 17.370 ( -0.519 2.160 0.000) 2.221 17.943 ( -9.474 -4.955 0.000) 10.692 21.272 ( 9.701 -1.858 0.000) 9.877 22.045 ( -0.079 2.432 0.000) 2.433 ======================= 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| 2.239 ( 27.596 8.600 0.000) 28.905 2.507 ( 48.310 -33.289 0.000) 58.669 3.908 ( -11.524 -1.703 0.000) 11.649 4.184 ( 40.707 35.381 0.000) 53.933 4.385 ( 23.518 13.786 0.000) 27.261 6.429 ( -20.978 -17.943 0.000) 27.605 6.755 ( -5.773 -10.006 0.000) 11.552 7.570 ( -18.542 12.939 0.000) 22.610 9.569 ( 3.402 -1.007 0.000) 3.548 10.140 ( -5.870 3.178 0.000) 6.675 13.155 ( 0.863 0.641 0.000) 1.075 13.522 ( -4.939 5.240 0.000) 7.201 14.629 ( 18.531 0.139 0.000) 18.531 16.004 ( -11.384 -3.510 0.000) 11.913 17.364 ( 0.144 2.205 0.000) 2.209 17.743 ( -9.207 -3.085 0.000) 9.710 21.492 ( 10.688 -3.690 0.000) 11.307 22.027 ( -1.656 1.025 0.000) 1.948 ======================= 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| 2.784 ( 24.192 4.886 0.000) 24.680 3.481 ( 43.800 -30.376 0.000) 53.302 3.623 ( -15.732 -0.015 0.000) 15.732 4.619 ( 1.316 5.963 0.000) 6.107 5.022 ( 31.966 23.927 0.000) 39.929 5.932 ( -22.006 -23.328 0.000) 32.070 6.715 ( 0.816 1.453 0.000) 1.666 7.164 ( -19.270 13.938 0.000) 23.782 9.666 ( 5.896 1.009 0.000) 5.981 9.988 ( -8.252 3.669 0.000) 9.031 13.202 ( 3.529 2.494 0.000) 4.321 13.410 ( -5.592 4.895 0.000) 7.432 15.021 ( 18.574 -1.498 0.000) 18.635 15.731 ( -14.616 -3.106 0.000) 14.942 17.384 ( 1.931 1.462 0.000) 2.423 17.570 ( -7.088 -1.241 0.000) 7.195 21.702 ( 9.066 -3.732 0.000) 9.804 21.972 ( -3.792 -0.966 0.000) 3.913 ======================= 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| 3.248 ( -20.049 2.140 0.000) 20.163 3.248 ( 20.049 2.140 0.000) 20.163 4.286 ( -30.704 -17.452 0.000) 35.318 4.286 ( 30.704 -17.452 0.000) 35.318 5.547 ( -18.384 2.772 0.000) 18.592 5.547 ( 18.384 2.772 0.000) 18.592 6.827 ( -11.127 8.931 0.000) 14.267 6.827 ( 11.127 8.931 0.000) 14.267 9.813 ( -7.996 2.799 0.000) 8.472 9.813 ( 7.996 2.799 0.000) 8.472 13.295 ( -5.142 3.926 0.000) 6.470 13.295 ( 5.142 3.926 0.000) 6.470 15.397 ( -17.135 -2.481 0.000) 17.314 15.397 ( 17.135 -2.481 0.000) 17.314 17.449 ( -4.402 0.296 0.000) 4.411 17.449 ( 4.402 0.296 0.000) 4.411 21.865 ( -6.441 -2.703 0.000) 6.985 21.865 ( 6.441 -2.703 0.000) 6.985 ======================= 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| 1.321 ( 13.492 13.492 0.000) 19.080 2.024 ( 21.043 21.043 0.000) 29.760 4.013 ( -6.039 -6.039 0.000) 8.541 4.140 ( 41.620 41.620 0.000) 58.860 4.274 ( 22.477 22.477 0.000) 31.787 6.463 ( -30.085 -30.085 0.000) 42.546 6.700 ( 1.896 1.896 0.000) 2.681 7.934 ( -6.124 -6.124 0.000) 8.661 9.504 ( 1.355 1.355 0.000) 1.916 10.250 ( 0.168 0.168 0.000) 0.237 13.154 ( 0.412 0.412 0.000) 0.583 13.675 ( 1.012 1.012 0.000) 1.431 14.389 ( 9.534 9.534 0.000) 13.483 16.088 ( -7.442 -7.442 0.000) 10.524 17.404 ( 0.919 0.919 0.000) 1.299 17.810 ( -7.221 -7.221 0.000) 10.212 21.299 ( 4.539 4.539 0.000) 6.419 22.065 ( -0.670 -0.670 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 ( 39.301 -19.030 0.000) 43.666 2.481 ( 21.938 13.859 0.000) 25.949 3.852 ( -9.390 -3.679 0.000) 10.085 4.722 ( 16.936 21.131 0.000) 27.081 4.946 ( 34.221 32.634 0.000) 47.286 5.801 ( -30.165 -36.175 0.000) 47.101 6.731 ( 1.071 1.710 0.000) 2.018 7.706 ( -14.585 0.097 0.000) 14.585 9.575 ( 5.224 2.136 0.000) 5.644 10.213 ( -3.931 3.101 0.000) 5.007 13.192 ( 3.249 3.108 0.000) 4.496 13.645 ( -3.568 5.592 0.000) 6.633 14.649 ( 14.715 2.257 0.000) 14.887 15.895 ( -10.879 -6.889 0.000) 12.877 17.413 ( 0.156 2.150 0.000) 2.155 17.660 ( -6.690 -4.404 0.000) 8.010 21.440 ( 8.201 -0.656 0.000) 8.227 22.021 ( -3.421 -1.896 0.000) 3.911 ======================= 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 ( 45.297 -29.686 0.000) 54.158 2.923 ( 19.917 8.071 0.000) 21.490 3.618 ( -12.985 -0.537 0.000) 12.996 4.613 ( -31.033 -12.709 0.000) 33.535 5.521 ( 16.116 12.090 0.000) 20.146 5.533 ( 10.101 2.999 0.000) 10.537 6.778 ( 4.861 2.950 0.000) 5.686 7.356 ( -18.128 3.868 0.000) 18.536 9.716 ( 8.071 4.040 0.000) 9.026 10.086 ( -7.834 5.254 0.000) 9.433 13.285 ( 5.417 5.354 0.000) 7.617 13.542 ( -5.883 7.229 0.000) 9.320 14.980 ( 16.457 -2.081 0.000) 16.588 15.635 ( -13.818 -5.985 0.000) 15.058 17.422 ( 0.938 1.991 0.000) 2.201 17.538 ( -4.836 -1.594 0.000) 5.092 21.620 ( 8.612 -3.530 0.000) 9.308 21.926 ( -5.572 -3.413 0.000) 6.534 ======================= 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| 3.307 ( -16.641 3.353 0.000) 16.976 3.307 ( 16.641 3.353 0.000) 16.976 3.779 ( -44.182 -29.274 0.000) 53.001 3.779 ( 44.182 -29.274 0.000) 53.001 5.693 ( -2.684 10.636 0.000) 10.969 5.693 ( 2.684 10.636 0.000) 10.969 6.990 ( -15.240 5.151 0.000) 16.087 6.990 ( 15.240 5.151 0.000) 16.087 9.902 ( -9.310 5.531 0.000) 10.829 9.902 ( 9.310 5.531 0.000) 10.829 13.411 ( -6.382 6.870 0.000) 9.377 13.411 ( 6.382 6.870 0.000) 9.377 15.322 ( -15.865 -4.525 0.000) 16.497 15.322 ( 15.865 -4.525 0.000) 16.497 17.459 ( -2.719 0.647 0.000) 2.795 17.459 ( 2.719 0.647 0.000) 2.795 21.789 ( -7.402 -4.236 0.000) 8.528 21.789 ( 7.402 -4.236 0.000) 8.528 ======================= 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 ( 10.504 10.504 0.000) 14.855 2.793 ( 15.326 15.326 0.000) 21.674 3.751 ( -6.078 -6.078 0.000) 8.595 4.956 ( -39.595 -39.595 0.000) 55.996 5.203 ( 20.951 20.951 0.000) 29.629 5.574 ( 24.896 24.896 0.000) 35.208 6.758 ( 0.847 0.847 0.000) 1.197 7.597 ( -9.741 -9.741 0.000) 13.776 9.667 ( 6.555 6.555 0.000) 9.270 10.245 ( -0.465 -0.465 0.000) 0.658 13.285 ( 5.635 5.635 0.000) 7.970 13.721 ( 1.108 1.108 0.000) 1.566 14.745 ( 7.253 7.253 0.000) 10.258 15.718 ( -9.921 -9.921 0.000) 14.031 17.446 ( 1.012 1.012 0.000) 1.431 17.572 ( -3.721 -3.721 0.000) 5.262 21.470 ( 3.348 3.348 0.000) 4.735 21.950 ( -4.661 -4.661 0.000) 6.591 ======================= 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| 2.315 ( 33.569 -17.488 0.000) 37.851 3.106 ( 14.198 8.969 0.000) 16.794 3.595 ( -8.855 -1.818 0.000) 9.040 4.053 ( -44.359 -35.550 0.000) 56.847 5.649 ( 19.239 14.070 0.000) 23.835 5.961 ( 10.070 18.348 0.000) 20.930 6.804 ( 5.296 -0.610 0.000) 5.331 7.332 ( -14.721 -5.595 0.000) 15.749 9.837 ( 9.231 7.282 0.000) 11.758 10.184 ( -5.333 3.474 0.000) 6.365 13.421 ( 7.066 7.373 0.000) 10.213 13.687 ( -4.066 5.894 0.000) 7.160 14.949 ( 11.751 -0.461 0.000) 11.760 15.484 ( -12.229 -8.274 0.000) 14.765 17.460 ( 0.513 1.523 0.000) 1.608 17.510 ( -2.261 -1.041 0.000) 2.489 21.568 ( 5.736 -1.236 0.000) 5.868 21.834 ( -6.178 -5.081 0.000) 7.999 ======================= 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 ( -42.685 -30.816 0.000) 52.646 3.132 ( 42.685 -30.816 0.000) 52.646 3.379 ( -11.742 3.226 0.000) 12.177 3.379 ( 11.742 3.226 0.000) 12.177 5.959 ( -9.088 14.042 0.000) 16.726 5.959 ( 9.088 14.042 0.000) 16.726 7.018 ( -14.102 -2.453 0.000) 14.314 7.018 ( 14.102 -2.453 0.000) 14.314 10.031 ( -8.798 6.373 0.000) 10.864 10.031 ( 8.798 6.373 0.000) 10.864 13.569 ( -6.746 7.789 0.000) 10.304 13.569 ( 6.746 7.789 0.000) 10.304 15.215 ( -13.173 -5.434 0.000) 14.250 15.215 ( 13.173 -5.434 0.000) 14.250 17.475 ( -1.082 0.842 0.000) 1.371 17.475 ( 1.082 0.842 0.000) 1.371 21.699 ( -6.550 -4.099 0.000) 7.727 21.699 ( 6.550 -4.099 0.000) 7.727 ======================= 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| 2.185 ( 6.358 6.358 0.000) 8.992 3.268 ( -37.338 -37.338 0.000) 52.804 3.286 ( 8.020 8.020 0.000) 11.343 3.537 ( -3.772 -3.772 0.000) 5.334 5.978 ( 15.667 15.667 0.000) 22.156 6.263 ( 8.708 8.708 0.000) 12.316 6.781 ( 0.413 0.413 0.000) 0.584 7.149 ( -11.088 -11.088 0.000) 15.680 10.002 ( 7.955 7.955 0.000) 11.250 10.214 ( -0.846 -0.846 0.000) 1.197 13.581 ( 7.494 7.494 0.000) 10.598 13.761 ( 0.732 0.732 0.000) 1.035 14.981 ( 3.894 3.894 0.000) 5.507 15.297 ( -9.312 -9.312 0.000) 13.169 17.483 ( 0.683 0.683 0.000) 0.967 17.496 ( -0.329 -0.329 0.000) 0.465 21.571 ( 1.504 1.504 0.000) 2.127 21.724 ( -5.161 -5.161 0.000) 7.299 ======================= 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| 2.564 ( -27.959 -21.331 0.000) 35.167 2.564 ( 27.959 -21.331 0.000) 35.167 3.434 ( -6.034 1.934 0.000) 6.336 3.434 ( 6.034 1.934 0.000) 6.336 6.251 ( -8.890 12.914 0.000) 15.679 6.251 ( 8.890 12.914 0.000) 15.679 6.906 ( -10.737 -7.310 0.000) 12.989 6.906 ( 10.737 -7.310 0.000) 12.989 10.147 ( -5.384 4.178 0.000) 6.815 10.147 ( 5.384 4.178 0.000) 6.815 13.715 ( -4.810 5.547 0.000) 7.342 13.715 ( 4.810 5.547 0.000) 7.342 15.110 ( -8.034 -4.088 0.000) 9.014 15.110 ( 8.034 -4.088 0.000) 9.014 17.492 ( -0.200 0.613 0.000) 0.645 17.492 ( 0.200 0.613 0.000) 0.645 21.628 ( -3.820 -2.478 0.000) 4.554 21.628 ( 3.820 -2.478 0.000) 4.554 ======================= 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| 2.325 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 17.498 ( 0.000 0.000 0.000) 0.000 17.498 ( 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| 0.682 ( 0.000 0.000 34.798) 34.798 0.682 ( 0.000 0.000 34.798) 34.798 1.484 ( 0.000 0.000 75.758) 75.758 3.192 ( 0.000 0.000 13.908) 13.908 4.559 ( -0.000 -0.000 25.212) 25.212 6.552 ( 0.000 0.000 -1.725) 1.725 6.552 ( -0.000 0.000 -1.725) 1.725 8.099 ( -0.000 0.000 -6.029) 6.029 8.099 ( 0.000 0.000 -6.029) 6.029 10.191 ( 0.000 0.000 -4.514) 4.514 13.747 ( -0.000 -0.000 11.905) 11.905 13.747 ( 0.000 -0.000 11.905) 11.905 16.439 ( 0.000 0.000 2.939) 2.939 17.338 ( 0.000 0.000 -2.485) 2.485 17.338 ( 0.000 0.000 -2.485) 2.485 18.284 ( 0.000 0.000 2.021) 2.021 19.456 ( -0.000 0.000 -1.082) 1.082 21.950 ( 0.000 0.000 -3.182) 3.182 ======================= 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 ( 27.954 0.000 22.591) 35.941 1.243 ( 41.081 0.000 16.556) 44.291 1.918 ( 36.367 0.000 58.173) 68.605 3.365 ( 15.739 0.000 12.185) 19.904 4.521 ( -3.663 0.000 25.395) 25.657 6.556 ( 0.324 0.000 -1.845) 1.874 7.338 ( 22.270 0.000 -27.413) 35.319 7.973 ( -11.587 0.000 -5.385) 12.777 8.411 ( 30.597 0.000 -41.455) 51.524 10.186 ( -0.711 0.000 -4.884) 4.936 13.729 ( -1.710 0.000 12.128) 12.248 13.770 ( 0.442 0.000 13.571) 13.579 15.254 ( -77.388 0.000 79.245) 110.764 16.377 ( -5.765 0.000 0.788) 5.819 17.348 ( 0.913 0.000 -0.613) 1.100 18.304 ( -6.480 0.000 11.037) 12.799 20.565 ( 37.948 0.000 -38.622) 54.146 21.956 ( 0.498 0.000 -3.327) 3.364 ======================= 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| 1.687 ( 31.806 0.000 16.650) 35.901 2.158 ( 44.356 0.000 5.291) 44.671 2.815 ( 46.464 0.000 36.464) 59.064 3.796 ( 23.740 0.000 8.562) 25.237 4.406 ( -7.207 0.000 26.014) 26.994 6.556 ( -0.722 0.000 -2.241) 2.354 7.386 ( -8.517 0.000 -8.335) 11.917 7.636 ( -19.899 0.000 -3.721) 20.244 8.979 ( 19.765 0.000 -43.269) 47.569 10.146 ( -3.449 0.000 -5.709) 6.671 13.653 ( -10.962 0.000 29.725) 31.682 13.677 ( -3.199 0.000 12.756) 13.150 14.529 ( -3.439 0.000 29.419) 29.619 16.208 ( -10.102 0.000 -3.676) 10.750 17.373 ( 1.400 0.000 3.237) 3.527 18.114 ( -10.639 0.000 11.535) 15.693 21.091 ( 18.102 0.000 -20.642) 27.455 21.966 ( 0.355 0.000 -3.756) 3.772 ======================= 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 ( 29.706 0.000 16.349) 33.907 3.049 ( 39.220 0.000 -1.251) 39.239 3.798 ( 46.414 0.000 22.388) 51.531 4.228 ( -9.204 0.000 27.464) 28.965 4.290 ( 21.697 0.000 5.234) 22.319 6.500 ( -5.792 0.000 -2.802) 6.434 7.122 ( -15.216 0.000 -5.973) 16.347 7.175 ( -22.877 0.000 -1.505) 22.926 9.285 ( 11.063 0.000 -26.416) 28.639 10.036 ( -6.923 0.000 -6.684) 9.623 13.460 ( -6.005 0.000 27.298) 27.951 13.598 ( -4.174 0.000 13.714) 14.335 14.683 ( 13.237 0.000 5.002) 14.150 15.964 ( -13.009 0.000 -7.469) 15.001 17.407 ( 1.985 0.000 6.680) 6.969 17.888 ( -10.417 0.000 11.057) 15.192 21.415 ( 13.384 0.000 -12.608) 18.387 21.963 ( -0.829 0.000 -4.460) 4.537 ======================= 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| 2.917 ( 25.471 0.000 16.856) 30.543 3.619 ( 5.503 0.000 1.664) 5.749 4.165 ( 11.800 0.000 21.822) 24.808 4.610 ( 9.547 0.000 8.234) 12.607 4.746 ( 40.812 0.000 8.527) 41.693 6.218 ( -23.281 0.000 -0.832) 23.296 6.782 ( -11.910 0.000 -1.398) 11.992 6.813 ( -12.422 0.000 -5.380) 13.537 9.488 ( 8.931 0.000 -16.006) 18.330 9.866 ( -8.956 0.000 -8.033) 12.031 13.399 ( -0.291 0.000 21.020) 21.022 13.508 ( -4.236 0.000 15.069) 15.653 14.999 ( 16.174 0.000 -3.644) 16.580 15.669 ( -14.982 0.000 -9.022) 17.488 17.461 ( 3.264 0.000 8.886) 9.466 17.692 ( -8.135 0.000 10.596) 13.359 21.658 ( 9.826 0.000 -8.893) 13.253 21.924 ( -3.121 0.000 -5.450) 6.280 ======================= 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| 3.391 ( -19.195 0.000 15.425) 24.625 3.391 ( 19.195 0.000 15.425) 24.625 4.544 ( -14.391 0.000 7.001) 16.004 4.544 ( 14.391 0.000 7.001) 16.004 5.572 ( -36.277 0.000 4.580) 36.565 5.572 ( 36.277 0.000 4.580) 36.565 6.670 ( -0.635 0.000 -3.905) 3.956 6.670 ( 0.635 0.000 -3.905) 3.956 9.675 ( -9.089 0.000 -10.624) 13.981 9.675 ( 9.089 0.000 -10.624) 13.981 13.431 ( -2.918 0.000 17.226) 17.472 13.431 ( 2.918 0.000 17.226) 17.472 15.341 ( -16.184 0.000 -7.822) 17.975 15.341 ( 16.184 0.000 -7.822) 17.975 17.550 ( -5.425 0.000 10.023) 11.397 17.550 ( 5.425 0.000 10.023) 11.397 21.826 ( -6.273 0.000 -6.818) 9.265 21.826 ( 6.273 0.000 -6.818) 9.265 ======================= 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| 0.971 ( 11.199 11.199 23.728) 28.529 1.528 ( 21.452 21.452 31.908) 44.028 2.458 ( 39.969 39.969 31.995) 64.951 3.530 ( 14.988 14.988 10.639) 23.716 4.487 ( -3.219 -3.219 25.728) 26.128 6.593 ( 1.766 1.766 -2.052) 3.233 7.288 ( -7.711 -7.711 -11.872) 16.121 8.054 ( -2.316 -2.316 -5.693) 6.568 8.600 ( 19.899 19.899 -53.382) 60.345 10.188 ( -0.129 -0.129 -5.280) 5.283 13.710 ( -4.498 -4.498 18.399) 19.467 13.763 ( 0.729 0.729 12.212) 12.256 14.750 ( -27.794 -27.794 61.709) 73.165 16.355 ( -4.196 -4.196 3.342) 6.811 17.348 ( 0.469 0.469 -2.623) 2.706 18.235 ( -6.486 -6.486 11.543) 14.744 20.781 ( 15.122 15.122 -28.436) 35.580 21.982 ( 1.600 1.600 -4.223) 4.791 ======================= 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| 1.533 ( 35.939 -13.597 10.200) 39.756 2.080 ( 30.252 7.214 31.547) 44.299 3.348 ( 42.540 35.948 15.678) 57.859 3.942 ( 22.831 13.419 7.308) 27.472 4.391 ( -5.539 -1.180 26.818) 27.409 6.601 ( -1.677 3.362 -2.448) 4.484 7.012 ( -17.169 -24.209 -4.612) 30.035 7.863 ( -13.573 8.585 -5.475) 16.968 9.013 ( 16.422 3.845 -39.995) 43.406 10.163 ( -2.632 1.312 -6.159) 6.825 13.558 ( -8.217 -5.692 27.443) 29.207 13.747 ( -2.673 3.669 14.144) 14.855 14.494 ( 1.887 -1.863 22.462) 22.618 16.201 ( -9.987 -1.739 -0.210) 10.140 17.368 ( 1.371 -0.132 -0.137) 1.384 18.056 ( -9.860 -5.293 11.196) 15.829 21.094 ( 14.387 1.407 -16.812) 22.172 22.001 ( 0.044 2.187 -4.338) 4.859 ======================= 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| 2.291 ( 34.010 -9.095 5.565) 35.643 2.776 ( 35.878 -9.868 23.606) 44.066 4.028 ( 7.596 5.982 13.734) 16.796 4.410 ( 19.706 15.599 14.444) 28.987 4.424 ( 22.860 18.991 11.411) 31.835 6.401 ( -20.247 -17.159 -2.350) 26.644 6.728 ( -5.778 -9.872 -2.623) 11.735 7.525 ( -18.163 12.732 -4.480) 22.629 9.290 ( 10.935 0.924 -24.816) 27.134 10.068 ( -6.414 2.766 -7.164) 10.006 13.431 ( -3.380 -1.541 24.441) 24.722 13.667 ( -4.577 5.295 14.653) 16.239 14.677 ( 13.153 -0.321 4.405) 13.875 15.955 ( -13.151 -1.258 -4.694) 14.020 17.402 ( 1.921 -0.312 3.780) 4.251 17.847 ( -9.608 -3.729 10.368) 14.619 21.379 ( 12.733 -2.397 -11.049) 17.028 21.982 ( -1.841 1.067 -4.535) 5.009 ======================= 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| 2.921 ( 26.290 -1.168 11.221) 28.609 3.492 ( 23.910 -12.325 7.124) 27.828 3.937 ( -0.325 -10.381 25.582) 27.610 4.677 ( 1.300 4.836 4.959) 7.047 5.073 ( 29.968 22.239 6.577) 37.893 5.927 ( -20.816 -22.701 0.347) 30.802 6.683 ( 0.518 1.576 -3.139) 3.550 7.126 ( -19.051 13.878 -3.786) 23.872 9.500 ( 9.572 1.438 -15.634) 18.388 9.902 ( -9.098 3.311 -8.450) 12.851 13.412 ( 1.243 1.610 19.822) 19.926 13.565 ( -4.930 4.925 15.394) 16.898 14.990 ( 15.978 -0.884 -3.051) 16.291 15.658 ( -15.076 -1.266 -7.015) 16.676 17.453 ( 3.040 -0.622 6.667) 7.353 17.666 ( -7.487 -2.311 9.481) 12.300 21.621 ( 10.155 -3.052 -8.092) 13.339 21.920 ( -4.222 -0.709 -5.206) 6.740 ======================= 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| 3.397 ( -18.706 0.208 13.419) 23.023 3.397 ( 18.706 0.208 13.419) 23.023 4.386 ( -26.357 -14.796 9.991) 31.834 4.386 ( 26.357 -14.796 9.991) 31.834 5.566 ( -17.216 1.523 2.868) 17.519 5.566 ( 17.216 1.523 2.868) 17.519 6.792 ( -11.037 9.214 -3.467) 14.790 6.792 ( 11.037 9.214 -3.467) 14.790 9.702 ( -9.739 2.657 -10.812) 14.793 9.702 ( 9.739 2.657 -10.812) 14.793 13.470 ( -3.929 3.659 16.949) 17.779 13.470 ( 3.929 3.659 16.949) 17.779 15.329 ( -16.145 -1.208 -6.512) 17.451 15.329 ( 16.145 -1.208 -6.512) 17.451 17.536 ( -4.997 -1.264 8.402) 9.857 17.536 ( 4.997 -1.264 8.402) 9.857 21.802 ( -7.117 -2.274 -6.341) 9.800 21.802 ( 7.117 -2.274 -6.341) 9.800 ======================= 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| 1.466 ( 11.588 11.588 13.990) 21.548 2.391 ( 19.544 19.544 32.365) 42.560 4.011 ( 17.881 17.881 6.349) 26.072 4.317 ( 21.055 21.055 4.516) 30.117 4.448 ( 14.350 14.350 25.134) 32.304 6.437 ( -29.031 -29.031 -2.159) 41.113 6.675 ( 1.819 1.819 -2.567) 3.634 7.884 ( -5.965 -5.965 -4.999) 9.806 9.148 ( 8.552 8.552 -30.629) 32.930 10.179 ( -0.338 -0.338 -7.113) 7.129 13.454 ( -3.495 -3.495 25.437) 25.913 13.805 ( 1.257 1.257 12.998) 13.119 14.512 ( 4.448 4.448 11.293) 12.927 16.102 ( -7.724 -7.724 1.988) 11.103 17.376 ( 0.845 0.845 -2.923) 3.157 17.912 ( -7.888 -7.888 10.131) 15.069 21.180 ( 6.715 6.715 -11.622) 15.009 22.022 ( -0.481 -0.481 -4.316) 4.369 ======================= 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 ( 33.185 -13.734 6.161) 36.439 2.840 ( 22.559 10.934 31.635) 40.364 4.028 ( -7.710 -3.344 17.055) 19.013 4.747 ( 16.763 19.308 2.261) 25.669 5.013 ( 29.902 29.249 7.067) 42.421 5.800 ( -28.994 -34.545 1.205) 45.116 6.704 ( 1.036 1.743 -2.658) 3.343 7.661 ( -14.361 0.162 -4.596) 15.079 9.345 ( 9.940 4.697 -21.073) 23.769 10.131 ( -4.462 2.611 -8.148) 9.649 13.425 ( 0.682 1.188 21.341) 21.385 13.786 ( -2.996 5.370 14.004) 15.294 14.684 ( 11.468 1.436 3.006) 11.942 15.889 ( -12.217 -5.394 -0.242) 13.356 17.401 ( 1.536 0.283 -1.210) 1.976 17.746 ( -7.569 -5.503 8.513) 12.650 21.355 ( 9.430 0.574 -8.387) 12.634 21.980 ( -3.420 -1.612 -4.137) 5.605 ======================= 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| 2.724 ( 35.792 -18.467 -1.328) 40.297 3.323 ( 23.036 0.485 28.434) 36.598 3.807 ( -12.034 -4.548 18.180) 22.271 4.686 ( -26.650 -9.635 7.413) 29.292 5.503 ( 11.510 3.813 -2.446) 12.369 5.555 ( 12.204 8.285 4.549) 15.436 6.750 ( 4.790 3.163 -2.721) 6.353 7.316 ( -17.786 3.841 -3.964) 18.623 9.562 ( 10.678 4.695 -14.724) 18.785 9.993 ( -8.543 4.848 -9.303) 13.529 13.476 ( 3.937 4.491 18.206) 19.161 13.695 ( -5.293 7.000 15.057) 17.428 14.966 ( 14.843 -1.262 -1.617) 14.984 15.605 ( -14.599 -3.981 -2.792) 15.387 17.441 ( 2.360 -0.385 1.840) 3.017 17.605 ( -5.793 -3.264 6.613) 9.378 21.555 ( 9.369 -2.696 -6.446) 11.688 21.882 ( -5.833 -2.970 -4.422) 7.899 ======================= 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| 3.355 ( -22.163 -6.597 3.713) 23.420 3.355 ( 22.163 -6.597 3.713) 23.420 4.002 ( -31.972 -18.015 22.333) 42.959 4.002 ( 31.972 -18.015 22.333) 42.959 5.682 ( -3.313 9.199 -0.483) 9.789 5.682 ( 3.313 9.199 -0.483) 9.789 6.958 ( -14.889 5.230 -3.132) 16.089 6.958 ( 14.889 5.230 -3.132) 16.089 9.788 ( -10.637 5.415 -11.165) 16.344 9.788 ( 10.637 5.415 -11.165) 16.344 13.578 ( -5.522 6.484 16.279) 18.372 13.578 ( 5.522 6.484 16.279) 18.372 15.287 ( -15.533 -2.847 -3.426) 16.159 15.287 ( 15.533 -2.847 -3.426) 16.159 17.505 ( -3.826 -1.522 4.474) 6.080 17.505 ( 3.826 -1.522 4.474) 6.080 21.738 ( -7.892 -3.622 -5.194) 10.118 21.738 ( 7.892 -3.622 -5.194) 10.118 ======================= 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| 1.909 ( 9.392 9.392 8.423) 15.728 3.120 ( 14.707 14.707 30.566) 36.971 3.911 ( -8.069 -8.069 14.753) 18.651 5.020 ( -35.994 -35.994 6.497) 51.316 5.193 ( 19.870 19.870 -0.857) 28.114 5.576 ( 22.948 22.948 1.957) 32.513 6.733 ( 0.966 0.966 -2.491) 2.841 7.553 ( -9.619 -9.619 -4.383) 14.292 9.489 ( 8.773 8.773 -16.852) 20.926 10.153 ( -0.938 -0.938 -9.148) 9.244 13.483 ( 4.269 4.269 18.716) 19.665 13.862 ( 1.381 1.381 14.016) 14.151 14.761 ( 6.304 6.304 1.160) 8.990 15.727 ( -9.903 -9.903 1.248) 14.060 17.415 ( 0.957 0.957 -3.199) 3.474 17.632 ( -5.083 -5.083 5.926) 9.316 21.407 ( 4.209 4.209 -6.249) 8.631 21.914 ( -4.504 -4.504 -3.649) 7.341 ======================= 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| 2.337 ( 29.226 -14.326 3.198) 32.705 3.420 ( 11.523 5.784 26.345) 29.331 3.659 ( -15.863 -11.508 7.961) 21.152 4.270 ( -31.348 -22.816 22.561) 44.858 5.620 ( 18.499 13.028 -2.770) 22.795 5.929 ( 9.012 16.576 -2.556) 19.039 6.781 ( 5.218 -0.385 -2.313) 5.721 7.292 ( -14.436 -5.550 -3.946) 15.962 9.698 ( 10.698 8.010 -13.486) 18.987 10.082 ( -5.863 3.134 -10.108) 12.098 13.595 ( 6.186 6.701 16.842) 19.153 13.836 ( -3.621 5.871 14.729) 16.264 14.949 ( 11.269 0.075 -0.218) 11.271 15.487 ( -12.660 -7.253 0.450) 14.598 17.440 ( 1.463 0.262 -2.076) 2.553 17.540 ( -3.653 -2.736 3.056) 5.493 21.520 ( 6.285 -0.548 -4.828) 7.945 21.799 ( -6.260 -4.735 -3.562) 8.619 ======================= 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 ( -33.925 -22.686 -3.728) 40.982 3.029 ( 33.925 -22.686 -3.728) 40.982 3.785 ( -16.790 -3.145 33.342) 37.463 3.785 ( 16.790 -3.145 33.342) 37.463 5.920 ( -8.900 12.791 -3.666) 16.009 5.920 ( 8.900 12.791 -3.666) 16.009 6.987 ( -13.591 -2.394 -3.050) 14.133 6.987 ( 13.591 -2.394 -3.050) 14.133 9.916 ( -9.638 6.360 -11.367) 16.203 9.916 ( 9.638 6.360 -11.367) 16.203 13.729 ( -6.168 7.505 15.613) 18.389 13.729 ( 6.168 7.505 15.613) 18.389 15.211 ( -13.280 -4.254 -0.400) 13.951 15.211 ( 13.280 -4.254 -0.400) 13.951 17.478 ( -2.309 -0.903 0.301) 2.497 17.478 ( 2.309 -0.903 0.301) 2.497 21.660 ( -6.862 -3.569 -3.960) 8.690 21.660 ( 6.862 -3.569 -3.960) 8.690 ======================= 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| 2.233 ( 5.732 5.732 4.901) 9.472 3.155 ( -28.597 -28.597 -4.713) 40.716 3.618 ( 7.227 7.227 31.438) 33.057 3.938 ( -9.646 -9.646 33.665) 36.324 5.929 ( 14.839 14.839 -4.886) 21.547 6.200 ( 7.646 7.646 -6.013) 12.373 6.764 ( 0.629 0.629 -1.715) 1.932 7.113 ( -10.810 -10.810 -3.607) 15.707 9.877 ( 8.531 8.531 -12.283) 17.217 10.106 ( -1.151 -1.151 -10.756) 10.878 13.744 ( 7.062 7.062 15.882) 18.762 13.913 ( 0.926 0.926 14.950) 15.007 14.989 ( 4.166 4.166 0.619) 5.924 15.311 ( -9.155 -9.155 1.534) 13.038 17.450 ( 0.656 0.656 -3.373) 3.498 17.494 ( -1.689 -1.689 -0.196) 2.397 21.535 ( 1.927 1.927 -3.674) 4.574 21.694 ( -5.047 -5.047 -3.067) 7.769 ======================= 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| 2.566 ( -24.379 -18.324 1.107) 30.518 2.566 ( 24.379 -18.324 1.107) 30.518 3.773 ( -7.313 0.530 32.291) 33.113 3.773 ( 7.313 0.530 32.291) 33.113 6.187 ( -8.253 11.700 -6.410) 15.687 6.187 ( 8.253 11.700 -6.410) 15.687 6.881 ( -9.984 -6.769 -2.503) 12.319 6.881 ( 9.984 -6.769 -2.503) 12.319 10.032 ( -5.769 4.199 -11.401) 13.450 10.032 ( 5.769 4.199 -11.401) 13.450 13.871 ( -4.556 5.483 15.332) 16.908 13.871 ( 4.556 5.483 15.332) 16.908 15.123 ( -8.232 -3.652 1.263) 9.094 15.123 ( 8.232 -3.652 1.263) 9.094 17.467 ( -0.981 -0.267 -2.498) 2.697 17.467 ( 0.981 -0.267 -2.498) 2.697 21.598 ( -3.969 -2.189 -3.092) 5.487 21.598 ( 3.969 -2.189 -3.092) 5.487 ======================= 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| 2.359 ( 0.000 0.000 3.568) 3.568 2.359 ( 0.000 0.000 3.568) 3.568 3.781 ( 0.000 0.000 31.707) 31.707 3.781 ( 0.000 0.000 31.707) 31.707 6.338 ( 0.000 0.000 -8.511) 8.511 6.338 ( 0.000 0.000 -8.511) 8.511 6.780 ( 0.000 0.000 -1.184) 1.184 6.780 ( 0.000 0.000 -1.184) 1.184 10.078 ( 0.000 0.000 -11.395) 11.395 10.078 ( 0.000 0.000 -11.395) 11.395 13.933 ( 0.000 0.000 15.344) 15.344 13.933 ( 0.000 0.000 15.344) 15.344 15.081 ( 0.000 0.000 1.655) 1.655 15.081 ( 0.000 0.000 1.655) 1.655 17.464 ( 0.000 0.000 -3.430) 3.430 17.464 ( 0.000 0.000 -3.430) 3.430 21.574 ( 0.000 0.000 -2.788) 2.788 21.574 ( 0.000 0.000 -2.788) 2.788 ======================= 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| 1.346 ( -0.000 -0.000 33.416) 33.416 1.346 ( 0.000 0.000 33.416) 33.416 2.932 ( 0.000 0.000 73.044) 73.044 3.573 ( 0.000 0.000 24.634) 24.634 5.222 ( 0.000 0.000 41.127) 41.127 6.505 ( 0.000 0.000 -3.045) 3.045 6.505 ( 0.000 0.000 -3.045) 3.045 7.931 ( 0.000 0.000 -10.871) 10.871 7.931 ( 0.000 0.000 -10.871) 10.871 10.060 ( 0.000 0.000 -8.989) 8.989 14.073 ( -0.000 0.000 20.970) 20.970 14.073 ( -0.000 -0.000 20.970) 20.970 16.521 ( 0.000 0.000 5.320) 5.320 17.268 ( 0.000 0.000 -4.603) 4.603 17.268 ( 0.000 -0.000 -4.603) 4.603 18.338 ( 0.000 0.000 3.385) 3.385 19.427 ( 0.000 0.000 -1.697) 1.697 21.859 ( 0.000 0.000 -6.188) 6.188 ======================= 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| 1.540 ( 17.484 0.000 27.469) 32.561 1.655 ( 26.573 0.000 24.550) 36.178 3.174 ( 21.497 0.000 67.480) 70.822 3.704 ( 12.144 0.000 22.293) 25.386 5.179 ( -4.066 0.000 40.193) 40.398 6.509 ( 0.266 0.000 -2.785) 2.797 6.888 ( 25.790 0.000 -17.088) 30.938 7.826 ( -9.773 0.000 -9.426) 13.578 7.960 ( 5.029 0.000 -15.292) 16.098 10.046 ( -1.518 0.000 -9.537) 9.657 14.060 ( -1.245 0.000 21.225) 21.261 14.101 ( 2.403 0.000 20.626) 20.765 16.165 ( -64.592 0.000 23.630) 68.779 16.394 ( -10.966 0.000 0.729) 10.990 17.335 ( 5.429 0.000 -0.515) 5.453 18.557 ( -0.326 0.000 13.628) 13.632 19.946 ( 36.971 0.000 -24.972) 44.614 21.861 ( 0.140 0.000 -6.416) 6.418 ======================= 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| 2.029 ( 27.813 0.000 18.224) 33.252 2.332 ( 35.815 0.000 12.558) 37.953 3.742 ( 30.490 0.000 53.623) 61.686 4.052 ( 20.284 0.000 19.149) 27.895 5.052 ( -8.050 0.000 37.455) 38.310 6.506 ( -0.896 0.000 -2.174) 2.352 7.156 ( -1.985 0.000 -14.780) 14.913 7.541 ( -16.878 0.000 -5.618) 17.789 8.262 ( 22.331 0.000 -28.689) 36.356 9.985 ( -4.495 0.000 -10.703) 11.609 14.021 ( -2.388 0.000 21.889) 22.019 14.143 ( 0.149 0.000 23.114) 23.115 15.117 ( -32.875 0.000 25.407) 41.549 16.110 ( -15.252 0.000 -6.142) 16.442 17.458 ( 5.777 0.000 5.283) 7.828 18.411 ( -10.589 0.000 17.808) 20.718 20.625 ( 26.890 0.000 -25.182) 36.840 21.860 ( -0.350 0.000 -7.093) 7.101 ======================= 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| 2.651 ( 30.463 0.000 14.510) 33.742 3.088 ( 34.892 0.000 5.421) 35.311 4.347 ( 23.941 0.000 20.541) 31.545 4.550 ( 28.083 0.000 33.406) 43.642 4.847 ( -11.219 0.000 32.560) 34.438 6.451 ( -5.056 0.000 -0.865) 5.129 6.955 ( -13.949 0.000 -10.934) 17.724 7.146 ( -19.932 0.000 -0.745) 19.946 8.732 ( 20.597 0.000 -27.760) 34.566 9.853 ( -8.077 0.000 -11.931) 14.408 13.962 ( -3.120 0.000 22.733) 22.946 14.049 ( -8.114 0.000 30.928) 31.974 14.793 ( -0.922 0.000 5.527) 5.603 15.779 ( -15.983 0.000 -10.857) 19.322 17.571 ( 5.074 0.000 9.518) 10.786 18.175 ( -11.147 0.000 17.403) 20.667 21.095 ( 18.594 0.000 -19.156) 26.696 21.839 ( -1.871 0.000 -8.199) 8.410 ======================= 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| 3.264 ( 27.076 0.000 16.188) 31.546 3.703 ( 19.746 0.000 6.521) 20.795 4.627 ( -6.985 0.000 21.751) 22.845 4.687 ( 8.036 0.000 2.832) 8.520 5.186 ( 30.734 0.000 33.394) 45.384 6.249 ( -15.600 0.000 5.704) 16.610 6.672 ( -10.815 0.000 -8.533) 13.775 6.763 ( -14.763 0.000 0.448) 14.769 9.110 ( 15.702 0.000 -21.360) 26.510 9.653 ( -10.817 0.000 -13.481) 17.284 13.898 ( -2.732 0.000 23.714) 23.871 13.903 ( -4.569 0.000 28.668) 29.030 14.911 ( 9.770 0.000 -4.833) 10.900 15.452 ( -15.010 0.000 -12.290) 19.400 17.676 ( 5.211 0.000 12.434) 13.482 17.962 ( -9.028 0.000 16.137) 18.491 21.422 ( 12.855 0.000 -14.753) 19.567 21.774 ( -4.535 0.000 -9.742) 10.746 ======================= 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| 3.732 ( -15.097 0.000 17.561) 23.158 3.732 ( 15.097 0.000 17.561) 23.158 4.671 ( -7.348 0.000 3.619) 8.191 4.671 ( 7.348 0.000 3.619) 8.191 5.794 ( -26.498 0.000 19.950) 33.168 5.794 ( 26.498 0.000 19.950) 33.168 6.578 ( -2.458 0.000 -4.570) 5.189 6.578 ( 2.458 0.000 -4.570) 5.189 9.405 ( -12.812 0.000 -16.325) 20.752 9.405 ( 12.812 0.000 -16.325) 20.752 13.862 ( -0.300 0.000 25.410) 25.411 13.862 ( 0.300 0.000 25.410) 25.411 15.156 ( -13.127 0.000 -10.162) 16.600 15.156 ( 13.127 0.000 -10.162) 16.600 17.798 ( -6.646 0.000 14.521) 15.969 17.798 ( 6.646 0.000 14.521) 15.969 21.641 ( -8.240 0.000 -11.820) 14.409 21.641 ( 8.240 0.000 -11.820) 14.409 ======================= 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 ( 6.451 6.451 28.712) 30.127 2.017 ( 24.130 24.130 20.911) 40.023 3.413 ( 21.033 21.033 60.213) 67.159 3.830 ( 11.565 11.565 19.880) 25.743 5.144 ( -3.474 -3.474 39.460) 39.764 6.538 ( 1.411 1.411 -3.579) 4.098 6.998 ( 4.228 4.228 -15.585) 16.693 7.895 ( -1.925 -1.925 -10.322) 10.675 7.914 ( 7.116 7.116 -21.410) 23.657 10.037 ( -1.000 -1.000 -10.135) 10.234 14.075 ( -0.431 -0.431 20.942) 20.950 14.095 ( 1.031 1.031 21.296) 21.346 15.575 ( -36.489 -36.489 22.384) 56.248 16.486 ( -5.790 -5.790 10.407) 13.242 17.274 ( 0.303 0.303 -4.848) 4.867 18.520 ( -5.160 -5.160 16.557) 18.094 20.229 ( 21.931 21.931 -26.294) 40.661 21.874 ( 0.954 0.954 -6.881) 7.012 ======================= 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| 1.841 ( 24.762 -9.046 19.780) 32.958 2.590 ( 29.669 17.895 19.296) 39.659 3.955 ( 28.156 18.256 44.494) 55.729 4.162 ( 19.443 10.149 16.490) 27.440 5.034 ( -6.786 -1.762 36.134) 36.808 6.542 ( -1.577 2.788 -3.077) 4.441 6.892 ( -12.417 -19.307 -6.949) 23.984 7.712 ( -11.968 8.637 -9.610) 17.612 8.303 ( 22.877 5.276 -30.114) 38.185 9.991 ( -3.743 0.316 -11.404) 12.007 14.026 ( -3.470 -0.438 22.986) 23.251 14.131 ( 0.494 -0.337 23.161) 23.168 14.940 ( -20.446 -12.609 18.527) 30.336 16.213 ( -16.921 5.397 1.767) 17.848 17.368 ( 6.408 -6.458 0.214) 9.100 18.345 ( -10.490 -6.075 17.478) 21.271 20.697 ( 21.164 6.681 -22.228) 31.411 21.885 ( -0.230 1.744 -7.459) 7.664 ======================= 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 ( 31.883 -14.831 10.703) 36.757 3.220 ( 29.449 10.412 18.544) 36.326 4.466 ( 17.644 8.752 21.466) 29.133 4.581 ( 13.585 2.860 23.263) 27.090 4.937 ( 4.931 9.003 27.700) 29.540 6.384 ( -15.534 -12.286 2.754) 19.996 6.658 ( -5.971 -9.456 -4.379) 12.010 7.407 ( -16.784 11.554 -7.189) 21.608 8.759 ( 19.728 2.838 -27.280) 33.785 9.873 ( -7.563 1.703 -12.683) 14.864 13.940 ( -4.221 -1.857 25.758) 26.168 14.077 ( -4.901 2.798 26.474) 27.069 14.765 ( 1.889 -2.103 3.635) 4.605 15.845 ( -17.586 4.886 -6.017) 19.219 17.499 ( 5.904 -6.092 5.843) 10.301 18.116 ( -10.776 -5.386 16.332) 20.295 21.096 ( 16.870 0.540 -17.131) 24.049 21.858 ( -2.470 1.252 -8.125) 8.584 ======================= 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| 3.119 ( 30.497 -13.123 8.646) 34.308 3.744 ( 16.219 3.808 15.796) 22.958 4.487 ( -5.410 -10.001 26.425) 28.767 4.754 ( 3.091 5.439 2.742) 6.830 5.339 ( 23.004 10.870 21.251) 33.150 6.023 ( -15.700 -17.180 12.471) 26.404 6.603 ( 0.113 2.103 -4.767) 5.211 7.033 ( -18.043 12.922 -5.018) 22.753 9.127 ( 15.664 1.868 -21.290) 26.497 9.678 ( -10.820 2.363 -14.155) 17.973 13.879 ( -1.163 0.255 25.890) 25.918 13.972 ( -4.636 4.481 25.243) 26.054 14.912 ( 10.562 0.128 -4.417) 11.449 15.489 ( -16.152 3.045 -9.400) 18.935 17.618 ( 5.674 -5.166 9.685) 12.356 17.909 ( -8.852 -4.822 14.553) 17.703 21.405 ( 12.690 -1.286 -13.481) 18.558 21.777 ( -5.343 0.008 -9.261) 10.692 ======================= 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| 3.672 ( -19.992 -6.458 12.957) 24.684 3.672 ( 19.992 -6.458 12.957) 24.684 4.615 ( -13.312 -4.512 10.507) 17.549 4.615 ( 13.312 -4.512 10.507) 17.549 5.736 ( -14.419 -3.072 16.939) 22.456 5.736 ( 14.419 -3.072 16.939) 22.456 6.709 ( -11.061 9.656 -4.196) 15.271 6.709 ( 11.061 9.656 -4.196) 15.271 9.426 ( -13.109 2.144 -16.734) 21.365 9.426 ( 13.109 2.144 -16.734) 21.365 13.895 ( -2.501 3.063 25.021) 25.332 13.895 ( 2.501 3.063 25.021) 25.332 15.173 ( -13.953 1.450 -8.611) 16.460 15.173 ( 13.953 1.450 -8.611) 16.460 17.746 ( -6.764 -4.721 12.412) 14.903 17.746 ( 6.764 -4.721 12.412) 14.903 21.630 ( -8.795 -1.109 -10.991) 14.120 21.630 ( 8.795 -1.109 -10.991) 14.120 ======================= 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| 1.815 ( 8.047 8.047 20.703) 23.625 3.012 ( 21.949 21.949 25.944) 40.455 4.374 ( 17.204 17.204 32.984) 40.986 4.454 ( 17.108 17.108 9.776) 26.095 4.999 ( 0.372 0.372 27.878) 27.883 6.427 ( -22.981 -22.981 3.533) 32.692 6.606 ( 1.627 1.627 -4.385) 4.952 7.745 ( -5.488 -5.488 -9.086) 11.949 8.528 ( 15.106 15.106 -30.165) 36.963 9.982 ( -1.583 -1.583 -12.904) 13.096 13.973 ( -3.879 -3.879 26.344) 26.909 14.155 ( 1.737 1.737 22.114) 22.250 14.732 ( -5.564 -5.564 8.855) 11.846 16.189 ( -8.601 -8.601 7.287) 14.179 17.294 ( 0.643 0.643 -5.374) 5.451 18.175 ( -9.597 -9.597 15.949) 20.942 20.889 ( 11.045 11.045 -17.171) 23.212 21.905 ( -0.283 -0.283 -7.569) 7.580 ======================= 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 ( 24.556 -9.495 13.497) 29.586 3.483 ( 22.110 14.190 29.131) 39.228 4.477 ( -7.469 -6.603 28.113) 29.828 4.806 ( 13.936 16.235 4.035) 21.773 5.183 ( 15.756 11.436 8.942) 21.424 5.962 ( -18.572 -20.748 19.050) 33.739 6.634 ( 1.030 1.811 -4.428) 4.894 7.534 ( -13.563 0.286 -8.135) 15.819 8.868 ( 16.463 7.887 -25.812) 31.615 9.909 ( -5.613 1.285 -14.342) 15.454 13.908 ( -1.619 -0.634 26.200) 26.257 14.158 ( -1.870 4.429 23.261) 23.753 14.731 ( 5.196 -0.539 1.142) 5.348 15.905 ( -16.619 -0.730 2.284) 16.791 17.369 ( 5.302 -4.956 -2.011) 7.531 17.967 ( -9.788 -8.351 13.408) 18.583 21.137 ( 12.159 3.550 -13.338) 18.394 21.865 ( -3.497 -0.942 -7.506) 8.334 ======================= 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| 2.775 ( 31.513 -17.816 5.715) 36.649 3.824 ( 1.417 1.327 18.955) 19.055 4.269 ( -2.084 -9.413 26.068) 27.793 4.872 ( -9.813 4.051 10.622) 15.018 5.496 ( 13.638 1.125 4.639) 14.449 5.781 ( 0.168 0.041 21.124) 21.125 6.681 ( 4.823 3.628 -4.134) 7.315 7.211 ( -16.560 3.588 -6.469) 18.137 9.201 ( 15.171 5.488 -21.046) 26.518 9.745 ( -9.967 3.663 -15.683) 18.940 13.915 ( 2.162 3.218 24.936) 25.235 14.086 ( -4.508 6.234 23.806) 25.019 14.917 ( 11.765 0.331 -3.092) 12.169 15.544 ( -17.154 1.263 -2.961) 17.454 17.489 ( 5.958 -6.371 2.907) 9.194 17.776 ( -8.288 -7.349 10.374) 15.176 21.383 ( 11.147 -0.507 -10.779) 15.514 21.760 ( -6.475 -1.807 -7.944) 10.406 ======================= 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| 3.429 ( -29.188 -16.744 3.818) 33.865 3.429 ( 29.188 -16.744 3.818) 33.865 4.538 ( -18.501 -1.851 27.883) 33.514 4.538 ( 18.501 -1.851 27.883) 33.514 5.734 ( -7.364 3.142 8.632) 11.773 5.734 ( 7.364 3.142 8.632) 11.773 6.879 ( -13.851 5.198 -4.512) 15.467 6.879 ( 13.851 5.198 -4.512) 15.467 9.500 ( -13.183 4.841 -17.651) 22.556 9.500 ( 13.183 4.841 -17.651) 22.556 13.988 ( -4.468 5.705 24.189) 25.251 13.988 ( 4.468 5.705 24.189) 25.251 15.203 ( -15.199 1.013 -4.691) 15.939 15.203 ( 15.199 1.013 -4.691) 15.939 17.620 ( -6.726 -6.762 6.962) 11.808 17.620 ( 6.726 -6.762 6.962) 11.808 21.596 ( -9.073 -1.979 -9.038) 12.958 21.596 ( 9.073 -1.979 -9.038) 12.958 ======================= 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| 2.133 ( 6.890 6.890 14.023) 17.076 3.780 ( 11.945 11.945 30.335) 34.722 4.241 ( -14.461 -14.461 17.924) 27.194 5.179 ( 16.662 16.662 -0.242) 23.564 5.186 ( -10.992 -10.992 11.444) 19.303 5.786 ( 5.621 5.621 22.832) 24.177 6.666 ( 1.286 1.286 -4.187) 4.566 7.433 ( -9.157 -9.157 -7.720) 15.077 9.084 ( 12.226 12.226 -23.204) 28.937 9.905 ( -2.068 -2.068 -15.936) 16.202 13.927 ( 2.572 2.572 24.949) 25.213 14.233 ( 1.910 1.910 23.163) 23.320 14.766 ( 4.514 4.514 -1.013) 6.464 15.786 ( -10.282 -10.282 5.221) 15.450 17.325 ( 0.809 0.809 -5.852) 5.963 17.786 ( -8.518 -8.518 9.372) 15.263 21.242 ( 6.297 6.297 -10.220) 13.556 21.812 ( -4.087 -4.087 -6.750) 8.886 ======================= 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 ( 22.504 -11.088 8.478) 26.481 3.624 ( -25.735 -20.382 1.547) 32.865 4.230 ( 13.248 5.606 39.436) 41.978 4.859 ( -15.665 -4.749 34.327) 38.030 5.562 ( 16.947 8.414 -1.951) 19.021 5.925 ( 3.180 8.925 5.205) 10.810 6.720 ( 5.165 0.122 -3.730) 6.372 7.187 ( -13.441 -5.317 -6.596) 15.888 9.357 ( 13.284 9.078 -20.457) 26.026 9.812 ( -6.947 2.191 -17.180) 18.660 14.010 ( 5.076 5.757 24.062) 25.257 14.220 ( -3.039 5.960 23.462) 24.397 14.931 ( 10.914 1.310 -1.630) 11.112 15.513 ( -14.722 -4.513 2.577) 15.613 17.383 ( 4.128 -3.269 -3.701) 6.436 17.620 ( -7.186 -7.135 4.919) 11.258 21.390 ( 7.599 1.210 -8.189) 11.237 21.700 ( -6.410 -3.811 -6.517) 9.904 ======================= 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 ( -29.707 -20.918 1.883) 36.382 3.016 ( 29.707 -20.918 1.883) 36.382 4.539 ( -15.122 1.388 40.894) 43.622 4.539 ( 15.122 1.388 40.894) 43.622 5.852 ( -9.721 7.557 -1.442) 12.397 5.852 ( 9.721 7.557 -1.442) 12.397 6.908 ( -12.187 -2.187 -4.728) 13.253 6.908 ( 12.187 -2.187 -4.728) 13.253 9.619 ( -11.217 6.037 -18.487) 22.451 9.619 ( 11.217 6.037 -18.487) 22.451 14.125 ( -5.457 7.110 23.643) 25.284 14.125 ( 5.457 7.110 23.643) 25.284 15.202 ( -14.413 -1.252 -0.355) 14.472 15.202 ( 14.413 -1.252 -0.355) 14.472 17.486 ( -5.669 -5.563 0.446) 7.955 17.486 ( 5.669 -5.563 0.446) 7.955 21.551 ( -7.585 -2.181 -6.997) 10.547 21.551 ( 7.585 -2.181 -6.997) 10.547 ======================= 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| 2.372 ( 4.224 4.224 9.191) 10.962 3.114 ( -25.745 -25.745 0.109) 36.410 4.394 ( 8.734 8.734 44.763) 46.436 4.730 ( -6.943 -6.943 45.802) 46.843 5.797 ( 12.311 12.311 -8.310) 19.292 6.069 ( 3.285 3.285 -5.543) 7.233 6.718 ( 1.157 1.157 -2.948) 3.372 7.019 ( -9.824 -9.824 -5.699) 15.017 9.558 ( 9.470 9.470 -19.676) 23.801 9.818 ( -1.853 -1.853 -18.237) 18.424 14.144 ( 6.603 6.603 23.736) 25.506 14.303 ( 1.298 1.298 24.117) 24.187 14.995 ( 5.337 5.337 -0.292) 7.553 15.363 ( -9.266 -9.266 3.996) 13.700 17.356 ( 0.585 0.585 -6.136) 6.192 17.488 ( -5.364 -5.364 -0.409) 7.597 21.434 ( 2.973 2.973 -6.426) 7.679 21.608 ( -4.710 -4.710 -5.650) 8.735 ======================= 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| 2.626 ( -19.119 -14.574 5.171) 24.590 2.626 ( 19.119 -14.574 5.171) 24.590 4.573 ( -8.082 1.444 47.098) 47.808 4.573 ( 8.082 1.444 47.098) 47.808 6.020 ( -7.649 7.522 -9.813) 14.539 6.020 ( 7.649 7.522 -9.813) 14.539 6.818 ( -8.236 -5.318 -3.736) 10.492 6.818 ( 8.236 -5.318 -3.736) 10.492 9.730 ( -6.477 4.082 -18.972) 20.459 9.730 ( 6.477 4.082 -18.972) 20.459 14.266 ( -4.435 5.689 23.963) 25.025 14.266 ( 4.435 5.689 23.963) 25.025 15.157 ( -9.577 -2.568 2.164) 10.148 15.157 ( 9.577 -2.568 2.164) 10.148 17.398 ( -3.228 -2.776 -4.474) 6.176 17.398 ( 3.228 -2.776 -4.474) 6.176 21.512 ( -4.307 -1.439 -5.597) 7.208 21.512 ( 4.307 -1.439 -5.597) 7.208 ======================= 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| 2.464 ( 0.000 0.000 7.275) 7.275 2.464 ( 0.000 0.000 7.275) 7.275 4.589 ( 0.000 0.000 48.922) 48.922 4.589 ( 0.000 0.000 48.922) 48.922 6.113 ( 0.000 0.000 -13.947) 13.947 6.113 ( 0.000 0.000 -13.947) 13.947 6.747 ( 0.000 0.000 -2.198) 2.198 6.747 ( 0.000 0.000 -2.198) 2.198 9.775 ( 0.000 0.000 -19.125) 19.125 9.775 ( 0.000 0.000 -19.125) 19.125 14.332 ( 0.000 0.000 24.515) 24.515 14.332 ( 0.000 0.000 24.515) 24.515 15.124 ( 0.000 0.000 2.591) 2.591 15.124 ( 0.000 0.000 2.591) 2.591 17.369 ( 0.000 0.000 -6.223) 6.223 17.369 ( 0.000 0.000 -6.223) 6.223 21.496 ( 0.000 0.000 -5.114) 5.114 21.496 ( 0.000 0.000 -5.114) 5.114 ======================= 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| 1.973 ( -0.000 0.000 30.939) 30.939 1.973 ( 0.000 0.000 30.939) 30.939 4.124 ( 0.000 0.000 31.464) 31.464 4.310 ( -0.000 0.000 68.390) 68.390 6.090 ( 0.000 0.000 46.707) 46.707 6.431 ( 0.000 0.000 -4.758) 4.758 6.431 ( 0.000 0.000 -4.758) 4.758 7.693 ( 0.000 0.000 -13.027) 13.027 7.693 ( 0.000 0.000 -13.027) 13.027 9.842 ( -0.000 -0.000 -13.396) 13.396 14.534 ( -0.000 0.000 25.713) 25.713 14.534 ( -0.000 0.000 25.713) 25.713 16.641 ( 0.000 0.000 6.896) 6.896 17.163 ( -0.000 -0.000 -6.049) 6.049 17.163 ( -0.000 -0.000 -6.049) 6.049 18.404 ( 0.000 0.000 2.872) 2.872 19.399 ( 0.000 0.000 -0.775) 0.775 21.711 ( 0.000 0.000 -8.902) 8.902 ======================= 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| 2.078 ( 9.927 0.000 27.319) 29.067 2.156 ( 16.708 0.000 26.242) 31.110 4.203 ( 7.077 0.000 29.484) 30.321 4.483 ( 15.888 0.000 65.249) 67.155 5.972 ( -10.016 0.000 35.518) 36.904 6.483 ( 3.621 0.000 4.039) 5.425 6.622 ( 14.881 0.000 -11.771) 18.973 7.629 ( -6.006 0.000 -10.014) 11.677 7.689 ( 0.809 0.000 -13.084) 13.109 9.817 ( -2.434 0.000 -13.915) 14.126 14.524 ( -0.907 0.000 25.827) 25.843 14.552 ( 1.671 0.000 25.079) 25.135 16.398 ( -18.280 0.000 -0.358) 18.283 16.418 ( -49.396 0.000 5.802) 49.736 17.334 ( 11.768 0.000 0.587) 11.782 18.804 ( 12.518 0.000 11.306) 16.868 19.555 ( 20.651 0.000 -15.952) 26.095 21.709 ( -0.286 0.000 -9.117) 9.122 ======================= 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| 2.391 ( 19.933 0.000 18.877) 27.453 2.627 ( 27.060 0.000 17.127) 32.025 4.402 ( 11.365 0.000 23.776) 26.352 4.919 ( 24.200 0.000 58.368) 63.186 5.702 ( -15.522 0.000 23.237) 27.944 6.543 ( 1.526 0.000 9.501) 9.623 6.839 ( 1.724 0.000 -17.136) 17.223 7.452 ( -10.536 0.000 -1.956) 10.716 7.833 ( 14.950 0.000 -16.843) 22.521 9.735 ( -5.567 0.000 -14.949) 15.952 14.494 ( -2.004 0.000 25.932) 26.009 14.600 ( 2.738 0.000 23.973) 24.129 15.470 ( -38.436 0.000 11.895) 40.234 15.980 ( -20.565 0.000 -6.941) 21.704 17.569 ( 10.140 0.000 5.984) 11.774 18.765 ( -9.796 0.000 17.915) 20.419 20.155 ( 29.917 0.000 -22.749) 37.584 21.695 ( -1.181 0.000 -9.747) 9.818 ======================= 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| 2.895 ( 27.398 0.000 10.947) 29.504 3.243 ( 30.629 0.000 9.892) 32.186 4.643 ( 10.462 0.000 15.635) 18.813 5.327 ( -20.174 0.000 13.014) 24.007 5.442 ( 24.590 0.000 49.584) 55.347 6.532 ( -2.790 0.000 9.461) 9.864 6.718 ( -10.135 0.000 -12.262) 15.908 7.201 ( -13.137 0.000 9.053) 15.954 8.251 ( 22.161 0.000 -21.497) 30.875 9.581 ( -9.077 0.000 -15.834) 18.251 14.439 ( -3.197 0.000 25.155) 25.357 14.627 ( -3.764 0.000 28.330) 28.578 14.878 ( -14.555 0.000 3.141) 14.890 15.569 ( -18.124 0.000 -10.004) 20.702 17.758 ( 8.051 0.000 9.368) 12.352 18.523 ( -12.184 0.000 17.376) 21.222 20.709 ( 22.711 0.000 -19.703) 30.066 21.652 ( -3.092 0.000 -10.765) 11.200 ======================= 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| 3.499 ( 29.129 0.000 7.938) 30.191 3.853 ( 25.234 0.000 8.319) 26.570 4.771 ( -0.036 0.000 6.023) 6.024 4.876 ( -21.495 0.000 2.870) 21.686 5.911 ( 19.271 0.000 34.784) 39.766 6.422 ( -7.596 0.000 7.494) 10.670 6.543 ( -3.655 0.000 0.177) 3.659 6.913 ( -14.114 0.000 19.791) 24.308 8.694 ( 19.521 0.000 -20.884) 28.587 9.356 ( -12.377 0.000 -16.795) 20.862 14.368 ( -3.171 0.000 22.508) 22.731 14.426 ( -8.644 0.000 21.246) 22.938 14.858 ( 5.271 0.000 2.578) 5.868 15.237 ( -13.331 0.000 -8.069) 15.583 17.917 ( 7.439 0.000 11.820) 13.966 18.281 ( -10.608 0.000 15.847) 19.070 21.112 ( 15.906 0.000 -16.499) 22.918 21.557 ( -6.174 0.000 -12.171) 13.648 ======================= 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| 4.028 ( -15.684 0.000 12.262) 19.908 4.028 ( 15.684 0.000 12.262) 19.908 4.651 ( -5.834 0.000 -4.684) 7.482 4.651 ( 5.834 0.000 -4.684) 7.482 6.225 ( -11.298 0.000 12.500) 16.849 6.225 ( 11.298 0.000 12.500) 16.849 6.634 ( -11.131 0.000 20.461) 23.293 6.634 ( 11.131 0.000 20.461) 23.293 9.063 ( -15.700 0.000 -18.544) 24.297 9.063 ( 15.700 0.000 -18.544) 24.297 14.333 ( -0.622 0.000 19.718) 19.728 14.333 ( 0.622 0.000 19.718) 19.728 15.007 ( -8.867 0.000 -2.271) 9.153 15.007 ( 8.867 0.000 -2.271) 9.153 18.081 ( -8.507 0.000 13.923) 16.317 18.081 ( 8.507 0.000 13.923) 16.317 21.385 ( -10.435 0.000 -14.030) 17.485 21.385 ( 10.435 0.000 -14.030) 17.485 ======================= 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 ( 3.471 3.471 27.937) 28.365 2.418 ( 18.868 18.868 20.741) 33.796 4.288 ( 7.476 7.476 26.847) 28.854 4.630 ( 13.680 13.680 62.921) 65.828 5.896 ( -8.400 -8.400 32.220) 34.340 6.454 ( 1.006 1.006 -5.188) 5.380 6.773 ( 8.372 8.372 -3.761) 12.423 7.622 ( 0.581 0.581 -10.172) 10.206 7.668 ( -1.460 -1.460 -12.585) 12.753 9.797 ( -2.020 -2.020 -14.503) 14.782 14.524 ( -0.487 -0.487 24.747) 24.756 14.561 ( 1.238 1.238 25.839) 25.899 15.778 ( -31.957 -31.957 2.657) 45.272 16.719 ( -6.982 -6.982 12.128) 15.639 17.164 ( 0.069 0.069 -6.348) 6.349 18.845 ( -1.762 -1.762 16.508) 16.695 19.774 ( 20.324 20.324 -20.920) 35.549 21.716 ( 0.423 0.423 -9.395) 9.415 ======================= 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 ( 15.634 -6.015 21.827) 27.514 2.900 ( 26.505 19.352 14.322) 35.807 4.490 ( 11.235 7.883 21.295) 25.335 5.012 ( 21.219 8.513 56.438) 60.893 5.624 ( -16.670 -8.396 18.782) 26.479 6.504 ( 2.309 -1.706 -1.787) 3.382 6.821 ( -4.526 -3.023 4.446) 7.028 7.522 ( -8.771 5.279 -8.409) 13.248 7.848 ( 17.368 2.531 -17.607) 24.861 9.726 ( -4.929 -0.933 -15.692) 16.474 14.496 ( -2.166 -0.099 25.027) 25.120 14.604 ( 2.565 0.533 25.222) 25.358 15.155 ( -25.617 -19.730 4.491) 32.645 16.264 ( -26.243 16.019 2.936) 30.886 17.382 ( 12.672 -14.878 1.343) 19.589 18.694 ( -10.908 -6.841 17.547) 21.764 20.275 ( 24.636 10.590 -20.522) 33.767 21.715 ( -0.775 1.455 -9.919) 10.055 ======================= 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| 2.687 ( 25.055 -13.016 12.908) 31.045 3.490 ( 28.691 17.243 10.542) 35.095 4.723 ( 9.546 7.195 13.456) 17.999 5.195 ( -19.983 -11.625 13.064) 26.555 5.493 ( 20.081 3.530 41.588) 46.317 6.521 ( -0.766 -0.294 -0.250) 0.858 6.648 ( -10.018 -5.054 14.671) 18.470 7.291 ( -12.823 5.987 -1.988) 14.290 8.278 ( 21.633 2.884 -21.760) 30.819 9.585 ( -8.569 0.308 -16.672) 18.748 14.430 ( -4.149 -1.367 24.139) 24.531 14.610 ( -5.538 -1.123 26.340) 26.940 14.803 ( -4.082 -4.048 1.339) 5.903 15.744 ( -22.617 13.088 -3.879) 26.417 17.618 ( 9.904 -12.232 6.175) 16.906 18.442 ( -12.336 -7.380 16.288) 21.724 20.750 ( 20.298 3.842 -17.652) 27.173 21.674 ( -3.287 1.605 -10.576) 11.191 ======================= 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 -16.382 6.733) 34.321 4.022 ( 17.374 10.147 12.036) 23.445 4.690 ( -15.146 -9.796 -2.918) 18.272 4.894 ( -3.190 5.103 8.807) 10.667 5.890 ( 16.251 -1.813 31.870) 35.820 6.415 ( -10.182 -1.915 19.642) 22.207 6.544 ( 2.989 2.317 4.077) 5.561 7.004 ( -14.178 6.248 6.729) 16.892 8.710 ( 19.151 1.730 -21.044) 28.506 9.367 ( -12.217 1.089 -17.546) 21.408 14.350 ( -2.282 -0.781 19.987) 20.132 14.458 ( -6.288 2.781 21.261) 22.345 14.870 ( 6.650 1.208 3.813) 7.760 15.333 ( -16.462 8.006 -5.361) 19.074 17.808 ( 8.524 -9.850 9.383) 16.053 18.197 ( -10.858 -7.678 14.308) 19.534 21.122 ( 15.233 1.030 -15.043) 21.434 21.571 ( -6.626 1.015 -11.573) 13.375 ======================= 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| 3.868 ( -25.714 -14.042 6.955) 30.113 3.868 ( 25.714 -14.042 6.955) 30.113 4.723 ( -12.722 6.398 1.417) 14.311 4.723 ( 12.722 6.398 1.417) 14.311 6.179 ( -12.185 -3.309 20.705) 24.251 6.179 ( 12.185 -3.309 20.705) 24.251 6.718 ( -12.329 6.211 11.344) 17.868 6.718 ( 12.329 6.211 11.344) 17.868 9.075 ( -15.668 1.334 -19.010) 24.671 9.075 ( 15.668 1.334 -19.010) 24.671 14.359 ( -2.964 2.488 19.572) 19.951 14.359 ( 2.964 2.488 19.572) 19.951 15.051 ( -10.724 3.860 -1.323) 11.474 15.051 ( 10.724 3.860 -1.323) 11.474 17.989 ( -9.080 -8.406 11.977) 17.221 17.989 ( 9.080 -8.406 11.977) 17.221 21.392 ( -10.629 0.496 -13.038) 16.829 21.392 ( 10.629 0.496 -13.038) 16.829 ======================= 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 ( 4.816 4.816 21.661) 22.707 3.363 ( 24.211 24.211 12.388) 36.412 4.702 ( 11.579 11.579 15.727) 22.704 5.221 ( 3.041 3.041 45.479) 45.682 5.361 ( -8.582 -8.582 11.365) 16.627 6.508 ( 1.473 1.473 -5.699) 6.068 6.705 ( -7.417 -7.417 26.440) 28.444 7.543 ( -4.796 -4.796 -11.384) 13.251 8.027 ( 14.757 14.757 -20.929) 29.556 9.687 ( -3.073 -3.073 -17.266) 17.805 14.466 ( -3.364 -3.364 24.164) 24.628 14.632 ( 2.065 2.065 26.160) 26.323 14.817 ( -10.889 -10.889 0.445) 15.405 16.376 ( -9.657 -9.657 11.203) 17.664 17.172 ( 0.359 0.359 -6.989) 7.007 18.494 ( -11.632 -11.632 15.935) 22.903 20.552 ( 14.792 14.792 -16.702) 26.768 21.733 ( -0.196 -0.196 -9.973) 9.977 ======================= 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 -7.059 15.910) 24.288 3.879 ( 23.511 19.018 12.751) 32.819 4.815 ( -21.631 -16.318 0.434) 27.099 4.957 ( 7.657 7.188 10.101) 14.572 5.577 ( 13.745 4.315 38.539) 41.144 6.537 ( -6.207 -3.651 26.627) 27.583 6.540 ( -0.274 0.011 4.927) 4.934 7.361 ( -11.483 -0.492 -8.888) 14.530 8.393 ( 18.782 8.492 -22.377) 30.423 9.586 ( -6.729 -0.500 -18.588) 19.775 14.380 ( -3.289 -2.331 19.830) 20.236 14.625 ( -3.469 3.040 19.627) 20.162 14.756 ( 4.445 -1.064 7.862) 9.094 15.978 ( -23.146 6.549 4.947) 24.558 17.328 ( 10.533 -12.693 -1.990) 16.614 18.235 ( -12.528 -11.781 13.371) 21.784 20.865 ( 14.722 6.952 -13.885) 21.398 21.695 ( -3.573 -0.125 -9.866) 10.494 ======================= 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 ( 25.548 -15.818 8.330) 31.182 4.059 ( -18.654 -12.183 6.552) 23.224 4.565 ( 11.774 4.727 3.349) 13.122 5.068 ( -0.643 10.829 7.778) 13.349 5.846 ( 12.309 -2.361 31.566) 33.964 6.354 ( -10.004 -3.358 32.629) 34.293 6.617 ( 6.771 3.130 0.165) 7.461 7.094 ( -13.370 1.365 -3.691) 13.937 8.781 ( 17.799 5.343 -21.532) 28.443 9.400 ( -11.052 1.901 -19.412) 22.418 14.364 ( 1.842 2.491 18.152) 18.415 14.541 ( -4.504 5.190 19.824) 20.981 14.903 ( 9.193 1.639 5.938) 11.066 15.512 ( -20.331 7.619 0.290) 21.713 17.548 ( 10.150 -13.599 3.002) 17.233 17.983 ( -11.380 -12.085 10.273) 19.522 21.157 ( 12.894 2.288 -12.045) 17.793 21.583 ( -7.090 -0.286 -10.077) 12.324 ======================= 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| 3.499 ( -29.002 -19.903 3.167) 35.317 3.499 ( 29.002 -19.903 3.167) 35.317 4.902 ( -14.249 10.419 8.717) 19.687 4.902 ( 14.249 10.419 8.717) 19.687 6.111 ( -12.743 -3.160 27.534) 30.504 6.111 ( 12.743 -3.160 27.534) 30.504 6.822 ( -12.045 2.738 1.276) 12.418 6.822 ( 12.045 2.738 1.276) 12.418 9.126 ( -14.960 3.658 -20.280) 25.465 9.126 ( 14.960 3.658 -20.280) 25.465 14.440 ( -4.768 5.307 19.616) 20.873 14.440 ( 4.768 5.307 19.616) 20.873 15.147 ( -14.375 4.711 1.056) 15.164 15.147 ( 14.375 4.711 1.056) 15.164 17.758 ( -10.178 -12.760 6.863) 17.706 17.758 ( 10.178 -12.760 6.863) 17.706 21.400 ( -10.249 0.187 -10.806) 14.895 21.400 ( 10.249 0.187 -10.806) 14.895 ======================= 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| 2.429 ( 4.324 4.324 15.815) 16.956 4.127 ( -9.582 -9.582 7.485) 15.481 4.486 ( 2.916 2.916 3.740) 5.568 5.200 ( 11.592 11.592 2.861) 16.642 5.661 ( 3.614 3.614 39.416) 39.746 6.425 ( -5.554 -5.554 39.633) 40.404 6.575 ( 1.772 1.772 -5.093) 5.676 7.263 ( -8.253 -8.253 -9.497) 15.047 8.631 ( 13.689 13.689 -22.543) 29.714 9.549 ( -3.403 -3.403 -20.379) 20.940 14.373 ( 1.996 1.996 17.695) 17.919 14.725 ( 2.280 2.280 26.607) 26.801 14.740 ( 3.252 3.252 0.871) 4.681 15.931 ( -11.139 -11.139 9.492) 18.392 17.193 ( 0.611 0.611 -7.556) 7.605 17.974 ( -12.645 -12.645 9.371) 20.189 21.031 ( 8.570 8.570 -11.034) 16.390 21.658 ( -3.470 -3.470 -8.972) 10.226 ======================= 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 ( 16.265 -8.845 11.164) 21.620 3.637 ( -27.375 -23.735 0.165) 36.232 4.806 ( 18.110 14.777 14.895) 27.716 5.330 ( -1.767 13.836 5.999) 15.184 5.781 ( 9.768 -4.285 34.157) 35.784 6.279 ( -9.123 -4.003 31.326) 32.872 6.647 ( 5.836 -0.057 -3.090) 6.604 7.050 ( -11.286 -5.269 -7.010) 14.292 8.936 ( 14.662 9.125 -22.229) 28.149 9.433 ( -7.842 0.777 -21.417) 22.821 14.456 ( 5.466 6.075 19.175) 20.843 14.677 ( -3.665 7.677 19.648) 21.411 14.928 ( 11.547 0.681 5.953) 13.009 15.596 ( -18.510 -0.633 6.101) 19.499 17.301 ( 8.031 -8.557 -4.537) 12.582 17.719 ( -11.525 -12.521 4.877) 17.702 21.216 ( 8.930 3.313 -9.396) 13.379 21.553 ( -6.396 -2.570 -8.471) 10.921 ======================= 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 ( -24.444 -18.614 4.674) 31.078 3.084 ( 24.444 -18.614 4.674) 31.078 5.149 ( -13.706 12.809 15.215) 24.154 5.149 ( 13.706 12.809 15.215) 24.154 6.040 ( -13.077 -3.900 25.987) 29.352 6.040 ( 13.077 -3.900 25.987) 29.352 6.819 ( -10.140 -2.693 -3.579) 11.085 6.819 ( 10.140 -2.693 -3.579) 11.085 9.221 ( -12.167 5.026 -21.889) 25.542 9.221 ( 12.167 5.026 -21.889) 25.542 14.578 ( -5.625 7.668 20.612) 22.700 14.578 ( 5.625 7.668 20.612) 22.700 15.222 ( -16.351 1.848 3.829) 16.895 15.222 ( 16.351 1.848 3.829) 16.895 17.493 ( -10.020 -11.661 0.204) 15.376 17.493 ( 10.020 -11.661 0.204) 15.376 21.397 ( -8.224 -0.421 -8.600) 11.907 21.397 ( 8.224 -0.421 -8.600) 11.907 ======================= 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| 2.579 ( 2.631 2.631 11.694) 12.271 3.147 ( -21.874 -21.874 3.061) 31.086 5.126 ( 15.114 15.114 21.505) 30.320 5.628 ( 8.302 8.302 -8.433) 14.456 5.655 ( -2.025 -2.025 48.915) 48.999 6.161 ( -7.983 -7.983 22.216) 24.920 6.653 ( 1.781 1.781 -3.618) 4.408 6.901 ( -8.122 -8.122 -6.288) 13.094 9.139 ( 9.637 9.637 -22.888) 26.638 9.416 ( -2.660 -2.660 -22.742) 23.051 14.603 ( 7.390 7.390 21.535) 23.937 14.809 ( 1.559 1.559 27.043) 27.133 14.977 ( 7.169 7.169 -1.033) 10.191 15.475 ( -10.241 -10.241 7.833) 16.466 17.218 ( 0.499 0.499 -7.865) 7.897 17.477 ( -10.264 -10.264 -0.797) 14.537 21.294 ( 4.128 4.128 -7.768) 9.717 21.480 ( -4.169 -4.169 -7.406) 9.466 ======================= 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| 2.760 ( -14.249 -11.392 8.253) 20.023 2.760 ( 14.249 -11.392 8.253) 20.023 5.421 ( -12.730 12.526 27.071) 32.431 5.421 ( 12.730 12.526 27.071) 32.431 5.936 ( -13.127 -6.184 13.474) 19.802 5.936 ( 13.127 -6.184 13.474) 19.802 6.742 ( -6.421 -3.757 -3.972) 8.434 6.742 ( 6.421 -3.757 -3.972) 8.434 9.316 ( -6.839 3.531 -23.173) 24.418 9.316 ( 6.839 3.531 -23.173) 24.418 14.746 ( -5.752 7.622 23.445) 25.315 14.746 ( 5.752 7.622 23.445) 25.315 15.215 ( -13.278 -2.186 4.732) 14.265 15.215 ( 13.278 -2.186 4.732) 14.265 17.298 ( -6.552 -6.503 -5.629) 10.812 17.298 ( 6.552 -6.503 -5.629) 10.812 21.386 ( -4.582 -0.511 -7.142) 8.501 21.386 ( 4.582 -0.511 -7.142) 8.501 ======================= 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| 2.636 ( 0.000 0.000 10.104) 10.104 2.636 ( 0.000 0.000 10.104) 10.104 5.600 ( 0.000 0.000 53.582) 53.582 5.600 ( 0.000 0.000 53.582) 53.582 5.827 ( -0.000 -0.000 -14.636) 14.636 5.827 ( 0.000 0.000 -14.636) 14.636 6.697 ( 0.000 0.000 -2.892) 2.892 6.697 ( 0.000 0.000 -2.892) 2.892 9.355 ( 0.000 0.000 -23.652) 23.652 9.355 ( 0.000 0.000 -23.652) 23.652 14.844 ( 0.000 0.000 27.227) 27.227 14.844 ( 0.000 0.000 27.227) 27.227 15.175 ( -0.000 -0.000 2.511) 2.511 15.175 ( 0.000 0.000 2.511) 2.511 17.230 ( 0.000 0.000 -7.948) 7.948 17.230 ( 0.000 0.000 -7.948) 7.948 21.380 ( 0.000 0.000 -6.647) 6.647 21.380 ( 0.000 0.000 -6.647) 6.647 ======================= 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| 2.542 ( 0.000 0.000 27.409) 27.409 2.542 ( -0.000 0.000 27.409) 27.409 4.775 ( -0.000 -0.000 35.181) 35.181 5.577 ( 0.000 0.000 61.615) 61.615 6.306 ( 0.000 0.000 -8.657) 8.657 6.306 ( 0.000 0.000 -8.657) 8.657 6.986 ( 0.000 0.000 44.363) 44.363 7.454 ( -0.000 -0.000 -10.767) 10.767 7.454 ( -0.000 -0.000 -10.767) 10.767 9.539 ( -0.000 -0.000 -17.711) 17.711 15.043 ( -0.000 -0.000 26.067) 26.067 15.043 ( 0.000 0.000 26.067) 26.067 16.785 ( 0.000 0.000 7.894) 7.894 17.039 ( -0.000 -0.000 -6.608) 6.608 17.039 ( 0.000 0.000 -6.608) 6.608 18.427 ( -0.000 0.000 -1.099) 1.099 19.418 ( 0.000 0.000 3.212) 3.212 21.515 ( -0.000 -0.000 -11.291) 11.291 ======================= 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| 2.588 ( 4.611 0.000 24.947) 25.370 2.654 ( 10.555 0.000 24.585) 26.755 4.813 ( 3.308 0.000 33.146) 33.311 5.692 ( 10.634 0.000 57.059) 58.042 6.175 ( -11.976 0.000 -6.632) 13.690 6.401 ( 7.770 0.000 -10.328) 12.925 6.943 ( -3.602 0.000 29.763) 29.980 7.461 ( 1.458 0.000 -9.826) 9.934 7.508 ( 4.119 0.000 2.322) 4.729 9.506 ( -3.163 0.000 -18.066) 18.341 15.034 ( -0.949 0.000 25.961) 25.978 15.048 ( 0.432 0.000 25.376) 25.379 16.378 ( -25.037 0.000 -1.653) 25.092 16.462 ( -40.837 0.000 -0.328) 40.838 17.362 ( 17.506 0.000 2.349) 17.663 18.941 ( 33.450 0.000 -0.367) 33.452 19.355 ( -3.867 0.000 -1.881) 4.300 21.509 ( -0.591 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| 2.753 ( 11.619 0.000 18.105) 21.513 2.973 ( 19.466 0.000 17.851) 26.412 4.899 ( 4.490 0.000 27.197) 27.565 5.833 ( -20.041 0.000 -5.742) 20.847 5.973 ( 13.922 0.000 41.736) 43.997 6.556 ( 6.072 0.000 -4.635) 7.639 6.845 ( -5.829 0.000 13.222) 14.450 7.573 ( 10.478 0.000 -10.353) 14.730 7.584 ( 2.383 0.000 19.077) 19.225 9.408 ( -6.236 0.000 -18.619) 19.635 14.995 ( -3.200 0.000 24.687) 24.893 15.057 ( 0.053 0.000 22.310) 22.310 15.628 ( -35.842 0.000 5.622) 36.281 15.854 ( -23.784 0.000 -5.568) 24.427 17.685 ( 13.261 0.000 5.908) 14.518 19.081 ( -10.991 0.000 13.538) 17.438 19.756 ( 31.990 0.000 -17.397) 36.415 21.486 ( -1.758 0.000 -11.678) 11.810 ======================= 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| 3.087 ( 20.291 0.000 9.031) 22.210 3.448 ( 25.314 0.000 10.636) 27.458 4.976 ( 1.749 0.000 17.930) 18.015 5.356 ( -25.040 0.000 -6.943) 25.985 6.147 ( 1.311 0.000 6.635) 6.763 6.693 ( -8.764 0.000 4.840) 10.012 6.726 ( 12.353 0.000 28.823) 31.358 7.592 ( -1.764 0.000 29.755) 29.807 7.896 ( 19.011 0.000 -15.093) 24.274 9.244 ( -9.393 0.000 -18.615) 20.851 14.870 ( -9.387 0.000 16.069) 18.610 14.911 ( -19.418 0.000 0.818) 19.435 15.151 ( -3.692 0.000 25.076) 25.347 15.443 ( -14.060 0.000 -0.214) 14.061 17.926 ( 10.066 0.000 7.859) 12.771 18.817 ( -13.203 0.000 12.116) 17.920 20.359 ( 25.029 0.000 -15.532) 29.456 21.428 ( -3.920 0.000 -12.098) 12.717 ======================= 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| 3.586 ( 26.596 0.000 1.497) 26.638 4.001 ( 26.449 0.000 6.245) 27.176 4.799 ( -27.674 0.000 -8.469) 28.941 4.905 ( -9.998 0.000 6.806) 12.095 6.141 ( 1.565 0.000 -3.158) 3.525 6.483 ( -10.924 0.000 1.012) 10.971 7.032 ( 15.059 0.000 41.451) 44.102 7.505 ( -6.599 0.000 36.071) 36.669 8.313 ( 19.804 0.000 -17.822) 26.642 9.011 ( -12.941 0.000 -18.249) 22.372 14.570 ( -10.480 0.000 -1.743) 10.624 14.635 ( -10.949 0.000 2.262) 11.180 15.156 ( 1.488 0.000 23.180) 23.228 15.261 ( -4.727 0.000 12.858) 13.699 18.122 ( 9.050 0.000 9.128) 12.854 18.550 ( -11.990 0.000 11.309) 16.482 20.806 ( 17.808 0.000 -14.348) 22.870 21.313 ( -7.277 0.000 -12.654) 14.597 ======================= 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| 4.165 ( -26.805 0.000 0.115) 26.805 4.165 ( 26.805 0.000 0.115) 26.805 4.562 ( -20.277 0.000 -2.150) 20.390 4.562 ( 20.277 0.000 -2.150) 20.390 6.262 ( -9.241 0.000 -0.966) 9.291 6.262 ( 9.241 0.000 -0.966) 9.291 7.315 ( -11.484 0.000 40.092) 41.704 7.315 ( 11.484 0.000 40.092) 41.704 8.700 ( -16.800 0.000 -18.179) 24.753 8.700 ( 16.800 0.000 -18.179) 24.753 14.486 ( -2.167 0.000 -2.321) 3.175 14.486 ( 2.167 0.000 -2.321) 3.175 15.195 ( -2.261 0.000 19.548) 19.678 15.195 ( 2.261 0.000 19.548) 19.678 18.320 ( -10.046 0.000 10.246) 14.349 18.320 ( 10.046 0.000 10.246) 14.349 21.115 ( -11.886 0.000 -13.389) 17.904 21.115 ( 11.886 0.000 -13.389) 17.904 ======================= 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| 2.570 ( 1.248 1.248 25.170) 25.232 2.818 ( 12.796 12.796 20.163) 27.093 4.856 ( 3.701 3.701 31.235) 31.670 5.778 ( 7.125 7.125 47.365) 48.425 6.129 ( -10.077 -10.077 2.001) 14.391 6.326 ( 0.929 0.929 -8.363) 8.466 7.029 ( 5.447 5.447 20.786) 22.168 7.432 ( -1.278 -1.278 -10.947) 11.095 7.553 ( 3.396 3.396 7.727) 9.098 9.476 ( -2.883 -2.883 -18.505) 18.948 15.012 ( -1.381 -1.381 24.812) 24.889 15.071 ( 1.249 1.249 25.974) 26.034 15.771 ( -30.980 -30.980 -2.224) 43.868 16.936 ( -5.683 -5.683 10.194) 12.981 17.033 ( -0.189 -0.189 -6.909) 6.914 19.157 ( 2.927 2.927 15.613) 16.153 19.400 ( 15.856 15.856 -17.842) 28.656 21.512 ( 0.096 0.096 -11.526) 11.527 ======================= 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| 2.668 ( 8.490 -4.195 20.497) 22.579 3.171 ( 20.640 15.221 13.554) 29.007 4.949 ( 4.667 4.409 25.622) 26.414 5.671 ( -20.650 -14.491 -8.372) 26.580 6.078 ( 9.238 8.067 43.736) 45.423 6.423 ( 6.357 -5.660 0.731) 8.543 7.052 ( -4.648 13.196 7.447) 15.849 7.483 ( 5.935 -6.115 0.449) 8.534 7.649 ( 7.145 3.963 7.394) 11.020 9.385 ( -5.768 -2.120 -19.264) 20.221 14.974 ( -3.003 -1.671 23.387) 23.639 15.073 ( -5.743 -1.473 17.187) 18.181 15.193 ( -17.937 -19.910 6.018) 27.466 16.309 ( -31.683 24.013 1.523) 39.783 17.422 ( 17.285 -22.126 2.742) 28.211 18.995 ( -12.165 -8.150 12.320) 19.136 19.924 ( 26.688 14.177 -14.602) 33.563 21.503 ( -1.144 1.338 -11.736) 11.867 ======================= 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| 2.936 ( 17.131 -9.743 12.365) 23.266 3.663 ( 25.664 15.988 7.545) 31.164 5.002 ( -4.735 0.020 11.904) 12.811 5.194 ( -19.338 -12.163 -3.829) 23.164 6.193 ( 0.613 4.366 9.174) 10.179 6.611 ( 9.543 -2.406 25.627) 27.451 6.896 ( -6.729 9.397 7.159) 13.596 7.542 ( -0.972 -4.824 26.626) 27.077 7.927 ( 18.049 3.192 -12.574) 22.228 9.232 ( -8.920 -1.135 -19.429) 21.409 14.692 ( -15.524 -11.723 -1.552) 19.515 14.915 ( -5.671 0.046 17.107) 18.023 15.145 ( 1.333 1.179 25.151) 25.213 15.714 ( -23.616 18.895 1.494) 30.282 17.731 ( 12.652 -17.250 5.356) 22.053 18.717 ( -13.680 -9.156 11.270) 19.949 20.439 ( 22.049 7.014 -13.607) 26.842 21.454 ( -3.768 2.021 -11.890) 12.635 ======================= 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 ( 24.332 -14.574 4.250) 28.680 4.204 ( 23.579 13.653 6.332) 27.973 4.553 ( -25.670 -16.731 -9.595) 32.108 5.032 ( -8.116 7.024 6.506) 12.551 6.194 ( 1.965 4.666 -0.079) 5.064 6.550 ( -11.147 5.518 1.449) 12.522 7.015 ( 13.267 -1.783 37.829) 40.128 7.462 ( -6.400 -4.151 34.462) 35.296 8.329 ( 19.170 1.682 -17.345) 25.907 9.008 ( -12.560 -0.231 -18.961) 22.745 14.487 ( -3.873 -3.311 -3.108) 5.968 14.733 ( -11.166 5.141 6.730) 14.015 15.180 ( 2.052 2.260 23.039) 23.241 15.364 ( -9.979 9.068 10.457) 17.063 17.971 ( 10.620 -13.752 7.174) 18.798 18.440 ( -12.580 -10.122 10.151) 19.073 20.844 ( 16.648 3.395 -12.981) 21.382 21.339 ( -7.372 2.056 -12.099) 14.316 ======================= 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| 3.930 ( -27.797 -17.301 -0.812) 32.751 3.930 ( 27.797 -17.301 -0.812) 32.751 4.729 ( -20.017 11.404 0.260) 23.039 4.729 ( 20.017 11.404 0.260) 23.039 6.319 ( -9.495 4.972 -0.142) 10.719 6.319 ( 9.495 4.972 -0.142) 10.719 7.278 ( -11.011 -3.585 38.021) 39.745 7.278 ( 11.011 -3.585 38.021) 39.745 8.705 ( -16.379 0.601 -18.421) 24.657 8.705 ( 16.379 0.601 -18.421) 24.657 14.524 ( -6.954 3.646 -1.323) 7.963 14.524 ( 6.954 3.646 -1.323) 7.963 15.237 ( -3.629 3.786 18.886) 19.600 15.237 ( 3.629 3.786 18.886) 19.600 18.193 ( -10.982 -11.520 8.722) 18.150 18.193 ( 10.982 -11.520 8.722) 18.150 21.140 ( -11.699 2.157 -12.463) 17.230 21.140 ( 11.699 2.157 -12.463) 17.230 ======================= 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 ( 1.956 1.956 19.772) 19.965 3.558 ( 21.353 21.353 8.448) 31.358 5.062 ( 5.734 5.734 21.077) 22.583 5.251 ( -24.188 -24.188 -10.926) 35.909 6.277 ( 9.247 9.247 52.696) 54.295 6.381 ( 1.719 1.719 -7.405) 7.794 7.286 ( 2.786 2.786 22.454) 22.797 7.321 ( -4.244 -4.244 -10.827) 12.380 7.774 ( 8.901 8.901 1.749) 12.708 9.318 ( -4.409 -4.409 -20.592) 21.515 14.734 ( -16.108 -16.108 -2.651) 22.933 14.954 ( -1.298 -1.298 20.389) 20.471 15.142 ( 2.099 2.099 25.764) 25.935 16.598 ( -9.983 -9.983 11.275) 18.068 17.029 ( 0.050 0.050 -7.554) 7.555 18.761 ( -13.420 -13.420 10.840) 21.856 20.268 ( 17.329 17.329 -11.728) 27.169 21.522 ( -0.022 -0.022 -11.614) 11.614 ======================= 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| 2.767 ( 10.504 -5.577 14.861) 19.033 4.043 ( 24.079 19.640 5.040) 31.479 4.695 ( -27.530 -23.542 -9.699) 37.499 5.176 ( 4.045 5.792 13.551) 15.282 6.322 ( -1.304 7.597 10.999) 13.431 6.574 ( 11.979 -1.817 29.991) 32.346 7.063 ( -12.326 5.637 1.961) 13.695 7.392 ( 0.207 -9.288 23.623) 25.384 8.040 ( 15.774 7.719 -10.840) 20.638 9.196 ( -7.362 -2.421 -21.374) 22.736 14.497 ( -6.164 -5.851 -4.099) 9.436 14.922 ( -2.180 0.735 17.977) 18.124 15.188 ( 2.186 2.453 25.325) 25.537 16.085 ( -27.565 13.918 5.766) 31.413 17.296 ( 15.503 -21.156 -1.203) 26.255 18.460 ( -14.800 -14.642 9.275) 22.792 20.621 ( 16.060 9.754 -10.688) 21.617 21.488 ( -3.367 0.727 -11.189) 11.707 ======================= 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 ( 18.906 -12.883 7.738) 24.151 4.095 ( -27.163 -21.669 -2.870) 34.865 4.560 ( 22.340 15.621 -0.691) 27.268 5.189 ( -4.118 8.064 5.961) 10.841 6.316 ( 2.051 6.507 5.276) 8.625 6.665 ( -8.516 4.403 7.497) 12.170 6.953 ( 7.266 -4.110 27.796) 29.023 7.328 ( -5.847 -8.656 30.965) 32.680 8.393 ( 17.107 4.649 -17.036) 24.586 9.004 ( -11.086 -0.224 -21.004) 23.751 14.477 ( 4.021 2.734 -3.533) 6.011 14.834 ( -6.981 4.803 11.245) 14.080 15.239 ( 3.042 3.037 23.263) 23.657 15.590 ( -18.165 11.019 8.549) 22.901 17.599 ( 13.495 -20.049 2.211) 24.269 18.156 ( -14.019 -16.083 7.215) 22.522 20.934 ( 13.665 4.849 -10.468) 17.884 21.378 ( -7.179 1.221 -10.760) 12.993 ======================= 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 ( -24.866 -18.675 1.011) 31.114 3.541 ( 24.866 -18.675 1.011) 31.114 4.975 ( -15.962 11.959 1.246) 19.984 4.975 ( 15.962 11.959 1.246) 19.984 6.440 ( -9.609 5.931 3.057) 11.698 6.440 ( 9.609 5.931 3.057) 11.698 7.161 ( -9.791 -7.686 33.426) 35.668 7.161 ( 9.791 -7.686 33.426) 35.668 8.731 ( -14.803 2.043 -19.648) 24.684 8.731 ( 14.803 2.043 -19.648) 24.684 14.638 ( -10.184 7.228 1.164) 12.542 14.638 ( 10.184 7.228 1.164) 12.542 15.336 ( -7.099 5.203 17.682) 19.751 15.336 ( 7.099 5.203 17.682) 19.751 17.874 ( -13.043 -17.893 4.826) 22.661 17.874 ( 13.043 -17.893 4.826) 22.661 21.190 ( -10.685 2.270 -10.521) 15.166 21.190 ( 10.685 2.270 -10.521) 15.166 ======================= 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| 2.726 ( 2.140 2.140 14.320) 14.636 4.155 ( -25.154 -25.154 -4.066) 35.805 4.483 ( 20.087 20.087 -0.498) 28.411 5.304 ( 5.471 5.471 7.974) 11.111 6.470 ( 2.515 2.515 -5.644) 6.672 6.551 ( 3.635 3.635 48.122) 48.395 7.077 ( -7.072 -7.072 -9.273) 13.639 7.200 ( -5.812 -5.812 36.283) 37.202 8.250 ( 12.072 12.072 -14.318) 22.281 9.124 ( -4.659 -4.659 -23.149) 24.069 14.465 ( 2.796 2.796 -4.521) 6.006 14.943 ( 0.995 0.995 16.349) 16.410 15.238 ( 2.353 2.353 25.584) 25.799 16.141 ( -11.359 -11.359 11.666) 19.853 17.039 ( 0.409 0.409 -8.108) 8.128 18.132 ( -16.158 -16.158 6.522) 23.764 20.831 ( 10.078 10.078 -9.083) 16.900 21.470 ( -2.649 -2.649 -10.182) 10.849 ======================= 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 ( 11.038 -6.887 10.520) 16.732 3.631 ( -23.815 -21.612 -0.978) 32.175 4.901 ( 18.663 16.444 -0.454) 24.878 5.363 ( -0.991 8.135 1.718) 8.373 6.456 ( 0.490 6.721 9.079) 11.307 6.692 ( 2.583 -2.450 25.260) 25.509 6.865 ( -6.020 -3.509 9.177) 11.523 7.108 ( -5.383 -11.913 30.804) 33.463 8.523 ( 13.331 7.491 -19.044) 24.423 8.992 ( -8.036 -1.093 -23.582) 24.937 14.603 ( 9.746 9.055 -2.574) 13.550 14.942 ( -2.009 5.466 12.483) 13.774 15.295 ( 3.555 2.002 24.191) 24.533 15.759 ( -19.918 3.379 10.829) 22.922 17.212 ( 12.297 -14.713 -4.535) 19.704 17.799 ( -15.372 -17.298 3.181) 23.359 21.038 ( 9.558 4.995 -8.601) 13.794 21.378 ( -5.975 -1.276 -9.288) 11.117 ======================= 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 ( -18.715 -15.165 4.776) 24.557 3.180 ( 18.715 -15.165 4.776) 24.557 5.229 ( -11.729 12.132 -0.838) 16.896 5.229 ( 11.729 12.132 -0.838) 16.896 6.549 ( -8.221 4.171 8.076) 12.256 6.549 ( 8.221 4.171 8.076) 12.256 6.963 ( -7.997 -10.752 30.022) 32.877 6.963 ( 7.997 -10.752 30.022) 32.877 8.787 ( -11.471 3.011 -22.242) 25.206 8.787 ( 11.471 3.011 -22.242) 25.206 14.823 ( -9.430 10.158 4.172) 14.475 14.823 ( 9.430 10.158 4.172) 14.475 15.428 ( -10.536 2.934 17.392) 20.545 15.428 ( 10.536 2.934 17.392) 20.545 17.491 ( -14.051 -17.525 -0.486) 22.468 17.491 ( 14.051 -17.525 -0.486) 22.468 21.227 ( -8.293 1.182 -8.737) 12.104 21.227 ( 8.293 1.182 -8.737) 12.104 ======================= 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 ( 1.468 1.468 11.014) 11.208 3.218 ( -17.212 -17.212 3.782) 24.633 5.230 ( 14.340 14.340 -2.839) 20.478 5.498 ( 3.561 3.561 -4.236) 6.581 6.580 ( 2.409 2.409 -3.840) 5.134 6.620 ( 0.342 0.342 49.154) 49.156 6.782 ( -6.166 -6.166 -5.818) 10.483 6.870 ( -8.893 -8.893 42.428) 44.253 8.691 ( 8.076 8.076 -22.535) 25.264 8.947 ( -3.446 -3.446 -25.260) 25.726 14.837 ( 12.395 12.395 0.266) 17.532 15.051 ( 4.154 4.154 10.157) 11.734 15.326 ( 1.621 1.621 25.490) 25.593 15.683 ( -10.100 -10.100 13.807) 19.865 17.058 ( 0.426 0.426 -8.374) 8.396 17.455 ( -15.064 -15.064 -1.454) 21.353 21.142 ( 4.881 4.881 -7.703) 10.343 21.327 ( -3.451 -3.451 -8.165) 9.512 ======================= 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 ( -10.119 -8.461 8.449) 15.665 2.928 ( 10.119 -8.461 8.449) 15.665 5.465 ( -7.036 9.577 -5.866) 13.253 5.465 ( 7.036 9.577 -5.866) 13.253 6.612 ( -4.830 1.938 13.802) 14.751 6.612 ( 4.830 1.938 13.802) 14.751 6.740 ( -5.109 -9.423 29.421) 31.312 6.740 ( 5.109 -9.423 29.421) 31.312 8.844 ( -6.302 2.178 -24.980) 25.855 8.844 ( 6.302 2.178 -24.980) 25.855 15.050 ( -5.709 10.968 6.223) 13.842 15.050 ( 5.709 10.968 6.223) 13.842 15.436 ( -10.279 -2.546 18.997) 21.749 15.436 ( 10.279 -2.546 18.997) 21.749 17.185 ( -10.299 -10.762 -5.922) 16.030 17.185 ( 10.299 -10.762 -5.922) 16.030 21.241 ( -4.555 0.313 -7.605) 8.870 21.241 ( 4.555 0.313 -7.605) 8.870 ======================= 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 9.992) 9.992 2.838 ( 0.000 0.000 9.992) 9.992 5.579 ( 0.000 0.000 -9.973) 9.973 5.579 ( 0.000 0.000 -9.973) 9.973 6.622 ( 0.000 0.000 50.614) 50.614 6.622 ( 0.000 0.000 50.614) 50.614 6.638 ( 0.000 0.000 -3.156) 3.156 6.638 ( 0.000 0.000 -3.156) 3.156 8.869 ( 0.000 0.000 -26.126) 26.126 8.869 ( 0.000 0.000 -26.126) 26.126 15.216 ( 0.000 0.000 1.642) 1.642 15.216 ( 0.000 0.000 1.642) 1.642 15.361 ( -0.000 -0.000 25.457) 25.457 15.361 ( 0.000 0.000 25.457) 25.457 17.068 ( 0.000 0.000 -8.429) 8.429 17.068 ( 0.000 0.000 -8.429) 8.429 21.244 ( 0.000 0.000 -7.225) 7.225 21.244 ( 0.000 0.000 -7.225) 7.225 ======================= 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| 3.034 ( -0.000 0.000 23.100) 23.100 3.034 ( 0.000 0.000 23.100) 23.100 5.477 ( 0.000 0.000 36.657) 36.657 6.084 ( -0.000 0.000 -13.989) 13.989 6.084 ( 0.000 0.000 -13.989) 13.989 6.689 ( 0.000 0.000 52.496) 52.496 7.298 ( -0.000 -0.000 -5.096) 5.096 7.298 ( 0.000 0.000 -5.096) 5.096 7.776 ( 0.000 0.000 36.036) 36.036 9.154 ( 0.000 0.000 -21.898) 21.898 15.523 ( 0.000 0.000 22.728) 22.728 15.523 ( -0.000 0.000 22.728) 22.728 16.913 ( 0.000 0.000 -6.181) 6.181 16.913 ( 0.000 0.000 -6.181) 6.181 16.947 ( 0.000 0.000 8.902) 8.902 18.346 ( 0.000 0.000 -7.274) 7.274 19.537 ( 0.000 0.000 9.118) 9.118 21.275 ( 0.000 0.000 -13.357) 13.357 ======================= 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| 3.040 ( 0.856 0.000 21.473) 21.490 3.100 ( 6.417 0.000 21.173) 22.124 5.473 ( -0.845 0.000 33.831) 33.842 5.961 ( -11.517 0.000 -14.131) 18.230 6.056 ( -1.465 0.000 -13.106) 13.188 6.836 ( 12.380 0.000 48.625) 50.176 7.171 ( -9.270 0.000 0.515) 9.285 7.320 ( 2.563 0.000 -4.372) 5.068 7.917 ( 10.174 0.000 31.061) 32.685 9.117 ( -3.489 0.000 -21.990) 22.265 15.509 ( -1.610 0.000 22.330) 22.388 15.514 ( -1.037 0.000 22.043) 22.068 16.340 ( -28.933 0.000 -2.048) 29.005 16.430 ( -35.386 0.000 -2.525) 35.476 17.428 ( 20.766 0.000 4.418) 21.231 18.779 ( 30.342 0.000 -13.098) 33.049 19.485 ( -3.998 0.000 12.025) 12.672 21.269 ( -0.621 0.000 -13.288) 13.302 ======================= 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| 3.088 ( 4.387 0.000 16.347) 16.926 3.303 ( 12.938 0.000 15.860) 20.468 5.419 ( -4.559 0.000 23.339) 23.780 5.624 ( -19.965 0.000 -13.922) 24.340 6.047 ( 0.275 0.000 -10.409) 10.412 6.969 ( -9.845 0.000 2.590) 10.180 7.135 ( 14.665 0.000 38.428) 41.131 7.442 ( 10.170 0.000 1.231) 10.245 8.111 ( 7.225 0.000 29.533) 30.404 9.017 ( -5.766 0.000 -21.241) 22.010 15.400 ( -12.347 0.000 14.551) 19.083 15.415 ( -14.333 0.000 12.483) 19.007 15.747 ( -21.320 0.000 8.712) 23.031 15.802 ( -18.063 0.000 2.322) 18.211 17.799 ( 14.870 0.000 5.954) 16.018 19.158 ( -3.045 0.000 -9.236) 9.725 19.610 ( 23.356 0.000 6.002) 24.115 21.245 ( -1.752 0.000 -13.021) 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| 3.251 ( 11.581 0.000 7.892) 14.015 3.637 ( 18.607 0.000 8.370) 20.403 5.152 ( -24.459 0.000 -12.524) 27.479 5.270 ( -10.085 0.000 8.741) 13.346 6.059 ( 1.161 0.000 -2.110) 2.408 6.753 ( -10.921 0.000 2.481) 11.200 7.421 ( 13.086 0.000 18.314) 22.508 7.751 ( 17.978 0.000 13.806) 22.668 8.193 ( 0.369 0.000 27.056) 27.058 8.883 ( -7.038 0.000 -16.475) 17.915 14.911 ( -24.658 0.000 -0.592) 24.665 14.976 ( -22.863 0.000 -2.232) 22.972 15.600 ( -1.044 0.000 20.754) 20.780 15.635 ( -2.302 0.000 16.706) 16.864 18.063 ( 10.748 0.000 6.378) 12.498 18.960 ( -12.020 0.000 1.786) 12.152 20.143 ( 23.814 0.000 -5.847) 24.521 21.188 ( -3.847 0.000 -12.471) 13.051 ======================= 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| 3.578 ( 19.354 0.000 -1.789) 19.436 4.058 ( 20.166 0.000 -1.490) 20.221 4.628 ( -24.169 0.000 -7.205) 25.221 4.985 ( -17.038 0.000 0.306) 17.040 6.122 ( 5.358 0.000 3.798) 6.568 6.514 ( -11.593 0.000 2.766) 11.918 7.695 ( 12.878 0.000 10.995) 16.934 8.128 ( -6.263 0.000 20.192) 21.141 8.136 ( 17.752 0.000 13.100) 22.062 8.713 ( -9.509 0.000 -6.280) 11.396 14.512 ( -12.659 0.000 -3.237) 13.066 14.569 ( -14.647 0.000 -5.598) 15.680 15.596 ( 0.281 0.000 20.937) 20.938 15.612 ( -0.499 0.000 19.509) 19.515 18.269 ( 9.362 0.000 6.053) 11.148 18.704 ( -11.872 0.000 4.340) 12.641 20.575 ( 17.471 0.000 -8.933) 19.622 21.075 ( -7.160 0.000 -11.637) 13.664 ======================= 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 ( -22.558 0.000 -11.384) 25.268 4.033 ( 22.558 0.000 -11.384) 25.268 4.583 ( -19.730 0.000 2.473) 19.884 4.583 ( 19.730 0.000 2.473) 19.884 6.284 ( -9.822 0.000 3.953) 10.588 6.284 ( 9.822 0.000 3.953) 10.588 7.946 ( -10.705 0.000 13.246) 17.031 7.946 ( 10.705 0.000 13.246) 17.031 8.470 ( -13.847 0.000 4.880) 14.682 8.470 ( 13.847 0.000 4.880) 14.682 14.395 ( -1.536 0.000 -5.215) 5.436 14.395 ( 1.536 0.000 -5.215) 5.436 15.604 ( -0.382 0.000 20.443) 20.447 15.604 ( 0.382 0.000 20.443) 20.447 18.472 ( -10.264 0.000 5.399) 11.598 18.472 ( 10.264 0.000 5.399) 11.598 20.880 ( -11.731 0.000 -10.526) 15.761 20.880 ( 11.731 0.000 -10.526) 15.761 ======================= 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 ( -0.504 -0.504 21.403) 21.415 3.190 ( 7.737 7.737 17.970) 21.039 5.481 ( 0.263 0.263 32.205) 32.207 5.764 ( -13.856 -13.856 -16.968) 25.921 6.125 ( 1.835 1.835 -11.634) 11.920 6.919 ( 8.095 8.095 49.420) 50.729 7.189 ( -0.775 -0.775 0.793) 1.353 7.265 ( -1.704 -1.704 -5.956) 6.425 8.009 ( 7.272 7.272 30.801) 32.473 9.080 ( -3.402 -3.402 -22.233) 22.748 15.466 ( -2.546 -2.546 21.426) 21.727 15.547 ( 1.107 1.107 22.513) 22.568 15.716 ( -31.415 -31.415 -3.081) 44.534 16.902 ( -0.430 -0.430 -6.443) 6.472 17.119 ( -4.330 -4.330 8.773) 10.699 19.064 ( 17.254 17.254 -16.377) 29.387 19.463 ( 1.304 1.304 15.583) 15.691 21.270 ( 0.045 0.045 -13.247) 13.247 ======================= 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| 3.041 ( 2.702 -3.121 17.747) 18.221 3.421 ( 14.329 10.054 12.069) 21.261 5.375 ( -17.885 -11.235 -7.306) 22.349 5.491 ( -5.027 -3.197 15.983) 17.057 6.135 ( -0.225 5.636 -9.201) 10.792 7.031 ( -8.114 6.072 6.053) 11.805 7.167 ( 10.820 2.773 32.865) 34.711 7.383 ( 11.085 -5.238 -0.442) 12.268 8.158 ( 5.852 3.968 31.119) 31.912 8.983 ( -5.622 -3.185 -21.946) 22.878 15.085 ( -26.967 -23.053 -3.376) 35.638 15.391 ( -5.419 -2.052 18.754) 19.629 15.580 ( 1.224 0.245 21.701) 21.737 16.326 ( -30.894 26.650 0.534) 40.804 17.486 ( 18.795 -26.285 3.819) 32.539 19.104 ( -9.235 -6.538 -2.685) 11.629 19.777 ( 23.246 14.445 1.150) 27.392 21.263 ( -1.018 1.393 -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| 3.160 ( 9.131 -6.564 10.614) 15.464 3.783 ( 19.727 11.879 4.591) 23.481 4.913 ( -24.021 -16.944 -11.969) 31.738 5.374 ( -8.054 5.199 12.215) 15.527 6.132 ( 0.443 5.969 -3.504) 6.936 6.811 ( -11.711 5.131 0.244) 12.788 7.412 ( 11.926 -0.791 19.682) 23.027 7.693 ( 16.852 -5.070 11.070) 20.791 8.227 ( 0.650 2.828 28.563) 28.710 8.852 ( -6.791 -2.841 -17.785) 19.248 14.616 ( -17.065 -14.252 -4.599) 22.704 15.170 ( -17.133 5.794 7.730) 19.669 15.603 ( 0.933 1.537 21.514) 21.589 15.825 ( -14.486 15.615 9.716) 23.410 17.825 ( 13.799 -20.983 4.266) 25.474 18.856 ( -13.172 -9.584 2.626) 16.500 20.249 ( 20.812 9.007 -5.337) 23.297 21.218 ( -3.451 2.422 -12.272) 12.976 ======================= 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| 3.433 ( 16.791 -10.705 1.769) 19.992 4.183 ( 9.947 5.168 -10.214) 15.165 4.443 ( -12.383 -9.079 0.954) 15.384 5.129 ( -15.496 9.299 2.221) 18.208 6.180 ( 4.623 5.075 2.019) 7.155 6.559 ( -11.915 4.057 1.131) 12.638 7.666 ( 11.999 -2.748 13.161) 18.020 7.981 ( 5.685 -8.142 15.010) 17.997 8.241 ( 5.037 4.229 16.830) 18.070 8.690 ( -8.975 -2.142 -8.022) 12.227 14.391 ( -4.151 -4.272 -5.343) 8.002 14.754 ( -19.276 10.257 -2.037) 21.930 15.620 ( 0.722 2.223 21.016) 21.145 15.671 ( -2.981 5.422 17.831) 18.874 18.084 ( 11.414 -16.720 4.499) 20.738 18.579 ( -12.922 -11.494 4.068) 17.767 20.636 ( 15.990 5.162 -8.136) 18.668 21.110 ( -6.981 2.906 -11.228) 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 ( -22.086 -14.115 -6.961) 27.120 3.847 ( 22.086 -14.115 -6.961) 27.120 4.741 ( -20.681 11.651 0.560) 23.744 4.741 ( 20.681 11.651 0.560) 23.744 6.330 ( -9.466 4.120 2.581) 10.642 6.330 ( 9.466 4.120 2.581) 10.642 7.896 ( -9.371 -4.573 14.624) 17.961 7.896 ( 9.371 -4.573 14.624) 17.961 8.467 ( -12.248 -0.398 3.010) 12.618 8.467 ( 12.248 -0.398 3.010) 12.618 14.445 ( -9.170 4.795 -4.904) 11.451 14.445 ( 9.170 4.795 -4.904) 11.451 15.636 ( -0.939 2.943 20.089) 20.326 15.636 ( 0.939 2.943 20.089) 20.326 18.322 ( -11.638 -13.694 4.457) 18.516 18.322 ( 11.638 -13.694 4.457) 18.516 20.920 ( -11.249 3.465 -9.902) 15.382 20.920 ( 11.249 3.465 -9.902) 15.382 ======================= 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 ( -0.743 -0.743 16.764) 16.797 3.700 ( 16.202 16.202 6.029) 23.693 4.989 ( -21.855 -21.855 -14.691) 34.222 5.497 ( 0.383 0.383 22.397) 22.404 6.227 ( 2.931 2.931 -7.482) 8.553 7.142 ( -4.271 -4.271 -7.280) 9.460 7.241 ( 6.194 6.194 42.471) 43.365 7.322 ( 6.225 6.225 -3.568) 9.499 8.245 ( 3.630 3.630 32.954) 33.352 8.891 ( -5.298 -5.298 -23.216) 24.395 14.646 ( -17.394 -17.394 -4.989) 25.099 15.338 ( -3.161 -3.161 17.884) 18.435 15.611 ( 1.906 1.906 22.012) 22.176 16.805 ( -9.654 -9.654 9.874) 16.849 16.886 ( -0.239 -0.239 -7.010) 7.018 18.889 ( -13.174 -13.174 1.944) 18.732 20.124 ( 17.166 17.166 -2.582) 24.413 21.286 ( 0.435 0.435 -12.540) 12.555 ======================= 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 -4.954 12.328) 14.123 4.075 ( 17.742 14.365 -2.417) 22.956 4.517 ( -21.202 -18.978 -6.920) 29.284 5.465 ( -3.986 3.352 14.786) 15.677 6.265 ( 1.181 5.963 -4.608) 7.628 6.928 ( -12.527 4.440 -4.295) 13.967 7.397 ( 8.413 -0.334 24.849) 26.237 7.577 ( 13.897 -4.527 6.909) 16.167 8.290 ( 0.611 2.666 29.544) 29.671 8.769 ( -6.228 -4.859 -21.456) 22.864 14.389 ( -6.725 -6.794 -5.890) 11.228 15.233 ( -8.108 1.220 13.032) 15.397 15.649 ( 1.622 2.522 21.631) 21.838 16.199 ( -25.776 17.751 5.957) 31.859 17.284 ( 18.237 -27.901 0.017) 33.333 18.582 ( -15.536 -15.850 3.185) 22.422 20.467 ( 15.326 10.907 -4.918) 19.443 21.266 ( -2.601 1.604 -11.558) 11.956 ======================= 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 ( 12.110 -9.879 5.606) 16.603 3.965 ( -21.525 -17.867 -9.430) 29.521 4.578 ( 20.164 14.076 2.234) 24.692 5.308 ( -11.350 7.547 5.613) 14.740 6.308 ( 3.734 6.527 -0.900) 7.573 6.662 ( -12.216 5.020 -2.154) 13.382 7.590 ( 9.585 -4.106 19.627) 22.225 7.802 ( 5.308 -8.417 14.427) 17.526 8.310 ( 3.186 2.377 14.200) 14.746 8.627 ( -7.599 -3.823 -13.477) 15.937 14.373 ( 5.202 2.805 -5.838) 8.308 14.958 ( -17.445 8.983 2.380) 19.766 15.679 ( 1.373 3.159 20.958) 21.239 15.828 ( -9.767 9.002 14.359) 19.561 17.632 ( 15.273 -24.718 1.115) 29.077 18.255 ( -15.387 -18.503 2.967) 24.247 20.762 ( 12.823 6.397 -6.947) 15.925 21.172 ( -6.363 2.468 -10.218) 12.287 ======================= 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| 3.534 ( -18.633 -14.809 -1.736) 23.865 3.534 ( 18.633 -14.809 -1.736) 23.865 4.993 ( -18.218 11.828 0.812) 21.736 4.993 ( 18.218 11.828 0.812) 21.736 6.438 ( -8.723 5.650 -0.228) 10.395 6.438 ( 8.723 5.650 -0.228) 10.395 7.771 ( -6.685 -6.863 19.110) 21.377 7.771 ( 6.685 -6.863 19.110) 21.377 8.450 ( -8.787 -1.238 -2.615) 9.251 8.450 ( 8.787 -1.238 -2.615) 9.251 14.594 ( -15.213 9.267 -3.871) 18.229 14.594 ( 15.213 9.267 -3.871) 18.229 15.716 ( -2.603 4.356 19.310) 19.966 15.716 ( 2.603 4.356 19.310) 19.966 17.941 ( -14.654 -21.421 2.117) 26.040 17.941 ( 14.654 -21.421 2.117) 26.040 21.001 ( -9.878 3.769 -8.693) 13.688 21.001 ( 9.878 3.769 -8.693) 13.688 ======================= 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 ( -0.093 -0.093 11.073) 11.074 4.004 ( -19.655 -19.655 -10.158) 29.594 4.510 ( 16.934 16.934 2.856) 24.117 5.502 ( -0.198 -0.198 11.738) 11.741 6.365 ( 3.575 3.575 -4.535) 6.792 6.917 ( -6.074 -6.074 -6.883) 11.008 7.417 ( 2.791 2.791 31.026) 31.276 7.569 ( 3.764 3.764 7.051) 8.834 8.325 ( 0.684 0.684 24.554) 24.573 8.658 ( -5.616 -5.616 -24.676) 25.923 14.348 ( 3.015 3.015 -6.345) 7.645 15.233 ( -1.590 -1.590 12.556) 12.755 15.700 ( 2.195 2.195 21.472) 21.695 16.372 ( -10.361 -10.361 11.797) 18.811 16.886 ( 0.234 0.234 -7.477) 7.485 18.220 ( -18.180 -18.180 2.503) 25.832 20.689 ( 10.151 10.151 -5.371) 15.328 21.269 ( -1.570 -1.570 -10.368) 10.602 ======================= 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 ( 6.644 -5.627 7.416) 11.437 3.591 ( -18.493 -17.008 -3.214) 25.330 4.888 ( 17.830 14.902 0.173) 23.238 5.437 ( -6.463 4.557 5.829) 9.824 6.431 ( 3.504 4.854 -2.893) 6.649 6.730 ( -10.104 0.574 -4.573) 11.106 7.514 ( 5.975 -2.523 29.751) 30.450 7.658 ( 2.563 -4.797 18.138) 18.936 8.339 ( 1.602 0.483 7.047) 7.243 8.537 ( -5.907 -4.523 -21.513) 22.763 14.510 ( 12.148 10.166 -5.470) 16.759 15.125 ( -9.957 6.730 6.089) 13.473 15.741 ( 1.925 2.512 20.970) 21.207 16.002 ( -15.782 5.867 13.302) 21.458 17.130 ( 15.799 -20.588 -3.731) 26.218 17.838 ( -17.937 -20.568 0.854) 27.304 20.891 ( 9.064 5.729 -6.401) 12.488 21.199 ( -4.995 -0.086 -8.996) 10.290 ======================= 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 ( -13.396 -11.551 2.428) 17.854 3.253 ( 13.396 -11.551 2.428) 17.854 5.225 ( -13.624 10.041 1.216) 16.968 5.225 ( 13.624 10.041 1.216) 16.968 6.541 ( -7.298 3.597 -2.484) 8.507 6.541 ( 7.298 3.597 -2.484) 8.507 7.634 ( -4.420 -5.578 27.411) 28.320 7.634 ( 4.420 -5.578 27.411) 28.320 8.415 ( -5.330 -2.050 -11.678) 13.000 8.415 ( 5.330 -2.050 -11.678) 13.000 14.825 ( -16.619 12.498 -2.070) 20.897 14.825 ( 16.619 12.498 -2.070) 20.897 15.801 ( -4.735 3.227 18.896) 19.746 15.801 ( 4.735 3.227 18.896) 19.746 17.474 ( -16.866 -22.022 -1.273) 27.768 17.474 ( 16.866 -22.022 -1.273) 27.768 21.066 ( -7.521 2.278 -7.652) 10.968 21.066 ( 7.521 2.278 -7.652) 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 ( 0.445 0.445 7.054) 7.081 3.274 ( -12.869 -12.869 1.522) 18.263 5.183 ( 12.772 12.772 -0.391) 18.066 5.484 ( -0.527 -0.527 3.078) 3.167 6.509 ( 2.945 2.945 -3.268) 5.294 6.680 ( -4.590 -4.590 -4.508) 7.903 7.503 ( 1.444 1.444 37.334) 37.390 7.598 ( -1.714 -1.714 28.746) 28.848 8.342 ( 0.332 0.332 -7.493) 7.508 8.445 ( -4.131 -4.131 -26.160) 26.805 14.783 ( 15.143 15.143 -3.898) 21.767 15.213 ( 0.511 0.511 5.678) 5.724 15.781 ( 1.528 1.528 21.061) 21.171 15.987 ( -7.377 -7.377 16.303) 19.355 16.901 ( 0.378 0.378 -7.665) 7.683 17.420 ( -18.789 -18.789 -2.126) 26.656 21.002 ( 4.946 4.946 -6.480) 9.534 21.170 ( -2.579 -2.579 -7.868) 8.672 ======================= 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 ( -7.030 -6.277 4.963) 10.652 3.064 ( 7.030 -6.277 4.963) 10.652 5.401 ( -7.493 6.353 0.326) 9.829 5.401 ( 7.493 6.353 0.326) 9.829 6.580 ( -4.241 0.317 -3.216) 5.332 6.580 ( 4.241 0.317 -3.216) 5.332 7.554 ( -2.688 -2.073 37.629) 37.782 7.554 ( 2.688 -2.073 37.629) 37.782 8.372 ( -2.599 -1.812 -21.867) 22.095 8.372 ( 2.599 -1.812 -21.867) 22.095 15.091 ( -12.159 11.721 -0.096) 16.889 15.091 ( 12.159 11.721 -0.096) 16.889 15.833 ( -4.653 -0.302 19.731) 20.275 15.833 ( 4.653 -0.302 19.731) 20.275 17.073 ( -13.681 -14.762 -5.422) 20.844 17.073 ( 13.681 -14.762 -5.422) 20.844 21.098 ( -4.111 0.868 -7.002) 8.166 21.098 ( 4.111 0.868 -7.002) 8.166 ======================= 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 5.774) 5.774 2.997 ( 0.000 0.000 5.774) 5.774 5.471 ( 0.000 0.000 -0.499) 0.499 5.471 ( 0.000 0.000 -0.499) 0.499 6.578 ( 0.000 0.000 -2.941) 2.941 6.578 ( 0.000 0.000 -2.941) 2.941 7.535 ( 0.000 0.000 42.654) 42.654 7.535 ( 0.000 0.000 42.654) 42.654 8.351 ( 0.000 0.000 -26.874) 26.874 8.351 ( 0.000 0.000 -26.874) 26.874 15.237 ( 0.000 0.000 0.535) 0.535 15.237 ( 0.000 0.000 0.535) 0.535 15.815 ( -0.000 -0.000 20.899) 20.899 15.815 ( 0.000 0.000 20.899) 20.899 16.910 ( 0.000 0.000 -7.687) 7.687 16.910 ( 0.000 0.000 -7.687) 7.687 21.106 ( 0.000 0.000 -6.783) 6.783 21.106 ( 0.000 0.000 -6.783) 6.783 ======================= 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 18.069) 18.069 3.435 ( 0.000 -0.000 18.069) 18.069 5.785 ( 0.000 0.000 -15.834) 15.834 5.785 ( 0.000 0.000 -15.834) 15.834 6.190 ( -0.000 0.000 36.487) 36.487 7.246 ( 0.000 0.000 -0.808) 0.808 7.246 ( -0.000 0.000 -0.808) 0.808 7.600 ( 0.000 0.000 40.832) 40.832 8.356 ( 0.000 0.000 23.067) 23.067 8.690 ( -0.000 -0.000 -25.878) 25.878 15.909 ( 0.000 0.000 16.641) 16.641 15.909 ( 0.000 0.000 16.641) 16.641 16.805 ( 0.000 0.000 -4.794) 4.794 16.805 ( 0.000 0.000 -4.794) 4.794 17.134 ( 0.000 0.000 10.460) 10.460 18.154 ( 0.000 0.000 -12.020) 12.020 19.762 ( 0.000 0.000 13.605) 13.605 20.998 ( 0.000 0.000 -15.060) 15.060 ======================= 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| 3.418 ( -1.529 0.000 17.219) 17.286 3.469 ( 3.328 0.000 16.596) 16.926 5.662 ( -11.348 0.000 -15.613) 19.301 5.702 ( -7.491 0.000 -14.778) 16.568 6.195 ( 0.562 0.000 33.263) 33.267 7.173 ( -6.246 0.000 0.555) 6.271 7.250 ( 0.511 0.000 -0.979) 1.105 7.726 ( 11.262 0.000 39.359) 40.939 8.449 ( 6.732 0.000 20.523) 21.599 8.658 ( -2.034 0.000 -24.045) 24.131 15.883 ( -3.849 0.000 15.675) 16.141 15.886 ( -3.188 0.000 15.810) 16.128 16.308 ( -28.802 0.000 -1.003) 28.819 16.377 ( -31.036 0.000 -2.634) 31.148 17.537 ( 21.592 0.000 6.978) 22.692 18.498 ( 23.617 0.000 -15.175) 28.072 19.754 ( 0.130 0.000 15.093) 15.094 20.995 ( -0.310 0.000 -14.818) 14.822 ======================= 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 ( -1.125 0.000 14.026) 14.071 3.577 ( 7.000 0.000 12.016) 13.906 5.339 ( -18.696 0.000 -14.376) 23.585 5.496 ( -11.697 0.000 -12.923) 17.430 6.215 ( 1.405 0.000 26.218) 26.256 7.011 ( -8.852 0.000 2.240) 9.131 7.277 ( 2.444 0.000 -3.105) 3.951 8.029 ( 16.557 0.000 36.889) 40.434 8.455 ( -6.540 0.000 -11.935) 13.609 8.737 ( 8.958 0.000 8.671) 12.467 15.514 ( -29.574 0.000 0.292) 29.576 15.529 ( -31.488 0.000 1.360) 31.517 15.978 ( -3.977 0.000 12.805) 13.408 15.979 ( -3.151 0.000 12.535) 12.925 17.923 ( 15.139 0.000 7.017) 16.686 18.877 ( 9.171 0.000 -16.385) 18.778 19.838 ( 9.700 0.000 14.232) 17.223 20.982 ( -0.987 0.000 -13.957) 13.992 ======================= 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 7.389) 8.025 3.758 ( 9.886 0.000 3.766) 10.579 4.917 ( -20.517 0.000 -10.586) 23.087 5.224 ( -14.035 0.000 -10.636) 17.610 6.252 ( 2.073 0.000 19.730) 19.839 6.811 ( -10.105 0.000 3.660) 10.747 7.366 ( 6.200 0.000 -8.009) 10.128 8.269 ( -10.419 0.000 -18.582) 21.303 8.383 ( 16.568 0.000 34.090) 37.903 8.910 ( 6.413 0.000 17.612) 18.743 14.893 ( -26.685 0.000 -1.138) 26.710 14.909 ( -26.057 0.000 -3.314) 26.267 15.948 ( -0.317 0.000 14.919) 14.923 15.955 ( -0.283 0.000 14.623) 14.626 18.182 ( 10.013 0.000 6.099) 11.724 18.887 ( -5.690 0.000 -8.244) 10.017 20.139 ( 16.637 0.000 4.677) 17.282 20.947 ( -2.568 0.000 -12.294) 12.560 ======================= 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| 3.535 ( 9.978 0.000 -2.163) 10.209 3.933 ( 3.384 0.000 -10.189) 10.736 4.557 ( -10.028 0.000 -0.443) 10.038 4.915 ( -15.228 0.000 -6.517) 16.564 6.310 ( 3.787 0.000 14.723) 15.202 6.600 ( -9.655 0.000 6.093) 11.417 7.538 ( 10.116 0.000 -13.829) 17.134 8.032 ( -12.021 0.000 -19.303) 22.740 8.698 ( 12.935 0.000 30.666) 33.283 8.981 ( 0.082 0.000 22.293) 22.293 14.457 ( -14.338 0.000 -2.369) 14.532 14.472 ( -14.877 0.000 -3.979) 15.400 15.948 ( 0.191 0.000 15.040) 15.041 15.953 ( 0.023 0.000 14.901) 14.901 18.365 ( 7.999 0.000 4.103) 8.990 18.721 ( -9.033 0.000 -2.267) 9.313 20.467 ( 13.959 0.000 -2.300) 14.148 20.866 ( -5.414 0.000 -9.853) 11.242 ======================= 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 ( -13.155 0.000 -12.170) 17.921 3.793 ( 13.155 0.000 -12.170) 17.921 4.614 ( -12.032 0.000 0.538) 12.044 4.614 ( 12.032 0.000 0.538) 12.044 6.422 ( -7.031 0.000 10.028) 12.247 6.422 ( 7.031 0.000 10.028) 12.247 7.776 ( -12.138 0.000 -17.844) 21.581 7.776 ( 12.138 0.000 -17.844) 21.581 8.909 ( -6.935 0.000 26.650) 27.537 8.909 ( 6.935 0.000 26.650) 27.537 14.309 ( -0.402 0.000 -3.467) 3.490 14.309 ( 0.402 0.000 -3.467) 3.490 15.952 ( -0.134 0.000 15.004) 15.004 15.952 ( 0.134 0.000 15.004) 15.004 18.535 ( -8.470 0.000 1.380) 8.582 18.535 ( 8.470 0.000 1.380) 8.582 20.712 ( -9.424 0.000 -6.661) 11.540 20.712 ( 9.424 0.000 -6.661) 11.540 ======================= 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| 3.396 ( -1.877 -1.877 16.735) 16.944 3.509 ( 3.804 3.804 14.676) 15.631 5.418 ( -14.947 -14.947 -17.481) 27.430 5.788 ( 0.005 0.005 -10.566) 10.566 6.200 ( 0.613 0.613 29.873) 29.886 7.185 ( -1.527 -1.527 -0.048) 2.160 7.196 ( -2.422 -2.422 -1.549) 3.759 7.789 ( 6.600 6.600 38.881) 39.986 8.544 ( 7.395 7.395 22.471) 24.786 8.614 ( -3.477 -3.477 -25.669) 26.135 15.660 ( -31.954 -31.954 -2.477) 45.258 15.828 ( -3.653 -3.653 15.502) 16.340 15.929 ( 0.914 0.914 16.427) 16.478 16.789 ( -0.629 -0.629 -4.993) 5.071 17.280 ( -3.981 -3.981 7.856) 9.665 18.762 ( 15.964 15.964 -14.466) 26.814 19.769 ( 2.579 2.579 15.918) 16.330 20.999 ( 0.323 0.323 -14.598) 14.605 ======================= 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| 3.353 ( -1.750 -2.767 14.189) 14.562 3.632 ( 7.927 5.155 9.390) 13.326 5.071 ( -17.811 -16.389 -15.917) 28.968 5.686 ( -9.205 8.588 -6.951) 14.380 6.223 ( 1.514 0.771 22.902) 22.965 7.035 ( -8.932 2.115 0.360) 9.186 7.241 ( 3.516 -3.434 -3.841) 6.237 8.002 ( 12.869 -1.020 35.730) 37.990 8.479 ( -7.297 0.354 -19.259) 20.598 8.747 ( 9.228 1.823 17.784) 20.119 15.021 ( -27.791 -24.795 -2.902) 37.357 15.689 ( -12.149 0.054 11.558) 16.769 15.951 ( 0.931 1.140 15.988) 16.055 16.342 ( -24.413 23.749 1.290) 34.083 17.567 ( 18.081 -28.371 4.367) 33.925 18.943 ( 0.175 1.382 -11.111) 11.198 19.925 ( 12.558 8.475 11.695) 19.139 21.002 ( -0.210 1.688 -13.745) 13.849 ======================= 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| 3.348 ( 1.912 -4.296 8.708) 9.896 3.830 ( 10.067 6.120 0.031) 11.782 4.696 ( -16.878 -14.185 -9.302) 23.929 5.431 ( -14.522 12.735 -6.025) 20.232 6.262 ( 2.292 1.049 16.985) 17.171 6.830 ( -10.327 1.725 2.195) 10.698 7.346 ( 6.640 -1.880 -8.585) 11.015 8.196 ( -2.745 -4.740 0.296) 5.486 8.402 ( 7.677 -0.149 12.384) 14.571 8.907 ( 5.417 -0.256 20.616) 21.317 14.535 ( -17.779 -15.504 -3.489) 23.846 15.246 ( -27.104 13.102 1.355) 30.136 15.966 ( 0.561 1.845 15.570) 15.689 16.042 ( -5.736 8.490 11.066) 15.081 17.900 ( 13.575 -23.999 3.521) 27.796 18.827 ( -9.361 -6.867 -4.781) 12.555 20.235 ( 15.403 8.194 3.388) 17.772 20.981 ( -2.059 2.864 -12.032) 12.539 ======================= 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 ( 8.380 -6.646 0.639) 10.714 3.931 ( -4.981 -2.813 -13.444) 14.610 4.495 ( 2.520 -0.354 2.851) 3.822 5.097 ( -16.999 13.111 -4.839) 22.007 6.325 ( 3.945 1.395 12.647) 13.321 6.616 ( -9.698 1.489 4.882) 10.960 7.521 ( 9.999 -1.596 -13.760) 17.084 8.004 ( -11.566 -2.431 -17.632) 21.226 8.660 ( 12.468 -3.574 27.755) 30.636 8.958 ( -0.738 -2.196 23.280) 23.395 14.300 ( -4.286 -4.972 -3.778) 7.574 14.707 ( -22.241 12.461 -2.258) 25.594 15.974 ( 0.233 2.278 15.063) 15.237 15.988 ( -0.794 3.350 14.095) 14.509 18.150 ( 10.819 -19.008 2.518) 22.016 18.603 ( -11.247 -11.124 -1.132) 15.860 20.534 ( 12.730 5.650 -2.389) 14.131 20.907 ( -5.131 3.515 -9.555) 11.401 ======================= 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| 3.691 ( -13.517 -8.571 -8.374) 18.064 3.691 ( 13.517 -8.571 -8.374) 18.064 4.739 ( -16.386 10.618 -0.801) 19.542 4.739 ( 16.386 10.618 -0.801) 19.542 6.439 ( -7.023 1.505 8.570) 11.182 6.439 ( 7.023 1.505 8.570) 11.182 7.754 ( -11.872 -1.942 -17.210) 20.998 7.754 ( 11.872 -1.942 -17.210) 20.998 8.873 ( -7.343 -3.445 26.005) 27.240 8.873 ( 7.343 -3.445 26.005) 27.240 14.362 ( -10.064 5.061 -3.472) 11.788 14.362 ( 10.064 5.061 -3.472) 11.788 15.979 ( -0.279 2.458 14.786) 14.992 15.979 ( 0.279 2.458 14.786) 14.992 18.372 ( -10.698 -14.804 1.016) 18.293 18.372 ( 10.698 -14.804 1.016) 18.293 20.761 ( -8.907 4.146 -6.429) 11.741 20.761 ( 8.907 4.146 -6.429) 11.741 ======================= 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 ( -3.185 -3.185 12.967) 13.727 3.787 ( 9.227 9.227 2.824) 13.351 4.721 ( -16.463 -16.463 -12.118) 26.247 5.770 ( -1.021 -1.021 0.068) 1.445 6.250 ( 1.807 1.807 15.639) 15.846 7.043 ( -4.758 -4.758 -2.884) 7.320 7.187 ( 1.793 1.793 -5.478) 6.037 8.040 ( 4.952 4.952 34.732) 35.431 8.419 ( -5.530 -5.530 -25.269) 26.452 8.824 ( 4.572 4.572 25.065) 25.885 14.559 ( -18.261 -18.261 -3.749) 26.095 15.633 ( -5.233 -5.233 12.234) 14.298 15.983 ( 1.635 1.635 15.935) 16.102 16.763 ( -0.477 -0.477 -5.436) 5.478 16.978 ( -9.178 -9.178 7.822) 15.154 18.851 ( -9.442 -9.442 -4.780) 14.183 20.164 ( 12.986 12.986 5.992) 19.317 21.039 ( 1.367 1.367 -12.857) 13.002 ======================= 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 -5.141 9.318) 10.645 3.947 ( 1.597 1.594 -9.355) 9.623 4.457 ( -4.262 -5.098 -0.098) 6.646 5.649 ( -10.079 6.991 1.699) 12.384 6.296 ( 2.611 2.142 10.448) 10.980 6.866 ( -10.194 0.770 -1.344) 10.311 7.299 ( 7.332 -1.796 -9.879) 12.433 8.129 ( -2.287 -0.740 10.485) 10.757 8.343 ( 3.826 -5.541 -2.102) 7.054 8.899 ( 1.955 -0.682 25.058) 25.143 14.287 ( -7.136 -7.529 -4.311) 11.233 15.422 ( -16.479 4.045 6.686) 18.238 16.013 ( 1.208 2.405 15.583) 15.814 16.310 ( -18.519 16.095 5.235) 25.088 17.296 ( 18.029 -31.322 1.110) 36.157 18.593 ( -14.336 -14.861 -1.590) 20.710 20.432 ( 12.198 9.730 1.131) 15.644 21.045 ( -1.074 2.638 -11.104) 11.464 ======================= 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 -7.708 3.575) 10.208 3.769 ( -14.110 -11.391 -9.999) 20.708 4.628 ( 16.090 11.640 2.551) 20.022 5.371 ( -15.936 11.925 0.307) 19.907 6.365 ( 4.131 2.274 7.538) 8.892 6.653 ( -9.578 1.666 1.634) 9.858 7.480 ( 9.879 -1.963 -13.630) 16.948 7.951 ( -11.257 -1.953 -14.385) 18.370 8.548 ( 11.637 -7.113 22.260) 26.106 8.889 ( -3.133 -4.464 24.729) 25.323 14.272 ( 5.769 2.585 -4.281) 7.634 14.969 ( -23.869 12.177 -0.431) 26.799 16.033 ( 0.681 3.054 15.090) 15.411 16.093 ( -4.417 6.447 11.972) 14.297 17.645 ( 15.506 -27.494 0.351) 31.567 18.278 ( -15.303 -19.131 -0.355) 24.501 20.668 ( 10.251 6.523 -2.783) 12.465 20.987 ( -4.498 3.454 -8.748) 10.425 ======================= 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 ( -11.909 -10.493 -3.143) 16.181 3.483 ( 11.909 -10.493 -3.143) 16.181 5.004 ( -18.516 13.679 0.131) 23.022 5.004 ( 18.516 13.679 0.131) 23.022 6.479 ( -6.906 2.110 4.768) 8.654 6.479 ( 6.906 2.110 4.768) 8.654 7.707 ( -11.586 -2.081 -15.777) 19.684 7.707 ( 11.586 -2.081 -15.777) 19.684 8.765 ( -8.489 -6.741 24.388) 26.688 8.765 ( 8.489 -6.741 24.388) 26.688 14.521 ( -17.489 10.077 -3.280) 20.449 14.521 ( 17.489 10.077 -3.280) 20.449 16.047 ( -0.938 3.753 14.268) 14.783 16.047 ( 0.938 3.753 14.268) 14.783 17.961 ( -14.934 -23.283 0.063) 27.661 17.961 ( 14.934 -23.283 0.063) 27.661 20.858 ( -7.728 4.494 -6.005) 10.769 20.858 ( 7.728 4.494 -6.005) 10.769 ======================= 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 ( -2.684 -2.684 7.543) 8.444 3.799 ( -13.001 -13.001 -10.142) 20.999 4.577 ( 13.763 13.763 3.671) 19.806 5.701 ( -2.182 -2.182 6.532) 7.224 6.349 ( 2.787 2.787 4.768) 6.186 6.817 ( -5.631 -5.631 -3.227) 8.593 7.319 ( 4.370 4.370 -11.582) 13.128 8.172 ( -6.018 -6.018 -25.117) 26.520 8.193 ( 2.369 2.369 31.610) 31.787 8.865 ( -2.844 -2.844 25.972) 26.282 14.238 ( 3.021 3.021 -4.715) 6.362 15.425 ( -4.356 -4.356 7.322) 9.569 16.060 ( 1.940 1.940 15.365) 15.608 16.584 ( -8.918 -8.918 9.681) 15.899 16.756 ( 0.109 0.109 -5.777) 5.779 18.235 ( -18.571 -18.571 -0.574) 26.270 20.625 ( 8.634 8.634 -1.216) 12.270 21.073 ( -0.136 -0.136 -9.532) 9.534 ======================= 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 ( 2.632 -5.706 3.976) 7.436 3.510 ( -13.329 -12.445 -4.764) 18.848 4.921 ( 17.674 15.278 2.955) 23.548 5.564 ( -10.501 5.978 6.153) 13.559 6.415 ( 3.782 2.465 2.239) 5.039 6.665 ( -7.851 -0.997 -1.712) 8.097 7.467 ( 9.222 1.569 -13.688) 16.579 7.943 ( -12.020 1.203 -15.185) 19.404 8.373 ( 10.497 -8.985 21.444) 25.510 8.769 ( -6.522 -7.049 24.685) 26.487 14.413 ( 13.422 10.747 -4.295) 17.723 15.197 ( -17.376 8.827 1.959) 19.588 16.093 ( 1.251 2.497 14.973) 15.231 16.240 ( -10.748 6.715 10.438) 16.418 17.071 ( 17.506 -25.002 -2.216) 30.602 17.837 ( -19.101 -22.204 -0.830) 29.301 20.794 ( 7.450 5.406 -3.508) 9.850 21.035 ( -3.439 1.004 -7.646) 8.443 ======================= 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 ( -8.875 -9.202 -0.256) 12.787 3.272 ( 8.875 -9.202 -0.256) 12.787 5.281 ( -15.993 12.102 4.132) 20.477 5.281 ( 15.993 12.102 4.132) 20.477 6.517 ( -6.018 1.280 0.518) 6.175 6.517 ( 6.018 1.280 0.518) 6.175 7.690 ( -11.698 1.001 -15.098) 19.126 7.690 ( 11.698 1.001 -15.098) 19.126 8.594 ( -9.918 -9.470 22.923) 26.711 8.594 ( 9.918 -9.470 22.923) 26.711 14.777 ( -20.341 13.968 -2.522) 24.804 14.777 ( 20.341 13.968 -2.522) 24.804 16.124 ( -2.290 3.210 13.872) 14.422 16.124 ( 2.290 3.210 13.872) 14.422 17.445 ( -18.217 -24.798 -1.581) 30.810 17.445 ( 18.217 -24.798 -1.581) 30.810 20.935 ( -5.932 2.801 -5.642) 8.653 20.935 ( 5.932 2.801 -5.642) 8.653 ======================= 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 ( -1.109 -1.109 2.487) 2.940 3.271 ( -9.867 -9.867 -1.616) 14.048 5.235 ( 14.120 14.120 5.526) 20.720 5.608 ( -1.937 -1.937 8.790) 9.207 6.466 ( 2.516 2.516 -0.654) 3.618 6.610 ( -3.815 -3.815 -2.616) 5.997 7.562 ( 7.405 7.405 -14.857) 18.177 7.942 ( -4.517 -4.517 -25.263) 26.058 8.249 ( 0.509 0.509 30.772) 30.780 8.594 ( -9.523 -9.523 23.667) 27.230 14.709 ( 16.924 16.924 -3.416) 24.176 15.285 ( -2.225 -2.225 2.168) 3.821 16.133 ( 1.364 1.364 14.883) 15.008 16.278 ( -5.305 -5.305 12.887) 14.912 16.768 ( 0.360 0.360 -5.868) 5.890 17.376 ( -21.110 -21.110 -2.284) 29.941 20.895 ( 4.330 4.330 -4.406) 7.545 21.028 ( -1.579 -1.579 -6.489) 6.862 ======================= 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 -5.510 0.461) 7.341 3.114 ( 4.828 -5.510 0.461) 7.341 5.487 ( -9.317 7.095 8.012) 14.189 5.487 ( 9.317 7.095 8.012) 14.189 6.529 ( -3.549 -0.013 -1.825) 3.991 6.529 ( 3.549 -0.013 -1.825) 3.991 7.758 ( -10.481 5.086 -18.197) 21.606 7.758 ( 10.481 5.086 -18.197) 21.606 8.385 ( -9.724 -9.735 24.547) 28.140 8.385 ( 9.724 -9.735 24.547) 28.140 15.075 ( -16.155 13.205 -1.165) 20.897 15.075 ( 16.155 13.205 -1.165) 20.897 16.167 ( -2.845 0.645 14.216) 14.512 16.167 ( 2.845 0.645 14.216) 14.512 16.979 ( -16.060 -17.901 -4.160) 24.407 16.979 ( 16.060 -17.901 -4.160) 24.407 20.976 ( -3.285 1.140 -5.401) 6.424 20.976 ( 3.285 1.140 -5.401) 6.424 ======================= 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 0.425) 0.425 3.055 ( 0.000 0.000 0.425) 0.425 5.563 ( 0.000 0.000 9.439) 9.439 5.563 ( 0.000 0.000 9.439) 9.439 6.526 ( 0.000 0.000 -2.267) 2.267 6.526 ( 0.000 0.000 -2.267) 2.267 7.838 ( 0.000 0.000 -25.405) 25.405 7.838 ( 0.000 0.000 -25.405) 25.405 8.256 ( 0.000 0.000 30.924) 30.924 8.256 ( 0.000 0.000 30.924) 30.924 15.239 ( 0.000 0.000 -0.245) 0.245 15.239 ( 0.000 0.000 -0.245) 0.245 16.163 ( 0.000 0.000 14.689) 14.689 16.163 ( 0.000 0.000 14.689) 14.689 16.777 ( 0.000 0.000 -5.858) 5.858 16.777 ( 0.000 0.000 -5.858) 5.858 20.987 ( 0.000 0.000 -5.316) 5.316 20.987 ( 0.000 0.000 -5.316) 5.316 ======================= 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 11.057) 11.057 3.723 ( 0.000 0.000 11.057) 11.057 5.511 ( 0.000 0.000 -11.272) 11.272 5.511 ( 0.000 0.000 -11.272) 11.272 6.886 ( -0.000 -0.000 35.058) 35.058 7.247 ( 0.000 0.000 0.460) 0.460 7.247 ( 0.000 0.000 0.460) 0.460 8.151 ( 0.000 0.000 -29.524) 29.524 8.259 ( 0.000 0.000 26.596) 26.596 8.652 ( 0.000 0.000 6.973) 6.973 16.158 ( 0.000 0.000 8.763) 8.763 16.158 ( 0.000 0.000 8.763) 8.763 16.731 ( -0.000 0.000 -2.624) 2.624 16.731 ( 0.000 0.000 -2.624) 2.624 17.357 ( -0.000 -0.000 12.488) 12.488 17.896 ( 0.000 0.000 -14.206) 14.206 20.052 ( -0.000 -0.000 15.950) 15.950 20.693 ( -0.000 0.000 -16.255) 16.255 ======================= 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 ( -2.404 0.000 11.129) 11.386 3.731 ( 0.765 0.000 9.794) 9.824 5.395 ( -10.478 0.000 -10.663) 14.949 5.424 ( -7.673 0.000 -11.813) 14.086 6.852 ( -3.042 0.000 32.780) 32.921 7.191 ( -4.940 0.000 1.030) 5.046 7.245 ( -0.275 0.000 0.852) 0.895 8.114 ( -3.622 0.000 -28.901) 29.127 8.367 ( 9.727 0.000 25.940) 27.703 8.747 ( 8.538 0.000 6.831) 10.935 16.103 ( -11.478 0.000 6.810) 13.346 16.112 ( -9.072 0.000 7.057) 11.493 16.311 ( -21.674 0.000 1.302) 21.713 16.340 ( -24.164 0.000 -0.857) 24.179 17.703 ( 21.064 0.000 10.090) 23.356 18.203 ( 20.882 0.000 -14.925) 25.667 20.061 ( 1.187 0.000 16.244) 16.287 20.695 ( 0.283 0.000 -15.924) 15.927 ======================= 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| 3.627 ( -4.181 0.000 10.565) 11.363 3.754 ( 1.254 0.000 5.562) 5.702 5.107 ( -15.942 0.000 -8.257) 17.954 5.222 ( -10.925 0.000 -12.705) 16.757 6.774 ( -4.049 0.000 28.202) 28.492 7.058 ( -7.448 0.000 2.350) 7.810 7.234 ( -0.599 0.000 -0.248) 0.648 7.999 ( -7.213 0.000 -27.166) 28.107 8.630 ( 14.414 0.000 24.273) 28.230 8.969 ( 11.532 0.000 7.057) 13.520 15.506 ( -33.152 0.000 -0.307) 33.153 15.527 ( -34.063 0.000 -0.835) 34.073 16.183 ( -1.133 0.000 7.583) 7.667 16.184 ( -0.928 0.000 7.605) 7.661 18.081 ( 14.457 0.000 9.419) 17.255 18.565 ( 11.883 0.000 -15.238) 19.323 20.125 ( 5.413 0.000 14.996) 15.944 20.705 ( 0.532 0.000 -14.603) 14.612 ======================= 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 ( -3.339 0.000 7.352) 8.075 3.772 ( -0.036 0.000 -2.401) 2.402 4.779 ( -13.977 0.000 -2.868) 14.268 4.990 ( -10.901 0.000 -11.657) 15.960 6.696 ( -3.186 0.000 23.389) 23.605 6.893 ( -7.858 0.000 4.638) 9.124 7.232 ( 0.752 0.000 -4.665) 4.726 7.822 ( -9.476 0.000 -25.038) 26.771 8.935 ( 13.874 0.000 21.850) 25.882 9.192 ( 9.048 0.000 8.710) 12.559 14.864 ( -26.929 0.000 -1.315) 26.961 14.871 ( -27.310 0.000 -1.089) 27.332 16.172 ( -0.153 0.000 7.897) 7.899 16.175 ( -0.116 0.000 7.773) 7.774 18.312 ( 8.011 0.000 7.509) 10.980 18.688 ( 0.637 0.000 -11.173) 11.191 20.284 ( 9.160 0.000 9.495) 13.193 20.712 ( -0.014 0.000 -11.866) 11.866 ======================= 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 ( 1.169 0.000 0.467) 1.259 3.724 ( -4.947 0.000 -10.144) 11.286 4.582 ( -3.811 0.000 2.603) 4.615 4.774 ( -9.403 0.000 -7.139) 11.806 6.648 ( -1.133 0.000 18.681) 18.715 6.745 ( -5.913 0.000 8.498) 10.352 7.283 ( 4.421 0.000 -11.441) 12.265 7.614 ( -10.028 0.000 -22.248) 24.404 9.186 ( 9.703 0.000 18.742) 21.104 9.326 ( 3.406 0.000 11.620) 12.109 14.418 ( -14.880 0.000 -1.613) 14.968 14.421 ( -14.994 0.000 -1.358) 15.055 16.173 ( 0.183 0.000 7.898) 7.900 16.176 ( 0.081 0.000 7.788) 7.788 18.442 ( 4.996 0.000 4.074) 6.447 18.639 ( -4.244 0.000 -5.445) 6.904 20.475 ( 8.367 0.000 2.736) 8.803 20.693 ( -2.028 0.000 -7.893) 8.149 ======================= 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 ( -6.061 0.000 -7.656) 9.764 3.594 ( 6.061 0.000 -7.656) 9.764 4.611 ( -5.533 0.000 -0.475) 5.553 4.611 ( 5.533 0.000 -0.475) 5.553 6.658 ( -2.259 0.000 13.573) 13.759 6.658 ( 2.259 0.000 13.573) 13.759 7.418 ( -8.255 0.000 -17.839) 19.656 7.418 ( 8.255 0.000 -17.839) 19.656 9.326 ( -3.423 0.000 15.176) 15.557 9.326 ( 3.423 0.000 15.176) 15.557 14.261 ( -0.062 0.000 -1.573) 1.574 14.261 ( 0.062 0.000 -1.573) 1.574 16.176 ( -0.089 0.000 7.846) 7.846 16.176 ( 0.089 0.000 7.846) 7.846 18.541 ( -4.766 0.000 -0.323) 4.777 18.541 ( 4.766 0.000 -0.323) 4.777 20.619 ( -5.210 0.000 -3.044) 6.034 20.619 ( 5.210 0.000 -3.044) 6.034 ======================= 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 ( -2.940 -2.940 10.062) 10.887 3.749 ( 1.160 1.160 9.516) 9.657 5.121 ( -15.140 -15.140 -12.025) 24.556 5.558 ( 2.084 2.084 -9.995) 10.420 6.818 ( -3.008 -3.008 30.408) 30.704 7.187 ( -2.299 -2.299 0.246) 3.261 7.197 ( -2.425 -2.425 2.289) 4.123 8.086 ( -2.995 -2.995 -28.547) 28.859 8.408 ( 4.646 4.646 24.017) 24.900 8.848 ( 8.571 8.571 8.605) 14.865 15.623 ( -32.217 -32.217 -1.308) 45.581 16.059 ( -4.519 -4.519 8.072) 10.296 16.174 ( 0.770 0.770 8.645) 8.713 16.713 ( -0.770 -0.770 -2.741) 2.950 17.417 ( -5.041 -5.041 5.822) 9.204 18.519 ( 16.909 16.909 -9.762) 25.828 20.082 ( 2.394 2.394 16.183) 16.534 20.705 ( 0.916 0.916 -15.567) 15.621 ======================= 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 ( -4.313 -3.686 9.097) 10.721 3.776 ( 1.326 1.728 5.132) 5.575 4.809 ( -13.939 -15.287 -10.181) 23.057 5.495 ( -7.653 12.561 -8.981) 17.234 6.740 ( -4.056 -2.896 25.615) 26.095 7.064 ( -7.194 0.414 2.985) 7.800 7.190 ( -0.005 -4.005 -0.439) 4.029 7.981 ( -6.874 -1.746 -26.779) 27.702 8.580 ( 11.418 -3.013 21.180) 24.249 9.054 ( 10.047 6.555 10.284) 15.801 14.978 ( -28.163 -25.475 -1.495) 38.005 15.841 ( -20.242 4.979 4.484) 21.322 16.190 ( 0.609 1.362 8.432) 8.563 16.375 ( -15.869 17.204 1.825) 23.476 17.647 ( 16.728 -30.309 3.537) 34.800 18.743 ( 4.010 6.963 -8.268) 11.530 20.179 ( 6.958 5.181 13.848) 16.340 20.731 ( 1.346 2.322 -14.181) 14.433 ======================= 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 ( -3.339 -3.977 6.484) 8.307 3.788 ( -1.012 1.014 -3.729) 3.994 4.573 ( -7.488 -9.954 -3.447) 12.924 5.272 ( -12.793 17.051 -7.760) 22.685 6.663 ( -3.000 -2.735 20.498) 20.896 6.902 ( -7.891 0.534 5.802) 9.809 7.203 ( 1.521 -2.621 -5.144) 5.970 7.808 ( -9.367 -1.224 -24.396) 26.161 8.851 ( 13.528 -6.445 18.903) 24.122 9.237 ( 6.875 3.004 11.565) 13.786 14.485 ( -18.072 -16.141 -1.713) 24.291 15.255 ( -30.718 16.350 -0.016) 34.798 16.198 ( 0.081 2.111 8.128) 8.399 16.217 ( -2.339 4.618 6.415) 8.243 17.961 ( 12.692 -27.026 2.603) 29.971 18.716 ( -5.464 -2.389 -5.433) 8.067 20.354 ( 9.050 5.983 8.193) 13.596 20.753 ( 0.521 3.567 -11.370) 11.928 ======================= 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 -4.154 1.129) 4.441 3.703 ( -6.904 -2.482 -9.422) 11.941 4.539 ( 4.352 0.664 1.604) 4.685 4.988 ( -13.732 15.492 -5.151) 21.333 6.624 ( -0.506 -2.035 16.055) 16.191 6.749 ( -6.365 0.101 8.966) 10.996 7.267 ( 4.835 -1.438 -11.341) 12.412 7.602 ( -9.965 -1.052 -21.474) 23.696 9.113 ( 10.800 -6.229 16.971) 21.058 9.325 ( 1.252 -0.752 13.145) 13.226 14.246 ( -4.274 -5.418 -1.788) 7.129 14.673 ( -23.374 13.188 -1.183) 26.864 16.193 ( 0.072 2.247 7.477) 7.808 16.205 ( -0.084 2.336 7.834) 8.175 18.187 ( 9.416 -21.087 1.399) 23.136 18.559 ( -8.635 -9.235 -2.620) 12.911 20.534 ( 7.782 4.979 2.131) 9.481 20.741 ( -1.858 4.104 -7.491) 8.741 ======================= 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| 3.550 ( -6.408 -4.162 -5.532) 9.433 3.550 ( 6.408 -4.162 -5.532) 9.433 4.717 ( -11.539 9.806 -1.135) 15.185 4.717 ( 11.539 9.806 -1.135) 15.185 6.649 ( -2.987 -0.878 12.363) 12.749 6.649 ( 2.987 -0.878 12.363) 12.749 7.406 ( -8.293 -1.018 -17.196) 19.119 7.406 ( 8.293 -1.018 -17.196) 19.119 9.284 ( -5.220 -4.012 15.028) 16.407 9.284 ( 5.220 -4.012 15.028) 16.407 14.312 ( -10.499 4.996 -1.640) 11.742 14.312 ( 10.499 4.996 -1.640) 11.742 16.200 ( -0.382 2.162 7.730) 8.036 16.200 ( 0.382 2.162 7.730) 8.036 18.375 ( -8.793 -15.119 -0.367) 17.494 18.375 ( 8.793 -15.119 -0.367) 17.494 20.670 ( -4.997 4.302 -3.035) 7.259 20.670 ( 4.997 4.302 -3.035) 7.259 ======================= 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 ( -5.065 -5.065 7.548) 10.405 3.811 ( 1.045 1.045 -0.025) 1.478 4.543 ( -9.259 -9.259 -5.927) 14.373 5.658 ( 2.348 2.348 -6.697) 7.475 6.668 ( -3.723 -3.723 20.738) 21.396 7.044 ( -4.767 -4.767 4.740) 8.241 7.108 ( -0.949 -0.949 -2.698) 3.014 7.916 ( -4.891 -4.891 -26.192) 27.090 8.571 ( 3.159 3.159 19.214) 19.727 9.192 ( 5.897 5.897 12.615) 15.122 14.504 ( -18.747 -18.747 -1.871) 26.579 15.811 ( -6.853 -6.853 6.075) 11.438 16.221 ( 1.434 1.434 8.397) 8.639 16.680 ( -0.653 -0.653 -3.031) 3.168 17.101 ( -8.956 -8.956 4.606) 13.477 18.749 ( -5.783 -5.783 -4.644) 9.405 20.327 ( 8.211 8.211 10.129) 15.409 20.790 ( 3.011 3.011 -12.599) 13.299 ======================= 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 ( -3.860 -5.961 5.453) 8.954 3.775 ( -5.451 -3.422 -7.152) 9.622 4.472 ( 3.499 1.552 1.048) 3.968 5.590 ( -8.356 12.078 -4.643) 15.403 6.598 ( -2.580 -3.202 15.619) 16.152 6.897 ( -7.872 -1.654 6.012) 10.042 7.139 ( 3.032 -2.573 -5.934) 7.143 7.772 ( -8.562 -2.363 -23.785) 25.389 8.717 ( 10.110 -5.284 17.245) 20.676 9.281 ( 2.293 0.814 13.529) 13.746 14.225 ( -7.353 -8.015 -2.126) 11.083 15.507 ( -22.733 7.039 2.474) 23.926 16.246 ( 0.899 2.297 8.216) 8.578 16.391 ( -11.575 11.964 2.880) 16.894 17.321 ( 16.276 -31.994 1.211) 35.917 18.547 ( -12.529 -12.932 -2.437) 18.170 20.498 ( 7.838 7.052 5.234) 11.771 20.840 ( 1.389 4.172 -9.718) 10.667 ======================= 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 ( 0.652 -6.785 1.972) 7.096 3.603 ( -9.527 -6.991 -6.437) 13.456 4.668 ( 13.780 11.408 1.468) 17.950 5.339 ( -14.874 16.813 -2.499) 22.587 6.573 ( 0.421 -2.680 11.440) 11.758 6.737 ( -6.965 -1.471 7.576) 10.396 7.231 ( 5.771 -1.642 -10.803) 12.357 7.575 ( -9.736 -1.367 -20.200) 22.465 8.953 ( 11.392 -8.490 15.674) 21.155 9.278 ( -2.808 -3.919 14.102) 14.903 14.210 ( 6.056 2.281 -2.117) 6.808 14.957 ( -26.657 13.566 -0.587) 29.916 16.257 ( 0.119 3.122 7.826) 8.427 16.274 ( -1.685 4.610 6.406) 8.070 17.649 ( 14.880 -28.799 0.083) 32.416 18.258 ( -14.488 -18.658 -1.248) 23.656 20.650 ( 6.602 5.497 0.723) 8.621 20.838 ( -1.714 4.468 -6.384) 7.979 ======================= 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 -7.371 -2.356) 10.122 3.426 ( 6.525 -7.371 -2.356) 10.122 4.999 ( -16.827 16.297 -0.468) 23.430 4.999 ( 16.827 16.297 -0.468) 23.430 6.619 ( -4.024 -1.966 9.002) 10.054 6.619 ( 4.024 -1.966 9.002) 10.054 7.381 ( -8.456 -1.195 -15.798) 17.958 7.381 ( 8.456 -1.195 -15.798) 17.958 9.162 ( -8.072 -7.413 14.741) 18.369 9.162 ( 8.072 -7.413 14.741) 18.369 14.472 ( -18.539 10.246 -1.706) 21.251 14.472 ( 18.539 10.246 -1.706) 21.251 16.260 ( -0.317 3.337 7.440) 8.160 16.260 ( 0.317 3.337 7.440) 8.160 17.953 ( -14.449 -23.946 -0.556) 27.973 17.953 ( 14.449 -23.946 -0.556) 27.973 20.770 ( -4.651 4.658 -3.019) 7.242 20.770 ( 4.651 4.658 -3.019) 7.242 ======================= 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| 3.267 ( -5.031 -5.031 3.944) 8.135 3.634 ( -9.289 -9.289 -6.292) 14.566 4.640 ( 13.439 13.439 2.538) 19.174 5.736 ( 1.319 1.319 -1.168) 2.201 6.539 ( -2.153 -2.153 10.738) 11.161 6.816 ( -5.784 -5.784 4.965) 9.568 7.132 ( 2.126 2.126 -6.989) 7.608 7.694 ( -5.452 -5.452 -23.417) 24.654 8.671 ( 1.624 1.624 17.029) 17.183 9.262 ( -2.809 -2.809 14.153) 14.700 14.169 ( 2.936 2.936 -2.375) 4.783 15.525 ( -6.330 -6.330 3.216) 9.512 16.289 ( 1.716 1.716 8.073) 8.430 16.667 ( 0.042 0.042 -3.238) 3.238 16.734 ( -7.934 -7.934 5.467) 12.481 18.213 ( -18.088 -18.088 -1.292) 25.612 20.636 ( 6.064 6.064 1.991) 8.805 20.906 ( 1.791 1.791 -7.357) 7.781 ======================= 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 ( -0.575 -6.660 1.580) 6.869 3.424 ( -9.822 -9.553 -3.556) 14.155 4.984 ( 18.248 17.751 3.003) 25.634 5.645 ( -9.647 11.302 2.049) 14.999 6.520 ( 0.599 -2.170 6.567) 6.942 6.682 ( -6.381 -3.721 4.508) 8.653 7.218 ( 5.771 0.788 -10.385) 11.907 7.544 ( -8.412 -1.801 -20.344) 22.088 8.785 ( 8.453 -6.692 15.837) 19.158 9.161 ( -6.826 -7.163 14.359) 17.438 14.349 ( 14.037 10.927 -2.245) 17.930 15.217 ( -21.531 10.239 0.422) 23.845 16.315 ( 0.806 2.402 7.823) 8.223 16.392 ( -6.788 6.350 5.057) 10.582 17.044 ( 17.162 -27.028 -0.650) 32.023 17.816 ( -19.333 -22.705 -1.043) 29.839 20.754 ( 5.194 4.346 -0.740) 6.813 20.909 ( -1.478 2.111 -5.095) 5.710 ======================= 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 -8.363 -1.035) 10.131 3.256 ( 5.625 -8.363 -1.035) 10.131 5.360 ( -16.671 17.138 3.433) 24.154 5.360 ( 16.671 17.138 3.433) 24.154 6.569 ( -4.058 -2.697 4.545) 6.663 6.569 ( 4.058 -2.697 4.545) 6.663 7.366 ( -8.119 -0.106 -15.323) 17.341 7.366 ( 8.119 -0.106 -15.323) 17.341 8.984 ( -9.640 -9.215 14.764) 19.895 8.984 ( 9.640 -9.215 14.764) 19.895 14.736 ( -22.131 14.644 -1.502) 26.580 14.736 ( 22.131 14.644 -1.502) 26.580 16.329 ( -0.911 3.064 7.164) 7.845 16.329 ( 0.911 3.064 7.164) 7.845 17.418 ( -18.472 -26.096 -1.082) 31.991 17.418 ( 18.472 -26.096 -1.082) 31.991 20.851 ( -3.907 2.937 -2.991) 5.730 20.851 ( 3.907 2.937 -2.991) 5.730 ======================= 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 ( -2.850 -2.850 0.191) 4.034 3.229 ( -8.374 -8.374 -2.154) 12.037 5.365 ( 17.467 17.467 6.587) 25.565 5.776 ( 0.665 0.665 7.046) 7.108 6.492 ( -0.267 -0.267 2.395) 2.424 6.593 ( -4.396 -4.396 1.824) 6.479 7.270 ( 4.102 4.102 -12.559) 13.834 7.486 ( -4.041 -4.041 -20.543) 21.324 8.712 ( 0.423 0.423 16.376) 16.387 8.986 ( -9.168 -9.168 14.661) 19.572 14.656 ( 17.872 17.872 -1.915) 25.348 15.310 ( -3.667 -3.667 0.641) 5.225 16.354 ( 1.207 1.207 7.723) 7.910 16.472 ( -4.338 -4.338 6.894) 9.229 16.678 ( 0.373 0.373 -3.230) 3.273 17.337 ( -22.231 -22.231 -1.529) 31.477 20.834 ( 3.332 3.332 -1.934) 5.094 20.925 ( -0.535 -0.535 -3.964) 4.036 ======================= 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 ( -3.358 -5.771 -1.193) 6.783 3.101 ( 3.358 -5.771 -1.193) 6.783 5.669 ( -10.506 11.193 9.108) 17.849 5.669 ( 10.506 11.193 9.108) 17.849 6.516 ( -2.580 -2.110 0.568) 3.381 6.516 ( 2.580 -2.110 0.568) 3.381 7.378 ( -5.747 1.101 -17.204) 18.172 7.378 ( 5.747 1.101 -17.204) 18.172 8.802 ( -7.493 -7.280 15.555) 18.737 8.802 ( 7.493 -7.280 15.555) 18.737 15.054 ( -18.273 14.236 -0.898) 23.181 15.054 ( 18.273 14.236 -0.898) 23.181 16.377 ( -1.830 1.187 7.272) 7.592 16.377 ( 1.830 1.187 7.272) 7.592 16.916 ( -17.167 -19.894 -2.223) 26.370 16.916 ( 17.167 -19.894 -2.223) 26.370 20.893 ( -2.296 1.222 -2.955) 3.937 20.893 ( 2.296 1.222 -2.955) 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| 3.037 ( 0.000 0.000 -1.476) 1.476 3.037 ( 0.000 0.000 -1.476) 1.476 5.792 ( 0.000 0.000 12.222) 12.222 5.792 ( 0.000 0.000 12.222) 12.222 6.492 ( 0.000 0.000 -1.233) 1.233 6.492 ( 0.000 0.000 -1.233) 1.233 7.394 ( 0.000 0.000 -18.951) 18.951 7.394 ( 0.000 0.000 -18.951) 18.951 8.718 ( 0.000 0.000 16.302) 16.302 8.718 ( 0.000 0.000 16.302) 16.302 15.232 ( 0.000 0.000 -0.383) 0.383 15.232 ( 0.000 0.000 -0.383) 0.383 16.380 ( 0.000 0.000 7.574) 7.574 16.380 ( 0.000 0.000 7.574) 7.574 16.688 ( 0.000 0.000 -3.193) 3.193 16.688 ( 0.000 0.000 -3.193) 3.193 20.906 ( 0.000 0.000 -2.938) 2.938 20.906 ( 0.000 0.000 -2.938) 2.938 ======================= 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 5.393 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 -32.656) 32.656 7.546 ( 0.000 0.000 32.656) 32.656 8.620 ( 0.000 0.000 -10.241) 10.241 8.620 ( 0.000 0.000 10.241) 10.241 16.244 ( 0.000 -0.000 0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 -14.112) 14.112 17.617 ( 0.000 0.000 14.112) 14.112 20.371 ( 0.000 0.000 -16.674) 16.674 20.371 ( 0.000 0.000 16.674) 16.674 ======================= 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| 3.822 ( -1.435 0.000 -0.550) 1.537 3.822 ( -1.435 0.000 0.550) 1.537 5.293 ( -8.983 0.000 -0.089) 8.983 5.293 ( -8.983 0.000 0.089) 8.983 7.200 ( -4.564 0.000 -0.616) 4.605 7.200 ( -4.564 0.000 0.616) 4.605 7.530 ( -1.747 0.000 -30.231) 30.281 7.530 ( -1.747 0.000 30.231) 30.281 8.718 ( 8.832 0.000 -9.067) 12.657 8.718 ( 8.832 0.000 9.067) 12.657 16.167 ( -17.546 0.000 -0.059) 17.546 16.167 ( -17.546 0.000 0.059) 17.546 16.335 ( -15.519 0.000 -0.019) 15.519 16.335 ( -15.519 0.000 0.019) 15.519 17.929 ( 20.435 0.000 -7.694) 21.835 17.929 ( 20.435 0.000 7.694) 21.835 20.380 ( 0.936 0.000 -16.448) 16.475 20.380 ( 0.936 0.000 16.448) 16.475 ======================= 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 ( -3.408 0.000 -3.121) 4.621 3.773 ( -3.408 0.000 3.121) 4.621 5.056 ( -12.487 0.000 -0.917) 12.521 5.056 ( -12.487 0.000 0.917) 12.521 7.084 ( -6.076 0.000 -0.749) 6.122 7.084 ( -6.076 0.000 0.749) 6.122 7.465 ( -4.486 0.000 -25.761) 26.149 7.465 ( -4.486 0.000 25.761) 26.149 8.954 ( 12.713 0.000 -7.269) 14.645 8.954 ( 12.713 0.000 7.269) 14.645 15.510 ( -34.033 0.000 -0.028) 34.033 15.510 ( -34.033 0.000 0.028) 34.033 16.259 ( -0.761 0.000 -0.008) 0.762 16.259 ( -0.761 0.000 0.008) 0.762 18.294 ( 13.296 0.000 -7.634) 15.332 18.294 ( 13.296 0.000 7.634) 15.332 20.417 ( 2.677 0.000 -14.968) 15.206 20.417 ( 2.677 0.000 14.968) 15.206 ======================= 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 ( -5.334 0.000 -6.005) 8.032 3.679 ( -5.334 0.000 6.005) 8.032 4.812 ( -9.998 0.000 -2.843) 10.395 4.812 ( -9.998 0.000 2.843) 10.395 6.963 ( -5.072 0.000 -0.001) 5.072 6.963 ( -5.072 0.000 0.001) 5.072 7.351 ( -6.050 0.000 -20.402) 21.280 7.351 ( -6.050 0.000 20.402) 21.280 9.214 ( 11.364 0.000 -5.316) 12.546 9.214 ( 11.364 0.000 5.316) 12.546 14.856 ( -27.286 0.000 -0.008) 27.286 14.856 ( -27.286 0.000 0.008) 27.286 16.250 ( -0.129 0.000 -0.043) 0.136 16.250 ( -0.129 0.000 0.043) 0.136 18.480 ( 4.947 0.000 -6.532) 8.193 18.480 ( 4.947 0.000 6.532) 8.193 20.488 ( 3.809 0.000 -11.145) 11.778 20.488 ( 3.809 0.000 11.145) 11.778 ======================= 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| 3.569 ( -4.537 0.000 -5.152) 6.865 3.569 ( -4.537 0.000 5.152) 6.865 4.655 ( -4.865 0.000 -3.054) 5.744 4.655 ( -4.865 0.000 3.054) 5.744 6.883 ( -2.428 0.000 -0.879) 2.583 6.883 ( -2.428 0.000 0.879) 2.583 7.231 ( -4.805 0.000 -12.531) 13.420 7.231 ( -4.805 0.000 12.531) 13.420 9.406 ( 6.543 0.000 -2.864) 7.142 9.406 ( 6.543 0.000 2.864) 7.142 14.405 ( -15.011 0.000 -0.004) 15.011 14.405 ( -15.011 0.000 0.004) 15.011 16.251 ( 0.131 0.000 -0.027) 0.134 16.251 ( 0.131 0.000 0.027) 0.134 18.532 ( 0.739 0.000 -3.660) 3.734 18.532 ( 0.739 0.000 3.660) 3.734 20.560 ( 2.710 0.000 -5.732) 6.341 20.560 ( 2.710 0.000 5.732) 6.341 ======================= 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| 3.517 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.176 ( 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 16.253 ( 0.000 0.000 0.000) 0.000 16.253 ( 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 20.590 ( 0.000 0.000 0.000) 0.000 20.590 ( 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| 3.763 ( -3.426 -3.426 0.000) 4.845 3.849 ( 0.238 0.238 0.000) 0.337 4.995 ( -15.149 -15.149 0.000) 21.424 5.454 ( 2.674 2.674 0.000) 3.782 7.116 ( -5.568 -5.568 0.000) 7.875 7.190 ( -2.617 -2.617 0.000) 3.701 7.472 ( -3.430 -3.430 0.000) 4.851 7.554 ( -0.229 -0.229 -0.000) 0.324 8.666 ( 1.997 1.997 0.000) 2.824 8.910 ( 10.971 10.971 0.000) 15.515 15.610 ( -32.286 -32.286 0.000) 45.660 16.138 ( -4.846 -4.846 0.000) 6.854 16.259 ( 0.723 0.723 0.000) 1.023 16.686 ( -0.827 -0.827 0.000) 1.170 17.480 ( -6.195 -6.195 0.000) 8.761 18.417 ( 18.074 18.074 0.000) 25.560 20.385 ( 1.636 1.636 0.000) 2.314 20.408 ( 1.750 1.750 -0.000) 2.475 ======================= 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 ( -4.615 -5.088 0.000) 6.869 3.825 ( -2.722 1.040 0.000) 2.914 4.705 ( -11.525 -14.525 0.000) 18.542 5.400 ( -7.243 13.771 0.000) 15.559 6.986 ( -6.449 -5.804 0.000) 8.676 7.113 ( -4.315 -0.436 0.000) 4.337 7.377 ( -5.633 -4.576 0.000) 7.258 7.515 ( -3.547 0.980 -0.000) 3.680 8.798 ( 9.927 -5.272 0.000) 11.240 9.147 ( 10.986 8.973 0.000) 14.185 14.963 ( -28.266 -25.673 0.000) 38.185 15.881 ( -23.577 7.575 0.000) 24.764 16.273 ( 0.510 1.430 0.000) 1.518 16.396 ( -12.312 13.842 0.000) 18.525 17.686 ( 16.080 -31.654 0.000) 35.504 18.657 ( 4.976 9.491 0.000) 10.717 20.453 ( 2.581 2.596 0.000) 3.660 20.454 ( 4.742 4.221 -0.000) 6.348 ======================= 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 ( -5.042 -5.698 0.000) 7.608 3.733 ( -5.875 0.750 0.000) 5.923 4.544 ( -3.546 -8.460 0.000) 9.173 5.189 ( -11.943 18.527 0.000) 22.042 6.865 ( -4.655 -5.527 0.000) 7.226 7.018 ( -4.750 1.611 0.000) 5.016 7.252 ( -5.709 -5.370 0.000) 7.838 7.412 ( -5.973 1.790 -0.000) 6.236 9.043 ( 12.438 -8.346 0.000) 14.979 9.347 ( 7.671 4.905 0.000) 9.105 14.468 ( -18.143 -16.343 0.000) 24.418 15.254 ( -31.563 17.182 0.000) 35.937 16.277 ( -1.815 3.588 0.000) 4.021 16.280 ( 0.227 2.066 -0.000) 2.079 17.989 ( 12.204 -28.854 0.000) 31.328 18.656 ( -4.023 0.143 0.000) 4.026 20.517 ( 3.464 2.914 -0.000) 4.527 20.561 ( 4.800 5.989 0.000) 7.675 ======================= 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 ( -2.388 -4.631 0.000) 5.210 3.597 ( -6.461 -0.498 -0.000) 6.480 4.555 ( 4.321 0.392 0.000) 4.338 4.933 ( -11.957 16.415 0.000) 20.308 6.805 ( -0.894 -4.659 0.000) 4.744 6.915 ( -4.865 0.285 0.000) 4.874 7.167 ( -1.898 -3.086 0.000) 3.623 7.281 ( -6.044 1.826 -0.000) 6.314 9.283 ( 9.779 -7.396 0.000) 12.261 9.453 ( 2.198 0.245 0.000) 2.212 14.229 ( -4.258 -5.579 0.000) 7.018 14.662 ( -23.671 13.351 0.000) 27.176 16.266 ( 0.239 1.984 0.000) 1.999 16.282 ( -0.106 2.250 0.000) 2.252 18.202 ( 8.606 -22.306 0.000) 23.909 18.529 ( -7.335 -7.864 0.000) 10.754 20.590 ( 3.259 3.270 -0.000) 4.617 20.635 ( 1.961 5.618 0.000) 5.950 ======================= 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 -2.501 0.000) 3.759 3.493 ( 2.806 -2.501 0.000) 3.759 4.705 ( -9.440 9.489 0.000) 13.385 4.705 ( 9.440 9.489 0.000) 13.385 6.828 ( -2.984 -2.831 0.000) 4.113 6.828 ( 2.984 -2.831 0.000) 4.113 7.180 ( -3.070 0.383 0.000) 3.094 7.180 ( 3.070 0.383 0.000) 3.094 9.432 ( -4.186 -4.125 0.000) 5.877 9.432 ( 4.186 -4.125 0.000) 5.877 14.297 ( -10.622 4.936 0.000) 11.713 14.297 ( 10.622 4.936 0.000) 11.713 16.275 ( -0.475 2.057 0.000) 2.111 16.275 ( 0.475 2.057 0.000) 2.111 18.370 ( -7.709 -15.140 0.000) 16.990 18.370 ( 7.709 -15.140 0.000) 16.990 20.641 ( -1.274 4.291 0.000) 4.476 20.641 ( 1.274 4.291 0.000) 4.476 ======================= 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 ( -5.831 -5.831 0.000) 8.246 3.807 ( -2.958 -2.958 0.000) 4.183 4.487 ( -5.606 -5.606 0.000) 7.929 5.586 ( 3.308 3.308 0.000) 4.678 6.855 ( -6.268 -6.268 0.000) 8.865 7.082 ( -1.934 -1.934 0.000) 2.735 7.268 ( -6.142 -6.142 0.000) 8.687 7.501 ( -2.293 -2.293 -0.000) 3.243 8.762 ( 2.262 2.262 0.000) 3.199 9.314 ( 6.651 6.651 0.000) 9.406 14.486 ( -18.899 -18.899 0.000) 26.727 15.869 ( -7.465 -7.465 0.000) 10.557 16.304 ( 1.376 1.376 0.000) 1.946 16.650 ( -0.732 -0.732 0.000) 1.035 17.148 ( -8.949 -8.949 0.000) 12.656 18.700 ( -4.432 -4.432 0.000) 6.267 20.515 ( 3.301 3.301 0.000) 4.669 20.579 ( 6.843 6.843 0.000) 9.678 ======================= 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 ( -5.159 -6.675 0.000) 8.436 3.701 ( -6.930 -3.973 0.000) 7.988 4.484 ( 5.177 3.091 0.000) 6.030 5.538 ( -7.360 13.589 0.000) 15.454 6.741 ( -4.185 -5.973 0.000) 7.293 7.036 ( -3.816 0.321 0.000) 3.829 7.131 ( -5.078 -6.065 0.000) 7.910 7.422 ( -5.025 -0.865 -0.000) 5.099 8.889 ( 9.221 -5.604 0.000) 10.791 9.414 ( 2.649 1.373 0.000) 2.984 14.204 ( -7.420 -8.188 0.000) 11.050 15.530 ( -24.825 8.189 0.000) 26.141 16.327 ( 0.832 2.237 0.000) 2.387 16.419 ( -9.007 9.991 0.000) 13.452 17.334 ( 15.326 -31.891 0.000) 35.383 18.520 ( -11.732 -12.004 0.000) 16.785 20.590 ( 3.816 3.813 -0.000) 5.394 20.705 ( 4.634 6.842 0.000) 8.264 ======================= 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 ( -1.343 -6.802 0.000) 6.934 3.537 ( -7.919 -5.213 0.000) 9.481 4.682 ( 13.002 11.611 0.000) 17.432 5.310 ( -13.715 18.516 0.000) 23.042 6.695 ( 0.011 -5.602 0.000) 5.602 6.888 ( -8.130 -3.067 0.000) 8.689 7.115 ( 2.026 -1.456 0.000) 2.495 7.303 ( -5.958 0.220 0.000) 5.962 9.109 ( 10.801 -8.762 0.000) 13.908 9.417 ( -2.493 -3.671 0.000) 4.437 14.190 ( 6.137 2.143 0.000) 6.500 14.951 ( -27.432 13.929 0.000) 30.766 16.333 ( -0.983 4.254 0.000) 4.366 16.337 ( 0.093 2.824 -0.000) 2.826 17.649 ( 14.476 -29.161 0.000) 32.556 18.243 ( -14.043 -18.291 0.000) 23.060 20.672 ( 3.824 4.097 -0.000) 5.604 20.761 ( 0.687 5.714 0.000) 5.755 ======================= 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 -6.244 0.000) 7.604 3.402 ( 4.340 -6.244 0.000) 7.604 4.993 ( -15.769 17.421 0.000) 23.498 4.993 ( 15.769 17.421 0.000) 23.498 6.746 ( -4.856 -4.818 0.000) 6.841 6.746 ( 4.856 -4.818 0.000) 6.841 7.188 ( -4.714 0.275 0.000) 4.722 7.188 ( 4.714 0.275 0.000) 4.722 9.309 ( -7.679 -7.500 0.000) 10.734 9.309 ( 7.679 -7.500 0.000) 10.734 14.455 ( -18.840 10.242 0.000) 21.444 14.455 ( 18.840 10.242 0.000) 21.444 16.332 ( -0.406 3.179 0.000) 3.205 16.332 ( 0.406 3.179 0.000) 3.205 17.947 ( -14.123 -24.063 0.000) 27.902 17.947 ( 14.123 -24.063 0.000) 27.902 20.740 ( -2.425 4.650 0.000) 5.245 20.740 ( 2.425 4.650 0.000) 5.245 ======================= 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 ( -6.010 -6.010 0.000) 8.500 3.571 ( -8.070 -8.070 0.000) 11.413 4.666 ( 13.665 13.665 0.000) 19.326 5.717 ( 2.981 2.981 0.000) 4.215 6.631 ( -4.166 -4.166 0.000) 5.892 6.974 ( -7.674 -7.674 0.000) 10.853 7.063 ( 1.045 1.045 0.000) 1.478 7.377 ( -3.383 -3.383 0.000) 4.784 8.839 ( 1.319 1.319 0.000) 1.865 9.401 ( -2.633 -2.633 0.000) 3.723 14.146 ( 2.885 2.885 0.000) 4.081 15.556 ( -7.022 -7.022 0.000) 9.931 16.369 ( 1.628 1.628 0.000) 2.302 16.634 ( 0.023 0.023 0.000) 0.033 16.789 ( -7.622 -7.622 0.000) 10.779 18.198 ( -17.770 -17.770 0.000) 25.131 20.671 ( 3.896 3.896 0.000) 5.510 20.819 ( 3.625 3.625 0.000) 5.126 ======================= 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 ( -1.843 -7.211 0.000) 7.442 3.388 ( -8.606 -8.592 0.000) 12.161 5.017 ( 18.629 19.292 0.000) 26.818 5.660 ( -8.143 13.808 0.000) 16.030 6.583 ( -0.087 -4.754 0.000) 4.755 6.792 ( -8.894 -5.777 0.000) 10.606 7.109 ( 3.173 0.696 0.000) 3.249 7.289 ( -4.704 -1.522 0.000) 4.944 8.942 ( 7.849 -6.426 0.000) 10.144 9.303 ( -6.684 -7.061 0.000) 9.723 14.327 ( 14.208 10.945 0.000) 17.935 15.221 ( -22.818 10.702 0.000) 25.203 16.393 ( 0.636 2.321 0.000) 2.407 16.439 ( -5.048 5.849 0.000) 7.726 17.040 ( 16.506 -27.303 0.000) 31.905 17.804 ( -19.304 -22.765 0.000) 29.848 20.752 ( 3.721 3.460 0.000) 5.081 20.854 ( -0.158 2.922 0.000) 2.926 ======================= 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| 3.244 ( -4.405 -8.232 0.000) 9.336 3.244 ( 4.405 -8.232 0.000) 9.336 5.396 ( -16.376 19.876 0.000) 25.754 5.396 ( 16.376 19.876 0.000) 25.754 6.636 ( -5.279 -5.396 0.000) 7.549 6.636 ( 5.279 -5.396 0.000) 7.549 7.190 ( -4.474 -0.039 0.000) 4.474 7.190 ( 4.474 -0.039 0.000) 4.474 9.131 ( -9.296 -9.043 0.000) 12.969 9.131 ( 9.296 -9.043 0.000) 12.969 14.721 ( -22.660 14.819 0.000) 27.076 14.721 ( 22.660 14.819 0.000) 27.076 16.399 ( -0.314 2.976 0.000) 2.992 16.399 ( 0.314 2.976 0.000) 2.992 17.407 ( -18.404 -26.433 0.000) 32.208 17.407 ( 18.404 -26.433 0.000) 32.208 20.821 ( -2.687 2.943 0.000) 3.985 20.821 ( 2.687 2.943 0.000) 3.985 ======================= 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 ( -3.619 -3.619 0.000) 5.119 3.206 ( -7.952 -7.952 0.000) 11.246 5.439 ( 19.595 19.595 0.000) 27.711 5.846 ( 3.168 3.168 0.000) 4.480 6.511 ( -1.638 -1.638 0.000) 2.316 6.655 ( -6.951 -6.951 0.000) 9.830 7.138 ( 1.991 1.991 0.000) 2.816 7.244 ( -2.573 -2.573 0.000) 3.638 8.872 ( 0.362 0.362 0.000) 0.512 9.131 ( -8.900 -8.900 0.000) 12.586 14.638 ( 18.153 18.153 0.000) 25.673 15.316 ( -4.115 -4.115 0.000) 5.819 16.429 ( 1.132 1.132 0.000) 1.601 16.540 ( -4.063 -4.063 0.000) 5.746 16.646 ( 0.395 0.395 0.000) 0.558 17.322 ( -22.543 -22.543 0.000) 31.880 20.817 ( 2.709 2.709 0.000) 3.832 20.884 ( 0.064 0.064 0.000) 0.090 ======================= 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 ( -2.818 -6.014 0.000) 6.642 3.087 ( 2.818 -6.014 0.000) 6.642 5.771 ( -10.508 14.449 0.000) 17.866 5.771 ( 10.508 14.449 0.000) 17.866 6.532 ( -3.849 -4.277 0.000) 5.754 6.532 ( 3.849 -4.277 0.000) 5.754 7.188 ( -2.655 -0.134 0.000) 2.658 7.188 ( 2.655 -0.134 0.000) 2.658 8.956 ( -7.006 -6.831 0.000) 9.785 8.956 ( 7.006 -6.831 0.000) 9.785 15.045 ( -18.936 14.577 0.000) 23.897 15.045 ( 18.936 14.577 0.000) 23.897 16.448 ( -1.327 1.392 0.000) 1.923 16.448 ( 1.327 1.392 0.000) 1.923 16.894 ( -17.353 -20.579 0.000) 26.919 16.894 ( 17.353 -20.579 0.000) 26.919 20.864 ( -1.751 1.231 0.000) 2.140 20.864 ( 1.751 1.231 0.000) 2.140 ======================= 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 5.936 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 8.878 ( 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 16.454 ( 0.000 0.000 0.000) 0.000 16.454 ( 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 1117.632 1117.632 2602.803 -0.000 -0.000 0.000 3/28800 20.0 1559.901 1559.901 1796.268 -0.000 -0.000 0.000 3/28800 30.0 854.620 854.620 875.581 -0.000 0.000 0.000 3/28800 40.0 496.554 496.554 531.787 -0.000 0.000 0.000 3/28800 50.0 334.373 334.373 368.446 -0.000 0.000 0.000 3/28800 60.0 250.710 250.710 284.818 -0.000 0.000 0.000 3/28800 70.0 201.063 201.063 237.344 -0.000 0.000 0.000 3/28800 80.0 168.226 168.226 206.748 -0.000 0.000 0.000 3/28800 90.0 144.694 144.694 184.594 -0.000 0.000 0.000 3/28800 100.0 126.815 126.815 167.107 -0.000 0.000 0.000 3/28800 110.0 112.647 112.647 152.533 -0.000 0.000 0.000 3/28800 120.0 101.081 101.081 140.010 -0.000 0.000 0.000 3/28800 130.0 91.438 91.438 129.072 -0.000 0.000 0.000 3/28800 140.0 83.277 83.277 119.437 -0.000 0.000 0.000 3/28800 150.0 76.291 76.291 110.906 -0.000 0.000 0.000 3/28800 160.0 70.258 70.258 103.328 -0.000 0.000 0.000 3/28800 170.0 65.012 65.012 96.578 -0.000 0.000 0.000 3/28800 180.0 60.420 60.420 90.548 -0.000 0.000 0.000 3/28800 190.0 56.378 56.378 85.148 -0.000 0.000 0.000 3/28800 200.0 52.803 52.803 80.297 -0.000 0.000 0.000 3/28800 210.0 49.624 49.624 75.926 -0.000 0.000 0.000 3/28800 220.0 46.785 46.785 71.976 -0.000 0.000 0.000 3/28800 230.0 44.239 44.239 68.394 -0.000 0.000 0.000 3/28800 240.0 41.945 41.945 65.137 -0.000 0.000 0.000 3/28800 250.0 39.870 39.870 62.165 -0.000 0.000 0.000 3/28800 260.0 37.986 37.986 59.445 -0.000 0.000 0.000 3/28800 270.0 36.269 36.269 56.948 -0.000 0.000 0.000 3/28800 280.0 34.699 34.699 54.650 -0.000 0.000 0.000 3/28800 290.0 33.259 33.259 52.529 -0.000 0.000 0.000 3/28800 300.0 31.934 31.934 50.566 -0.000 0.000 0.000 3/28800 310.0 30.710 30.710 48.744 -0.000 0.000 0.000 3/28800 320.0 29.578 29.578 47.050 -0.000 0.000 0.000 3/28800 330.0 28.527 28.527 45.471 -0.000 0.000 0.000 3/28800 340.0 27.550 27.550 43.995 -0.000 0.000 0.000 3/28800 350.0 26.638 26.638 42.613 -0.000 0.000 0.000 3/28800 360.0 25.786 25.786 41.317 -0.000 0.000 0.000 3/28800 370.0 24.988 24.988 40.098 -0.000 0.000 0.000 3/28800 380.0 24.239 24.239 38.951 -0.000 0.000 0.000 3/28800 390.0 23.534 23.534 37.869 -0.000 0.000 0.000 3/28800 400.0 22.871 22.871 36.846 -0.000 0.000 0.000 3/28800 410.0 22.244 22.244 35.878 -0.000 0.000 0.000 3/28800 420.0 21.652 21.652 34.961 -0.000 0.000 0.000 3/28800 430.0 21.092 21.092 34.091 -0.000 0.000 0.000 3/28800 440.0 20.561 20.561 33.264 -0.000 0.000 0.000 3/28800 450.0 20.056 20.056 32.477 -0.000 0.000 0.000 3/28800 460.0 19.576 19.576 31.728 -0.000 0.000 0.000 3/28800 470.0 19.120 19.120 31.013 -0.000 0.000 0.000 3/28800 480.0 18.685 18.685 30.330 -0.000 0.000 0.000 3/28800 490.0 18.269 18.269 29.677 -0.000 0.000 0.000 3/28800 500.0 17.873 17.873 29.053 -0.000 0.000 0.000 3/28800 510.0 17.493 17.493 28.455 -0.000 0.000 0.000 3/28800 520.0 17.130 17.130 27.881 -0.000 0.000 0.000 3/28800 530.0 16.782 16.782 27.331 -0.000 0.000 0.000 3/28800 540.0 16.449 16.449 26.803 -0.000 0.000 0.000 3/28800 550.0 16.128 16.128 26.295 -0.000 0.000 0.000 3/28800 560.0 15.821 15.821 25.806 -0.000 0.000 0.000 3/28800 570.0 15.525 15.525 25.336 -0.000 0.000 0.000 3/28800 580.0 15.240 15.240 24.883 -0.000 0.000 0.000 3/28800 590.0 14.966 14.966 24.446 -0.000 0.000 0.000 3/28800 600.0 14.702 14.702 24.024 -0.000 0.000 0.000 3/28800 610.0 14.447 14.447 23.617 -0.000 0.000 0.000 3/28800 620.0 14.201 14.201 23.224 -0.000 0.000 0.000 3/28800 630.0 13.963 13.963 22.845 -0.000 0.000 0.000 3/28800 640.0 13.734 13.734 22.477 -0.000 0.000 0.000 3/28800 650.0 13.512 13.512 22.122 -0.000 0.000 0.000 3/28800 660.0 13.297 13.297 21.777 -0.000 0.000 0.000 3/28800 670.0 13.089 13.089 21.444 -0.000 0.000 0.000 3/28800 680.0 12.888 12.888 21.121 -0.000 0.000 0.000 3/28800 690.0 12.693 12.693 20.807 -0.000 0.000 0.000 3/28800 700.0 12.504 12.504 20.503 -0.000 0.000 0.000 3/28800 710.0 12.321 12.321 20.208 -0.000 0.000 0.000 3/28800 720.0 12.143 12.143 19.921 -0.000 0.000 0.000 3/28800 730.0 11.970 11.970 19.643 -0.000 0.000 0.000 3/28800 740.0 11.802 11.802 19.372 -0.000 0.000 0.000 3/28800 750.0 11.639 11.639 19.109 -0.000 0.000 0.000 3/28800 760.0 11.480 11.480 18.853 -0.000 0.000 0.000 3/28800 770.0 11.326 11.326 18.603 -0.000 0.000 0.000 3/28800 780.0 11.176 11.176 18.361 -0.000 0.000 0.000 3/28800 790.0 11.030 11.030 18.125 -0.000 0.000 0.000 3/28800 800.0 10.888 10.888 17.895 -0.000 0.000 0.000 3/28800 810.0 10.749 10.749 17.670 -0.000 0.000 0.000 3/28800 820.0 10.614 10.614 17.452 -0.000 0.000 0.000 3/28800 830.0 10.483 10.483 17.238 -0.000 0.000 0.000 3/28800 840.0 10.354 10.354 17.031 -0.000 0.000 0.000 3/28800 850.0 10.229 10.229 16.828 -0.000 0.000 0.000 3/28800 860.0 10.107 10.107 16.629 -0.000 0.000 0.000 3/28800 870.0 9.988 9.988 16.436 -0.000 0.000 0.000 3/28800 880.0 9.872 9.872 16.247 -0.000 0.000 0.000 3/28800 890.0 9.758 9.758 16.063 -0.000 0.000 0.000 3/28800 900.0 9.647 9.647 15.882 -0.000 0.000 0.000 3/28800 910.0 9.539 9.539 15.706 -0.000 0.000 0.000 3/28800 920.0 9.433 9.433 15.534 -0.000 0.000 0.000 3/28800 930.0 9.329 9.329 15.365 -0.000 0.000 0.000 3/28800 940.0 9.228 9.228 15.200 -0.000 0.000 0.000 3/28800 950.0 9.128 9.128 15.039 -0.000 0.000 0.000 3/28800 960.0 9.031 9.031 14.881 -0.000 0.000 0.000 3/28800 970.0 8.937 8.937 14.726 -0.000 0.000 0.000 3/28800 980.0 8.844 8.844 14.575 -0.000 0.000 0.000 3/28800 990.0 8.753 8.753 14.426 -0.000 0.000 0.000 3/28800 1000.0 8.663 8.663 14.281 -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 2026-01-07 18:39:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|